smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)COCCN1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328946447 779442721 /nfs/dbraw/zinc/44/27/21/779442721.db2.gz VKKFEBPHYQAAPY-SFHVURJKSA-N 2 1 360.502 1.875 20 30 FDEDMP C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001167529411 781805971 /nfs/dbraw/zinc/80/59/71/781805971.db2.gz LECOIBITEZOQIA-HXUWFJFHSA-N 2 1 359.514 1.884 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098609953 794133018 /nfs/dbraw/zinc/13/30/18/794133018.db2.gz GVLJEESJHXPESN-KZNAEPCWSA-N 2 1 365.518 1.364 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098609953 794133022 /nfs/dbraw/zinc/13/30/22/794133022.db2.gz GVLJEESJHXPESN-KZNAEPCWSA-N 2 1 365.518 1.364 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104873802 794156724 /nfs/dbraw/zinc/15/67/24/794156724.db2.gz GDLMOLYRJMNRBZ-BRWVUGGUSA-N 2 1 352.523 1.093 20 30 FDEDMP C[NH+]1CC[C@@]2(C1)CCCN(CC#CCN1CCC[C@]3(CC[N@H+](C)C3)C1)C2 ZINC000660665570 801007461 /nfs/dbraw/zinc/00/74/61/801007461.db2.gz WODDQRUCDDMFRU-FGZHOGPDSA-N 2 1 358.574 1.825 20 30 FDEDMP C#CCN1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001087456417 810099001 /nfs/dbraw/zinc/09/90/01/810099001.db2.gz VWSJXAKQSDYBDP-HUYLIWGRSA-N 2 1 373.472 1.452 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261738534 810555320 /nfs/dbraw/zinc/55/53/20/810555320.db2.gz MGLOKFRNOFEUFR-FJIDUMEYSA-N 2 1 364.534 1.420 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000515165603 816127306 /nfs/dbraw/zinc/12/73/06/816127306.db2.gz DLZIPDQJQRFVOA-INIZCTEOSA-N 2 1 357.454 1.274 20 30 FDEDMP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798428 820432727 /nfs/dbraw/zinc/43/27/27/820432727.db2.gz ANVNTBAXJYXESZ-PWRODBHTSA-N 2 1 364.493 1.933 20 30 FDEDMP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798428 820432731 /nfs/dbraw/zinc/43/27/31/820432731.db2.gz ANVNTBAXJYXESZ-PWRODBHTSA-N 2 1 364.493 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCCO3)[C@@H]2CC)CC1 ZINC001087840139 822559097 /nfs/dbraw/zinc/55/90/97/822559097.db2.gz JKBXPXMNXVSCPX-SLFFLAALSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncs3)[C@@H]2CC)CC1 ZINC001087840184 822559307 /nfs/dbraw/zinc/55/93/07/822559307.db2.gz LIORKKMEHLOJQH-ZWKOTPCHSA-N 2 1 360.527 1.957 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)n(C)n3)[C@@H]2CC)CC1 ZINC001087840461 822559603 /nfs/dbraw/zinc/55/96/03/822559603.db2.gz YHAQDPMEWRAKLF-VQTJNVASSA-N 2 1 371.529 1.543 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)n(C)n3)[C@@H]2CC)CC1 ZINC001087840461 822559609 /nfs/dbraw/zinc/55/96/09/822559609.db2.gz YHAQDPMEWRAKLF-VQTJNVASSA-N 2 1 371.529 1.543 20 30 FDEDMP C=C(C)C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000262295002 824884669 /nfs/dbraw/zinc/88/46/69/824884669.db2.gz MEFFMFSCUJQEKF-FUHWJXTLSA-N 2 1 361.534 1.545 20 30 FDEDMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000329933878 825551409 /nfs/dbraw/zinc/55/14/09/825551409.db2.gz BTKAHFBEWSLNCB-SFHVURJKSA-N 2 1 360.502 1.563 20 30 FDEDMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330310794 825892642 /nfs/dbraw/zinc/89/26/42/825892642.db2.gz NNFRAOCZLYTAQX-QRQLOZEOSA-N 2 1 366.550 1.988 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199453 827429771 /nfs/dbraw/zinc/42/97/71/827429771.db2.gz OJTBFLLHPQENNB-AQNXPRMDSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199453 827429773 /nfs/dbraw/zinc/42/97/73/827429773.db2.gz OJTBFLLHPQENNB-AQNXPRMDSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199453 827429780 /nfs/dbraw/zinc/42/97/80/827429780.db2.gz OJTBFLLHPQENNB-AQNXPRMDSA-N 2 1 352.482 1.790 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760561057 842388759 /nfs/dbraw/zinc/38/87/59/842388759.db2.gz LSVFAGVQJGCBGB-UXHICEINSA-N 2 1 355.482 1.491 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760561057 842388771 /nfs/dbraw/zinc/38/87/71/842388771.db2.gz LSVFAGVQJGCBGB-UXHICEINSA-N 2 1 355.482 1.491 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000760561057 842388784 /nfs/dbraw/zinc/38/87/84/842388784.db2.gz LSVFAGVQJGCBGB-UXHICEINSA-N 2 1 355.482 1.491 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000760561057 842388794 /nfs/dbraw/zinc/38/87/94/842388794.db2.gz LSVFAGVQJGCBGB-UXHICEINSA-N 2 1 355.482 1.491 20 30 FDEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105655782 842479302 /nfs/dbraw/zinc/47/93/02/842479302.db2.gz KXQUCGNXRMYINP-VGUOSERISA-N 2 1 363.546 1.564 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOC4CCC4)C[C@H]32)CC1 ZINC001076604391 848552432 /nfs/dbraw/zinc/55/24/32/848552432.db2.gz CDXXOZKLGZGYNV-AZUAARDMSA-N 2 1 359.514 1.433 20 30 FDEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077131483 849855725 /nfs/dbraw/zinc/85/57/25/849855725.db2.gz CWGVNAPGPJODAX-XUVXKRRUSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077131483 849855740 /nfs/dbraw/zinc/85/57/40/849855740.db2.gz CWGVNAPGPJODAX-XUVXKRRUSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077131483 849855764 /nfs/dbraw/zinc/85/57/64/849855764.db2.gz CWGVNAPGPJODAX-XUVXKRRUSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077131483 849855776 /nfs/dbraw/zinc/85/57/76/849855776.db2.gz CWGVNAPGPJODAX-XUVXKRRUSA-N 2 1 370.497 1.482 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000186878787 881535650 /nfs/dbraw/zinc/53/56/50/881535650.db2.gz OFXBTYUIQJTUNR-MRXNPFEDSA-N 2 1 365.522 1.942 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001105974250 864296656 /nfs/dbraw/zinc/29/66/56/864296656.db2.gz SLZPZFFOJOFSQZ-MISYRCLQSA-N 2 1 355.482 1.053 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001105974250 864296664 /nfs/dbraw/zinc/29/66/64/864296664.db2.gz SLZPZFFOJOFSQZ-MISYRCLQSA-N 2 1 355.482 1.053 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](OC)C3CCC3)[C@@H]2C)CC1 ZINC001089059159 866381465 /nfs/dbraw/zinc/38/14/65/866381465.db2.gz BMAFCJIXJFGDTJ-UXPWSPDFSA-N 2 1 361.530 1.726 20 30 FDEDMP C#CCN(C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000922201237 873696036 /nfs/dbraw/zinc/69/60/36/873696036.db2.gz JMNRJTSGZIRTPN-KRWDZBQOSA-N 2 1 350.507 1.226 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106336623 874814945 /nfs/dbraw/zinc/81/49/45/874814945.db2.gz XDUJUUORKJNCOO-BZUAXINKSA-N 2 1 352.523 1.092 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830789 883757749 /nfs/dbraw/zinc/75/77/49/883757749.db2.gz YDLYDJPBMRQFEY-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830789 883757759 /nfs/dbraw/zinc/75/77/59/883757759.db2.gz YDLYDJPBMRQFEY-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830789 883757767 /nfs/dbraw/zinc/75/77/67/883757767.db2.gz YDLYDJPBMRQFEY-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830789 883757778 /nfs/dbraw/zinc/75/77/78/883757778.db2.gz YDLYDJPBMRQFEY-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129128377 885826136 /nfs/dbraw/zinc/82/61/36/885826136.db2.gz VLGSVTNUOJSPNU-MSOLQXFVSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129128377 885826146 /nfs/dbraw/zinc/82/61/46/885826146.db2.gz VLGSVTNUOJSPNU-MSOLQXFVSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129128377 885826156 /nfs/dbraw/zinc/82/61/56/885826156.db2.gz VLGSVTNUOJSPNU-MSOLQXFVSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129128377 885826166 /nfs/dbraw/zinc/82/61/66/885826166.db2.gz VLGSVTNUOJSPNU-MSOLQXFVSA-N 2 1 360.506 1.460 20 30 FDEDMP C#CCN(C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000923356438 889000421 /nfs/dbraw/zinc/00/04/21/889000421.db2.gz RTZOLLOLFUNIKX-HXUWFJFHSA-N 2 1 354.498 2.000 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000923585594 890014768 /nfs/dbraw/zinc/01/47/68/890014768.db2.gz LOGONDYCIMXRBJ-NRFANRHFSA-N 2 1 369.509 1.718 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000923585594 890014780 /nfs/dbraw/zinc/01/47/80/890014780.db2.gz LOGONDYCIMXRBJ-NRFANRHFSA-N 2 1 369.509 1.718 20 30 FDEDMP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1C#N ZINC001002852394 894640475 /nfs/dbraw/zinc/64/04/75/894640475.db2.gz PHTVMZAJTHENIJ-DNVCBOLYSA-N 2 1 370.497 1.988 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212428364 896911379 /nfs/dbraw/zinc/91/13/79/896911379.db2.gz YGBJZNHCTDXGHG-VAMGGRTRSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212428364 896911380 /nfs/dbraw/zinc/91/13/80/896911380.db2.gz YGBJZNHCTDXGHG-VAMGGRTRSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212428364 896911393 /nfs/dbraw/zinc/91/13/93/896911393.db2.gz YGBJZNHCTDXGHG-VAMGGRTRSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212428364 896911395 /nfs/dbraw/zinc/91/13/95/896911395.db2.gz YGBJZNHCTDXGHG-VAMGGRTRSA-N 2 1 370.497 1.748 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706562 897758752 /nfs/dbraw/zinc/75/87/52/897758752.db2.gz NDLVDINLXFYMJZ-IXDOHACOSA-N 2 1 352.523 1.236 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]3COC[C@@H]32)CC1 ZINC001079245597 902253522 /nfs/dbraw/zinc/25/35/22/902253522.db2.gz BHPKKGAPWNPQFY-OKZBNKHCSA-N 2 1 368.481 1.333 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079264092 902309601 /nfs/dbraw/zinc/30/96/01/902309601.db2.gz YYGRAYBPNWHMLD-ZWKOTPCHSA-N 2 1 370.497 1.579 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccsc3)C[C@H]2OC)CC1 ZINC001082383232 907376121 /nfs/dbraw/zinc/37/61/21/907376121.db2.gz NKGUEAPXYPWXAA-QZTJIDSGSA-N 2 1 361.511 1.409 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccsc3)C[C@H]2OC)CC1 ZINC001082383232 907376145 /nfs/dbraw/zinc/37/61/45/907376145.db2.gz NKGUEAPXYPWXAA-QZTJIDSGSA-N 2 1 361.511 1.409 20 30 FDEDMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082742037 909942963 /nfs/dbraw/zinc/94/29/63/909942963.db2.gz OHHNTDIALMKBRV-QMTMVMCOSA-N 2 1 358.461 1.976 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1C#N ZINC001082920141 910891314 /nfs/dbraw/zinc/89/13/14/910891314.db2.gz RPWMBIWWDADTSH-UWWQBHOKSA-N 2 1 356.470 1.455 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001084830388 917507245 /nfs/dbraw/zinc/50/72/45/917507245.db2.gz UIHKVPZOCJSAOZ-WSTZPKSXSA-N 2 1 355.457 1.662 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001084830388 917507251 /nfs/dbraw/zinc/50/72/51/917507251.db2.gz UIHKVPZOCJSAOZ-WSTZPKSXSA-N 2 1 355.457 1.662 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001084830388 917507257 /nfs/dbraw/zinc/50/72/57/917507257.db2.gz UIHKVPZOCJSAOZ-WSTZPKSXSA-N 2 1 355.457 1.662 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001084830388 917507265 /nfs/dbraw/zinc/50/72/65/917507265.db2.gz UIHKVPZOCJSAOZ-WSTZPKSXSA-N 2 1 355.457 1.662 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092693 920804612 /nfs/dbraw/zinc/80/46/12/920804612.db2.gz MLDHDYYUEAQSHN-KFWWJZLASA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092693 920804629 /nfs/dbraw/zinc/80/46/29/920804629.db2.gz MLDHDYYUEAQSHN-KFWWJZLASA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092693 920804650 /nfs/dbraw/zinc/80/46/50/920804650.db2.gz MLDHDYYUEAQSHN-KFWWJZLASA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092693 920804658 /nfs/dbraw/zinc/80/46/58/920804658.db2.gz MLDHDYYUEAQSHN-KFWWJZLASA-N 2 1 356.308 1.770 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@H](CC)OC)[C@H]3C2)CC1 ZINC001085100523 920914602 /nfs/dbraw/zinc/91/46/02/920914602.db2.gz KBLAERIOELEFLO-HOJAQTOUSA-N 2 1 361.530 1.679 20 30 FDEDMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000103461850 928961983 /nfs/dbraw/zinc/96/19/83/928961983.db2.gz QRWXRMXJMJVVBJ-UHFFFAOYSA-N 2 1 369.469 1.554 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646459 930001158 /nfs/dbraw/zinc/00/11/58/930001158.db2.gz XNSRTIIYXWOYOK-FPAYPSAMSA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646459 930001160 /nfs/dbraw/zinc/00/11/60/930001160.db2.gz XNSRTIIYXWOYOK-FPAYPSAMSA-N 2 1 358.486 1.678 20 30 FDEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001170994157 945106740 /nfs/dbraw/zinc/10/67/40/945106740.db2.gz WTVJOQKOPHAPNJ-PZJWPPBQSA-N 2 1 355.482 1.206 20 30 FDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400725 938415709 /nfs/dbraw/zinc/41/57/09/938415709.db2.gz YUAYNJNYBACYEA-KSZLIROESA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400725 938415710 /nfs/dbraw/zinc/41/57/10/938415710.db2.gz YUAYNJNYBACYEA-KSZLIROESA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400725 938415711 /nfs/dbraw/zinc/41/57/11/938415711.db2.gz YUAYNJNYBACYEA-KSZLIROESA-N 2 1 362.522 1.706 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129484699 938439751 /nfs/dbraw/zinc/43/97/51/938439751.db2.gz BQEHHYSMWFUJQK-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129484699 938439753 /nfs/dbraw/zinc/43/97/53/938439753.db2.gz BQEHHYSMWFUJQK-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2c2ccccc2)CC1 ZINC001086625077 938509814 /nfs/dbraw/zinc/50/98/14/938509814.db2.gz JTOKGVZCMHNKPO-LEWJYISDSA-N 2 1 369.509 1.562 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@@H]1n1ccnn1 ZINC001129855972 938528708 /nfs/dbraw/zinc/52/87/08/938528708.db2.gz SSXZTZIEGGAZSG-ZACQAIPSSA-N 2 1 369.473 1.053 20 30 FDEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001130306854 938804589 /nfs/dbraw/zinc/80/45/89/938804589.db2.gz ATHAFQAGJUOHEV-XLIONFOSSA-N 2 1 364.534 1.380 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCC=C)C1 ZINC001130610274 939907475 /nfs/dbraw/zinc/90/74/75/939907475.db2.gz FVLNVMWLXNTPIQ-SXLOBPIMSA-N 2 1 369.513 1.368 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCC=C)C1 ZINC001130610274 939907477 /nfs/dbraw/zinc/90/74/77/939907477.db2.gz FVLNVMWLXNTPIQ-SXLOBPIMSA-N 2 1 369.513 1.368 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001130610361 939908006 /nfs/dbraw/zinc/90/80/06/939908006.db2.gz KFWHHVUZFARNSN-CMKODMSKSA-N 2 1 371.529 1.305 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604463 939915625 /nfs/dbraw/zinc/91/56/25/939915625.db2.gz BDHXOCACBAJUJS-QXAKKESOSA-N 2 1 357.502 1.202 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604499 939915682 /nfs/dbraw/zinc/91/56/82/939915682.db2.gz DKYUICHSKIIRNL-QXAKKESOSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cn(C)cn1 ZINC001130649651 939944872 /nfs/dbraw/zinc/94/48/72/939944872.db2.gz ROSBTRBRRQPOCJ-CMKODMSKSA-N 2 1 371.529 1.449 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cn(C)cn1 ZINC001130698538 939992772 /nfs/dbraw/zinc/99/27/72/939992772.db2.gz MWHMSKULALUQTR-GOEBONIOSA-N 2 1 353.898 1.398 20 30 FDEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCCn2cc[nH+]c2C)CC1 ZINC001131577940 940754974 /nfs/dbraw/zinc/75/49/74/940754974.db2.gz IZHGWVIIHZXBJP-QUCCMNQESA-N 2 1 358.486 1.591 20 30 FDEDMP C=C(Br)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134120799 941572356 /nfs/dbraw/zinc/57/23/56/941572356.db2.gz HQIQHHOLUCITJY-CVEARBPZSA-N 2 1 366.303 1.946 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001086720846 941619983 /nfs/dbraw/zinc/61/99/83/941619983.db2.gz RGKIMMSZWPLXSN-UHOSZYNNSA-N 2 1 370.497 1.562 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001086720846 941619985 /nfs/dbraw/zinc/61/99/85/941619985.db2.gz RGKIMMSZWPLXSN-UHOSZYNNSA-N 2 1 370.497 1.562 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000815860252 941996432 /nfs/dbraw/zinc/99/64/32/941996432.db2.gz CSYYDXZTADQBPB-QGZVFWFLSA-N 2 1 372.469 1.082 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086731912 942004300 /nfs/dbraw/zinc/00/43/00/942004300.db2.gz KBGQNLUZTIYFFL-LXTVHRRPSA-N 2 1 374.323 1.489 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086731912 942004304 /nfs/dbraw/zinc/00/43/04/942004304.db2.gz KBGQNLUZTIYFFL-LXTVHRRPSA-N 2 1 374.323 1.489 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)Cc2csc(SCC[NH+](C)C)n2)CC1 ZINC001136499357 944667800 /nfs/dbraw/zinc/66/78/00/944667800.db2.gz WHULSWHTAQAWRR-UHFFFAOYSA-N 2 1 366.556 1.507 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856584980 971236460 /nfs/dbraw/zinc/23/64/60/971236460.db2.gz WIWXOCJIGMJEPC-OALUTQOASA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856584980 971236471 /nfs/dbraw/zinc/23/64/71/971236471.db2.gz WIWXOCJIGMJEPC-OALUTQOASA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584980 971236483 /nfs/dbraw/zinc/23/64/83/971236483.db2.gz WIWXOCJIGMJEPC-OALUTQOASA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584980 971236493 /nfs/dbraw/zinc/23/64/93/971236493.db2.gz WIWXOCJIGMJEPC-OALUTQOASA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001171071100 946865768 /nfs/dbraw/zinc/86/57/68/946865768.db2.gz PPUYPSKVVRYDFJ-HOTGVXAUSA-N 2 1 372.473 1.793 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001091565461 952090152 /nfs/dbraw/zinc/09/01/52/952090152.db2.gz QJPKACLUODEUNE-SBHAEUEKSA-N 2 1 368.481 1.169 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001091565461 952090158 /nfs/dbraw/zinc/09/01/58/952090158.db2.gz QJPKACLUODEUNE-SBHAEUEKSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001091565461 952090167 /nfs/dbraw/zinc/09/01/67/952090167.db2.gz QJPKACLUODEUNE-SBHAEUEKSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001091565461 952090171 /nfs/dbraw/zinc/09/01/71/952090171.db2.gz QJPKACLUODEUNE-SBHAEUEKSA-N 2 1 368.481 1.169 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735138 952754263 /nfs/dbraw/zinc/75/42/63/952754263.db2.gz LOQGGPOGRMGQLT-LMNJBCLMSA-N 2 1 361.530 1.986 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735138 952754266 /nfs/dbraw/zinc/75/42/66/952754266.db2.gz LOQGGPOGRMGQLT-LMNJBCLMSA-N 2 1 361.530 1.986 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735138 952754272 /nfs/dbraw/zinc/75/42/72/952754272.db2.gz LOQGGPOGRMGQLT-LMNJBCLMSA-N 2 1 361.530 1.986 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001086874535 952924745 /nfs/dbraw/zinc/92/47/45/952924745.db2.gz HWZRNAKQTRHCLS-JENIJYKNSA-N 2 1 370.497 1.893 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092087693 954242076 /nfs/dbraw/zinc/24/20/76/954242076.db2.gz KMLDRKHYHJBSDZ-QUCCMNQESA-N 2 1 359.518 1.805 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)C1 ZINC001092272287 954654116 /nfs/dbraw/zinc/65/41/16/954654116.db2.gz CQGCVIWUDRNNFL-OPYAIIAOSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)C1 ZINC001092272287 954654121 /nfs/dbraw/zinc/65/41/21/954654121.db2.gz CQGCVIWUDRNNFL-OPYAIIAOSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)C1 ZINC001092272287 954654124 /nfs/dbraw/zinc/65/41/24/954654124.db2.gz CQGCVIWUDRNNFL-OPYAIIAOSA-N 2 1 370.472 1.929 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001092274032 954659875 /nfs/dbraw/zinc/65/98/75/954659875.db2.gz ZDFYEOGNLPJRRW-ZVDOUQERSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001092274032 954659879 /nfs/dbraw/zinc/65/98/79/954659879.db2.gz ZDFYEOGNLPJRRW-ZVDOUQERSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001092274032 954659887 /nfs/dbraw/zinc/65/98/87/954659887.db2.gz ZDFYEOGNLPJRRW-ZVDOUQERSA-N 2 1 352.482 1.790 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522046 955315103 /nfs/dbraw/zinc/31/51/03/955315103.db2.gz JWNYQTWAHUFUPB-CKEIUWERSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522046 955315113 /nfs/dbraw/zinc/31/51/13/955315113.db2.gz JWNYQTWAHUFUPB-CKEIUWERSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092522046 955315123 /nfs/dbraw/zinc/31/51/23/955315123.db2.gz JWNYQTWAHUFUPB-CKEIUWERSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092522046 955315135 /nfs/dbraw/zinc/31/51/35/955315135.db2.gz JWNYQTWAHUFUPB-CKEIUWERSA-N 2 1 362.499 1.134 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417237 960409023 /nfs/dbraw/zinc/40/90/23/960409023.db2.gz OLDGFFXBOWGTIF-UYAOXDASSA-N 2 1 357.502 1.442 20 30 FDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC12CCOCC2 ZINC001186402106 964474362 /nfs/dbraw/zinc/47/43/62/964474362.db2.gz FWOZWJFHPSPJPH-BRWVUGGUSA-N 2 1 356.470 1.381 20 30 FDEDMP CCOC(=O)CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852884201 967688241 /nfs/dbraw/zinc/68/82/41/967688241.db2.gz VJORCNVYGHFWSC-SFHVURJKSA-N 2 1 363.502 1.256 20 30 FDEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193902419 969914667 /nfs/dbraw/zinc/91/46/67/969914667.db2.gz RFBLRTNWDOMLAR-GUDVDZBRSA-N 2 1 356.470 1.094 20 30 FDEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193902419 969914669 /nfs/dbraw/zinc/91/46/69/969914669.db2.gz RFBLRTNWDOMLAR-GUDVDZBRSA-N 2 1 356.470 1.094 20 30 FDEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193902419 969914672 /nfs/dbraw/zinc/91/46/72/969914672.db2.gz RFBLRTNWDOMLAR-GUDVDZBRSA-N 2 1 356.470 1.094 20 30 FDEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193902419 969914675 /nfs/dbraw/zinc/91/46/75/969914675.db2.gz RFBLRTNWDOMLAR-GUDVDZBRSA-N 2 1 356.470 1.094 20 30 FDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000863550894 973007651 /nfs/dbraw/zinc/00/76/51/973007651.db2.gz CESOKMFEHPVAOT-OALUTQOASA-N 2 1 359.470 1.531 20 30 FDEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884306597 983070807 /nfs/dbraw/zinc/07/08/07/983070807.db2.gz ISNWAJQVNMHKDY-KYBDOYODSA-N 2 1 352.482 1.859 20 30 FDEDMP C#CCN1CCN(C(=O)C[N@H+](CC)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859995894 983152835 /nfs/dbraw/zinc/15/28/35/983152835.db2.gz XVPPXGSTSBTESL-UHFFFAOYSA-N 2 1 356.514 1.348 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCC=C)CC1 ZINC000886394036 986148364 /nfs/dbraw/zinc/14/83/64/986148364.db2.gz NLXCOSDMZFUWPP-BRSBDYLESA-N 2 1 364.534 1.543 20 30 FDEDMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000366126047 988440225 /nfs/dbraw/zinc/44/02/25/988440225.db2.gz LUJSBHAGLQCBLP-MRXNPFEDSA-N 2 1 355.438 1.052 20 30 FDEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000366126047 988440235 /nfs/dbraw/zinc/44/02/35/988440235.db2.gz LUJSBHAGLQCBLP-MRXNPFEDSA-N 2 1 355.438 1.052 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000370913307 990117042 /nfs/dbraw/zinc/11/70/42/990117042.db2.gz WDSXIKCXXIAEQT-PKOBYXMFSA-N 2 1 357.502 1.264 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000374100964 992610447 /nfs/dbraw/zinc/61/04/47/992610447.db2.gz HOTWGNHPYAJJHW-SFHVURJKSA-N 2 1 362.518 1.040 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000876755566 992877596 /nfs/dbraw/zinc/87/75/96/992877596.db2.gz VGXIQHIBJZIQCH-IBGZPJMESA-N 2 1 368.481 1.506 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(NC(=O)C2CCC2)c1 ZINC000264093328 997401252 /nfs/dbraw/zinc/40/12/52/997401252.db2.gz LLLWIQQKIHBYBN-UHFFFAOYSA-N 2 1 373.501 1.552 20 30 FDEDMP C=C(C)CNC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264095995 997401756 /nfs/dbraw/zinc/40/17/56/997401756.db2.gz MQWBTFYZTBCLNB-UHFFFAOYSA-N 2 1 359.474 1.328 20 30 FDEDMP CC[NH+](CC)Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264148281 997414256 /nfs/dbraw/zinc/41/42/56/997414256.db2.gz YKSJNUWFCRXHJQ-UHFFFAOYSA-N 3 1 361.534 1.655 20 30 FDEDMP CN(C(=O)Cc1ccccc1CC#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000777399351 999061179 /nfs/dbraw/zinc/06/11/79/999061179.db2.gz NOHBJLMWBLXKTC-FQEVSTJZSA-N 2 1 354.498 1.922 20 30 FDEDMP CN(C(=O)Cc1ccccc1CC#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000777399351 999061182 /nfs/dbraw/zinc/06/11/82/999061182.db2.gz NOHBJLMWBLXKTC-FQEVSTJZSA-N 2 1 354.498 1.922 20 30 FDEDMP C#Cc1ccc(NC(=O)CC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000930113455 1002832163 /nfs/dbraw/zinc/83/21/63/1002832163.db2.gz LZLBINQEOCOSPQ-UHFFFAOYSA-N 2 1 356.514 1.954 20 30 FDEDMP C[N@@H+](CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CCCC1 ZINC000089120879 1006011554 /nfs/dbraw/zinc/01/15/54/1006011554.db2.gz ONCINDQHMGSVLQ-INIZCTEOSA-N 2 1 365.522 1.741 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)CC[N@H+]1C ZINC000959963817 1009215206 /nfs/dbraw/zinc/21/52/06/1009215206.db2.gz FNEDUOMQKXNWLT-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC[NH+]1C ZINC000959963817 1009215210 /nfs/dbraw/zinc/21/52/10/1009215210.db2.gz FNEDUOMQKXNWLT-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC[NH+]1C ZINC000959963817 1009215224 /nfs/dbraw/zinc/21/52/24/1009215224.db2.gz FNEDUOMQKXNWLT-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303982249 1009793220 /nfs/dbraw/zinc/79/32/20/1009793220.db2.gz QAHVVQPGLXLSCF-GOSISDBHSA-N 2 1 363.481 1.373 20 30 FDEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835732 1009949186 /nfs/dbraw/zinc/94/91/86/1009949186.db2.gz LRVLMXVQKZWMKS-INIZCTEOSA-N 2 1 350.532 1.488 20 30 FDEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835732 1009949188 /nfs/dbraw/zinc/94/91/88/1009949188.db2.gz LRVLMXVQKZWMKS-INIZCTEOSA-N 2 1 350.532 1.488 20 30 FDEDMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333872844 259388666 /nfs/dbraw/zinc/38/86/66/259388666.db2.gz UWIQQQVGQJHARD-APWZRJJASA-N 2 1 355.486 1.916 20 30 FDEDMP COc1ccccc1OC[C@@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000160764425 524965902 /nfs/dbraw/zinc/96/59/02/524965902.db2.gz RWYOBVBBHCNTAC-INIZCTEOSA-N 2 1 364.490 1.337 20 30 FDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000164707621 525526744 /nfs/dbraw/zinc/52/67/44/525526744.db2.gz YMYOZTZTUNCRGB-GOSISDBHSA-N 2 1 360.527 1.886 20 30 FDEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171932601 526185202 /nfs/dbraw/zinc/18/52/02/526185202.db2.gz NAVWZEWEJUZXSQ-FQEVSTJZSA-N 2 1 369.513 1.989 20 30 FDEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171932601 526185212 /nfs/dbraw/zinc/18/52/12/526185212.db2.gz NAVWZEWEJUZXSQ-FQEVSTJZSA-N 2 1 369.513 1.989 20 30 FDEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292218106 537718207 /nfs/dbraw/zinc/71/82/07/537718207.db2.gz OWTNJFPBZXJAND-IBGZPJMESA-N 2 1 357.502 1.822 20 30 FDEDMP C[N@@H+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000565713667 547452483 /nfs/dbraw/zinc/45/24/83/547452483.db2.gz JFUAOWITKHCHLL-MOPGFXCFSA-N 2 1 357.502 1.503 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000565713667 547452486 /nfs/dbraw/zinc/45/24/86/547452486.db2.gz JFUAOWITKHCHLL-MOPGFXCFSA-N 2 1 357.502 1.503 20 30 FDEDMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439819 552310826 /nfs/dbraw/zinc/31/08/26/552310826.db2.gz VMICMTKUPMEOTF-LJQANCHMSA-N 2 1 357.502 1.461 20 30 FDEDMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599389901 553042999 /nfs/dbraw/zinc/04/29/99/553042999.db2.gz AVNXYDNEQJGHHP-MRXNPFEDSA-N 2 1 360.458 1.284 20 30 FDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600730461 553308523 /nfs/dbraw/zinc/30/85/23/553308523.db2.gz OYZIUFUOPULZBL-GOSISDBHSA-N 2 1 353.507 1.537 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000609166852 554345464 /nfs/dbraw/zinc/34/54/64/554345464.db2.gz GGCLMLDZDYEMDI-IBGZPJMESA-N 2 1 357.502 1.988 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610995520 554592281 /nfs/dbraw/zinc/59/22/81/554592281.db2.gz SEXCHINVRWYLRV-VURPSTOHSA-N 2 1 373.497 1.676 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610995520 554592285 /nfs/dbraw/zinc/59/22/85/554592285.db2.gz SEXCHINVRWYLRV-VURPSTOHSA-N 2 1 373.497 1.676 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000245730593 672461165 /nfs/dbraw/zinc/46/11/65/672461165.db2.gz RTONAEFGOPLSLL-TWMKSMIVSA-N 2 1 350.507 1.029 20 30 FDEDMP C[NH+]=C(NC[C@@H]1COCCO1)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262339731 672773156 /nfs/dbraw/zinc/77/31/56/672773156.db2.gz FZJUAFXAHDBNAX-ZMSDIMECSA-N 2 1 366.531 1.711 20 30 FDEDMP C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262376550 672779097 /nfs/dbraw/zinc/77/90/97/672779097.db2.gz JQSBVJTZYXEEOW-DLBZAZTESA-N 2 1 368.547 1.113 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CS(C)(=O)=O)cc1 ZINC000264076466 672900185 /nfs/dbraw/zinc/90/01/85/672900185.db2.gz FXPKLIRCIXZVHA-MRXNPFEDSA-N 2 1 352.504 1.120 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000267428165 673302971 /nfs/dbraw/zinc/30/29/71/673302971.db2.gz LZYHLHDRIJBQRZ-UHFFFAOYSA-N 2 1 363.893 1.990 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000280633276 675442971 /nfs/dbraw/zinc/44/29/71/675442971.db2.gz TZBPIVCTUYFBCA-XJKSGUPXSA-N 2 1 354.857 1.962 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OCC(F)(F)F ZINC000280887620 675467150 /nfs/dbraw/zinc/46/71/50/675467150.db2.gz BNXSJCZVLZGRBJ-ZDUSSCGKSA-N 2 1 359.396 1.911 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000303885913 676543430 /nfs/dbraw/zinc/54/34/30/676543430.db2.gz NMPGQWNBLVUGJX-OAHLLOKOSA-N 2 1 353.511 1.632 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965235 677531854 /nfs/dbraw/zinc/53/18/54/677531854.db2.gz WZAFFHGRULJRRO-SFNKJDCFSA-N 2 1 350.507 1.520 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965235 677531856 /nfs/dbraw/zinc/53/18/56/677531856.db2.gz WZAFFHGRULJRRO-SFNKJDCFSA-N 2 1 350.507 1.520 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291560 773841784 /nfs/dbraw/zinc/84/17/84/773841784.db2.gz OQPFQDLXGQCKGX-VAMGGRTRSA-N 2 1 363.546 1.973 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2conc2C)C1 ZINC001104305987 774438045 /nfs/dbraw/zinc/43/80/45/774438045.db2.gz DYADKLKWJJEMNO-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2conc2C)C1 ZINC001104305987 774438050 /nfs/dbraw/zinc/43/80/50/774438050.db2.gz DYADKLKWJJEMNO-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001211688207 805940472 /nfs/dbraw/zinc/94/04/72/805940472.db2.gz QUGLKQUCWYLCIF-VQTJNVASSA-N 2 1 355.482 1.316 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@@H+]1C ZINC000978185386 805285333 /nfs/dbraw/zinc/28/53/33/805285333.db2.gz VVLZKXVPEHXYIU-OJRASUONSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@H+]1C ZINC000978185386 805285338 /nfs/dbraw/zinc/28/53/38/805285338.db2.gz VVLZKXVPEHXYIU-OJRASUONSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[NH+]1C ZINC000978185386 805285344 /nfs/dbraw/zinc/28/53/44/805285344.db2.gz VVLZKXVPEHXYIU-OJRASUONSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@H]32)CC[NH+]1C ZINC000978185386 805285353 /nfs/dbraw/zinc/28/53/53/805285353.db2.gz VVLZKXVPEHXYIU-OJRASUONSA-N 2 1 370.472 1.832 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726054 809393956 /nfs/dbraw/zinc/39/39/56/809393956.db2.gz HVPVHLAKZMQJOV-XUVXKRRUSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726054 809393959 /nfs/dbraw/zinc/39/39/59/809393959.db2.gz HVPVHLAKZMQJOV-XUVXKRRUSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CC[N@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087459561 810502917 /nfs/dbraw/zinc/50/29/17/810502917.db2.gz KZKWPOCBRWRFOX-RTBURBONSA-N 2 1 355.457 1.829 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](c2cccc(F)c2)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087459561 810502926 /nfs/dbraw/zinc/50/29/26/810502926.db2.gz KZKWPOCBRWRFOX-RTBURBONSA-N 2 1 355.457 1.829 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001028550376 810621969 /nfs/dbraw/zinc/62/19/69/810621969.db2.gz OPOGRTQMLXQGIF-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001028550376 810621973 /nfs/dbraw/zinc/62/19/73/810621973.db2.gz OPOGRTQMLXQGIF-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001028550376 810621979 /nfs/dbraw/zinc/62/19/79/810621979.db2.gz OPOGRTQMLXQGIF-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261860914 811333743 /nfs/dbraw/zinc/33/37/43/811333743.db2.gz YLRYJELLFNPXHT-DYESRHJHSA-N 2 1 372.513 1.050 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262603080 811506998 /nfs/dbraw/zinc/50/69/98/811506998.db2.gz ZCLMOWXJQNRGPZ-INIZCTEOSA-N 2 1 361.490 1.345 20 30 FDEDMP C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001087476290 818373340 /nfs/dbraw/zinc/37/33/40/818373340.db2.gz DGBHQGDGKJZMCN-QMMLZNLJSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087476290 818373349 /nfs/dbraw/zinc/37/33/49/818373349.db2.gz DGBHQGDGKJZMCN-QMMLZNLJSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001087476290 818373360 /nfs/dbraw/zinc/37/33/60/818373360.db2.gz DGBHQGDGKJZMCN-QMMLZNLJSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001087476290 818373367 /nfs/dbraw/zinc/37/33/67/818373367.db2.gz DGBHQGDGKJZMCN-QMMLZNLJSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001087476290 818373374 /nfs/dbraw/zinc/37/33/74/818373374.db2.gz DGBHQGDGKJZMCN-QMMLZNLJSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccn3)[C@@H]2CC)CC1 ZINC001087840252 822559230 /nfs/dbraw/zinc/55/92/30/822559230.db2.gz ODSGBWORNFPBBW-VQTJNVASSA-N 2 1 354.498 1.896 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908593 823745104 /nfs/dbraw/zinc/74/51/04/823745104.db2.gz HAMWKLJIYIDEED-QLFBSQMISA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908593 823745107 /nfs/dbraw/zinc/74/51/07/823745107.db2.gz HAMWKLJIYIDEED-QLFBSQMISA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908593 823745109 /nfs/dbraw/zinc/74/51/09/823745109.db2.gz HAMWKLJIYIDEED-QLFBSQMISA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908593 823745112 /nfs/dbraw/zinc/74/51/12/823745112.db2.gz HAMWKLJIYIDEED-QLFBSQMISA-N 2 1 356.308 1.770 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ocnc3C)CC[C@@H]2C1 ZINC001087998111 825075277 /nfs/dbraw/zinc/07/52/77/825075277.db2.gz RRZFVIGOQOKRHX-SQNIBIBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ocnc3C)CC[C@@H]2C1 ZINC001087998111 825075282 /nfs/dbraw/zinc/07/52/82/825075282.db2.gz RRZFVIGOQOKRHX-SQNIBIBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ocnc3C)CC[C@@H]2C1 ZINC001087998111 825075290 /nfs/dbraw/zinc/07/52/90/825075290.db2.gz RRZFVIGOQOKRHX-SQNIBIBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ocnc3C)CC[C@@H]2C1 ZINC001087998111 825075296 /nfs/dbraw/zinc/07/52/96/825075296.db2.gz RRZFVIGOQOKRHX-SQNIBIBYSA-N 2 1 356.470 1.361 20 30 FDEDMP O=C(NCc1cccc(-n2ccnc2)c1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000330180061 825707957 /nfs/dbraw/zinc/70/79/57/825707957.db2.gz FSQGWNHKTBXYTM-GOSISDBHSA-N 2 1 369.469 1.940 20 30 FDEDMP C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)CN1CCOCC1 ZINC000330204362 825731675 /nfs/dbraw/zinc/73/16/75/825731675.db2.gz BNRZGFUUPURXED-DLBZAZTESA-N 2 1 368.522 1.054 20 30 FDEDMP C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000330204362 825731685 /nfs/dbraw/zinc/73/16/85/825731685.db2.gz BNRZGFUUPURXED-DLBZAZTESA-N 2 1 368.522 1.054 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001088200039 827433467 /nfs/dbraw/zinc/43/34/67/827433467.db2.gz MVAZRGDMRVHIKG-AQNXPRMDSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001088200039 827433468 /nfs/dbraw/zinc/43/34/68/827433468.db2.gz MVAZRGDMRVHIKG-AQNXPRMDSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001088200039 827433473 /nfs/dbraw/zinc/43/34/73/827433473.db2.gz MVAZRGDMRVHIKG-AQNXPRMDSA-N 2 1 352.482 1.790 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)C1 ZINC001088200320 827434697 /nfs/dbraw/zinc/43/46/97/827434697.db2.gz XZAKOEUNOUEZHM-QRQLOZEOSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)C1 ZINC001088200320 827434702 /nfs/dbraw/zinc/43/47/02/827434702.db2.gz XZAKOEUNOUEZHM-QRQLOZEOSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)C1 ZINC001088200320 827434704 /nfs/dbraw/zinc/43/47/04/827434704.db2.gz XZAKOEUNOUEZHM-QRQLOZEOSA-N 2 1 370.472 1.929 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(C#N)cs1 ZINC000897293489 827766365 /nfs/dbraw/zinc/76/63/65/827766365.db2.gz ZGQWVYLBWNBXDQ-HNNXBMFYSA-N 2 1 364.519 1.572 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000104166698 827839186 /nfs/dbraw/zinc/83/91/86/827839186.db2.gz DLPBTBXDZJPKDI-UXHICEINSA-N 2 1 373.545 1.757 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)COc1ccccc1C#N ZINC000528427446 829399454 /nfs/dbraw/zinc/39/94/54/829399454.db2.gz YXEYJACGXIBBRH-SOAMZJECSA-N 2 1 359.470 1.481 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)COc1ccccc1C#N ZINC000528427446 829399457 /nfs/dbraw/zinc/39/94/57/829399457.db2.gz YXEYJACGXIBBRH-SOAMZJECSA-N 2 1 359.470 1.481 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(NCCc2ccco2)=[NH+]C2CC2)CC1 ZINC000262686703 830153245 /nfs/dbraw/zinc/15/32/45/830153245.db2.gz VDZWNTFRFKUPPC-GOSISDBHSA-N 2 1 373.501 1.169 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076594808 848520126 /nfs/dbraw/zinc/52/01/26/848520126.db2.gz SPSVUMDJBVIEAP-XUVXKRRUSA-N 2 1 368.481 1.312 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076594808 848520136 /nfs/dbraw/zinc/52/01/36/848520136.db2.gz SPSVUMDJBVIEAP-XUVXKRRUSA-N 2 1 368.481 1.312 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076594808 848520148 /nfs/dbraw/zinc/52/01/48/848520148.db2.gz SPSVUMDJBVIEAP-XUVXKRRUSA-N 2 1 368.481 1.312 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076594808 848520154 /nfs/dbraw/zinc/52/01/54/848520154.db2.gz SPSVUMDJBVIEAP-XUVXKRRUSA-N 2 1 368.481 1.312 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC4CC(F)(F)C4)C[C@H]32)CC1 ZINC001076605773 848556742 /nfs/dbraw/zinc/55/67/42/848556742.db2.gz SIHHWSAZGANJRO-ZWKOTPCHSA-N 2 1 365.468 1.910 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669334390 863000644 /nfs/dbraw/zinc/00/06/44/863000644.db2.gz DZZNBQJSJMMRQO-KSZLIROESA-N 2 1 374.533 1.920 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)[C@@H](C)C1 ZINC000669334390 863000660 /nfs/dbraw/zinc/00/06/60/863000660.db2.gz DZZNBQJSJMMRQO-KSZLIROESA-N 2 1 374.533 1.920 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C)C1=O ZINC001088860751 864811311 /nfs/dbraw/zinc/81/13/11/864811311.db2.gz ZURABQARKBPFGC-IXDOHACOSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C)C1=O ZINC001088860751 864811331 /nfs/dbraw/zinc/81/13/31/864811331.db2.gz ZURABQARKBPFGC-IXDOHACOSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C)C1=O ZINC001088860751 864811354 /nfs/dbraw/zinc/81/13/54/864811354.db2.gz ZURABQARKBPFGC-IXDOHACOSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C)C1=O ZINC001088860751 864811368 /nfs/dbraw/zinc/81/13/68/864811368.db2.gz ZURABQARKBPFGC-IXDOHACOSA-N 2 1 362.518 1.084 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3conc3CC)[C@@H]2C)CC1 ZINC001089060006 866390239 /nfs/dbraw/zinc/39/02/39/866390239.db2.gz NEDAHTBXIHXNKE-BEFAXECRSA-N 2 1 358.486 1.661 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3conc3CC)[C@@H]2C)CC1 ZINC001089060006 866390254 /nfs/dbraw/zinc/39/02/54/866390254.db2.gz NEDAHTBXIHXNKE-BEFAXECRSA-N 2 1 358.486 1.661 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCC(C)C)[C@H](C)C1 ZINC001106266411 874260378 /nfs/dbraw/zinc/26/03/78/874260378.db2.gz INLITFBFEJUWJA-AQNXPRMDSA-N 2 1 363.546 1.831 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCC(C)C)[C@H](C)C1 ZINC001106266411 874260392 /nfs/dbraw/zinc/26/03/92/874260392.db2.gz INLITFBFEJUWJA-AQNXPRMDSA-N 2 1 363.546 1.831 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000922264930 877194197 /nfs/dbraw/zinc/19/41/97/877194197.db2.gz YMYXQWWXPOWMBG-IBGZPJMESA-N 2 1 354.498 1.905 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(C#N)ccc2Br)CC1 ZINC000921684126 912873783 /nfs/dbraw/zinc/87/37/83/912873783.db2.gz MAINXITXVXHBSV-UHFFFAOYSA-N 2 1 365.275 1.574 20 30 FDEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077554110 886709746 /nfs/dbraw/zinc/70/97/46/886709746.db2.gz YOELXNUDNJSMCP-XUVXKRRUSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077554110 886709761 /nfs/dbraw/zinc/70/97/61/886709761.db2.gz YOELXNUDNJSMCP-XUVXKRRUSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077554110 886709775 /nfs/dbraw/zinc/70/97/75/886709775.db2.gz YOELXNUDNJSMCP-XUVXKRRUSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077554110 886709788 /nfs/dbraw/zinc/70/97/88/886709788.db2.gz YOELXNUDNJSMCP-XUVXKRRUSA-N 2 1 370.497 1.342 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276780 887736805 /nfs/dbraw/zinc/73/68/05/887736805.db2.gz UWBAIOXIWZTVJV-SJORKVTESA-N 2 1 362.522 1.564 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276780 887736818 /nfs/dbraw/zinc/73/68/18/887736818.db2.gz UWBAIOXIWZTVJV-SJORKVTESA-N 2 1 362.522 1.564 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276780 887736824 /nfs/dbraw/zinc/73/68/24/887736824.db2.gz UWBAIOXIWZTVJV-SJORKVTESA-N 2 1 362.522 1.564 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000921886120 892536780 /nfs/dbraw/zinc/53/67/80/892536780.db2.gz WTRHQVUZPOXUCR-FQEVSTJZSA-N 2 1 370.497 1.150 20 30 FDEDMP CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079147013 901970032 /nfs/dbraw/zinc/97/00/32/901970032.db2.gz RXEUABLURJQIKN-XUVXKRRUSA-N 2 1 355.482 1.035 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079147013 901970043 /nfs/dbraw/zinc/97/00/43/901970043.db2.gz RXEUABLURJQIKN-XUVXKRRUSA-N 2 1 355.482 1.035 20 30 FDEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079147013 901970047 /nfs/dbraw/zinc/97/00/47/901970047.db2.gz RXEUABLURJQIKN-XUVXKRRUSA-N 2 1 355.482 1.035 20 30 FDEDMP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079147013 901970052 /nfs/dbraw/zinc/97/00/52/901970052.db2.gz RXEUABLURJQIKN-XUVXKRRUSA-N 2 1 355.482 1.035 20 30 FDEDMP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001079147013 901970054 /nfs/dbraw/zinc/97/00/54/901970054.db2.gz RXEUABLURJQIKN-XUVXKRRUSA-N 2 1 355.482 1.035 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260568 902297321 /nfs/dbraw/zinc/29/73/21/902297321.db2.gz CFLYJDDMKYGPTC-CEXWTWQISA-N 2 1 361.530 1.986 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC=C)C1 ZINC001079298934 902406266 /nfs/dbraw/zinc/40/62/66/902406266.db2.gz ODAHHKISGTZICL-SXLOBPIMSA-N 2 1 355.457 1.993 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CC=C)C1 ZINC001079298934 902406270 /nfs/dbraw/zinc/40/62/70/902406270.db2.gz ODAHHKISGTZICL-SXLOBPIMSA-N 2 1 355.457 1.993 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001080446281 905448998 /nfs/dbraw/zinc/44/89/98/905448998.db2.gz GNPLJASNXCFYKF-QMTMVMCOSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001080446281 905449005 /nfs/dbraw/zinc/44/90/05/905449005.db2.gz GNPLJASNXCFYKF-QMTMVMCOSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446281 905449011 /nfs/dbraw/zinc/44/90/11/905449011.db2.gz GNPLJASNXCFYKF-QMTMVMCOSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001080446281 905449019 /nfs/dbraw/zinc/44/90/19/905449019.db2.gz GNPLJASNXCFYKF-QMTMVMCOSA-N 2 1 358.461 1.976 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132911 905929196 /nfs/dbraw/zinc/92/91/96/905929196.db2.gz XGIQIPGSYZTVAW-MDZRGWNJSA-N 2 1 355.498 1.981 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132911 905929200 /nfs/dbraw/zinc/92/92/00/905929200.db2.gz XGIQIPGSYZTVAW-MDZRGWNJSA-N 2 1 355.498 1.981 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132911 905929205 /nfs/dbraw/zinc/92/92/05/905929205.db2.gz XGIQIPGSYZTVAW-MDZRGWNJSA-N 2 1 355.498 1.981 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)C[C@H]2C)cc1C#N ZINC001082595881 908932480 /nfs/dbraw/zinc/93/24/80/908932480.db2.gz JPHQHDKUKZIPFF-LZQZEXGQSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001082596137 908934184 /nfs/dbraw/zinc/93/41/84/908934184.db2.gz XEZXDNMPNWSTGT-LZQZEXGQSA-N 2 1 370.497 1.988 20 30 FDEDMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082609249 908990474 /nfs/dbraw/zinc/99/04/74/908990474.db2.gz ZKEIZIKBYJNERJ-AUUYWEPGSA-N 2 1 367.453 1.858 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@H]2C)cc1C#N ZINC001082741805 909941209 /nfs/dbraw/zinc/94/12/09/909941209.db2.gz DFKHXHWUCCUTAX-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000730104549 916136746 /nfs/dbraw/zinc/13/67/46/916136746.db2.gz QLBUZARRAJYNMG-FQEVSTJZSA-N 2 1 354.498 1.413 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000730104549 916136751 /nfs/dbraw/zinc/13/67/51/916136751.db2.gz QLBUZARRAJYNMG-FQEVSTJZSA-N 2 1 354.498 1.413 20 30 FDEDMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084775817 917001449 /nfs/dbraw/zinc/00/14/49/917001449.db2.gz VNTZDXKTYGEICT-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084775817 917001461 /nfs/dbraw/zinc/00/14/61/917001461.db2.gz VNTZDXKTYGEICT-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084775817 917001475 /nfs/dbraw/zinc/00/14/75/917001475.db2.gz VNTZDXKTYGEICT-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084775817 917001482 /nfs/dbraw/zinc/00/14/82/917001482.db2.gz VNTZDXKTYGEICT-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCCCO4)C[C@H]32)CC1 ZINC001084851162 917658757 /nfs/dbraw/zinc/65/87/57/917658757.db2.gz PLKKFLGWWRHGEK-HSALFYBXSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H](C)c4cnccn4)C[C@H]32)CC1 ZINC001084851191 917660506 /nfs/dbraw/zinc/66/05/06/917660506.db2.gz QYYOUOIKCZLSDO-YVWKXTFCSA-N 2 1 367.497 1.416 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)c4cnccn4)C[C@H]32)CC1 ZINC001084851191 917660511 /nfs/dbraw/zinc/66/05/11/917660511.db2.gz QYYOUOIKCZLSDO-YVWKXTFCSA-N 2 1 367.497 1.416 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4nccnc4C)C[C@H]32)CC1 ZINC001084851348 917660792 /nfs/dbraw/zinc/66/07/92/917660792.db2.gz YLOWQQNTGLBNCT-UYAOXDASSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4nccnc4C)C[C@H]32)CC1 ZINC001084851348 917660802 /nfs/dbraw/zinc/66/08/02/917660802.db2.gz YLOWQQNTGLBNCT-UYAOXDASSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nc1 ZINC001085229739 922981969 /nfs/dbraw/zinc/98/19/69/922981969.db2.gz IBAWIQZLMPZSFP-QRVBRYPASA-N 2 1 370.497 1.705 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC)nc1 ZINC001085229739 922981972 /nfs/dbraw/zinc/98/19/72/922981972.db2.gz IBAWIQZLMPZSFP-QRVBRYPASA-N 2 1 370.497 1.705 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nocc2C)CC1 ZINC001085432923 924681321 /nfs/dbraw/zinc/68/13/21/924681321.db2.gz XCSXVTBFDMFVEG-QZTJIDSGSA-N 2 1 358.486 1.845 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@@H]2CCN2Cc2ccc(C#N)cc2)O1 ZINC001085670621 925036518 /nfs/dbraw/zinc/03/65/18/925036518.db2.gz APAODQZRPMDMHE-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651026 930013619 /nfs/dbraw/zinc/01/36/19/930013619.db2.gz FPDJMEBDLXEYLT-SQNIBIBYSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651026 930013621 /nfs/dbraw/zinc/01/36/21/930013621.db2.gz FPDJMEBDLXEYLT-SQNIBIBYSA-N 2 1 374.529 1.250 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672323 930110413 /nfs/dbraw/zinc/11/04/13/930110413.db2.gz BVPNIUDYAMZBPP-BDXSIMOUSA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672323 930110415 /nfs/dbraw/zinc/11/04/15/930110415.db2.gz BVPNIUDYAMZBPP-BDXSIMOUSA-N 2 1 364.534 1.473 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130081609 938662925 /nfs/dbraw/zinc/66/29/25/938662925.db2.gz XJQDPLYRUQRREN-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096666 938680909 /nfs/dbraw/zinc/68/09/09/938680909.db2.gz OWJNOPPMEAOFAQ-KURKYZTESA-N 2 1 362.522 1.706 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCC)C1 ZINC001130610896 939908275 /nfs/dbraw/zinc/90/82/75/939908275.db2.gz UZTIINFZLGEIBD-UHOSZYNNSA-N 2 1 357.502 1.202 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCC)C1 ZINC001130610896 939908277 /nfs/dbraw/zinc/90/82/77/939908277.db2.gz UZTIINFZLGEIBD-UHOSZYNNSA-N 2 1 357.502 1.202 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130714499 940006325 /nfs/dbraw/zinc/00/63/25/940006325.db2.gz BVPHHGLOKXGVTK-DOTOQJQBSA-N 2 1 367.925 1.789 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1c1cn(C)cn1 ZINC001130721344 940025101 /nfs/dbraw/zinc/02/51/01/940025101.db2.gz CIBPFQHXHDUXBZ-HQRMLTQVSA-N 2 1 357.502 1.366 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131071899 940484979 /nfs/dbraw/zinc/48/49/79/940484979.db2.gz BVSSORUKYXVBIO-IAGOWNOFSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131072110 940485064 /nfs/dbraw/zinc/48/50/64/940485064.db2.gz JXPNTQUXPLNQAA-IAGOWNOFSA-N 2 1 357.502 1.059 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316361 940550993 /nfs/dbraw/zinc/55/09/93/940550993.db2.gz GJMIGDWUEXSIDK-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316361 940550994 /nfs/dbraw/zinc/55/09/94/940550994.db2.gz GJMIGDWUEXSIDK-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844367607 948017462 /nfs/dbraw/zinc/01/74/62/948017462.db2.gz AIRUNYYTDWPRIH-LJQANCHMSA-N 2 1 358.486 1.512 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC000844367607 948017471 /nfs/dbraw/zinc/01/74/71/948017471.db2.gz AIRUNYYTDWPRIH-LJQANCHMSA-N 2 1 358.486 1.512 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000773 953051842 /nfs/dbraw/zinc/05/18/42/953051842.db2.gz NEMYILWCDJNWBP-OTWHNJEPSA-N 2 1 359.518 1.753 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087101168 953272138 /nfs/dbraw/zinc/27/21/38/953272138.db2.gz WWSNLFTXFSESIV-XUVXKRRUSA-N 2 1 370.497 1.463 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091867856 953617501 /nfs/dbraw/zinc/61/75/01/953617501.db2.gz DAWGAYVKUSDMJP-RVJQKTFWSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091867856 953617506 /nfs/dbraw/zinc/61/75/06/953617506.db2.gz DAWGAYVKUSDMJP-RVJQKTFWSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091867856 953617510 /nfs/dbraw/zinc/61/75/10/953617510.db2.gz DAWGAYVKUSDMJP-RVJQKTFWSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091867856 953617511 /nfs/dbraw/zinc/61/75/11/953617511.db2.gz DAWGAYVKUSDMJP-RVJQKTFWSA-N 2 1 365.905 1.382 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ocnc3C)C[C@H]2C)CC1 ZINC001093224336 957853466 /nfs/dbraw/zinc/85/34/66/957853466.db2.gz QWQBNJJHTOLERH-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001093459423 958180432 /nfs/dbraw/zinc/18/04/32/958180432.db2.gz SYKJYGSEQCDKES-JYBIWHBTSA-N 2 1 360.502 1.734 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001093459421 958181121 /nfs/dbraw/zinc/18/11/21/958181121.db2.gz SYKJYGSEQCDKES-IZBJGVDFSA-N 2 1 360.502 1.734 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1ocnc1C)CC2 ZINC001094436276 960440914 /nfs/dbraw/zinc/44/09/14/960440914.db2.gz HOGOWHLNERQJOU-FBBABVLZSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1ocnc1C)CC2 ZINC001094436276 960440926 /nfs/dbraw/zinc/44/09/26/960440926.db2.gz HOGOWHLNERQJOU-FBBABVLZSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ocnc1C)CC2 ZINC001094436276 960440933 /nfs/dbraw/zinc/44/09/33/960440933.db2.gz HOGOWHLNERQJOU-FBBABVLZSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1ocnc1C)CC2 ZINC001094436276 960440938 /nfs/dbraw/zinc/44/09/38/960440938.db2.gz HOGOWHLNERQJOU-FBBABVLZSA-N 2 1 370.497 1.941 20 30 FDEDMP COCC#CC[NH2+]CCCN(CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001177328148 963767278 /nfs/dbraw/zinc/76/72/78/963767278.db2.gz ATOOPZOZHIFPSK-UYAOXDASSA-N 2 1 363.546 1.975 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001177760170 963962094 /nfs/dbraw/zinc/96/20/94/963962094.db2.gz ZZLRSUQPKAPRGS-LJQANCHMSA-N 2 1 354.498 1.413 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001177760170 963962097 /nfs/dbraw/zinc/96/20/97/963962097.db2.gz ZZLRSUQPKAPRGS-LJQANCHMSA-N 2 1 354.498 1.413 20 30 FDEDMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001188956784 966671807 /nfs/dbraw/zinc/67/18/07/966671807.db2.gz MUWPLVGBPAZIBG-AZUAARDMSA-N 2 1 370.497 1.963 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660522 967170770 /nfs/dbraw/zinc/17/07/70/967170770.db2.gz UJNHPWPAVAHGPR-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189660522 967170775 /nfs/dbraw/zinc/17/07/75/967170775.db2.gz UJNHPWPAVAHGPR-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189660522 967170779 /nfs/dbraw/zinc/17/07/79/967170779.db2.gz UJNHPWPAVAHGPR-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189660522 967170783 /nfs/dbraw/zinc/17/07/83/967170783.db2.gz UJNHPWPAVAHGPR-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001189802096 967304850 /nfs/dbraw/zinc/30/48/50/967304850.db2.gz RZTVHHYYFYBZKO-RBUKOAKNSA-N 2 1 356.470 1.169 20 30 FDEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]21 ZINC001189802096 967304860 /nfs/dbraw/zinc/30/48/60/967304860.db2.gz RZTVHHYYFYBZKO-RBUKOAKNSA-N 2 1 356.470 1.169 20 30 FDEDMP C[NH+]1CCN([C@@H](CNC(=O)C#CC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000852872157 967678843 /nfs/dbraw/zinc/67/88/43/967678843.db2.gz ISRQFUYPJPMUFG-KRWDZBQOSA-N 2 1 360.527 1.156 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000867959942 977143221 /nfs/dbraw/zinc/14/32/21/977143221.db2.gz FDLGEOVFHHHWBL-HXUWFJFHSA-N 2 1 368.481 1.316 20 30 FDEDMP C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[N@H+]1Cc1ccccc1 ZINC000884228759 983003247 /nfs/dbraw/zinc/00/32/47/983003247.db2.gz YLMDXVUYQDVRTQ-WJXBRQKSSA-N 2 1 352.482 1.905 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000884234185 983008430 /nfs/dbraw/zinc/00/84/30/983008430.db2.gz KOPNNPZRELSJEJ-WBTXTPOCSA-N 2 1 367.497 1.064 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884314377 983076663 /nfs/dbraw/zinc/07/66/63/983076663.db2.gz HSRMXCDFSXOEBM-OPTGKZCPSA-N 2 1 352.482 1.762 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cc(C)nc(N3CCCC3)c2)C1 ZINC000884361146 983114047 /nfs/dbraw/zinc/11/40/47/983114047.db2.gz NDYZMUSOAILKFI-GOSISDBHSA-N 2 1 355.486 1.887 20 30 FDEDMP C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000886361722 986100516 /nfs/dbraw/zinc/10/05/16/986100516.db2.gz SQFFDIKISSUOPX-QUCCMNQESA-N 2 1 369.509 1.869 20 30 FDEDMP C#CC[C@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000886361722 986100532 /nfs/dbraw/zinc/10/05/32/986100532.db2.gz SQFFDIKISSUOPX-QUCCMNQESA-N 2 1 369.509 1.869 20 30 FDEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C3(C#N)CCOCC3)CC2)CC1 ZINC000371080378 990232430 /nfs/dbraw/zinc/23/24/30/990232430.db2.gz LGWCTXPDVTVJBI-UHFFFAOYSA-N 2 1 362.518 1.619 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000876735674 992851441 /nfs/dbraw/zinc/85/14/41/992851441.db2.gz BEHJTJURNBPJTF-PBHICJAKSA-N 2 1 351.878 1.993 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000876735674 992851447 /nfs/dbraw/zinc/85/14/47/992851447.db2.gz BEHJTJURNBPJTF-PBHICJAKSA-N 2 1 351.878 1.993 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000876976308 992992924 /nfs/dbraw/zinc/99/29/24/992992924.db2.gz NRBROOZBNXLIFV-SJORKVTESA-N 2 1 350.894 1.389 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000876976308 992992931 /nfs/dbraw/zinc/99/29/31/992992931.db2.gz NRBROOZBNXLIFV-SJORKVTESA-N 2 1 350.894 1.389 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264069112 997395909 /nfs/dbraw/zinc/39/59/09/997395909.db2.gz FUDYWZSZQSKFEU-FQEVSTJZSA-N 3 1 372.561 1.323 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264069112 997395916 /nfs/dbraw/zinc/39/59/16/997395916.db2.gz FUDYWZSZQSKFEU-FQEVSTJZSA-N 3 1 372.561 1.323 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264069112 997395924 /nfs/dbraw/zinc/39/59/24/997395924.db2.gz FUDYWZSZQSKFEU-FQEVSTJZSA-N 3 1 372.561 1.323 20 30 FDEDMP CCCC(=O)Nc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000104170547 998313778 /nfs/dbraw/zinc/31/37/78/998313778.db2.gz KBHKPUHLEYTPNM-UHFFFAOYSA-N 2 1 361.490 1.552 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000890363094 998914076 /nfs/dbraw/zinc/91/40/76/998914076.db2.gz KICWQPLQKKJRRE-PMACEKPBSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000890363094 998914079 /nfs/dbraw/zinc/91/40/79/998914079.db2.gz KICWQPLQKKJRRE-PMACEKPBSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000890363094 998914080 /nfs/dbraw/zinc/91/40/80/998914080.db2.gz KICWQPLQKKJRRE-PMACEKPBSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000890363094 998914083 /nfs/dbraw/zinc/91/40/83/998914083.db2.gz KICWQPLQKKJRRE-PMACEKPBSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000890364616 998914950 /nfs/dbraw/zinc/91/49/50/998914950.db2.gz DXBOGDDKXLZNTO-PKOBYXMFSA-N 2 1 358.486 1.695 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000890364616 998914951 /nfs/dbraw/zinc/91/49/51/998914951.db2.gz DXBOGDDKXLZNTO-PKOBYXMFSA-N 2 1 358.486 1.695 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1 ZINC000267432905 999334566 /nfs/dbraw/zinc/33/45/66/999334566.db2.gz MYFRIRBMSOKJQG-SFHVURJKSA-N 2 1 357.502 1.698 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000928654014 1001610321 /nfs/dbraw/zinc/61/03/21/1001610321.db2.gz KGCSQTXTKJQBIE-FQEVSTJZSA-N 2 1 355.482 1.398 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111038991 1005127146 /nfs/dbraw/zinc/12/71/46/1005127146.db2.gz UKTYQMCDBKDLEN-MKXGPGLRSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001114859547 1009562146 /nfs/dbraw/zinc/56/21/46/1009562146.db2.gz RJOGOKGVCRFCEK-MJCUULBUSA-N 2 1 369.509 1.581 20 30 FDEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001114859547 1009562161 /nfs/dbraw/zinc/56/21/61/1009562161.db2.gz RJOGOKGVCRFCEK-MJCUULBUSA-N 2 1 369.509 1.581 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1 ZINC001114859547 1009562176 /nfs/dbraw/zinc/56/21/76/1009562176.db2.gz RJOGOKGVCRFCEK-MJCUULBUSA-N 2 1 369.509 1.581 20 30 FDEDMP CC(C)(CNC(=[NH2+])NCCCN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000303885259 1009673162 /nfs/dbraw/zinc/67/31/62/1009673162.db2.gz JOIUIFQPKBXSCC-UHFFFAOYSA-N 2 1 373.545 1.450 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000303909793 1009688221 /nfs/dbraw/zinc/68/82/21/1009688221.db2.gz YMUYYWHBNBGHAW-GOSISDBHSA-N 3 1 373.549 1.112 20 30 FDEDMP CCN1CCN(c2ccc(CNC(=[NH2+])NC[C@H]3CCC[N@@H+]3CC)cn2)CC1 ZINC000303909793 1009688228 /nfs/dbraw/zinc/68/82/28/1009688228.db2.gz YMUYYWHBNBGHAW-GOSISDBHSA-N 2 1 373.549 1.112 20 30 FDEDMP CCN1CCN(c2ccc(CNC(=[NH2+])NC[C@H]3CCC[N@H+]3CC)cn2)CC1 ZINC000303909793 1009688237 /nfs/dbraw/zinc/68/82/37/1009688237.db2.gz YMUYYWHBNBGHAW-GOSISDBHSA-N 2 1 373.549 1.112 20 30 FDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303972086 1009783039 /nfs/dbraw/zinc/78/30/39/1009783039.db2.gz FMQJWWQNYFPFDK-GOSISDBHSA-N 2 1 359.518 1.637 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512288088 538971074 /nfs/dbraw/zinc/97/10/74/538971074.db2.gz YGVVPGJURQRGSZ-DYESRHJHSA-N 2 1 370.497 1.985 20 30 FDEDMP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000514602846 539014829 /nfs/dbraw/zinc/01/48/29/539014829.db2.gz GHCNHVNBFFXFPQ-KRWDZBQOSA-N 2 1 365.499 1.158 20 30 FDEDMP CN(C)c1cc(C#N)cc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000550713942 543157035 /nfs/dbraw/zinc/15/70/35/543157035.db2.gz MFYIAHZXWMSTCE-UHFFFAOYSA-N 2 1 357.502 1.722 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2Cn2cc[nH+]c2CC)CC1 ZINC000553669657 543678002 /nfs/dbraw/zinc/67/80/02/543678002.db2.gz YISYBRFXFLICOM-KRWDZBQOSA-N 2 1 373.501 1.203 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000557731211 544337325 /nfs/dbraw/zinc/33/73/25/544337325.db2.gz COMUJHKPOHUMEO-KRWDZBQOSA-N 2 1 364.534 1.237 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000557769805 544344576 /nfs/dbraw/zinc/34/45/76/544344576.db2.gz SRESCDMINQZCBQ-IAGOWNOFSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000559793577 544800715 /nfs/dbraw/zinc/80/07/15/544800715.db2.gz GBZGCZTUEGXCJR-CALCHBBNSA-N 2 1 364.534 1.237 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000074132444 522688172 /nfs/dbraw/zinc/68/81/72/522688172.db2.gz ZSJRKKMROAZYSF-LJQANCHMSA-N 3 1 365.566 1.694 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000129868432 525698198 /nfs/dbraw/zinc/69/81/98/525698198.db2.gz RKBZRMYWTSCXNA-IBGZPJMESA-N 2 1 357.502 1.845 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247288336 537104146 /nfs/dbraw/zinc/10/41/46/537104146.db2.gz SYCFYAYXDQHRGG-YLJYHZDGSA-N 2 1 354.498 1.753 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000264106120 537137723 /nfs/dbraw/zinc/13/77/23/537137723.db2.gz PLRAGSCMAZWWOZ-HXUWFJFHSA-N 2 1 373.545 1.784 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000375902367 537795576 /nfs/dbraw/zinc/79/55/76/537795576.db2.gz FILJUNQWYCGZRY-FQEVSTJZSA-N 2 1 369.513 1.275 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000375902367 537795582 /nfs/dbraw/zinc/79/55/82/537795582.db2.gz FILJUNQWYCGZRY-FQEVSTJZSA-N 2 1 369.513 1.275 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000566117055 547612695 /nfs/dbraw/zinc/61/26/95/547612695.db2.gz RUUCQFHKKLSWOK-LZLYRXPVSA-N 2 1 350.532 1.927 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000566117055 547612702 /nfs/dbraw/zinc/61/27/02/547612702.db2.gz RUUCQFHKKLSWOK-LZLYRXPVSA-N 2 1 350.532 1.927 20 30 FDEDMP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)c(C#N)c1C ZINC000568928783 548733004 /nfs/dbraw/zinc/73/30/04/548733004.db2.gz FEDQFTUDVTXGMN-OAHLLOKOSA-N 2 1 363.506 1.910 20 30 FDEDMP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)c(C#N)c1C ZINC000568928783 548733008 /nfs/dbraw/zinc/73/30/08/548733008.db2.gz FEDQFTUDVTXGMN-OAHLLOKOSA-N 2 1 363.506 1.910 20 30 FDEDMP C[C@@H]1C[N@H+](CCCNCCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000572114523 549845086 /nfs/dbraw/zinc/84/50/86/549845086.db2.gz ZEKJJFIZESBTDO-MRXNPFEDSA-N 2 1 365.499 1.422 20 30 FDEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)c2)CCO1 ZINC000581066858 551048433 /nfs/dbraw/zinc/04/84/33/551048433.db2.gz ZCZGFMQKHOQATC-FXAWDEMLSA-N 2 1 360.502 1.203 20 30 FDEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)c2)CCO1 ZINC000581066858 551048435 /nfs/dbraw/zinc/04/84/35/551048435.db2.gz ZCZGFMQKHOQATC-FXAWDEMLSA-N 2 1 360.502 1.203 20 30 FDEDMP C[N@H+]1CCCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593509720 552119407 /nfs/dbraw/zinc/11/94/07/552119407.db2.gz PCEWSTOHYDWDIN-UHFFFAOYSA-N 2 1 355.486 1.870 20 30 FDEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000594439037 552310632 /nfs/dbraw/zinc/31/06/32/552310632.db2.gz NCYNSAUNIFKMPS-UHOSZYNNSA-N 2 1 358.486 1.803 20 30 FDEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000594439037 552310634 /nfs/dbraw/zinc/31/06/34/552310634.db2.gz NCYNSAUNIFKMPS-UHOSZYNNSA-N 2 1 358.486 1.803 20 30 FDEDMP N#Cc1cnn2cc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)cnc12 ZINC000597187645 552759069 /nfs/dbraw/zinc/75/90/69/552759069.db2.gz RQURAGAKIPNUHD-LJQANCHMSA-N 2 1 362.437 1.457 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000152559737 671885112 /nfs/dbraw/zinc/88/51/12/671885112.db2.gz JKSAFQHJXHUOJQ-KSZLIROESA-N 2 1 352.523 1.703 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000152559737 671885115 /nfs/dbraw/zinc/88/51/15/671885115.db2.gz JKSAFQHJXHUOJQ-KSZLIROESA-N 2 1 352.523 1.703 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262806853 672851154 /nfs/dbraw/zinc/85/11/54/672851154.db2.gz SJPQRBPXRMULNV-JTOWHCCKSA-N 2 1 354.564 1.792 20 30 FDEDMP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000329701372 676650280 /nfs/dbraw/zinc/65/02/80/676650280.db2.gz HHZNKZWJZQUKML-XYJFISCASA-N 2 1 351.539 1.389 20 30 FDEDMP C[C@H](NC(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329701372 676650282 /nfs/dbraw/zinc/65/02/82/676650282.db2.gz HHZNKZWJZQUKML-XYJFISCASA-N 2 1 351.539 1.389 20 30 FDEDMP C[C@H](NC(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329701372 676650283 /nfs/dbraw/zinc/65/02/83/676650283.db2.gz HHZNKZWJZQUKML-XYJFISCASA-N 2 1 351.539 1.389 20 30 FDEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000424105055 680830123 /nfs/dbraw/zinc/83/01/23/680830123.db2.gz ISRQFKBXCMCYIO-ZDUSSCGKSA-N 2 1 350.385 1.121 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000472288937 685193274 /nfs/dbraw/zinc/19/32/74/685193274.db2.gz WTFQXHZPBOEREK-QGZVFWFLSA-N 2 1 350.507 1.762 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000472288937 685193277 /nfs/dbraw/zinc/19/32/77/685193277.db2.gz WTFQXHZPBOEREK-QGZVFWFLSA-N 2 1 350.507 1.762 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CC[C@]2(CCOC2)C1 ZINC000158136829 782617687 /nfs/dbraw/zinc/61/76/87/782617687.db2.gz MJRUJCYCROOAHS-IBGZPJMESA-N 2 1 354.458 1.764 20 30 FDEDMP COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000969703316 770699935 /nfs/dbraw/zinc/69/99/35/770699935.db2.gz GNASNSZHPSUAOW-SPYBWZPUSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C[NH+]2CC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000969703316 770699949 /nfs/dbraw/zinc/69/99/49/770699949.db2.gz GNASNSZHPSUAOW-SPYBWZPUSA-N 2 1 370.497 1.844 20 30 FDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194087 771241024 /nfs/dbraw/zinc/24/10/24/771241024.db2.gz VRJNIFZELIZFNZ-FCEWJHQRSA-N 2 1 353.482 1.687 20 30 FDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194087 771241028 /nfs/dbraw/zinc/24/10/28/771241028.db2.gz VRJNIFZELIZFNZ-FCEWJHQRSA-N 2 1 353.482 1.687 20 30 FDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194087 771241029 /nfs/dbraw/zinc/24/10/29/771241029.db2.gz VRJNIFZELIZFNZ-FCEWJHQRSA-N 2 1 353.482 1.687 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCOCC2)C1 ZINC001104306189 774436214 /nfs/dbraw/zinc/43/62/14/774436214.db2.gz PPGVNHTZQYXXCJ-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC2CCOCC2)C1 ZINC001104306189 774436218 /nfs/dbraw/zinc/43/62/18/774436218.db2.gz PPGVNHTZQYXXCJ-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753820 793291878 /nfs/dbraw/zinc/29/18/78/793291878.db2.gz UQTTYEOSBLEIGT-VAMGGRTRSA-N 2 1 363.546 1.973 20 30 FDEDMP COc1ccc(C#N)cc1CN1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892450 806874587 /nfs/dbraw/zinc/87/45/87/806874587.db2.gz WDTOBPVZBSEUQN-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892450 806874592 /nfs/dbraw/zinc/87/45/92/806874592.db2.gz WDTOBPVZBSEUQN-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892450 806874596 /nfs/dbraw/zinc/87/45/96/806874596.db2.gz WDTOBPVZBSEUQN-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892450 806874600 /nfs/dbraw/zinc/87/46/00/806874600.db2.gz WDTOBPVZBSEUQN-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892450 806874605 /nfs/dbraw/zinc/87/46/05/806874605.db2.gz WDTOBPVZBSEUQN-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP C=CC[C@@]1(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000662760587 803084859 /nfs/dbraw/zinc/08/48/59/803084859.db2.gz XQBZGLBBUWLCIQ-NRFANRHFSA-N 2 1 356.514 1.965 20 30 FDEDMP C[N@@H+](CCN1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1)Cc1ccccc1 ZINC000424139941 815316512 /nfs/dbraw/zinc/31/65/12/815316512.db2.gz AQRXWOSNTLBVNW-LJQANCHMSA-N 2 1 357.502 1.284 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cc(C#N)ccc3F)C2)CC[N@H+]1C ZINC001028551013 810624222 /nfs/dbraw/zinc/62/42/22/810624222.db2.gz XJNDHASKHCUIBD-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC[NH+]1C ZINC001028551013 810624226 /nfs/dbraw/zinc/62/42/26/810624226.db2.gz XJNDHASKHCUIBD-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC[NH+]1C ZINC001028551013 810624230 /nfs/dbraw/zinc/62/42/30/810624230.db2.gz XJNDHASKHCUIBD-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP CC[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261831897 813891695 /nfs/dbraw/zinc/89/16/95/813891695.db2.gz VOUHADSYNQTYLV-GOEBONIOSA-N 2 1 359.522 1.542 20 30 FDEDMP Cc1nnc(CNC(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)=[NH+]C2CCCC2)n1C ZINC000261940446 816954587 /nfs/dbraw/zinc/95/45/87/816954587.db2.gz DLEWNMFRYPYQLO-XJKSGUPXSA-N 2 1 359.522 1.727 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087476908 818393886 /nfs/dbraw/zinc/39/38/86/818393886.db2.gz LRTDRCUDSSXVLR-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CCC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087476908 818393894 /nfs/dbraw/zinc/39/38/94/818393894.db2.gz LRTDRCUDSSXVLR-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CCC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087476908 818393899 /nfs/dbraw/zinc/39/38/99/818393899.db2.gz LRTDRCUDSSXVLR-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C(F)(F)F ZINC001112151914 819223527 /nfs/dbraw/zinc/22/35/27/819223527.db2.gz AUBAAPCWDJZIFT-RBSFLKMASA-N 2 1 361.408 1.098 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C(F)(F)F ZINC001112151914 819223534 /nfs/dbraw/zinc/22/35/34/819223534.db2.gz AUBAAPCWDJZIFT-RBSFLKMASA-N 2 1 361.408 1.098 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1 ZINC001075798545 820436247 /nfs/dbraw/zinc/43/62/47/820436247.db2.gz FNSXBMDROQKRKI-KFKAGJAMSA-N 2 1 370.522 1.994 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1 ZINC001075798545 820436253 /nfs/dbraw/zinc/43/62/53/820436253.db2.gz FNSXBMDROQKRKI-KFKAGJAMSA-N 2 1 370.522 1.994 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC001075810448 821190264 /nfs/dbraw/zinc/19/02/64/821190264.db2.gz DTNBXNFLZQILKJ-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC[NH+]1C ZINC001075810448 821190271 /nfs/dbraw/zinc/19/02/71/821190271.db2.gz DTNBXNFLZQILKJ-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)CC[NH+]1C ZINC001075810448 821190275 /nfs/dbraw/zinc/19/02/75/821190275.db2.gz DTNBXNFLZQILKJ-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329281446 824713936 /nfs/dbraw/zinc/71/39/36/824713936.db2.gz MMQCPMXJOOTVFD-YZYRWKSTSA-N 2 1 364.534 1.835 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000329616356 825002165 /nfs/dbraw/zinc/00/21/65/825002165.db2.gz FOWQBLIAWCICRO-ZDUSSCGKSA-N 2 1 362.478 1.129 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000329616356 825002168 /nfs/dbraw/zinc/00/21/68/825002168.db2.gz FOWQBLIAWCICRO-ZDUSSCGKSA-N 2 1 362.478 1.129 20 30 FDEDMP CN(C(=O)NCc1nc(C#N)cs1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000897282762 827696172 /nfs/dbraw/zinc/69/61/72/827696172.db2.gz UHVAFPUYKRVXTP-HNNXBMFYSA-N 2 1 362.503 1.325 20 30 FDEDMP C=CCN1CC[C@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000985443169 827861076 /nfs/dbraw/zinc/86/10/76/827861076.db2.gz VSDGHFSJDXCTGW-NXHRZFHOSA-N 2 1 362.518 1.036 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000985443169 827861083 /nfs/dbraw/zinc/86/10/83/827861083.db2.gz VSDGHFSJDXCTGW-NXHRZFHOSA-N 2 1 362.518 1.036 20 30 FDEDMP C=CCN1CC[C@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000985443169 827861088 /nfs/dbraw/zinc/86/10/88/827861088.db2.gz VSDGHFSJDXCTGW-NXHRZFHOSA-N 2 1 362.518 1.036 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@H+]3CCCO)CC2)cc1 ZINC000449389304 829480696 /nfs/dbraw/zinc/48/06/96/829480696.db2.gz RVDFRKISWURWNI-OAQYLSRUSA-N 2 1 356.514 1.959 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@@H+]3CCCO)CC2)cc1 ZINC000449389304 829480698 /nfs/dbraw/zinc/48/06/98/829480698.db2.gz RVDFRKISWURWNI-OAQYLSRUSA-N 2 1 356.514 1.959 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CCN(c2ncccn2)CC1 ZINC000262788289 831433227 /nfs/dbraw/zinc/43/32/27/831433227.db2.gz NGJPWIZRCILQPU-KRWDZBQOSA-N 2 1 359.522 1.439 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105641451 842291970 /nfs/dbraw/zinc/29/19/70/842291970.db2.gz BGYMECHGSMXHCC-IZBJGVDFSA-N 2 1 360.502 1.734 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC3CCOCC3)[C@@H]2C)CC1 ZINC001089059308 866384160 /nfs/dbraw/zinc/38/41/60/866384160.db2.gz HUIZXVVUSISCHC-XLIONFOSSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001089059753 866388023 /nfs/dbraw/zinc/38/80/23/866388023.db2.gz ZGDRLZFXYFWKHS-NEWSRXKRSA-N 2 1 361.530 1.726 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000913977004 870188770 /nfs/dbraw/zinc/18/87/70/870188770.db2.gz DGDUJOFUECARNV-HOTGVXAUSA-N 2 1 350.507 1.271 20 30 FDEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106149246 871390513 /nfs/dbraw/zinc/39/05/13/871390513.db2.gz ATOBXZOMOGZFEU-FGTMMUONSA-N 2 1 360.502 1.731 20 30 FDEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001106666859 876479017 /nfs/dbraw/zinc/47/90/17/876479017.db2.gz XKKRTNNCKACKSS-GZBFAFLISA-N 2 1 358.324 1.921 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000922264931 877194580 /nfs/dbraw/zinc/19/45/80/877194580.db2.gz YMYXQWWXPOWMBG-LJQANCHMSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CCN(C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C1CC[NH+](C)CC1 ZINC000922876529 879562681 /nfs/dbraw/zinc/56/26/81/879562681.db2.gz CMZOZMASTCLVAY-ICSRJNTNSA-N 2 1 369.513 1.813 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000676249946 886310844 /nfs/dbraw/zinc/31/08/44/886310844.db2.gz JKSAFQHJXHUOJQ-KZNAEPCWSA-N 2 1 352.523 1.703 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000676249946 886310854 /nfs/dbraw/zinc/31/08/54/886310854.db2.gz JKSAFQHJXHUOJQ-KZNAEPCWSA-N 2 1 352.523 1.703 20 30 FDEDMP Cn1ccnc1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923342549 888961348 /nfs/dbraw/zinc/96/13/48/888961348.db2.gz PGLVXANDIIXIRA-RTBURBONSA-N 2 1 365.481 1.969 20 30 FDEDMP Cn1ccnc1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923342549 888961354 /nfs/dbraw/zinc/96/13/54/888961354.db2.gz PGLVXANDIIXIRA-RTBURBONSA-N 2 1 365.481 1.969 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)c3ccccc3)C[C@@H]2O)CC1 ZINC001084088019 913361253 /nfs/dbraw/zinc/36/12/53/913361253.db2.gz MFHBDFSILQVMFP-NJYVYQBISA-N 2 1 369.509 1.644 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)C1 ZINC000923555462 889771719 /nfs/dbraw/zinc/77/17/19/889771719.db2.gz QUHCVZOFVSVQQZ-IRLDBZIGSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)C1 ZINC000923555462 889771730 /nfs/dbraw/zinc/77/17/30/889771730.db2.gz QUHCVZOFVSVQQZ-IRLDBZIGSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000923555462 889771738 /nfs/dbraw/zinc/77/17/38/889771738.db2.gz QUHCVZOFVSVQQZ-IRLDBZIGSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000923555462 889771746 /nfs/dbraw/zinc/77/17/46/889771746.db2.gz QUHCVZOFVSVQQZ-IRLDBZIGSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000921992451 893920068 /nfs/dbraw/zinc/92/00/68/893920068.db2.gz WDLSHTJNCQXBIC-XLIONFOSSA-N 2 1 354.498 1.904 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000671082060 896162703 /nfs/dbraw/zinc/16/27/03/896162703.db2.gz QPFZBSZDSZVMQO-DLBZAZTESA-N 2 1 350.507 1.012 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C)c3)C[C@H]2O)CC1 ZINC001078226985 898426731 /nfs/dbraw/zinc/42/67/31/898426731.db2.gz CUCYILHPYLHHJL-WOJBJXKFSA-N 2 1 355.482 1.002 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3csc(C)c3)C[C@H]2O)CC1 ZINC001078226940 898426777 /nfs/dbraw/zinc/42/67/77/898426777.db2.gz AHJGPKQSXHTLTL-QZTJIDSGSA-N 2 1 361.511 1.063 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)c3)C[C@H]2O)CC1 ZINC001078226940 898426783 /nfs/dbraw/zinc/42/67/83/898426783.db2.gz AHJGPKQSXHTLTL-QZTJIDSGSA-N 2 1 361.511 1.063 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(CC)c3)C[C@H]2O)CC1 ZINC001078228611 898438849 /nfs/dbraw/zinc/43/88/49/898438849.db2.gz XPDNZILRUFELFK-NHCUHLMSSA-N 2 1 369.509 1.256 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227360 902240055 /nfs/dbraw/zinc/24/00/55/902240055.db2.gz PJXPNICSYGJNMI-YESZJQIVSA-N 2 1 367.921 1.773 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227360 902240057 /nfs/dbraw/zinc/24/00/57/902240057.db2.gz PJXPNICSYGJNMI-YESZJQIVSA-N 2 1 367.921 1.773 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079256870 902286761 /nfs/dbraw/zinc/28/67/61/902286761.db2.gz JUYBXCLDBFLEHD-GBESFXJTSA-N 2 1 361.530 1.986 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260775 902299099 /nfs/dbraw/zinc/29/90/99/902299099.db2.gz ORNQEUQFGFIESZ-GBESFXJTSA-N 2 1 359.514 1.433 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710630 903121654 /nfs/dbraw/zinc/12/16/54/903121654.db2.gz QAHKHMZHGHVTON-TYCQWZJGSA-N 2 1 369.484 1.956 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710630 903121662 /nfs/dbraw/zinc/12/16/62/903121662.db2.gz QAHKHMZHGHVTON-TYCQWZJGSA-N 2 1 369.484 1.956 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160026 906088235 /nfs/dbraw/zinc/08/82/35/906088235.db2.gz YWCYQFHOAOHACS-IYWMVGAKSA-N 2 1 357.498 1.723 20 30 FDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160026 906088252 /nfs/dbraw/zinc/08/82/52/906088252.db2.gz YWCYQFHOAOHACS-IYWMVGAKSA-N 2 1 357.498 1.723 20 30 FDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160026 906088280 /nfs/dbraw/zinc/08/82/80/906088280.db2.gz YWCYQFHOAOHACS-IYWMVGAKSA-N 2 1 357.498 1.723 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001081133825 907235535 /nfs/dbraw/zinc/23/55/35/907235535.db2.gz HJWXJHLYJBWOSM-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001081133825 907235547 /nfs/dbraw/zinc/23/55/47/907235547.db2.gz HJWXJHLYJBWOSM-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150958 907262506 /nfs/dbraw/zinc/26/25/06/907262506.db2.gz MSRFNORVHRTINZ-LBQNXCCASA-N 2 1 365.477 1.067 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001082922448 910928413 /nfs/dbraw/zinc/92/84/13/910928413.db2.gz DODPWIINQLHUMV-FZKQIMNGSA-N 2 1 355.417 1.839 20 30 FDEDMP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084662577 915921803 /nfs/dbraw/zinc/92/18/03/915921803.db2.gz PAKNURSDGUGQHS-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084662577 915921808 /nfs/dbraw/zinc/92/18/08/915921808.db2.gz PAKNURSDGUGQHS-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084662577 915921809 /nfs/dbraw/zinc/92/18/09/915921809.db2.gz PAKNURSDGUGQHS-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084662577 915921812 /nfs/dbraw/zinc/92/18/12/915921812.db2.gz PAKNURSDGUGQHS-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085429597 924645793 /nfs/dbraw/zinc/64/57/93/924645793.db2.gz YUABQACTOPDUFX-AQNXPRMDSA-N 2 1 370.497 1.796 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085429597 924645796 /nfs/dbraw/zinc/64/57/96/924645796.db2.gz YUABQACTOPDUFX-AQNXPRMDSA-N 2 1 370.497 1.796 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169131225 928287615 /nfs/dbraw/zinc/28/76/15/928287615.db2.gz RYSWYYKRUJAKQX-JTJHWIPRSA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169131225 928287623 /nfs/dbraw/zinc/28/76/23/928287623.db2.gz RYSWYYKRUJAKQX-JTJHWIPRSA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169131225 928287630 /nfs/dbraw/zinc/28/76/30/928287630.db2.gz RYSWYYKRUJAKQX-JTJHWIPRSA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868168 930645350 /nfs/dbraw/zinc/64/53/50/930645350.db2.gz FAUKXXHJQNDFHF-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868168 930645353 /nfs/dbraw/zinc/64/53/53/930645353.db2.gz FAUKXXHJQNDFHF-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130012220 938614923 /nfs/dbraw/zinc/61/49/23/938614923.db2.gz VWAMUHZZESNVSL-SJORKVTESA-N 2 1 360.506 1.318 20 30 FDEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137414 938710490 /nfs/dbraw/zinc/71/04/90/938710490.db2.gz YFFVSHWRFSAEPF-MSOLQXFVSA-N 2 1 364.538 1.930 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590530 939897511 /nfs/dbraw/zinc/89/75/11/939897511.db2.gz VLPKHMXXCKEIRW-QXAKKESOSA-N 2 1 359.518 1.753 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607855 939919688 /nfs/dbraw/zinc/91/96/88/939919688.db2.gz NTACDQMEUJFWKQ-PKOBYXMFSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131010510 940441503 /nfs/dbraw/zinc/44/15/03/940441503.db2.gz OLVIKAMDRSYFAT-QZTJIDSGSA-N 2 1 359.518 1.755 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316794 940551115 /nfs/dbraw/zinc/55/11/15/940551115.db2.gz WNXBCVIGENJNGP-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316794 940551117 /nfs/dbraw/zinc/55/11/17/940551117.db2.gz WNXBCVIGENJNGP-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316794 940551118 /nfs/dbraw/zinc/55/11/18/940551118.db2.gz WNXBCVIGENJNGP-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316794 940551119 /nfs/dbraw/zinc/55/11/19/940551119.db2.gz WNXBCVIGENJNGP-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001131515464 940680332 /nfs/dbraw/zinc/68/03/32/940680332.db2.gz LSQBWGPBLYJQGM-AABGKKOBSA-N 2 1 357.498 1.093 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001131515464 940680334 /nfs/dbraw/zinc/68/03/34/940680334.db2.gz LSQBWGPBLYJQGM-AABGKKOBSA-N 2 1 357.498 1.093 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001131604948 940774758 /nfs/dbraw/zinc/77/47/58/940774758.db2.gz OTFOXNWKVMFKJG-OTWHNJEPSA-N 2 1 365.518 1.126 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001131609013 940789179 /nfs/dbraw/zinc/78/91/79/940789179.db2.gz UZVHOVORIHJYJL-AQNXPRMDSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001086721032 941640468 /nfs/dbraw/zinc/64/04/68/941640468.db2.gz BSRRBFYSTNYQQE-QKLQHJQFSA-N 2 1 369.513 1.301 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC001086721032 941640469 /nfs/dbraw/zinc/64/04/69/941640469.db2.gz BSRRBFYSTNYQQE-QKLQHJQFSA-N 2 1 369.513 1.301 20 30 FDEDMP C#C[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCOCC1 ZINC000856100099 970909910 /nfs/dbraw/zinc/90/99/10/970909910.db2.gz KWKXVXJEFSOMTJ-HXUWFJFHSA-N 2 1 361.530 1.727 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819024750 943406783 /nfs/dbraw/zinc/40/67/83/943406783.db2.gz UOCNKMKKHRVCGO-SFHVURJKSA-N 2 1 352.500 1.754 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195593819 971063679 /nfs/dbraw/zinc/06/36/79/971063679.db2.gz ANPQWOTVYNAICW-KURKYZTESA-N 2 1 355.523 1.227 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195593819 971063688 /nfs/dbraw/zinc/06/36/88/971063688.db2.gz ANPQWOTVYNAICW-KURKYZTESA-N 2 1 355.523 1.227 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195593819 971063697 /nfs/dbraw/zinc/06/36/97/971063697.db2.gz ANPQWOTVYNAICW-KURKYZTESA-N 2 1 355.523 1.227 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195593819 971063705 /nfs/dbraw/zinc/06/37/05/971063705.db2.gz ANPQWOTVYNAICW-KURKYZTESA-N 2 1 355.523 1.227 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000856328408 971068085 /nfs/dbraw/zinc/06/80/85/971068085.db2.gz UJEWNWMYJROTRW-NRFANRHFSA-N 2 1 368.525 1.264 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000856328408 971068097 /nfs/dbraw/zinc/06/80/97/971068097.db2.gz UJEWNWMYJROTRW-NRFANRHFSA-N 2 1 368.525 1.264 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856584982 971235953 /nfs/dbraw/zinc/23/59/53/971235953.db2.gz WIWXOCJIGMJEPC-RTBURBONSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856584982 971235958 /nfs/dbraw/zinc/23/59/58/971235958.db2.gz WIWXOCJIGMJEPC-RTBURBONSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584982 971235965 /nfs/dbraw/zinc/23/59/65/971235965.db2.gz WIWXOCJIGMJEPC-RTBURBONSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584982 971235971 /nfs/dbraw/zinc/23/59/71/971235971.db2.gz WIWXOCJIGMJEPC-RTBURBONSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110711763 971357053 /nfs/dbraw/zinc/35/70/53/971357053.db2.gz OAXXSCFIZJSCPO-TVFCKZIOSA-N 2 1 362.518 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110711763 971357060 /nfs/dbraw/zinc/35/70/60/971357060.db2.gz OAXXSCFIZJSCPO-TVFCKZIOSA-N 2 1 362.518 1.249 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1c1cnn(C)c1 ZINC001086979476 952993163 /nfs/dbraw/zinc/99/31/63/952993163.db2.gz AYIZEFVBKYCTMP-BPQIPLTHSA-N 2 1 368.485 1.348 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275414 954667311 /nfs/dbraw/zinc/66/73/11/954667311.db2.gz AIKBUCTUGFZDBR-ZBFHGGJFSA-N 2 1 356.308 1.771 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@]2(C)C1 ZINC001092275414 954667317 /nfs/dbraw/zinc/66/73/17/954667317.db2.gz AIKBUCTUGFZDBR-ZBFHGGJFSA-N 2 1 356.308 1.771 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4conc4C)C[C@@]3(C)C2)CC1 ZINC001092300253 954748942 /nfs/dbraw/zinc/74/89/42/954748942.db2.gz UAGNBNZVJPUXML-CTNGQTDRSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2C)CC1 ZINC001093221666 957849303 /nfs/dbraw/zinc/84/93/03/957849303.db2.gz BEJFNVJNBQJJMG-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)on3)C[C@H]2C)CC1 ZINC001093221666 957849313 /nfs/dbraw/zinc/84/93/13/957849313.db2.gz BEJFNVJNBQJJMG-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001093223531 957853826 /nfs/dbraw/zinc/85/38/26/957853826.db2.gz AYCICANGPXKTRD-WSTZPKSXSA-N 2 1 361.530 1.442 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cncs3)C[C@H]2C)CC1 ZINC001093224364 957857236 /nfs/dbraw/zinc/85/72/36/957857236.db2.gz SRGWYDWVMRVIEZ-NVXWUHKLSA-N 2 1 360.527 1.672 20 30 FDEDMP C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001197657435 972339349 /nfs/dbraw/zinc/33/93/49/972339349.db2.gz HPKRLWOZGNWTRE-FGTMMUONSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CCCC)C1 ZINC001197657435 972339357 /nfs/dbraw/zinc/33/93/57/972339357.db2.gz HPKRLWOZGNWTRE-FGTMMUONSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001197657435 972339360 /nfs/dbraw/zinc/33/93/60/972339360.db2.gz HPKRLWOZGNWTRE-FGTMMUONSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2CCCC)C1 ZINC001197657435 972339364 /nfs/dbraw/zinc/33/93/64/972339364.db2.gz HPKRLWOZGNWTRE-FGTMMUONSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](CCC)CCC)C1 ZINC001197723349 972393587 /nfs/dbraw/zinc/39/35/87/972393587.db2.gz GONDYCWPENCSAF-QZTJIDSGSA-N 2 1 355.523 1.253 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000775789307 972502895 /nfs/dbraw/zinc/50/28/95/972502895.db2.gz CPFNGVBGZJQPES-RTWAWAEBSA-N 2 1 369.509 1.800 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000775789307 972502902 /nfs/dbraw/zinc/50/29/02/972502902.db2.gz CPFNGVBGZJQPES-RTWAWAEBSA-N 2 1 369.509 1.800 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522263 964272193 /nfs/dbraw/zinc/27/21/93/964272193.db2.gz JXVJUMIKTNDOGX-BRWVUGGUSA-N 2 1 352.523 1.284 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187951836 965926676 /nfs/dbraw/zinc/92/66/76/965926676.db2.gz OVHNLIVJZPBVDH-ZIFCJYIRSA-N 2 1 359.518 1.946 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732565 967237627 /nfs/dbraw/zinc/23/76/27/967237627.db2.gz NBFPHJAKQDIJES-VQTJNVASSA-N 2 1 361.530 1.844 20 30 FDEDMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189898067 967412969 /nfs/dbraw/zinc/41/29/69/967412969.db2.gz CWINJGNWBAGTOF-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189898067 967412972 /nfs/dbraw/zinc/41/29/72/967412972.db2.gz CWINJGNWBAGTOF-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189898067 967412980 /nfs/dbraw/zinc/41/29/80/967412980.db2.gz CWINJGNWBAGTOF-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189898067 967412983 /nfs/dbraw/zinc/41/29/83/967412983.db2.gz CWINJGNWBAGTOF-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000852858233 967662979 /nfs/dbraw/zinc/66/29/79/967662979.db2.gz VRTAZHSTSQQNPZ-HDICACEKSA-N 2 1 369.509 1.915 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667776 967992347 /nfs/dbraw/zinc/99/23/47/967992347.db2.gz KHVBTKPKOSEPEI-XSYGEPLQSA-N 2 1 374.529 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001110667776 967992356 /nfs/dbraw/zinc/99/23/56/967992356.db2.gz KHVBTKPKOSEPEI-XSYGEPLQSA-N 2 1 374.529 1.249 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001199023923 973804759 /nfs/dbraw/zinc/80/47/59/973804759.db2.gz UMUHEWZQOFBGRT-RTBURBONSA-N 2 1 356.470 1.096 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)cc1 ZINC001199023923 973804769 /nfs/dbraw/zinc/80/47/69/973804769.db2.gz UMUHEWZQOFBGRT-RTBURBONSA-N 2 1 356.470 1.096 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594516 977805896 /nfs/dbraw/zinc/80/58/96/977805896.db2.gz DNXDWYBGICMMRO-OALUTQOASA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594516 977805917 /nfs/dbraw/zinc/80/59/17/977805917.db2.gz DNXDWYBGICMMRO-OALUTQOASA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594516 977805929 /nfs/dbraw/zinc/80/59/29/977805929.db2.gz DNXDWYBGICMMRO-OALUTQOASA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000884458908 983167746 /nfs/dbraw/zinc/16/77/46/983167746.db2.gz PUCFCYHCLQYLRG-SFHVURJKSA-N 2 1 362.518 1.274 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000884458908 983167751 /nfs/dbraw/zinc/16/77/51/983167751.db2.gz PUCFCYHCLQYLRG-SFHVURJKSA-N 2 1 362.518 1.274 20 30 FDEDMP N#Cc1ccc(NCC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000872198005 987509287 /nfs/dbraw/zinc/50/92/87/987509287.db2.gz KYFSCOYATUTLDO-FQEVSTJZSA-N 2 1 351.454 1.592 20 30 FDEDMP N#Cc1ccc(NCC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000872198005 987509296 /nfs/dbraw/zinc/50/92/96/987509296.db2.gz KYFSCOYATUTLDO-FQEVSTJZSA-N 2 1 351.454 1.592 20 30 FDEDMP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000362905099 988771731 /nfs/dbraw/zinc/77/17/31/988771731.db2.gz IGPYWVPFEKCMNH-UHFFFAOYSA-N 2 1 361.490 1.077 20 30 FDEDMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N[C@](C)(C#N)C3CC3)CC2)CC1 ZINC000368822343 989010461 /nfs/dbraw/zinc/01/04/61/989010461.db2.gz FCAGCECROPJRNF-HXUWFJFHSA-N 2 1 361.534 1.144 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000369758263 989149782 /nfs/dbraw/zinc/14/97/82/989149782.db2.gz VRSJSFYNRHFUEM-OAQYLSRUSA-N 2 1 369.509 1.881 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000369758263 989149789 /nfs/dbraw/zinc/14/97/89/989149789.db2.gz VRSJSFYNRHFUEM-OAQYLSRUSA-N 2 1 369.509 1.881 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000296468709 989226511 /nfs/dbraw/zinc/22/65/11/989226511.db2.gz WGJHJFAKOUARPT-SFHVURJKSA-N 2 1 372.513 1.662 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000296468709 989226521 /nfs/dbraw/zinc/22/65/21/989226521.db2.gz WGJHJFAKOUARPT-SFHVURJKSA-N 2 1 372.513 1.662 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000296468709 989226534 /nfs/dbraw/zinc/22/65/34/989226534.db2.gz WGJHJFAKOUARPT-SFHVURJKSA-N 2 1 372.513 1.662 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000296468709 989226545 /nfs/dbraw/zinc/22/65/45/989226545.db2.gz WGJHJFAKOUARPT-SFHVURJKSA-N 2 1 372.513 1.662 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000296468709 989226553 /nfs/dbraw/zinc/22/65/53/989226553.db2.gz WGJHJFAKOUARPT-SFHVURJKSA-N 2 1 372.513 1.662 20 30 FDEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000370611868 989896986 /nfs/dbraw/zinc/89/69/86/989896986.db2.gz FONPDNCRNDDCDX-FQEVSTJZSA-N 2 1 352.482 1.934 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000370611868 989896991 /nfs/dbraw/zinc/89/69/91/989896991.db2.gz FONPDNCRNDDCDX-FQEVSTJZSA-N 2 1 352.482 1.934 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000876780564 992906018 /nfs/dbraw/zinc/90/60/18/992906018.db2.gz HHMXZCSAYNFZAQ-SFHVURJKSA-N 2 1 364.921 1.910 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCC1CCOCC1 ZINC001095556526 993446169 /nfs/dbraw/zinc/44/61/69/993446169.db2.gz WTBLOIAUMIEKHK-FYQPLNBISA-N 2 1 359.514 1.622 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1csc(C)n1 ZINC001095556532 993446394 /nfs/dbraw/zinc/44/63/94/993446394.db2.gz XAOHXEUENUBCHK-XWSJACJDSA-N 2 1 372.538 1.813 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCc1csc(C)n1 ZINC001095556532 993446413 /nfs/dbraw/zinc/44/64/13/993446413.db2.gz XAOHXEUENUBCHK-XWSJACJDSA-N 2 1 372.538 1.813 20 30 FDEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C[C@@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000878174380 993762327 /nfs/dbraw/zinc/76/23/27/993762327.db2.gz AMNFHSZTNGMAGE-OYRHEFFESA-N 2 1 357.498 1.964 20 30 FDEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)C[C@H](O)C2CC2)c1)C[C@@H](O)C1CC1 ZINC000878174380 993762336 /nfs/dbraw/zinc/76/23/36/993762336.db2.gz AMNFHSZTNGMAGE-OYRHEFFESA-N 2 1 357.498 1.964 20 30 FDEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C[C@H](O)C2CC2)c1)C[C@@H](O)C1CC1 ZINC000878174380 993762345 /nfs/dbraw/zinc/76/23/45/993762345.db2.gz AMNFHSZTNGMAGE-OYRHEFFESA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](O)[C@@H](C)C3)c2)CC[C@@H]1O ZINC000878464228 993971481 /nfs/dbraw/zinc/97/14/81/993971481.db2.gz SABCKDBFRYJWQL-GQSCTRQFSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](O)[C@@H](C)C3)c2)CC[C@@H]1O ZINC000878464228 993971483 /nfs/dbraw/zinc/97/14/83/993971483.db2.gz SABCKDBFRYJWQL-GQSCTRQFSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](O)[C@@H](C)C3)c2)CC[C@@H]1O ZINC000878464228 993971487 /nfs/dbraw/zinc/97/14/87/993971487.db2.gz SABCKDBFRYJWQL-GQSCTRQFSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000878485551 993979726 /nfs/dbraw/zinc/97/97/26/993979726.db2.gz OHFUZBGNCWDVNF-LPTDTENNSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000878485551 993979731 /nfs/dbraw/zinc/97/97/31/993979731.db2.gz OHFUZBGNCWDVNF-LPTDTENNSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000878485551 993979735 /nfs/dbraw/zinc/97/97/35/993979735.db2.gz OHFUZBGNCWDVNF-LPTDTENNSA-N 2 1 357.498 1.964 20 30 FDEDMP [NH2+]=C(NCCCCOCCc1ccccc1)NCCC[NH+]1CCOCC1 ZINC000264063428 997393515 /nfs/dbraw/zinc/39/35/15/997393515.db2.gz AELHCLPDYZNQOL-UHFFFAOYSA-N 2 1 362.518 1.653 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000264240010 997435049 /nfs/dbraw/zinc/43/50/49/997435049.db2.gz DXLGMBDEPPNPJS-UHFFFAOYSA-N 2 1 374.407 1.841 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[NH+]1C(C)C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000826627956 998282878 /nfs/dbraw/zinc/28/28/78/998282878.db2.gz RBNKXEQQZRKVRC-QZTJIDSGSA-N 2 1 364.534 1.521 20 30 FDEDMP [NH2+]=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCC[NH+]1CCOCC1 ZINC000267469505 999343718 /nfs/dbraw/zinc/34/37/18/999343718.db2.gz XNDVLQRCSVFMGA-UHFFFAOYSA-N 2 1 368.403 1.684 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000284970358 999889146 /nfs/dbraw/zinc/88/91/46/999889146.db2.gz KNYYBQWEHUDNOT-UHFFFAOYSA-N 2 1 372.513 1.391 20 30 FDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110942677 1001436648 /nfs/dbraw/zinc/43/66/48/1001436648.db2.gz XTLASIDVJVDFNV-ZJPYXAASSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110942677 1001436653 /nfs/dbraw/zinc/43/66/53/1001436653.db2.gz XTLASIDVJVDFNV-ZJPYXAASSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942677 1001436656 /nfs/dbraw/zinc/43/66/56/1001436656.db2.gz XTLASIDVJVDFNV-ZJPYXAASSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942677 1001436661 /nfs/dbraw/zinc/43/66/61/1001436661.db2.gz XTLASIDVJVDFNV-ZJPYXAASSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512288091 538971085 /nfs/dbraw/zinc/97/10/85/538971085.db2.gz YGVVPGJURQRGSZ-UWJYYQICSA-N 2 1 370.497 1.985 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000533445434 540248865 /nfs/dbraw/zinc/24/88/65/540248865.db2.gz FTHJWKWRNLBRIY-HXUWFJFHSA-N 2 1 369.513 1.987 20 30 FDEDMP C[C@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000270024603 674155703 /nfs/dbraw/zinc/15/57/03/674155703.db2.gz BVHQDIJLXKAHAR-BSEYFRJRSA-N 2 1 352.504 1.112 20 30 FDEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069030295 172025141 /nfs/dbraw/zinc/02/51/41/172025141.db2.gz LRUWHHLAJHLEDA-MRXNPFEDSA-N 2 1 356.470 1.929 20 30 FDEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000556963800 544225713 /nfs/dbraw/zinc/22/57/13/544225713.db2.gz IXRDRCSWHKCEFS-VQTJNVASSA-N 2 1 370.497 1.972 20 30 FDEDMP N#Cc1cccc(OCCC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)c1 ZINC000373568745 261020804 /nfs/dbraw/zinc/02/08/04/261020804.db2.gz OCPRQRYQGYKABH-UHFFFAOYSA-N 2 1 372.513 1.667 20 30 FDEDMP N#Cc1cccc(OCCC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)c1 ZINC000373568745 261020805 /nfs/dbraw/zinc/02/08/05/261020805.db2.gz OCPRQRYQGYKABH-UHFFFAOYSA-N 2 1 372.513 1.667 20 30 FDEDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374258250 261100231 /nfs/dbraw/zinc/10/02/31/261100231.db2.gz JKDIINNZEPDPHS-KRWDZBQOSA-N 2 1 369.513 1.987 20 30 FDEDMP C=CCCn1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000657340108 782046762 /nfs/dbraw/zinc/04/67/62/782046762.db2.gz ZOKQKLLEJNEATB-UHFFFAOYSA-N 2 1 355.490 1.551 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843770 522167825 /nfs/dbraw/zinc/16/78/25/522167825.db2.gz OWPYITIHGFVYRA-UHFFFAOYSA-N 2 1 358.486 1.842 20 30 FDEDMP C[C@@H]1C[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000136876080 524220351 /nfs/dbraw/zinc/22/03/51/524220351.db2.gz WZEHYKVHFUJECC-UYAOXDASSA-N 2 1 373.545 1.524 20 30 FDEDMP C[C@@H]1C[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000136876080 524220353 /nfs/dbraw/zinc/22/03/53/524220353.db2.gz WZEHYKVHFUJECC-UYAOXDASSA-N 3 1 373.545 1.524 20 30 FDEDMP C[C@@H]1C[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000136876080 524220355 /nfs/dbraw/zinc/22/03/55/524220355.db2.gz WZEHYKVHFUJECC-UYAOXDASSA-N 3 1 373.545 1.524 20 30 FDEDMP Cc1[nH+]ccn1CCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N ZINC000139165701 524276634 /nfs/dbraw/zinc/27/66/34/524276634.db2.gz HEHKYDJNVQVSGF-UHFFFAOYSA-N 2 1 350.426 1.851 20 30 FDEDMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=[NH2+])Nc2ccccn2)CC1 ZINC000170907029 525762106 /nfs/dbraw/zinc/76/21/06/525762106.db2.gz HOFGZSYOKIXFFJ-UHFFFAOYSA-N 2 1 362.478 1.751 20 30 FDEDMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000185187254 536201713 /nfs/dbraw/zinc/20/17/13/536201713.db2.gz PURSGTCPGXMFME-KRWDZBQOSA-N 2 1 357.502 1.084 20 30 FDEDMP CCOC(=O)c1csc(CCNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)n1 ZINC000189068284 536992247 /nfs/dbraw/zinc/99/22/47/536992247.db2.gz HXORURPASZSDEZ-LBPRGKRZSA-N 2 1 353.492 1.251 20 30 FDEDMP C[NH+]=C(NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1)N1CCN(C(C)=O)CC1 ZINC000263275415 537007197 /nfs/dbraw/zinc/00/71/97/537007197.db2.gz YFRFJTRZOOHSAF-KRWDZBQOSA-N 2 1 361.490 1.464 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCn1cc(Br)cn1 ZINC000279881052 537357753 /nfs/dbraw/zinc/35/77/53/537357753.db2.gz AYWLBJAIBBRFIT-CQSZACIVSA-N 2 1 371.327 1.814 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000418793746 537768053 /nfs/dbraw/zinc/76/80/53/537768053.db2.gz QFDDAPPESXQYTO-MOPGFXCFSA-N 2 1 355.486 1.903 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424127382 538242790 /nfs/dbraw/zinc/24/27/90/538242790.db2.gz CTSYARPLVZOQOT-JTDSTZFVSA-N 2 1 358.486 1.933 20 30 FDEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000598720637 552928061 /nfs/dbraw/zinc/92/80/61/552928061.db2.gz QHRGPJPSWFYUOT-RTBURBONSA-N 2 1 372.513 1.774 20 30 FDEDMP CC[N@@H+](CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)C ZINC000089120780 671491700 /nfs/dbraw/zinc/49/17/00/671491700.db2.gz HAEXDTYTQNVMAT-HNNXBMFYSA-N 2 1 353.511 1.597 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000249490018 672565380 /nfs/dbraw/zinc/56/53/80/672565380.db2.gz ZGEIVNZYUKUKCP-JENIJYKNSA-N 2 1 352.523 1.767 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000249490018 672565382 /nfs/dbraw/zinc/56/53/82/672565382.db2.gz ZGEIVNZYUKUKCP-JENIJYKNSA-N 2 1 352.523 1.767 20 30 FDEDMP C[NH+]=C(NCC1(SC)CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261728772 672659712 /nfs/dbraw/zinc/65/97/12/672659712.db2.gz LJRDPNDAUWDQLA-MRXNPFEDSA-N 2 1 370.563 1.128 20 30 FDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288716858 676044555 /nfs/dbraw/zinc/04/45/55/676044555.db2.gz LNPIEWRTIUIPHL-HNNXBMFYSA-N 2 1 353.417 1.634 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261783052 672671562 /nfs/dbraw/zinc/67/15/62/672671562.db2.gz QFXYTHZRSFADEB-KRWDZBQOSA-N 3 1 351.539 1.090 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262806855 672851340 /nfs/dbraw/zinc/85/13/40/672851340.db2.gz SJPQRBPXRMULNV-LUXYFRNMSA-N 2 1 354.564 1.792 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CS(C)(=O)=O)cc1 ZINC000264076463 672900317 /nfs/dbraw/zinc/90/03/17/672900317.db2.gz FXPKLIRCIXZVHA-INIZCTEOSA-N 2 1 352.504 1.120 20 30 FDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])NCCc1cccs1 ZINC000303974697 676543959 /nfs/dbraw/zinc/54/39/59/676543959.db2.gz IFXOZXWMBBMGGZ-OAHLLOKOSA-N 2 1 351.520 1.138 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472613 676868238 /nfs/dbraw/zinc/86/82/38/676868238.db2.gz LTKWTTUYLDRSCD-HKUYNNGSSA-N 2 1 350.551 1.900 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965233 677531896 /nfs/dbraw/zinc/53/18/96/677531896.db2.gz WZAFFHGRULJRRO-DFEOGRTESA-N 2 1 350.507 1.520 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965233 677531898 /nfs/dbraw/zinc/53/18/98/677531898.db2.gz WZAFFHGRULJRRO-DFEOGRTESA-N 2 1 350.507 1.520 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)CC#N ZINC000451147768 682827742 /nfs/dbraw/zinc/82/77/42/682827742.db2.gz SLGRUTBBJAXMHO-MRXNPFEDSA-N 2 1 358.552 1.604 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)CC#N ZINC000451147768 682827746 /nfs/dbraw/zinc/82/77/46/682827746.db2.gz SLGRUTBBJAXMHO-MRXNPFEDSA-N 2 1 358.552 1.604 20 30 FDEDMP C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000459046718 684361163 /nfs/dbraw/zinc/36/11/63/684361163.db2.gz SGNIZIHRKZNYQE-KURKYZTESA-N 2 1 352.523 1.778 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000480570651 686190509 /nfs/dbraw/zinc/19/05/09/686190509.db2.gz WGVSMYYBLXNHJM-MSOLQXFVSA-N 2 1 352.523 1.393 20 30 FDEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000328654626 771464773 /nfs/dbraw/zinc/46/47/73/771464773.db2.gz LYOBSTHRSKDOKX-UHFFFAOYSA-N 2 1 365.522 1.901 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC000971782486 779073015 /nfs/dbraw/zinc/07/30/15/779073015.db2.gz WXEZTHCDBGBGIJ-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC000971782486 779073022 /nfs/dbraw/zinc/07/30/22/779073022.db2.gz WXEZTHCDBGBGIJ-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC000971782486 779073029 /nfs/dbraw/zinc/07/30/29/779073029.db2.gz WXEZTHCDBGBGIJ-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC000971782486 779073035 /nfs/dbraw/zinc/07/30/35/779073035.db2.gz WXEZTHCDBGBGIJ-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NCCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000277280049 781310148 /nfs/dbraw/zinc/31/01/48/781310148.db2.gz JZDNGCFPSAQNGO-HNNXBMFYSA-N 2 1 364.490 1.609 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932711 794451421 /nfs/dbraw/zinc/45/14/21/794451421.db2.gz IUICKFUMMVGNLZ-KZNAEPCWSA-N 2 1 366.550 1.483 20 30 FDEDMP C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008181 794893956 /nfs/dbraw/zinc/89/39/56/794893956.db2.gz TUGQSRKCSHQDPC-BPLDGKMQSA-N 2 1 358.324 1.921 20 30 FDEDMP C#CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001087430700 807135486 /nfs/dbraw/zinc/13/54/86/807135486.db2.gz CVAGCJMHIRXTOU-VBSBHUPXSA-N 2 1 355.482 1.313 20 30 FDEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000424139963 815316324 /nfs/dbraw/zinc/31/63/24/815316324.db2.gz ATKYGPYXGLKSAB-NVXWUHKLSA-N 2 1 357.458 1.344 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000664016956 810165633 /nfs/dbraw/zinc/16/56/33/810165633.db2.gz TWDXVFQLEFOHRU-GOSISDBHSA-N 2 1 350.507 1.268 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262020381 811369686 /nfs/dbraw/zinc/36/96/86/811369686.db2.gz YPJNSCSMFDSLJN-KDOFPFPSSA-N 2 1 367.501 1.723 20 30 FDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COc2ccccc2C#N)CC1 ZINC000517652693 817524428 /nfs/dbraw/zinc/52/44/28/817524428.db2.gz QBHPYJDKPSQMKP-UHFFFAOYSA-N 2 1 351.410 1.723 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)cn3)[C@@H]2CC)CC1 ZINC001087840092 822558714 /nfs/dbraw/zinc/55/87/14/822558714.db2.gz HMEPJDHSCWEKIX-VQTJNVASSA-N 2 1 369.513 1.599 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)cn3)[C@@H]2CC)CC1 ZINC001087840092 822558717 /nfs/dbraw/zinc/55/87/17/822558717.db2.gz HMEPJDHSCWEKIX-VQTJNVASSA-N 2 1 369.513 1.599 20 30 FDEDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329534369 824861345 /nfs/dbraw/zinc/86/13/45/824861345.db2.gz YQGABDXLGBMUDA-FUHWJXTLSA-N 2 1 362.522 1.745 20 30 FDEDMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329534369 824861353 /nfs/dbraw/zinc/86/13/53/824861353.db2.gz YQGABDXLGBMUDA-FUHWJXTLSA-N 2 1 362.522 1.745 20 30 FDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC[C@@H]21 ZINC000330221158 825739583 /nfs/dbraw/zinc/73/95/83/825739583.db2.gz LJCWABDVBZYLOK-LULLPPNCSA-N 2 1 364.534 1.694 20 30 FDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000526055503 828819613 /nfs/dbraw/zinc/81/96/13/828819613.db2.gz PRVBGXWDUFZCFD-ZACQAIPSSA-N 2 1 362.518 1.759 20 30 FDEDMP CC#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001088234496 827598528 /nfs/dbraw/zinc/59/85/28/827598528.db2.gz UFFLDFDMVBMGOY-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001088234496 827598533 /nfs/dbraw/zinc/59/85/33/827598533.db2.gz UFFLDFDMVBMGOY-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001088234496 827598534 /nfs/dbraw/zinc/59/85/34/827598534.db2.gz UFFLDFDMVBMGOY-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001029767194 828030067 /nfs/dbraw/zinc/03/00/67/828030067.db2.gz LYXVOEGKVWFFCW-LSTHTHJFSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001029767194 828030070 /nfs/dbraw/zinc/03/00/70/828030070.db2.gz LYXVOEGKVWFFCW-LSTHTHJFSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001029767194 828030075 /nfs/dbraw/zinc/03/00/75/828030075.db2.gz LYXVOEGKVWFFCW-LSTHTHJFSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001029767194 828030078 /nfs/dbraw/zinc/03/00/78/828030078.db2.gz LYXVOEGKVWFFCW-LSTHTHJFSA-N 2 1 370.497 1.558 20 30 FDEDMP C#CCN(C(=O)N[C@H]1CCC[N@H+]2CCSC[C@@H]12)C1CC[NH+](C)CC1 ZINC000925168450 828304115 /nfs/dbraw/zinc/30/41/15/828304115.db2.gz BBUKZURJUBUZLB-IRXDYDNUSA-N 2 1 350.532 1.305 20 30 FDEDMP C[N@H+]1CCC[C@@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406536 829389334 /nfs/dbraw/zinc/38/93/34/829389334.db2.gz ONNAMEJBBWOKTC-APWZRJJASA-N 2 1 351.450 1.702 20 30 FDEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406536 829389342 /nfs/dbraw/zinc/38/93/42/829389342.db2.gz ONNAMEJBBWOKTC-APWZRJJASA-N 2 1 351.450 1.702 20 30 FDEDMP C[N@H+]1CCC[C@@H]2C[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406536 829389354 /nfs/dbraw/zinc/38/93/54/829389354.db2.gz ONNAMEJBBWOKTC-APWZRJJASA-N 2 1 351.450 1.702 20 30 FDEDMP C[NH+]1CCC[C@@H]2C[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406536 829389367 /nfs/dbraw/zinc/38/93/67/829389367.db2.gz ONNAMEJBBWOKTC-APWZRJJASA-N 2 1 351.450 1.702 20 30 FDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406536 829389376 /nfs/dbraw/zinc/38/93/76/829389376.db2.gz ONNAMEJBBWOKTC-APWZRJJASA-N 2 1 351.450 1.702 20 30 FDEDMP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262004899 837388242 /nfs/dbraw/zinc/38/82/42/837388242.db2.gz DVPPMKFAJQMUCA-INIZCTEOSA-N 2 1 369.473 1.033 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)C1=O ZINC001088791943 844375290 /nfs/dbraw/zinc/37/52/90/844375290.db2.gz LLKLRQOULPOAEK-IXDOHACOSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)C1=O ZINC001088791943 844375300 /nfs/dbraw/zinc/37/53/00/844375300.db2.gz LLKLRQOULPOAEK-IXDOHACOSA-N 2 1 362.518 1.227 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637623 842272967 /nfs/dbraw/zinc/27/29/67/842272967.db2.gz STTLYDMMCJTHRY-RMVXJAJNSA-N 2 1 361.530 1.460 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668600 843824958 /nfs/dbraw/zinc/82/49/58/843824958.db2.gz LGZIEMMWJPAERO-VURPSTOHSA-N 2 1 363.546 1.708 20 30 FDEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083524197 846258302 /nfs/dbraw/zinc/25/83/02/846258302.db2.gz LWHDSRMCNQUQAC-ZCNNSNEGSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083524197 846258317 /nfs/dbraw/zinc/25/83/17/846258317.db2.gz LWHDSRMCNQUQAC-ZCNNSNEGSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083524197 846258334 /nfs/dbraw/zinc/25/83/34/846258334.db2.gz LWHDSRMCNQUQAC-ZCNNSNEGSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083524197 846258348 /nfs/dbraw/zinc/25/83/48/846258348.db2.gz LWHDSRMCNQUQAC-ZCNNSNEGSA-N 2 1 370.497 1.482 20 30 FDEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3OC)C[C@H]21)[NH+](C)C ZINC001076253571 847703040 /nfs/dbraw/zinc/70/30/40/847703040.db2.gz MHZLKIJJPFJGKF-YTQUADARSA-N 2 1 370.497 1.940 20 30 FDEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)C[C@H]21)[NH+](C)C ZINC001076253571 847703050 /nfs/dbraw/zinc/70/30/50/847703050.db2.gz MHZLKIJJPFJGKF-YTQUADARSA-N 2 1 370.497 1.940 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001076569471 848466995 /nfs/dbraw/zinc/46/69/95/848466995.db2.gz YEYOXVDAHXDJCU-CMKODMSKSA-N 2 1 355.457 1.662 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001076569471 848467001 /nfs/dbraw/zinc/46/70/01/848467001.db2.gz YEYOXVDAHXDJCU-CMKODMSKSA-N 2 1 355.457 1.662 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001076569471 848467006 /nfs/dbraw/zinc/46/70/06/848467006.db2.gz YEYOXVDAHXDJCU-CMKODMSKSA-N 2 1 355.457 1.662 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001076569471 848467013 /nfs/dbraw/zinc/46/70/13/848467013.db2.gz YEYOXVDAHXDJCU-CMKODMSKSA-N 2 1 355.457 1.662 20 30 FDEDMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000911922326 859112304 /nfs/dbraw/zinc/11/23/04/859112304.db2.gz XCBNRPNSNRVLHN-QUCCMNQESA-N 2 1 356.470 1.094 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001033183747 881686731 /nfs/dbraw/zinc/68/67/31/881686731.db2.gz FEOMBQMGNJYVES-YZGWKJHDSA-N 2 1 355.482 1.290 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001033183747 881686737 /nfs/dbraw/zinc/68/67/37/881686737.db2.gz FEOMBQMGNJYVES-YZGWKJHDSA-N 2 1 355.482 1.290 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CC(C)(C)CO3)[C@@H]2C)CC1 ZINC001089059754 866388119 /nfs/dbraw/zinc/38/81/19/866388119.db2.gz ZGDRLZFXYFWKHS-QRQLOZEOSA-N 2 1 361.530 1.726 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)CC1 ZINC001089060176 866390292 /nfs/dbraw/zinc/39/02/92/866390292.db2.gz XRBKGPXNDHLDTG-UTKZUKDTSA-N 2 1 364.493 1.982 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000914112893 870829594 /nfs/dbraw/zinc/82/95/94/870829594.db2.gz WSLAVXCZNJSNOD-UHFFFAOYSA-N 2 1 369.513 1.205 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000922297924 877403766 /nfs/dbraw/zinc/40/37/66/877403766.db2.gz CWTGKCVOHCQFRN-WIYYLYMNSA-N 2 1 357.498 1.996 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000922297924 877403767 /nfs/dbraw/zinc/40/37/67/877403767.db2.gz CWTGKCVOHCQFRN-WIYYLYMNSA-N 2 1 357.498 1.996 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103228 885699113 /nfs/dbraw/zinc/69/91/13/885699113.db2.gz HNDYCYOCPDZYBE-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103228 885699121 /nfs/dbraw/zinc/69/91/21/885699121.db2.gz HNDYCYOCPDZYBE-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370087 885924370 /nfs/dbraw/zinc/92/43/70/885924370.db2.gz HCXDLBYIDKZCFK-OTWHNJEPSA-N 2 1 365.518 1.126 20 30 FDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370087 885924376 /nfs/dbraw/zinc/92/43/76/885924376.db2.gz HCXDLBYIDKZCFK-OTWHNJEPSA-N 2 1 365.518 1.126 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3OC)C2)CC[N@@H+]1C ZINC001031684326 887422741 /nfs/dbraw/zinc/42/27/41/887422741.db2.gz KZNYANJWZVMQRQ-RBUKOAKNSA-N 2 1 370.497 1.845 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cc(C#N)ccc3OC)C2)CC[N@H+]1C ZINC001031684326 887422745 /nfs/dbraw/zinc/42/27/45/887422745.db2.gz KZNYANJWZVMQRQ-RBUKOAKNSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CCN(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000923356435 889000189 /nfs/dbraw/zinc/00/01/89/889000189.db2.gz RTZOLLOLFUNIKX-FQEVSTJZSA-N 2 1 354.498 2.000 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923390885 889082432 /nfs/dbraw/zinc/08/24/32/889082432.db2.gz YWFBGJWSKFJUNP-PNYFIKQUSA-N 2 1 359.470 1.516 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@H]3CCCN3C)n[nH]2)[C@H](OC)C1 ZINC001212303806 889992269 /nfs/dbraw/zinc/99/22/69/889992269.db2.gz NARRHAGGSJRVEH-KZNAEPCWSA-N 2 1 361.490 1.572 20 30 FDEDMP C=CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107511 896967206 /nfs/dbraw/zinc/96/72/06/896967206.db2.gz SEQFEYQJJLXGQK-NZSAHSFTSA-N 2 1 371.529 1.782 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142854 901952069 /nfs/dbraw/zinc/95/20/69/901952069.db2.gz XYIMRLSPDRNPNM-NHCUHLMSSA-N 2 1 371.525 1.978 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240990 902191404 /nfs/dbraw/zinc/19/14/04/902191404.db2.gz IWWPTBCVTZIDRF-GBESFXJTSA-N 2 1 359.514 1.432 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245970 902255496 /nfs/dbraw/zinc/25/54/96/902255496.db2.gz MGUOUAORLWYQKD-RBUKOAKNSA-N 2 1 361.530 1.986 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710373 903120643 /nfs/dbraw/zinc/12/06/43/903120643.db2.gz FPHFNSPHZFIGKG-JEBQAFNWSA-N 2 1 358.511 1.898 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710373 903120650 /nfs/dbraw/zinc/12/06/50/903120650.db2.gz FPHFNSPHZFIGKG-JEBQAFNWSA-N 2 1 358.511 1.898 20 30 FDEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448349 904965748 /nfs/dbraw/zinc/96/57/48/904965748.db2.gz GZYPNGGXLNJDPJ-SOAMZJECSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448349 904965751 /nfs/dbraw/zinc/96/57/51/904965751.db2.gz GZYPNGGXLNJDPJ-SOAMZJECSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448349 904965757 /nfs/dbraw/zinc/96/57/57/904965757.db2.gz GZYPNGGXLNJDPJ-SOAMZJECSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448349 904965759 /nfs/dbraw/zinc/96/57/59/904965759.db2.gz GZYPNGGXLNJDPJ-SOAMZJECSA-N 2 1 365.518 1.269 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549888 905499666 /nfs/dbraw/zinc/49/96/66/905499666.db2.gz JKCXPUSYQHKAJH-WIYYLYMNSA-N 2 1 361.530 1.729 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549888 905499673 /nfs/dbraw/zinc/49/96/73/905499673.db2.gz JKCXPUSYQHKAJH-WIYYLYMNSA-N 2 1 361.530 1.729 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+]3CCC(C)(C)C3)CCC[C@@H]12 ZINC001107549888 905499682 /nfs/dbraw/zinc/49/96/82/905499682.db2.gz JKCXPUSYQHKAJH-WIYYLYMNSA-N 2 1 361.530 1.729 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)cc3)C[C@H]2C)CC1 ZINC001080997440 906971423 /nfs/dbraw/zinc/97/14/23/906971423.db2.gz DFKXTUJPIVAFJF-DYESRHJHSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001080998081 906973644 /nfs/dbraw/zinc/97/36/44/906973644.db2.gz RMJZTXAZFFZEBG-QWFCFKBJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001081168015 907288733 /nfs/dbraw/zinc/28/87/33/907288733.db2.gz CLAPGHSLVRJQEB-ZCNNSNEGSA-N 2 1 355.482 1.313 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001081168015 907288756 /nfs/dbraw/zinc/28/87/56/907288756.db2.gz CLAPGHSLVRJQEB-ZCNNSNEGSA-N 2 1 355.482 1.313 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082447624 907809017 /nfs/dbraw/zinc/80/90/17/907809017.db2.gz HUMBCEJVNQIZNR-LZQZEXGQSA-N 2 1 356.470 1.620 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001082568099 908706398 /nfs/dbraw/zinc/70/63/98/908706398.db2.gz XINQRASWTBSATI-UIFIKXQLSA-N 2 1 368.525 1.787 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(N(C)C)c2)C1 ZINC001082568099 908706408 /nfs/dbraw/zinc/70/64/08/908706408.db2.gz XINQRASWTBSATI-UIFIKXQLSA-N 2 1 368.525 1.787 20 30 FDEDMP C=C(C)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001127990750 909390187 /nfs/dbraw/zinc/39/01/87/909390187.db2.gz JQRZMXYTDIGTDT-BZUAXINKSA-N 2 1 360.506 1.105 20 30 FDEDMP C=C(C)C[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001127990750 909390204 /nfs/dbraw/zinc/39/02/04/909390204.db2.gz JQRZMXYTDIGTDT-BZUAXINKSA-N 2 1 360.506 1.105 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082934011 910989438 /nfs/dbraw/zinc/98/94/38/910989438.db2.gz TWFKRQFSIACKNP-LZQZEXGQSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082934011 910989444 /nfs/dbraw/zinc/98/94/44/910989444.db2.gz TWFKRQFSIACKNP-LZQZEXGQSA-N 2 1 356.470 1.215 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675546 916048118 /nfs/dbraw/zinc/04/81/18/916048118.db2.gz NBNBBKVPGZUKLA-MXEMCNAFSA-N 2 1 351.494 1.888 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675546 916048142 /nfs/dbraw/zinc/04/81/42/916048142.db2.gz NBNBBKVPGZUKLA-MXEMCNAFSA-N 2 1 351.494 1.888 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675546 916048161 /nfs/dbraw/zinc/04/81/61/916048161.db2.gz NBNBBKVPGZUKLA-MXEMCNAFSA-N 2 1 351.494 1.888 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000730103685 916134593 /nfs/dbraw/zinc/13/45/93/916134593.db2.gz BMLXUEMHDZSDGP-NRFANRHFSA-N 2 1 368.525 1.721 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000730103685 916134598 /nfs/dbraw/zinc/13/45/98/916134598.db2.gz BMLXUEMHDZSDGP-NRFANRHFSA-N 2 1 368.525 1.721 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084773499 917027215 /nfs/dbraw/zinc/02/72/15/917027215.db2.gz SAIYYGHENFMMKK-XUVXKRRUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084773499 917027230 /nfs/dbraw/zinc/02/72/30/917027230.db2.gz SAIYYGHENFMMKK-XUVXKRRUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084773499 917027240 /nfs/dbraw/zinc/02/72/40/917027240.db2.gz SAIYYGHENFMMKK-XUVXKRRUSA-N 2 1 352.482 1.933 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957567 918839891 /nfs/dbraw/zinc/83/98/91/918839891.db2.gz HFPNSLLUGGUHGP-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957567 918839897 /nfs/dbraw/zinc/83/98/97/918839897.db2.gz HFPNSLLUGGUHGP-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957567 918839907 /nfs/dbraw/zinc/83/99/07/918839907.db2.gz HFPNSLLUGGUHGP-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000732277699 919297634 /nfs/dbraw/zinc/29/76/34/919297634.db2.gz MVHGMKAHVXCVPE-UHFFFAOYSA-N 2 1 368.525 1.756 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993105 919366282 /nfs/dbraw/zinc/36/62/82/919366282.db2.gz MEMZUEVTYGGYHZ-DXWXDBEXSA-N 2 1 359.514 1.739 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993105 919366302 /nfs/dbraw/zinc/36/63/02/919366302.db2.gz MEMZUEVTYGGYHZ-DXWXDBEXSA-N 2 1 359.514 1.739 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993105 919366319 /nfs/dbraw/zinc/36/63/19/919366319.db2.gz MEMZUEVTYGGYHZ-DXWXDBEXSA-N 2 1 359.514 1.739 20 30 FDEDMP CC#CCN1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326815 926155212 /nfs/dbraw/zinc/15/52/12/926155212.db2.gz MEDWXTTXKLFHJF-MSOLQXFVSA-N 2 1 360.506 1.155 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001086400745 927058956 /nfs/dbraw/zinc/05/89/56/927058956.db2.gz VOAGGGHFYYTZKZ-UTRMSSBJSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001086400745 927058968 /nfs/dbraw/zinc/05/89/68/927058968.db2.gz VOAGGGHFYYTZKZ-UTRMSSBJSA-N 2 1 356.470 1.262 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433728 938423605 /nfs/dbraw/zinc/42/36/05/938423605.db2.gz OOYYAJYXIJWTRN-KSZLIROESA-N 2 1 360.506 1.318 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433728 938423606 /nfs/dbraw/zinc/42/36/06/938423606.db2.gz OOYYAJYXIJWTRN-KSZLIROESA-N 2 1 360.506 1.318 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433728 938423610 /nfs/dbraw/zinc/42/36/10/938423610.db2.gz OOYYAJYXIJWTRN-KSZLIROESA-N 2 1 360.506 1.318 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460256 938435787 /nfs/dbraw/zinc/43/57/87/938435787.db2.gz HSOCFRRCGQKAKC-MSOLQXFVSA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460256 938435790 /nfs/dbraw/zinc/43/57/90/938435790.db2.gz HSOCFRRCGQKAKC-MSOLQXFVSA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460256 938435791 /nfs/dbraw/zinc/43/57/91/938435791.db2.gz HSOCFRRCGQKAKC-MSOLQXFVSA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129857851 938529962 /nfs/dbraw/zinc/52/99/62/938529962.db2.gz HMVJSYBDSKWRDK-MLHJIOFPSA-N 2 1 360.506 1.316 20 30 FDEDMP 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ZINC000815144045 941791335 /nfs/dbraw/zinc/79/13/35/941791335.db2.gz RTKDOUGCPNOYJN-VXKWHMMOSA-N 2 1 358.574 1.825 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001144417732 949063476 /nfs/dbraw/zinc/06/34/76/949063476.db2.gz HSEZTBLLCLFNHV-NRFANRHFSA-N 2 1 357.498 1.780 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ocnc3C)C[C@@]2(C)C1 ZINC001091749942 952789324 /nfs/dbraw/zinc/78/93/24/952789324.db2.gz UHLRQKQXBKGZAL-UWVAXJGDSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ocnc3C)C[C@@]2(C)C1 ZINC001091749942 952789326 /nfs/dbraw/zinc/78/93/26/952789326.db2.gz UHLRQKQXBKGZAL-UWVAXJGDSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ocnc3C)C[C@@]2(C)C1 ZINC001091749942 952789330 /nfs/dbraw/zinc/78/93/30/952789330.db2.gz UHLRQKQXBKGZAL-UWVAXJGDSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ocnc3C)C[C@@]2(C)C1 ZINC001091749942 952789333 /nfs/dbraw/zinc/78/93/33/952789333.db2.gz UHLRQKQXBKGZAL-UWVAXJGDSA-N 2 1 356.470 1.361 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982439 952995389 /nfs/dbraw/zinc/99/53/89/952995389.db2.gz JZOBYWCDAJKNKV-XUVXKRRUSA-N 2 1 371.529 1.897 20 30 FDEDMP C#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034763 953995552 /nfs/dbraw/zinc/99/55/52/953995552.db2.gz LHBGPVZFBJEUHF-JBPLPALLSA-N 2 1 351.494 1.745 20 30 FDEDMP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034763 953995554 /nfs/dbraw/zinc/99/55/54/953995554.db2.gz LHBGPVZFBJEUHF-JBPLPALLSA-N 2 1 351.494 1.745 20 30 FDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@]2(C)C1 ZINC001092034763 953995560 /nfs/dbraw/zinc/99/55/60/953995560.db2.gz LHBGPVZFBJEUHF-JBPLPALLSA-N 2 1 351.494 1.745 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@H](C)C2)cc1C#N ZINC001092503651 955274627 /nfs/dbraw/zinc/27/46/27/955274627.db2.gz CAIRMQGVIPYHAO-ATZDWAIDSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@H](C)C2)cc1C#N ZINC001092503651 955274632 /nfs/dbraw/zinc/27/46/32/955274632.db2.gz CAIRMQGVIPYHAO-ATZDWAIDSA-N 2 1 370.497 1.845 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522407 955314194 /nfs/dbraw/zinc/31/41/94/955314194.db2.gz OQGHGPIAORCPCL-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522407 955314204 /nfs/dbraw/zinc/31/42/04/955314204.db2.gz OQGHGPIAORCPCL-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092522407 955314206 /nfs/dbraw/zinc/31/42/06/955314206.db2.gz OQGHGPIAORCPCL-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092522407 955314217 /nfs/dbraw/zinc/31/42/17/955314217.db2.gz OQGHGPIAORCPCL-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2oc(C)nc2C)C[C@H]1C ZINC001092689585 956196121 /nfs/dbraw/zinc/19/61/21/956196121.db2.gz NBQQHISEESPASX-OLMNPRSZSA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2oc(C)nc2C)C[C@H]1C ZINC001092689585 956196124 /nfs/dbraw/zinc/19/61/24/956196124.db2.gz NBQQHISEESPASX-OLMNPRSZSA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1C ZINC001092689585 956196127 /nfs/dbraw/zinc/19/61/27/956196127.db2.gz NBQQHISEESPASX-OLMNPRSZSA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2oc(C)nc2C)C[C@H]1C ZINC001092689585 956196130 /nfs/dbraw/zinc/19/61/30/956196130.db2.gz NBQQHISEESPASX-OLMNPRSZSA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2ccns2)C[C@H]1C ZINC001092690032 956199620 /nfs/dbraw/zinc/19/96/20/956199620.db2.gz XKCSGSCXMOGGLZ-NUJGCVRESA-N 2 1 360.527 1.467 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2ccns2)C[C@H]1C ZINC001092690032 956199627 /nfs/dbraw/zinc/19/96/27/956199627.db2.gz XKCSGSCXMOGGLZ-NUJGCVRESA-N 2 1 360.527 1.467 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2ccns2)C[C@H]1C ZINC001092690032 956199637 /nfs/dbraw/zinc/19/96/37/956199637.db2.gz XKCSGSCXMOGGLZ-NUJGCVRESA-N 2 1 360.527 1.467 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2ccns2)C[C@H]1C ZINC001092690032 956199653 /nfs/dbraw/zinc/19/96/53/956199653.db2.gz XKCSGSCXMOGGLZ-NUJGCVRESA-N 2 1 360.527 1.467 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193038 957750142 /nfs/dbraw/zinc/75/01/42/957750142.db2.gz ASLBVXOOUCBHLN-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193038 957750149 /nfs/dbraw/zinc/75/01/49/957750149.db2.gz ASLBVXOOUCBHLN-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193038 957750153 /nfs/dbraw/zinc/75/01/53/957750153.db2.gz ASLBVXOOUCBHLN-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193038 957750158 /nfs/dbraw/zinc/75/01/58/957750158.db2.gz ASLBVXOOUCBHLN-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C(C)C)C[C@H]1O ZINC001093468356 958218299 /nfs/dbraw/zinc/21/82/99/958218299.db2.gz ZGSUXCLREAZCHX-ZJSJBZJDSA-N 2 1 363.546 1.870 20 30 FDEDMP C[NH+](C)CCN1CC[NH+]([C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172980984 961864384 /nfs/dbraw/zinc/86/43/84/961864384.db2.gz RPMHKDJUTKWZTO-IRXDYDNUSA-N 2 1 365.522 1.457 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979258 966706471 /nfs/dbraw/zinc/70/64/71/966706471.db2.gz NAPAPIAYHODRPW-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979258 966706477 /nfs/dbraw/zinc/70/64/77/966706477.db2.gz NAPAPIAYHODRPW-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189136602 966788148 /nfs/dbraw/zinc/78/81/48/966788148.db2.gz ZRKDZWCKLIZDCZ-JENIJYKNSA-N 2 1 358.486 1.489 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189136602 966788153 /nfs/dbraw/zinc/78/81/53/966788153.db2.gz ZRKDZWCKLIZDCZ-JENIJYKNSA-N 2 1 358.486 1.489 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)cc1C#N ZINC001190351378 967774576 /nfs/dbraw/zinc/77/45/76/967774576.db2.gz WYERKOSAIGJUEM-PKOBYXMFSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C(C)C)[C@@H]3C2)cc1C#N ZINC001190351378 967774589 /nfs/dbraw/zinc/77/45/89/967774589.db2.gz WYERKOSAIGJUEM-PKOBYXMFSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]3C2)cc1C#N ZINC001190351378 967774596 /nfs/dbraw/zinc/77/45/96/967774596.db2.gz WYERKOSAIGJUEM-PKOBYXMFSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]3C2)cc1C#N ZINC001190351378 967774601 /nfs/dbraw/zinc/77/46/01/967774601.db2.gz WYERKOSAIGJUEM-PKOBYXMFSA-N 2 1 370.497 1.940 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000775805314 972609814 /nfs/dbraw/zinc/60/98/14/972609814.db2.gz FULGHRHJWYMRJV-SFTDATJTSA-N 2 1 369.509 1.846 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000775805311 972610532 /nfs/dbraw/zinc/61/05/32/972610532.db2.gz FULGHRHJWYMRJV-NHCUHLMSSA-N 2 1 369.509 1.846 20 30 FDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000863551832 973008508 /nfs/dbraw/zinc/00/85/08/973008508.db2.gz ROGJXMSUJBODMK-SFHVURJKSA-N 2 1 363.421 1.977 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000867964875 977149061 /nfs/dbraw/zinc/14/90/61/977149061.db2.gz URXVFKUYTQZGNI-LJQANCHMSA-N 2 1 362.437 1.188 20 30 FDEDMP C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000880481731 979221852 /nfs/dbraw/zinc/22/18/52/979221852.db2.gz ZWXAGXIMDLWRRG-AZUAARDMSA-N 2 1 369.509 1.616 20 30 FDEDMP C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000880481731 979221857 /nfs/dbraw/zinc/22/18/57/979221857.db2.gz ZWXAGXIMDLWRRG-AZUAARDMSA-N 2 1 369.509 1.616 20 30 FDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1CCc2ccccc2C1 ZINC000884205099 982981009 /nfs/dbraw/zinc/98/10/09/982981009.db2.gz MMEDHNVHBRGZPG-SYBQKDCBSA-N 2 1 352.482 1.689 20 30 FDEDMP C=CCNC(=O)Cc1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872180667 987480391 /nfs/dbraw/zinc/48/03/91/987480391.db2.gz VKXLOZTVWUZHOQ-UHFFFAOYSA-N 2 1 369.469 1.450 20 30 FDEDMP C[NH+](C)C1(C)CCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000872330123 987605866 /nfs/dbraw/zinc/60/58/66/987605866.db2.gz IBJPAEAHPGYJJG-UHFFFAOYSA-N 2 1 355.552 1.423 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000876780731 992905935 /nfs/dbraw/zinc/90/59/35/992905935.db2.gz AHEMCJFPEWSPHW-KRWDZBQOSA-N 2 1 366.893 1.403 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979321 992994499 /nfs/dbraw/zinc/99/44/99/992994499.db2.gz AZWLQJFVHGCURQ-PXNSSMCTSA-N 2 1 352.482 1.983 20 30 FDEDMP C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880264466 995767173 /nfs/dbraw/zinc/76/71/73/995767173.db2.gz WVPPFBPYDCRKNU-QFBILLFUSA-N 2 1 352.438 1.904 20 30 FDEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000887134469 996961031 /nfs/dbraw/zinc/96/10/31/996961031.db2.gz KFTVFOVWPCQKAH-QFBILLFUSA-N 2 1 352.438 1.904 20 30 FDEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000887134469 996961033 /nfs/dbraw/zinc/96/10/33/996961033.db2.gz KFTVFOVWPCQKAH-QFBILLFUSA-N 2 1 352.438 1.904 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](c1ccco1)N1CCCCC1 ZINC000264077760 997397654 /nfs/dbraw/zinc/39/76/54/997397654.db2.gz HUTXYSZQHKKDON-QGZVFWFLSA-N 2 1 363.506 1.433 20 30 FDEDMP CC[C@H](C)NC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264118665 997405487 /nfs/dbraw/zinc/40/54/87/997405487.db2.gz UFCDVNDXWZYYAK-HNNXBMFYSA-N 2 1 361.490 1.550 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000890363097 998914659 /nfs/dbraw/zinc/91/46/59/998914659.db2.gz KICWQPLQKKJRRE-WOJBJXKFSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000890363097 998914664 /nfs/dbraw/zinc/91/46/64/998914664.db2.gz KICWQPLQKKJRRE-WOJBJXKFSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000890363097 998914667 /nfs/dbraw/zinc/91/46/67/998914667.db2.gz KICWQPLQKKJRRE-WOJBJXKFSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000890363097 998914671 /nfs/dbraw/zinc/91/46/71/998914671.db2.gz KICWQPLQKKJRRE-WOJBJXKFSA-N 2 1 370.497 1.150 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1c2ccccc2OCC1=O ZINC000267451762 999339690 /nfs/dbraw/zinc/33/96/90/999339690.db2.gz RSBGKFZGBYNBDU-HNNXBMFYSA-N 2 1 359.474 1.191 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979757 1002742246 /nfs/dbraw/zinc/74/22/46/1002742246.db2.gz BVPNIUDYAMZBPP-TVFCKZIOSA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979757 1002742260 /nfs/dbraw/zinc/74/22/60/1002742260.db2.gz BVPNIUDYAMZBPP-TVFCKZIOSA-N 2 1 364.534 1.473 20 30 FDEDMP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000948929725 1002835679 /nfs/dbraw/zinc/83/56/79/1002835679.db2.gz RNFJCDSFTJHIDH-NSISKUIASA-N 2 1 357.498 1.997 20 30 FDEDMP C=CCC[NH+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000948929725 1002835703 /nfs/dbraw/zinc/83/57/03/1002835703.db2.gz RNFJCDSFTJHIDH-NSISKUIASA-N 2 1 357.498 1.997 20 30 FDEDMP C=CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929725 1002835721 /nfs/dbraw/zinc/83/57/21/1002835721.db2.gz RNFJCDSFTJHIDH-NSISKUIASA-N 2 1 357.498 1.997 20 30 FDEDMP C=CCC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929725 1002835736 /nfs/dbraw/zinc/83/57/36/1002835736.db2.gz RNFJCDSFTJHIDH-NSISKUIASA-N 2 1 357.498 1.997 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN(Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC000959975686 1009240927 /nfs/dbraw/zinc/24/09/27/1009240927.db2.gz UDNFGZHUKUFRBV-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[N@@H+]1C ZINC000959975686 1009240938 /nfs/dbraw/zinc/24/09/38/1009240938.db2.gz UDNFGZHUKUFRBV-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC000959975686 1009240948 /nfs/dbraw/zinc/24/09/48/1009240948.db2.gz UDNFGZHUKUFRBV-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000959975686 1009240958 /nfs/dbraw/zinc/24/09/58/1009240958.db2.gz UDNFGZHUKUFRBV-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000959975686 1009240969 /nfs/dbraw/zinc/24/09/69/1009240969.db2.gz UDNFGZHUKUFRBV-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2cccc(C#N)c2)O1 ZINC000960722174 1011254922 /nfs/dbraw/zinc/25/49/22/1011254922.db2.gz YUKGRIIHFIEUDD-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2cccc(C#N)c2)O1 ZINC000960722174 1011254940 /nfs/dbraw/zinc/25/49/40/1011254940.db2.gz YUKGRIIHFIEUDD-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cccc(C#N)c2)O1 ZINC000960722174 1011254958 /nfs/dbraw/zinc/25/49/58/1011254958.db2.gz YUKGRIIHFIEUDD-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cccc(C#N)c2)O1 ZINC000960722174 1011254972 /nfs/dbraw/zinc/25/49/72/1011254972.db2.gz YUKGRIIHFIEUDD-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000519647280 539495636 /nfs/dbraw/zinc/49/56/36/539495636.db2.gz SDBTYIWDQDKRKT-SFHVURJKSA-N 2 1 371.485 1.353 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528388987 539755265 /nfs/dbraw/zinc/75/52/65/539755265.db2.gz KJSAFZCUMUAXSL-PMACEKPBSA-N 2 1 372.513 1.398 20 30 FDEDMP C[C@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528511883 539764188 /nfs/dbraw/zinc/76/41/88/539764188.db2.gz WQKGKFPDBVMHEV-QFBILLFUSA-N 2 1 359.470 1.483 20 30 FDEDMP C[C@H]1COCC[N@H+]1C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528511883 539764192 /nfs/dbraw/zinc/76/41/92/539764192.db2.gz WQKGKFPDBVMHEV-QFBILLFUSA-N 2 1 359.470 1.483 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000551217805 543253544 /nfs/dbraw/zinc/25/35/44/543253544.db2.gz WTHKBVNJIANZNF-OKZBNKHCSA-N 2 1 364.534 1.400 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000553326668 543609749 /nfs/dbraw/zinc/60/97/49/543609749.db2.gz BIOPKOLLJVXTFO-HOTGVXAUSA-N 2 1 350.507 1.084 20 30 FDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCSCC#N)CC2)CC1 ZINC000074990574 522864024 /nfs/dbraw/zinc/86/40/24/522864024.db2.gz NVGIPBMZYYXKGP-UHFFFAOYSA-N 2 1 352.548 1.899 20 30 FDEDMP C[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052589837 523213517 /nfs/dbraw/zinc/21/35/17/523213517.db2.gz NBMJCUUXDAKLED-IBGZPJMESA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052589837 523213533 /nfs/dbraw/zinc/21/35/33/523213533.db2.gz NBMJCUUXDAKLED-IBGZPJMESA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052589837 523213542 /nfs/dbraw/zinc/21/35/42/523213542.db2.gz NBMJCUUXDAKLED-IBGZPJMESA-N 2 1 355.486 1.870 20 30 FDEDMP C[C@H]1C[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000136876212 524218733 /nfs/dbraw/zinc/21/87/33/524218733.db2.gz WZEHYKVHFUJECC-ICSRJNTNSA-N 2 1 373.545 1.524 20 30 FDEDMP C[C@H]1C[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000136876212 524218741 /nfs/dbraw/zinc/21/87/41/524218741.db2.gz WZEHYKVHFUJECC-ICSRJNTNSA-N 3 1 373.545 1.524 20 30 FDEDMP C[C@H]1C[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000136876212 524218754 /nfs/dbraw/zinc/21/87/54/524218754.db2.gz WZEHYKVHFUJECC-ICSRJNTNSA-N 3 1 373.545 1.524 20 30 FDEDMP CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CC[N@H+](C4CC4)C3)=[NH+]C[C@H]2C1 ZINC000089120491 524476692 /nfs/dbraw/zinc/47/66/92/524476692.db2.gz UTAXVMDSWBXRFU-HOCLYGCPSA-N 2 1 363.506 1.351 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1OCC(F)(F)F ZINC000264098892 537137445 /nfs/dbraw/zinc/13/74/45/537137445.db2.gz NJXUCHHWODHGCQ-CYBMUJFWSA-N 2 1 359.396 1.911 20 30 FDEDMP CC1CCN(C(=[NH2+])NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC1 ZINC000264106096 537137751 /nfs/dbraw/zinc/13/77/51/537137751.db2.gz NWJKZCQQGMYKDT-UHFFFAOYSA-N 2 1 357.502 1.621 20 30 FDEDMP CCN(CCC#N)C(=O)C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363636243 537263053 /nfs/dbraw/zinc/26/30/53/537263053.db2.gz YDNJFAGSAOEHCD-UHFFFAOYSA-N 2 1 358.490 1.756 20 30 FDEDMP CCN(CCC#N)C(=O)C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363636243 537263058 /nfs/dbraw/zinc/26/30/58/537263058.db2.gz YDNJFAGSAOEHCD-UHFFFAOYSA-N 2 1 358.490 1.756 20 30 FDEDMP C=CCN(C(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371833696 537833445 /nfs/dbraw/zinc/83/34/45/537833445.db2.gz CNDHSUMNDQCIFH-TZIWHRDSSA-N 2 1 370.541 1.911 20 30 FDEDMP C=CCN(C(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371833696 537833449 /nfs/dbraw/zinc/83/34/49/537833449.db2.gz CNDHSUMNDQCIFH-TZIWHRDSSA-N 2 1 370.541 1.911 20 30 FDEDMP COC(=O)C[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000585753453 551593580 /nfs/dbraw/zinc/59/35/80/551593580.db2.gz FMXCXCYDLQPAJX-ROUUACIJSA-N 2 1 364.486 1.825 20 30 FDEDMP CC[N@@H+](CCO)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593514358 552120833 /nfs/dbraw/zinc/12/08/33/552120833.db2.gz VKADMUIBAJGQBA-UHFFFAOYSA-N 2 1 373.501 1.136 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598597101 552913086 /nfs/dbraw/zinc/91/30/86/552913086.db2.gz VMGWUUZHQHRNGN-QGZVFWFLSA-N 2 1 350.507 1.163 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC000598739912 552929878 /nfs/dbraw/zinc/92/98/78/552929878.db2.gz BSKBDUPVGVIGPC-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC000598739912 552929880 /nfs/dbraw/zinc/92/98/80/552929880.db2.gz BSKBDUPVGVIGPC-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)cc1 ZINC000271943747 674398806 /nfs/dbraw/zinc/39/88/06/674398806.db2.gz MNWQEQLIKWAZDN-HNNXBMFYSA-N 2 1 352.504 1.369 20 30 FDEDMP Cn1c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)nc2cccc(Cl)c21 ZINC000274799459 674596262 /nfs/dbraw/zinc/59/62/62/674596262.db2.gz SDNFTMQFSISFOC-UHFFFAOYSA-N 2 1 364.881 1.353 20 30 FDEDMP C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083093972 671471095 /nfs/dbraw/zinc/47/10/95/671471095.db2.gz OHCQEVSZDCUTKF-GOEBONIOSA-N 2 1 361.559 1.896 20 30 FDEDMP C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083093972 671471097 /nfs/dbraw/zinc/47/10/97/671471097.db2.gz OHCQEVSZDCUTKF-GOEBONIOSA-N 2 1 361.559 1.896 20 30 FDEDMP C[C@H](CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)[N@@H+](C)C1CC1 ZINC000089120790 671492128 /nfs/dbraw/zinc/49/21/28/671492128.db2.gz VGGWQIWNUSIGIT-UKRRQHHQSA-N 2 1 351.495 1.350 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CON=C(N)C2CCCCC2)C1 ZINC000178148674 672136722 /nfs/dbraw/zinc/13/67/22/672136722.db2.gz SPQOQYXUIYXUKZ-MRXNPFEDSA-N 2 1 354.495 1.329 20 30 FDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCSC2(CCCCC2)C1 ZINC000261847289 672682400 /nfs/dbraw/zinc/68/24/00/672682400.db2.gz XMPUYVRKKOCGNS-MRXNPFEDSA-N 2 1 353.580 1.559 20 30 FDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCSC2(CCCCC2)C1 ZINC000261847288 672682541 /nfs/dbraw/zinc/68/25/41/672682541.db2.gz XMPUYVRKKOCGNS-INIZCTEOSA-N 2 1 353.580 1.559 20 30 FDEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCSC2(CCCCC2)C1 ZINC000261914669 672693094 /nfs/dbraw/zinc/69/30/94/672693094.db2.gz JRYGRBWHTLAIKW-KRWDZBQOSA-N 2 1 367.607 1.949 20 30 FDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262412975 672785399 /nfs/dbraw/zinc/78/53/99/672785399.db2.gz LUKAFDAPAICLQR-YYIAUSFCSA-N 2 1 352.523 1.322 20 30 FDEDMP [NH2+]=C(NC[C@H]1CCCS1(=O)=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262492301 672798434 /nfs/dbraw/zinc/79/84/34/672798434.db2.gz VGVZLPMXILDHEH-QGZVFWFLSA-N 2 1 364.515 1.133 20 30 FDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N(C)Cc1ccc2c(c1)OCO2 ZINC000262789320 672849841 /nfs/dbraw/zinc/84/98/41/672849841.db2.gz NPXJGZLMMJOBFK-SFHVURJKSA-N 2 1 364.515 1.860 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)cc1OC ZINC000267124060 673253944 /nfs/dbraw/zinc/25/39/44/673253944.db2.gz BGXPAIQDEZJVLS-QGZVFWFLSA-N 2 1 352.504 1.545 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(Br)ccc1F ZINC000303883493 676543549 /nfs/dbraw/zinc/54/35/49/676543549.db2.gz IPJPDEIOTIQQKM-UHFFFAOYSA-N 2 1 373.270 1.715 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1nc2c(s1)CCCC2 ZINC000305686403 676545016 /nfs/dbraw/zinc/54/50/16/676545016.db2.gz AKXFMWPFDSLSDN-UHFFFAOYSA-N 2 1 351.520 1.191 20 30 FDEDMP CCOc1ccc(Cl)cc1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305322402 676545092 /nfs/dbraw/zinc/54/50/92/676545092.db2.gz WRJXVQWOERSJQK-UHFFFAOYSA-N 2 1 368.909 1.908 20 30 FDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329810895 676657991 /nfs/dbraw/zinc/65/79/91/676657991.db2.gz RAFPKBCNBKRWOO-RKVPGOIHSA-N 2 1 350.507 1.474 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCS[C@@H]3COCC[C@@H]32)C1 ZINC000330176582 676676685 /nfs/dbraw/zinc/67/66/85/676676685.db2.gz KBMSALYEGBDZKS-IXDOHACOSA-N 2 1 371.547 1.506 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000469793326 684986379 /nfs/dbraw/zinc/98/63/79/684986379.db2.gz CXOWDEPZVBZNLX-ZACQAIPSSA-N 2 1 350.507 1.664 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000469793326 684986380 /nfs/dbraw/zinc/98/63/80/684986380.db2.gz CXOWDEPZVBZNLX-ZACQAIPSSA-N 2 1 350.507 1.664 20 30 FDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001104289696 773630020 /nfs/dbraw/zinc/63/00/20/773630020.db2.gz PGPOYLKQEPQLPU-GGPKGHCWSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001104305983 774437810 /nfs/dbraw/zinc/43/78/10/774437810.db2.gz DOIGLENPOLTFKF-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnoc2C)C1 ZINC001104305983 774437818 /nfs/dbraw/zinc/43/78/18/774437818.db2.gz DOIGLENPOLTFKF-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971561560 777629797 /nfs/dbraw/zinc/62/97/97/777629797.db2.gz XNPGNZOMYHTITF-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971561560 777629799 /nfs/dbraw/zinc/62/97/99/777629799.db2.gz XNPGNZOMYHTITF-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971561560 777629808 /nfs/dbraw/zinc/62/98/08/777629808.db2.gz XNPGNZOMYHTITF-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971561560 777629815 /nfs/dbraw/zinc/62/98/15/777629815.db2.gz XNPGNZOMYHTITF-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC000971561638 777630536 /nfs/dbraw/zinc/63/05/36/777630536.db2.gz YZLZCYDXGLBEBZ-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC000971561638 777630543 /nfs/dbraw/zinc/63/05/43/777630543.db2.gz YZLZCYDXGLBEBZ-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC000971561638 777630550 /nfs/dbraw/zinc/63/05/50/777630550.db2.gz YZLZCYDXGLBEBZ-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001026852430 800004808 /nfs/dbraw/zinc/00/48/08/800004808.db2.gz OAKSNIJUYPITQG-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659579 800085062 /nfs/dbraw/zinc/08/50/62/800085062.db2.gz NOXSEPCPKOWXSB-PWRODBHTSA-N 2 1 369.509 1.703 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659579 800085070 /nfs/dbraw/zinc/08/50/70/800085070.db2.gz NOXSEPCPKOWXSB-PWRODBHTSA-N 2 1 369.509 1.703 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001027465973 804353669 /nfs/dbraw/zinc/35/36/69/804353669.db2.gz YYDGMEYVIOAVDM-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001027465973 804353681 /nfs/dbraw/zinc/35/36/81/804353681.db2.gz YYDGMEYVIOAVDM-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001027465973 804353688 /nfs/dbraw/zinc/35/36/88/804353688.db2.gz YYDGMEYVIOAVDM-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001027465973 804353696 /nfs/dbraw/zinc/35/36/96/804353696.db2.gz YYDGMEYVIOAVDM-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C=CCN1CC[C@H](N2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1=O ZINC000981199769 807705670 /nfs/dbraw/zinc/70/56/70/807705670.db2.gz BNBNGCMYDKITNT-KSZLIROESA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1=O ZINC000981199769 807705676 /nfs/dbraw/zinc/70/56/76/807705676.db2.gz BNBNGCMYDKITNT-KSZLIROESA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1=O ZINC000981199769 807705680 /nfs/dbraw/zinc/70/56/80/807705680.db2.gz BNBNGCMYDKITNT-KSZLIROESA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1=O ZINC000981199769 807705688 /nfs/dbraw/zinc/70/56/88/807705688.db2.gz BNBNGCMYDKITNT-KSZLIROESA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1=O ZINC000981199769 807705697 /nfs/dbraw/zinc/70/56/97/807705697.db2.gz BNBNGCMYDKITNT-KSZLIROESA-N 2 1 362.518 1.038 20 30 FDEDMP C#CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC000981774632 808469189 /nfs/dbraw/zinc/46/91/89/808469189.db2.gz FJNGDGIUHBIWSD-MOPGFXCFSA-N 2 1 359.514 1.291 20 30 FDEDMP C#Cc1cccc(NC(=O)CNC(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)=[NH+]C)c1 ZINC000261962822 811355482 /nfs/dbraw/zinc/35/54/82/811355482.db2.gz KQIVEHFRWHBENU-RDTXWAMCSA-N 2 1 353.470 1.254 20 30 FDEDMP CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261961413 817801730 /nfs/dbraw/zinc/80/17/30/817801730.db2.gz KIBQBJQRAZIWNB-QFIXIFRTSA-N 2 1 356.514 1.858 20 30 FDEDMP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000329356792 824752499 /nfs/dbraw/zinc/75/24/99/824752499.db2.gz HBOLOWLSZVWYJJ-SFHVURJKSA-N 2 1 372.517 1.418 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992472 824954328 /nfs/dbraw/zinc/95/43/28/824954328.db2.gz XHGLPQPRUPWDDL-WSTZPKSXSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992472 824954334 /nfs/dbraw/zinc/95/43/34/824954334.db2.gz XHGLPQPRUPWDDL-WSTZPKSXSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992472 824954337 /nfs/dbraw/zinc/95/43/37/824954337.db2.gz XHGLPQPRUPWDDL-WSTZPKSXSA-N 2 1 359.514 1.433 20 30 FDEDMP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330031185 825606625 /nfs/dbraw/zinc/60/66/25/825606625.db2.gz SUXCPIPBTAYNQX-HNNXBMFYSA-N 2 1 360.462 1.638 20 30 FDEDMP COCC[N@H+]1CCC[C@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330031185 825606632 /nfs/dbraw/zinc/60/66/32/825606632.db2.gz SUXCPIPBTAYNQX-HNNXBMFYSA-N 2 1 360.462 1.638 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001088200142 827434076 /nfs/dbraw/zinc/43/40/76/827434076.db2.gz QTBBFKLTCIIODJ-AABGKKOBSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001088200142 827434078 /nfs/dbraw/zinc/43/40/78/827434078.db2.gz QTBBFKLTCIIODJ-AABGKKOBSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001088200142 827434083 /nfs/dbraw/zinc/43/40/83/827434083.db2.gz QTBBFKLTCIIODJ-AABGKKOBSA-N 2 1 352.482 1.790 20 30 FDEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000303986981 827952099 /nfs/dbraw/zinc/95/20/99/827952099.db2.gz VBCRTCSQRNQPCD-INIZCTEOSA-N 2 1 364.490 1.261 20 30 FDEDMP C#CCN(C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12)C1CC[NH+](C)CC1 ZINC000925168448 828303672 /nfs/dbraw/zinc/30/36/72/828303672.db2.gz BBUKZURJUBUZLB-IAGOWNOFSA-N 2 1 350.532 1.305 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)COc1ccccc1C#N ZINC000528427443 829399742 /nfs/dbraw/zinc/39/97/42/829399742.db2.gz YXEYJACGXIBBRH-RMJJICAUSA-N 2 1 359.470 1.481 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)COc1ccccc1C#N ZINC000528427443 829399754 /nfs/dbraw/zinc/39/97/54/829399754.db2.gz YXEYJACGXIBBRH-RMJJICAUSA-N 2 1 359.470 1.481 20 30 FDEDMP C#CCC[NH+]1CCN([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272050318 838425535 /nfs/dbraw/zinc/42/55/35/838425535.db2.gz UGAJXZOAUUNQEV-FPOVZHCZSA-N 2 1 368.525 1.407 20 30 FDEDMP C#CCC[NH+]1CCN([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272050318 838425543 /nfs/dbraw/zinc/42/55/43/838425543.db2.gz UGAJXZOAUUNQEV-FPOVZHCZSA-N 2 1 368.525 1.407 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642100 842303124 /nfs/dbraw/zinc/30/31/24/842303124.db2.gz HQNHDZKINYJOFP-IKVWTGGYSA-N 2 1 363.546 1.706 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H]2C)C1=O ZINC001088748845 842865444 /nfs/dbraw/zinc/86/54/44/842865444.db2.gz ZAGWECVJPVGOGF-FHLIZLRMSA-N 2 1 367.453 1.314 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672786 845214312 /nfs/dbraw/zinc/21/43/12/845214312.db2.gz DGPYXOGLRRXPTP-JYBIWHBTSA-N 2 1 351.535 1.869 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnccc4C)C[C@H]32)CC1 ZINC001076604860 848554929 /nfs/dbraw/zinc/55/49/29/848554929.db2.gz UUGJZSHMPJQGLF-PZJWPPBQSA-N 2 1 366.509 1.768 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669033976 860847353 /nfs/dbraw/zinc/84/73/53/860847353.db2.gz FAOYQXNBSCSCRA-ZACQAIPSSA-N 2 1 360.506 1.530 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001033183610 881684879 /nfs/dbraw/zinc/68/48/79/881684879.db2.gz COYXTHLHWVTOHI-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001033183610 881684885 /nfs/dbraw/zinc/68/48/85/881684885.db2.gz COYXTHLHWVTOHI-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083718958 873503321 /nfs/dbraw/zinc/50/33/21/873503321.db2.gz IGOAWNFDPPSYOL-ZCNNSNEGSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083718958 873503330 /nfs/dbraw/zinc/50/33/30/873503330.db2.gz IGOAWNFDPPSYOL-ZCNNSNEGSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083718958 873503336 /nfs/dbraw/zinc/50/33/36/873503336.db2.gz IGOAWNFDPPSYOL-ZCNNSNEGSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083718958 873503344 /nfs/dbraw/zinc/50/33/44/873503344.db2.gz IGOAWNFDPPSYOL-ZCNNSNEGSA-N 2 1 370.497 1.342 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001034272648 884063801 /nfs/dbraw/zinc/06/38/01/884063801.db2.gz NYTDMQITFJOTLT-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001034272648 884063817 /nfs/dbraw/zinc/06/38/17/884063817.db2.gz NYTDMQITFJOTLT-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001034272648 884063832 /nfs/dbraw/zinc/06/38/32/884063832.db2.gz NYTDMQITFJOTLT-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001034272648 884063847 /nfs/dbraw/zinc/06/38/47/884063847.db2.gz NYTDMQITFJOTLT-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000999492563 912890234 /nfs/dbraw/zinc/89/02/34/912890234.db2.gz BHZBIKAVOIZWOX-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000999492563 912890257 /nfs/dbraw/zinc/89/02/57/912890257.db2.gz BHZBIKAVOIZWOX-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC000999494202 912894243 /nfs/dbraw/zinc/89/42/43/912894243.db2.gz IFZZTELQBZUWLH-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC000999494202 912894260 /nfs/dbraw/zinc/89/42/60/912894260.db2.gz IFZZTELQBZUWLH-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000923432054 889232235 /nfs/dbraw/zinc/23/22/35/889232235.db2.gz WDAUVDXAPDALEE-HSALFYBXSA-N 2 1 370.497 1.199 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923432054 889232249 /nfs/dbraw/zinc/23/22/49/889232249.db2.gz WDAUVDXAPDALEE-HSALFYBXSA-N 2 1 370.497 1.199 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923432054 889232257 /nfs/dbraw/zinc/23/22/57/889232257.db2.gz WDAUVDXAPDALEE-HSALFYBXSA-N 2 1 370.497 1.199 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000923553250 889758037 /nfs/dbraw/zinc/75/80/37/889758037.db2.gz JDJPMTMBLQYBPO-INIZCTEOSA-N 2 1 369.469 1.131 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000923553250 889758051 /nfs/dbraw/zinc/75/80/51/889758051.db2.gz JDJPMTMBLQYBPO-INIZCTEOSA-N 2 1 369.469 1.131 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923556434 889811788 /nfs/dbraw/zinc/81/17/88/889811788.db2.gz XCJMLQYTYGCDSN-SLFFLAALSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923556434 889811806 /nfs/dbraw/zinc/81/18/06/889811806.db2.gz XCJMLQYTYGCDSN-SLFFLAALSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923556434 889811816 /nfs/dbraw/zinc/81/18/16/889811816.db2.gz XCJMLQYTYGCDSN-SLFFLAALSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923556434 889811836 /nfs/dbraw/zinc/81/18/36/889811836.db2.gz XCJMLQYTYGCDSN-SLFFLAALSA-N 2 1 371.529 1.448 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458321 893703220 /nfs/dbraw/zinc/70/32/20/893703220.db2.gz FBOOTEPDTSBMMT-RCCFBDPRSA-N 2 1 367.534 1.515 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1=O ZINC001002858342 894698079 /nfs/dbraw/zinc/69/80/79/894698079.db2.gz CFNLHVHPIAVFKI-KSZLIROESA-N 2 1 362.518 1.084 20 30 FDEDMP C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)n1 ZINC001128106843 896955067 /nfs/dbraw/zinc/95/50/67/896955067.db2.gz GXCPPZIQILVEMG-GBESFXJTSA-N 2 1 369.513 1.230 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706563 897758627 /nfs/dbraw/zinc/75/86/27/897758627.db2.gz NDLVDINLXFYMJZ-YESZJQIVSA-N 2 1 352.523 1.236 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079251298 902272490 /nfs/dbraw/zinc/27/24/90/902272490.db2.gz PJHADIBCGOPIEO-ZWKOTPCHSA-N 2 1 356.470 1.154 20 30 FDEDMP CC[NH+](CC)C[C@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107424284 904831255 /nfs/dbraw/zinc/83/12/55/904831255.db2.gz GKAWWOFOZDRQLA-NLWGTHIKSA-N 2 1 367.509 1.677 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377395 905282410 /nfs/dbraw/zinc/28/24/10/905282410.db2.gz OXSOOBRKALSZNU-OXQOHEQNSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377395 905282426 /nfs/dbraw/zinc/28/24/26/905282426.db2.gz OXSOOBRKALSZNU-OXQOHEQNSA-N 2 1 357.473 1.956 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO[C@H]3CC3(F)F)C[C@H]2C)CC1 ZINC001080997360 906969795 /nfs/dbraw/zinc/96/97/95/906969795.db2.gz AJFPYDRCCUSCLX-OIISXLGYSA-N 2 1 369.456 1.192 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)nc3C)C[C@H]2C)CC1 ZINC001080998093 906974257 /nfs/dbraw/zinc/97/42/57/906974257.db2.gz SBQHLUQWJAXOKV-IIBYNOLFSA-N 2 1 368.525 1.980 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001082567896 908705284 /nfs/dbraw/zinc/70/52/84/908705284.db2.gz JWEBSBUIAPPERG-YSGRDPCXSA-N 2 1 368.456 1.731 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001082567896 908705296 /nfs/dbraw/zinc/70/52/96/908705296.db2.gz JWEBSBUIAPPERG-YSGRDPCXSA-N 2 1 368.456 1.731 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2OC)C1 ZINC001082568031 908706083 /nfs/dbraw/zinc/70/60/83/908706083.db2.gz TUOGYLNERLIILB-NXHRZFHOSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccnc2OC)C1 ZINC001082568031 908706094 /nfs/dbraw/zinc/70/60/94/908706094.db2.gz TUOGYLNERLIILB-NXHRZFHOSA-N 2 1 356.470 1.124 20 30 FDEDMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)CC1 ZINC001084629092 915749721 /nfs/dbraw/zinc/74/97/21/915749721.db2.gz DXEIYIUNIMICRT-CRAIPNDOSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)CC1 ZINC001084629092 915749729 /nfs/dbraw/zinc/74/97/29/915749729.db2.gz DXEIYIUNIMICRT-CRAIPNDOSA-N 2 1 358.511 1.994 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001084851066 917658449 /nfs/dbraw/zinc/65/84/49/917658449.db2.gz LRNPIVNEWXWTDS-MISYRCLQSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000741206041 925629889 /nfs/dbraw/zinc/62/98/89/925629889.db2.gz VJERWTMZBOIZCG-RXVVDRJESA-N 2 1 369.509 1.737 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000741206041 925629893 /nfs/dbraw/zinc/62/98/93/925629893.db2.gz VJERWTMZBOIZCG-RXVVDRJESA-N 2 1 369.509 1.737 20 30 FDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@@H](C(=O)OCC)OC2)CC1 ZINC001169418735 928570060 /nfs/dbraw/zinc/57/00/60/928570060.db2.gz OQAQZPDDBLLCKG-MOPGFXCFSA-N 2 1 365.518 1.389 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001109976165 930933669 /nfs/dbraw/zinc/93/36/69/930933669.db2.gz UNOMVFWOWPPQEE-YRXWBPOGSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001109976165 930933675 /nfs/dbraw/zinc/93/36/75/930933675.db2.gz UNOMVFWOWPPQEE-YRXWBPOGSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976165 930933678 /nfs/dbraw/zinc/93/36/78/930933678.db2.gz UNOMVFWOWPPQEE-YRXWBPOGSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001109976165 930933682 /nfs/dbraw/zinc/93/36/82/930933682.db2.gz UNOMVFWOWPPQEE-YRXWBPOGSA-N 2 1 374.529 1.250 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446644 938443428 /nfs/dbraw/zinc/44/34/28/938443428.db2.gz MIXVMFVCVBZHTA-FQEVSTJZSA-N 2 1 356.514 1.523 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001129883992 938538543 /nfs/dbraw/zinc/53/85/43/938538543.db2.gz DGSLTBWMCBOUJD-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001130026682 938629467 /nfs/dbraw/zinc/62/94/67/938629467.db2.gz YYQAGHKUMZQKJZ-CVEARBPZSA-N 2 1 357.462 1.216 20 30 FDEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001130293268 938796796 /nfs/dbraw/zinc/79/67/96/938796796.db2.gz QDQWNDMNLPCQAR-XLIONFOSSA-N 2 1 362.518 1.132 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652222 939946494 /nfs/dbraw/zinc/94/64/94/939946494.db2.gz KEIXAXKKJQMEFJ-LSTDLKDCSA-N 2 1 357.502 1.058 20 30 FDEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC[NH+](C)C)n[nH]2)O1 ZINC001130804244 940174951 /nfs/dbraw/zinc/17/49/51/940174951.db2.gz AVDWWEYCGWTPIR-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n2)O1 ZINC001130820236 940227761 /nfs/dbraw/zinc/22/77/61/940227761.db2.gz PIFGFFCPJXPSND-LSDHHAIUSA-N 2 1 364.494 1.147 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131022833 940456479 /nfs/dbraw/zinc/45/64/79/940456479.db2.gz ILAVVNXOFULGSU-GUDVDZBRSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131071892 940484943 /nfs/dbraw/zinc/48/49/43/940484943.db2.gz BNBDSDWKAAXUGZ-IAGOWNOFSA-N 2 1 359.518 1.305 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001131316567 940551137 /nfs/dbraw/zinc/55/11/37/940551137.db2.gz NILDPIUQLDXDAY-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316567 940551139 /nfs/dbraw/zinc/55/11/39/940551139.db2.gz NILDPIUQLDXDAY-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316567 940551140 /nfs/dbraw/zinc/55/11/40/940551140.db2.gz NILDPIUQLDXDAY-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001131464220 940621812 /nfs/dbraw/zinc/62/18/12/940621812.db2.gz IICFXHHNNZSELM-QYZOEREBSA-N 2 1 365.518 1.269 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccns2)C1 ZINC001086721138 941642565 /nfs/dbraw/zinc/64/25/65/941642565.db2.gz ILMWKMGHIWQLKN-JZXOWHBKSA-N 2 1 360.527 1.658 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccns2)C1 ZINC001086721138 941642567 /nfs/dbraw/zinc/64/25/67/941642567.db2.gz ILMWKMGHIWQLKN-JZXOWHBKSA-N 2 1 360.527 1.658 20 30 FDEDMP C[NH+]1CCC[C@@]2(CCN(CC#CCN3CC[C@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815144043 941791565 /nfs/dbraw/zinc/79/15/65/941791565.db2.gz RTKDOUGCPNOYJN-FGZHOGPDSA-N 2 1 358.574 1.825 20 30 FDEDMP C#CCNC(=O)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333028 943530125 /nfs/dbraw/zinc/53/01/25/943530125.db2.gz FKBFBLZCLCXNDA-HXUWFJFHSA-N 2 1 369.509 1.644 20 30 FDEDMP C#C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)C1CCOCC1 ZINC000823181827 945523174 /nfs/dbraw/zinc/52/31/74/945523174.db2.gz PAHKSOMGEZSPKT-RBUKOAKNSA-N 2 1 364.534 1.472 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709956 971228647 /nfs/dbraw/zinc/22/86/47/971228647.db2.gz SIDMOWMHANNETN-MLHJIOFPSA-N 2 1 374.529 1.275 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709956 971228652 /nfs/dbraw/zinc/22/86/52/971228652.db2.gz SIDMOWMHANNETN-MLHJIOFPSA-N 2 1 374.529 1.275 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC001171068001 946769502 /nfs/dbraw/zinc/76/95/02/946769502.db2.gz SGXMCABLFRGBSR-HOTGVXAUSA-N 2 1 361.490 1.891 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC001171067999 946769640 /nfs/dbraw/zinc/76/96/40/946769640.db2.gz SGXMCABLFRGBSR-CVEARBPZSA-N 2 1 361.490 1.891 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1ccc(OC)cc1 ZINC001090875179 947488129 /nfs/dbraw/zinc/48/81/29/947488129.db2.gz JVVBBABTLBLLON-XWPNQZOQSA-N 2 1 373.497 1.484 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1ccc(OC)cc1 ZINC001090875179 947488140 /nfs/dbraw/zinc/48/81/40/947488140.db2.gz JVVBBABTLBLLON-XWPNQZOQSA-N 2 1 373.497 1.484 20 30 FDEDMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196116335 971487327 /nfs/dbraw/zinc/48/73/27/971487327.db2.gz XLYCAJKJFUQZPH-CEXWTWQISA-N 2 1 358.486 1.340 20 30 FDEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196116335 971487335 /nfs/dbraw/zinc/48/73/35/971487335.db2.gz XLYCAJKJFUQZPH-CEXWTWQISA-N 2 1 358.486 1.340 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222190 971560727 /nfs/dbraw/zinc/56/07/27/971560727.db2.gz IVCTUGOCKGKXNX-MISYRCLQSA-N 2 1 359.514 1.677 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222190 971560736 /nfs/dbraw/zinc/56/07/36/971560736.db2.gz IVCTUGOCKGKXNX-MISYRCLQSA-N 2 1 359.514 1.677 20 30 FDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001196222190 971560742 /nfs/dbraw/zinc/56/07/42/971560742.db2.gz IVCTUGOCKGKXNX-MISYRCLQSA-N 2 1 359.514 1.677 20 30 FDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001196222190 971560749 /nfs/dbraw/zinc/56/07/49/971560749.db2.gz IVCTUGOCKGKXNX-MISYRCLQSA-N 2 1 359.514 1.677 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091543146 951980043 /nfs/dbraw/zinc/98/00/43/951980043.db2.gz DEKBKMZCNWEVRH-DYXWJJEUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091543146 951980048 /nfs/dbraw/zinc/98/00/48/951980048.db2.gz DEKBKMZCNWEVRH-DYXWJJEUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091543146 951980049 /nfs/dbraw/zinc/98/00/49/951980049.db2.gz DEKBKMZCNWEVRH-DYXWJJEUSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cccnc3C)C[C@@]2(C)C1 ZINC001091748639 952794560 /nfs/dbraw/zinc/79/45/60/952794560.db2.gz RACWVTJXVYMGNO-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccnc3C)C[C@@]2(C)C1 ZINC001091748639 952794564 /nfs/dbraw/zinc/79/45/64/952794564.db2.gz RACWVTJXVYMGNO-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cccnc3C)C[C@@]2(C)C1 ZINC001091748639 952794566 /nfs/dbraw/zinc/79/45/66/952794566.db2.gz RACWVTJXVYMGNO-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cccnc3C)C[C@@]2(C)C1 ZINC001091748639 952794568 /nfs/dbraw/zinc/79/45/68/952794568.db2.gz RACWVTJXVYMGNO-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273855 954658877 /nfs/dbraw/zinc/65/88/77/954658877.db2.gz UHYOYFOTLNKRHM-ZVDOUQERSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273855 954658881 /nfs/dbraw/zinc/65/88/81/954658881.db2.gz UHYOYFOTLNKRHM-ZVDOUQERSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273855 954658889 /nfs/dbraw/zinc/65/88/89/954658889.db2.gz UHYOYFOTLNKRHM-ZVDOUQERSA-N 2 1 352.482 1.790 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@H](C)C2)cc1C#N ZINC001092503652 955274867 /nfs/dbraw/zinc/27/48/67/955274867.db2.gz CAIRMQGVIPYHAO-LZQZEXGQSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@H](C)C2)cc1C#N ZINC001092503652 955274869 /nfs/dbraw/zinc/27/48/69/955274869.db2.gz CAIRMQGVIPYHAO-LZQZEXGQSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)n2)C[C@H]1C ZINC001092690048 956199345 /nfs/dbraw/zinc/19/93/45/956199345.db2.gz YELWBOCFPCUJII-LMMKCTJWSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(OC)n2)C[C@H]1C ZINC001092690048 956199352 /nfs/dbraw/zinc/19/93/52/956199352.db2.gz YELWBOCFPCUJII-LMMKCTJWSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1C ZINC001092690048 956199358 /nfs/dbraw/zinc/19/93/58/956199358.db2.gz YELWBOCFPCUJII-LMMKCTJWSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(OC)n2)C[C@H]1C ZINC001092690048 956199366 /nfs/dbraw/zinc/19/93/66/956199366.db2.gz YELWBOCFPCUJII-LMMKCTJWSA-N 2 1 370.497 1.372 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001093215109 957836018 /nfs/dbraw/zinc/83/60/18/957836018.db2.gz UWFAKXHNHNVHTF-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001093215109 957836027 /nfs/dbraw/zinc/83/60/27/957836027.db2.gz UWFAKXHNHNVHTF-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001093215109 957836040 /nfs/dbraw/zinc/83/60/40/957836040.db2.gz UWFAKXHNHNVHTF-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001093215109 957836053 /nfs/dbraw/zinc/83/60/53/957836053.db2.gz UWFAKXHNHNVHTF-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C3CCC(CC#N)CC3)CC[C@@H]2C1 ZINC001173333264 962005911 /nfs/dbraw/zinc/00/59/11/962005911.db2.gz MUADFESSHYYLGV-JWHDQAAXSA-N 2 1 362.518 1.570 20 30 FDEDMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)CC[C@@H]2C1 ZINC001173333264 962005932 /nfs/dbraw/zinc/00/59/32/962005932.db2.gz MUADFESSHYYLGV-JWHDQAAXSA-N 2 1 362.518 1.570 20 30 FDEDMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C3CCC(CC#N)CC3)CC[C@@H]2C1 ZINC001173333264 962005954 /nfs/dbraw/zinc/00/59/54/962005954.db2.gz MUADFESSHYYLGV-JWHDQAAXSA-N 2 1 362.518 1.570 20 30 FDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001183043698 962756291 /nfs/dbraw/zinc/75/62/91/962756291.db2.gz VYKQIZMOSYOFRZ-WOJBJXKFSA-N 2 1 370.497 1.535 20 30 FDEDMP C=CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185943341 964207409 /nfs/dbraw/zinc/20/74/09/964207409.db2.gz RUUNKIKTLUTGAL-KBAYOESNSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182191 966808336 /nfs/dbraw/zinc/80/83/36/966808336.db2.gz RBQDGVHTJRISHM-GBESFXJTSA-N 2 1 365.518 1.223 20 30 FDEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001189801389 967302396 /nfs/dbraw/zinc/30/23/96/967302396.db2.gz DUYZZPNBGCMYLJ-VQTJNVASSA-N 2 1 355.482 1.149 20 30 FDEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001189801389 967302405 /nfs/dbraw/zinc/30/24/05/967302405.db2.gz DUYZZPNBGCMYLJ-VQTJNVASSA-N 2 1 355.482 1.149 20 30 FDEDMP O=C(C#CC1CC[NH2+]CC1)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000852872931 967680026 /nfs/dbraw/zinc/68/00/26/967680026.db2.gz NFIICYXZFMPIRG-UHFFFAOYSA-N 2 1 368.525 1.314 20 30 FDEDMP CN1CC[NH+](Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852873333 967680203 /nfs/dbraw/zinc/68/02/03/967680203.db2.gz SAQJCVIUHLERQM-UHFFFAOYSA-N 2 1 354.498 1.053 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001200537546 974812782 /nfs/dbraw/zinc/81/27/82/974812782.db2.gz PRKSJGAMOFMPRD-HLAWJBBLSA-N 2 1 369.509 1.585 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)NC1CC1 ZINC000849109777 977320503 /nfs/dbraw/zinc/32/05/03/977320503.db2.gz HHBLVKPDTOROOT-UHFFFAOYSA-N 2 1 371.529 1.685 20 30 FDEDMP C#CCC1(O)CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000880481733 979221767 /nfs/dbraw/zinc/22/17/67/979221767.db2.gz ZWXAGXIMDLWRRG-QUCCMNQESA-N 2 1 369.509 1.616 20 30 FDEDMP C#CCC1(O)CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000880481733 979221770 /nfs/dbraw/zinc/22/17/70/979221770.db2.gz ZWXAGXIMDLWRRG-QUCCMNQESA-N 2 1 369.509 1.616 20 30 FDEDMP CC[N@H+]1CC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883893316 982595102 /nfs/dbraw/zinc/59/51/02/982595102.db2.gz ITLXDZCMFUZEFP-IBGZPJMESA-N 2 1 355.486 1.870 20 30 FDEDMP CC[NH+]1CC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000883893316 982595111 /nfs/dbraw/zinc/59/51/11/982595111.db2.gz ITLXDZCMFUZEFP-IBGZPJMESA-N 2 1 355.486 1.870 20 30 FDEDMP CC[NH+]1CC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000883893316 982595118 /nfs/dbraw/zinc/59/51/18/982595118.db2.gz ITLXDZCMFUZEFP-IBGZPJMESA-N 2 1 355.486 1.870 20 30 FDEDMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884198373 982973626 /nfs/dbraw/zinc/97/36/26/982973626.db2.gz UIYPKORSYVOPNM-WUJZJPHMSA-N 2 1 350.426 1.331 20 30 FDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1CCc2ccccc2C1 ZINC000884205096 982980622 /nfs/dbraw/zinc/98/06/22/982980622.db2.gz MMEDHNVHBRGZPG-JIFINUTQSA-N 2 1 352.482 1.689 20 30 FDEDMP C[N@H+]1CCCN(c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)CC1 ZINC000884235005 983011050 /nfs/dbraw/zinc/01/10/50/983011050.db2.gz KJWFOTWXJWCXFL-BATSVXPKSA-N 2 1 367.497 1.906 20 30 FDEDMP C=CC[N@H+](C[C@H](O)CN1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363512526 989260094 /nfs/dbraw/zinc/26/00/94/989260094.db2.gz VPAIHYWXIFFPGQ-NHCUHLMSSA-N 2 1 359.514 1.442 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000363667895 989383004 /nfs/dbraw/zinc/38/30/04/989383004.db2.gz AASIOEPKLSELPQ-XLIONFOSSA-N 2 1 372.513 1.398 20 30 FDEDMP CCCCCCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000875215458 991097429 /nfs/dbraw/zinc/09/74/29/991097429.db2.gz WUVYGHXCJGEVHX-INIZCTEOSA-N 2 1 352.523 1.358 20 30 FDEDMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876731052 992844955 /nfs/dbraw/zinc/84/49/55/992844955.db2.gz NGLRZMDHYQSGEE-GQIGUUNPSA-N 2 1 370.497 1.751 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000876896670 992957165 /nfs/dbraw/zinc/95/71/65/992957165.db2.gz KLSNHCFZRGFDGD-IRXDYDNUSA-N 2 1 351.878 1.864 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](O)[C@H](C)C3)c2)CC[C@H]1O ZINC000878464230 993971860 /nfs/dbraw/zinc/97/18/60/993971860.db2.gz SABCKDBFRYJWQL-NBJYBMASSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](O)[C@H](C)C3)c2)CC[C@H]1O ZINC000878464230 993971861 /nfs/dbraw/zinc/97/18/61/993971861.db2.gz SABCKDBFRYJWQL-NBJYBMASSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](O)[C@H](C)C3)c2)CC[C@H]1O ZINC000878464230 993971862 /nfs/dbraw/zinc/97/18/62/993971862.db2.gz SABCKDBFRYJWQL-NBJYBMASSA-N 2 1 357.498 1.964 20 30 FDEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000930137268 1002862862 /nfs/dbraw/zinc/86/28/62/1002862862.db2.gz QVURRWFAKWXBOS-RXVVDRJESA-N 2 1 368.525 1.954 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000930283041 1002995526 /nfs/dbraw/zinc/99/55/26/1002995526.db2.gz CFJNZHPBSGABRR-MRXNPFEDSA-N 2 1 358.490 1.677 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000930283041 1002995531 /nfs/dbraw/zinc/99/55/31/1002995531.db2.gz CFJNZHPBSGABRR-MRXNPFEDSA-N 2 1 358.490 1.677 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932916730 1005242712 /nfs/dbraw/zinc/24/27/12/1005242712.db2.gz VHZKNEYQFDTFSR-KBPBESRZSA-N 2 1 363.428 1.888 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111171454 1006596025 /nfs/dbraw/zinc/59/60/25/1006596025.db2.gz FAUKXXHJQNDFHF-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111171454 1006596039 /nfs/dbraw/zinc/59/60/39/1006596039.db2.gz FAUKXXHJQNDFHF-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C[NH+]1CCC2(CC[NH+](CC#CC[N@@H+]3CCC4(C3)CC[NH+](C)CC4)C2)CC1 ZINC000639756286 1007548790 /nfs/dbraw/zinc/54/87/90/1007548790.db2.gz UUHYWDNSWABVSR-UHFFFAOYSA-N 4 1 358.574 1.825 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])NC[C@@H]3CCCO3)cc2)C[C@H](C)O1 ZINC000303263265 1008784751 /nfs/dbraw/zinc/78/47/51/1008784751.db2.gz QUMHEVWGFFZQSE-FCEWJHQRSA-N 2 1 360.502 1.879 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000303881747 1009671110 /nfs/dbraw/zinc/67/11/10/1009671110.db2.gz HUVPZOLRCXJARP-IYBDPMFKSA-N 2 1 367.538 1.880 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1OC(F)F ZINC000303901308 1009684186 /nfs/dbraw/zinc/68/41/86/1009684186.db2.gz SQAVBEOSTVVLNL-UHFFFAOYSA-N 2 1 372.416 1.423 20 30 FDEDMP CC[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000303906566 1009687899 /nfs/dbraw/zinc/68/78/99/1009687899.db2.gz WFDXCDZVCUAYCF-HXUWFJFHSA-N 2 1 373.545 1.450 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000303971351 1009782867 /nfs/dbraw/zinc/78/28/67/1009782867.db2.gz DLEYPWUHQJICLZ-SFHVURJKSA-N 3 1 361.534 1.906 20 30 FDEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000304764560 1010489629 /nfs/dbraw/zinc/48/96/29/1010489629.db2.gz YDMILVHGCDNULI-IBGZPJMESA-N 2 1 365.566 1.658 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304764560 1010489632 /nfs/dbraw/zinc/48/96/32/1010489632.db2.gz YDMILVHGCDNULI-IBGZPJMESA-N 3 1 365.566 1.658 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000304764560 1010489636 /nfs/dbraw/zinc/48/96/36/1010489636.db2.gz YDMILVHGCDNULI-IBGZPJMESA-N 3 1 365.566 1.658 20 30 FDEDMP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000548786922 542778629 /nfs/dbraw/zinc/77/86/29/542778629.db2.gz GMCYIDCUORPLDL-MOPGFXCFSA-N 2 1 353.470 1.917 20 30 FDEDMP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000548786922 542778633 /nfs/dbraw/zinc/77/86/33/542778633.db2.gz GMCYIDCUORPLDL-MOPGFXCFSA-N 2 1 353.470 1.917 20 30 FDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC[NH+]1CCOCC1 ZINC000079067132 523698138 /nfs/dbraw/zinc/69/81/38/523698138.db2.gz QUYCVSNAFQAJKL-UHFFFAOYSA-N 2 1 373.501 1.354 20 30 FDEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000083034768 524234698 /nfs/dbraw/zinc/23/46/98/524234698.db2.gz LHHUESMWAQPFAK-UKRRQHHQSA-N 2 1 372.391 1.853 20 30 FDEDMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[NH+]1CCSCC1 ZINC000151804008 524690039 /nfs/dbraw/zinc/69/00/39/524690039.db2.gz SKQGXQLTTKMWIN-INIZCTEOSA-N 2 1 360.527 1.886 20 30 FDEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729225 524711354 /nfs/dbraw/zinc/71/13/54/524711354.db2.gz MMTPYOUIMPHINU-IBGZPJMESA-N 2 1 371.529 1.891 20 30 FDEDMP Cc1cc(N2CCC([N@H+](C)CC(=O)NC3(C#N)CCC3)CC2)nc(C)[nH+]1 ZINC000363908720 537359904 /nfs/dbraw/zinc/35/99/04/537359904.db2.gz IFYGZCXDDIXGLP-UHFFFAOYSA-N 2 1 356.474 1.557 20 30 FDEDMP Cc1cc(N2CCC([N@@H+](C)CC(=O)NC3(C#N)CCC3)CC2)nc(C)[nH+]1 ZINC000363908720 537359914 /nfs/dbraw/zinc/35/99/14/537359914.db2.gz IFYGZCXDDIXGLP-UHFFFAOYSA-N 2 1 356.474 1.557 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433325686 538223856 /nfs/dbraw/zinc/22/38/56/538223856.db2.gz KGHMHEQUUDMVEU-KRWDZBQOSA-N 2 1 352.523 1.827 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)cc2)C[C@H](C)O1 ZINC000565291678 547292571 /nfs/dbraw/zinc/29/25/71/547292571.db2.gz AWCLFUHKQUHPQJ-LVCYWYKZSA-N 2 1 374.529 1.592 20 30 FDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000567378285 548098083 /nfs/dbraw/zinc/09/80/83/548098083.db2.gz WCELQJAKFFWHNS-VTHDOGFWSA-N 2 1 356.514 1.978 20 30 FDEDMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594438032 552309665 /nfs/dbraw/zinc/30/96/65/552309665.db2.gz MIAVYUMLDVXBQK-GOSISDBHSA-N 2 1 371.485 1.814 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc(OC)c1 ZINC000594439543 552310166 /nfs/dbraw/zinc/31/01/66/552310166.db2.gz RREBNJDNZVGORB-APWZRJJASA-N 2 1 374.485 1.806 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc(OC)c1 ZINC000594439543 552310167 /nfs/dbraw/zinc/31/01/67/552310167.db2.gz RREBNJDNZVGORB-APWZRJJASA-N 2 1 374.485 1.806 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(C#N)CCOCC1 ZINC000597053661 552740288 /nfs/dbraw/zinc/74/02/88/552740288.db2.gz RTSUWPBRGZAQII-KRWDZBQOSA-N 2 1 350.507 1.571 20 30 FDEDMP C[NH2+]CCOCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599936936 553177801 /nfs/dbraw/zinc/17/78/01/553177801.db2.gz QHRRFVQVECGEQQ-UHFFFAOYSA-N 2 1 359.474 1.012 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000609167333 554345694 /nfs/dbraw/zinc/34/56/94/554345694.db2.gz RRFKGYHIIPALRF-UHFFFAOYSA-N 2 1 371.529 1.498 20 30 FDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000609672689 554409911 /nfs/dbraw/zinc/40/99/11/554409911.db2.gz KDKLUPXXIZPEDT-LJQANCHMSA-N 2 1 355.486 1.599 20 30 FDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000609672689 554409913 /nfs/dbraw/zinc/40/99/13/554409913.db2.gz KDKLUPXXIZPEDT-LJQANCHMSA-N 2 1 355.486 1.599 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610995516 554591951 /nfs/dbraw/zinc/59/19/51/554591951.db2.gz SEXCHINVRWYLRV-JYRKZWEQSA-N 2 1 373.497 1.676 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610995516 554591952 /nfs/dbraw/zinc/59/19/52/554591952.db2.gz SEXCHINVRWYLRV-JYRKZWEQSA-N 2 1 373.497 1.676 20 30 FDEDMP CC[C@@H]1CN(C(=O)NCc2cn3c(n2)CCCC3)C[C@@H]1[NH+]1CCOCC1 ZINC000330273798 568072251 /nfs/dbraw/zinc/07/22/51/568072251.db2.gz ZSRXUTOCFRDSCP-WBVHZDCISA-N 2 1 361.490 1.676 20 30 FDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000085171362 671480827 /nfs/dbraw/zinc/48/08/27/671480827.db2.gz KTUWPPNWDUDBFI-QGZVFWFLSA-N 2 1 352.523 1.301 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000103911812 671593340 /nfs/dbraw/zinc/59/33/40/671593340.db2.gz DOIHJMOFEMCNSS-MRXNPFEDSA-N 2 1 365.547 1.382 20 30 FDEDMP C[NH+]=C(NC[C@H]1CCCS1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000261939142 672697884 /nfs/dbraw/zinc/69/78/84/672697884.db2.gz DDZPDTFXZRICMD-QGZVFWFLSA-N 2 1 367.607 1.997 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCO2 ZINC000262003735 672710208 /nfs/dbraw/zinc/71/02/08/672710208.db2.gz QNYGUTOWTVDQEX-CYBMUJFWSA-N 2 1 352.866 2.000 20 30 FDEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262756623 672842923 /nfs/dbraw/zinc/84/29/23/672842923.db2.gz DMWCXUVQEFMXDF-IEBWSBKVSA-N 3 1 367.607 1.949 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1Cl ZINC000264131908 672902124 /nfs/dbraw/zinc/90/21/24/672902124.db2.gz UDRBMPYITBNBCU-CYBMUJFWSA-N 2 1 351.882 1.458 20 30 FDEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)N1CCOCC1 ZINC000303790336 676543024 /nfs/dbraw/zinc/54/30/24/676543024.db2.gz WBWJMVGDCKAXNH-QZTJIDSGSA-N 2 1 353.555 1.512 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1csc(N2CCCC2)n1 ZINC000304756543 676544362 /nfs/dbraw/zinc/54/43/62/676544362.db2.gz NTGJTTCJVIGRNR-OAHLLOKOSA-N 2 1 350.536 1.674 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1 ZINC000328848452 676609579 /nfs/dbraw/zinc/60/95/79/676609579.db2.gz WAOOQZRFBUIALD-KSZLIROESA-N 2 1 353.507 1.678 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCS[C@@H]3COCC[C@H]32)C1 ZINC000330176581 676676728 /nfs/dbraw/zinc/67/67/28/676676728.db2.gz KBMSALYEGBDZKS-BRWVUGGUSA-N 2 1 371.547 1.506 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000370568381 677592669 /nfs/dbraw/zinc/59/26/69/677592669.db2.gz IFYAROPYSFCLPC-ZWKOTPCHSA-N 2 1 350.507 1.579 20 30 FDEDMP C#CCCCS(=O)(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376327035 678275299 /nfs/dbraw/zinc/27/52/99/678275299.db2.gz GGJWYBKYVNYVFS-UHFFFAOYSA-N 2 1 369.575 1.858 20 30 FDEDMP C#CCCCS(=O)(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376360043 678286820 /nfs/dbraw/zinc/28/68/20/678286820.db2.gz QIQKRXNATJYMLM-UHFFFAOYSA-N 2 1 355.548 1.516 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000480570653 686190386 /nfs/dbraw/zinc/19/03/86/686190386.db2.gz WGVSMYYBLXNHJM-QZTJIDSGSA-N 2 1 352.523 1.393 20 30 FDEDMP COC(=O)c1cc(C#N)cnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679461 719647883 /nfs/dbraw/zinc/64/78/83/719647883.db2.gz BGAZFWKJCWPJQH-UHFFFAOYSA-N 2 1 368.441 1.411 20 30 FDEDMP COC(=O)c1cc(C#N)cnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679461 719647889 /nfs/dbraw/zinc/64/78/89/719647889.db2.gz BGAZFWKJCWPJQH-UHFFFAOYSA-N 2 1 368.441 1.411 20 30 FDEDMP CCc1nc(C#N)c(C#N)nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680576 719649340 /nfs/dbraw/zinc/64/93/40/719649340.db2.gz WONLBJLYCMQECA-UHFFFAOYSA-N 2 1 364.457 1.454 20 30 FDEDMP CCc1nc(C#N)c(C#N)nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680576 719649346 /nfs/dbraw/zinc/64/93/46/719649346.db2.gz WONLBJLYCMQECA-UHFFFAOYSA-N 2 1 364.457 1.454 20 30 FDEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083193925 771219363 /nfs/dbraw/zinc/21/93/63/771219363.db2.gz NOVKTWCFJGKEFS-VQTJNVASSA-N 2 1 357.498 1.892 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083193925 771219365 /nfs/dbraw/zinc/21/93/65/771219365.db2.gz NOVKTWCFJGKEFS-VQTJNVASSA-N 2 1 357.498 1.892 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)nc2)C1 ZINC001104306153 774435920 /nfs/dbraw/zinc/43/59/20/774435920.db2.gz NRSOURUJCWEPAJ-AHRSYUTCSA-N 2 1 369.513 1.457 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)nc2)C1 ZINC001104306153 774435926 /nfs/dbraw/zinc/43/59/26/774435926.db2.gz NRSOURUJCWEPAJ-AHRSYUTCSA-N 2 1 369.513 1.457 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104363952 777490750 /nfs/dbraw/zinc/49/07/50/777490750.db2.gz PWZVKIAAKQJBTF-BRWVUGGUSA-N 2 1 366.550 1.482 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104379092 779104301 /nfs/dbraw/zinc/10/43/01/779104301.db2.gz XTLODHQTDXSWAL-AQNXPRMDSA-N 2 1 363.546 1.831 20 30 FDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104589052 788759686 /nfs/dbraw/zinc/75/96/86/788759686.db2.gz TVUHKWPCQRVUJQ-YDZRNGNQSA-N 2 1 351.535 1.994 20 30 FDEDMP C=CCNC(=O)NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377770800 792760365 /nfs/dbraw/zinc/76/03/65/792760365.db2.gz QHVOXOXMHAUCNJ-ROUUACIJSA-N 2 1 356.470 1.452 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000364239996 795515456 /nfs/dbraw/zinc/51/54/56/795515456.db2.gz ABTWKCNWFPRWER-APWZRJJASA-N 2 1 374.533 1.753 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)c(F)c3)C2)CC[N@H+]1C ZINC001026853182 800009010 /nfs/dbraw/zinc/00/90/10/800009010.db2.gz ZRUUNBOFGRMUEV-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C=CC[C@]1(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000662752887 803060330 /nfs/dbraw/zinc/06/03/30/803060330.db2.gz UZNIAHYEQJFFIY-OAQYLSRUSA-N 2 1 370.497 1.640 20 30 FDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261873344 811336361 /nfs/dbraw/zinc/33/63/61/811336361.db2.gz ZZULRPQDIBOSHD-INIZCTEOSA-N 2 1 360.458 1.145 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)ncn3)[C@@H]2CC)CC1 ZINC001087840064 822558779 /nfs/dbraw/zinc/55/87/79/822558779.db2.gz FWYGGNYVAZSBGU-VQTJNVASSA-N 2 1 369.513 1.599 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525510078 828635173 /nfs/dbraw/zinc/63/51/73/828635173.db2.gz XEAHCPSIJNXJTE-NRFANRHFSA-N 2 1 372.513 1.573 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@H]3CC[NH+](C)C[C@@H]32)CCC[N@H+]1C ZINC000329152300 824632737 /nfs/dbraw/zinc/63/27/37/824632737.db2.gz APMQSNAGHXHIGJ-KCITZHQASA-N 2 1 374.533 1.743 20 30 FDEDMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)CC2)cn1 ZINC000329300031 824723561 /nfs/dbraw/zinc/72/35/61/824723561.db2.gz VJJWUWYYVMWQNT-RTBURBONSA-N 2 1 374.533 1.952 20 30 FDEDMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)CC2)cn1 ZINC000329300031 824723573 /nfs/dbraw/zinc/72/35/73/824723573.db2.gz VJJWUWYYVMWQNT-RTBURBONSA-N 2 1 374.533 1.952 20 30 FDEDMP CCn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cn1 ZINC000329300031 824723580 /nfs/dbraw/zinc/72/35/80/824723580.db2.gz VJJWUWYYVMWQNT-RTBURBONSA-N 2 1 374.533 1.952 20 30 FDEDMP CCn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cn1 ZINC000329300031 824723590 /nfs/dbraw/zinc/72/35/90/824723590.db2.gz VJJWUWYYVMWQNT-RTBURBONSA-N 2 1 374.533 1.952 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnccc3C)CC[C@@H]2C1 ZINC001087998229 825076298 /nfs/dbraw/zinc/07/62/98/825076298.db2.gz YBMUAAORRXUCSL-GIVPXCGWSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnccc3C)CC[C@@H]2C1 ZINC001087998229 825076305 /nfs/dbraw/zinc/07/63/05/825076305.db2.gz YBMUAAORRXUCSL-GIVPXCGWSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnccc3C)CC[C@@H]2C1 ZINC001087998229 825076312 /nfs/dbraw/zinc/07/63/12/825076312.db2.gz YBMUAAORRXUCSL-GIVPXCGWSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnccc3C)CC[C@@H]2C1 ZINC001087998229 825076323 /nfs/dbraw/zinc/07/63/23/825076323.db2.gz YBMUAAORRXUCSL-GIVPXCGWSA-N 2 1 366.509 1.768 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)C1 ZINC001088199844 827433384 /nfs/dbraw/zinc/43/33/84/827433384.db2.gz FDCBHGZKCFXBHS-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)C1 ZINC001088199844 827433387 /nfs/dbraw/zinc/43/33/87/827433387.db2.gz FDCBHGZKCFXBHS-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)C1 ZINC001088199844 827433393 /nfs/dbraw/zinc/43/33/93/827433393.db2.gz FDCBHGZKCFXBHS-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262808370 831522584 /nfs/dbraw/zinc/52/25/84/831522584.db2.gz QPAZXWOBQHZGOF-NVXWUHKLSA-N 2 1 367.501 1.725 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088571788 834849431 /nfs/dbraw/zinc/84/94/31/834849431.db2.gz NNYSPQJLLWBOAU-XPGWFJOJSA-N 2 1 352.482 1.979 20 30 FDEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544943 839953026 /nfs/dbraw/zinc/95/30/26/839953026.db2.gz ZONIKHHXPIWOKZ-QRVBRYPASA-N 2 1 361.530 1.870 20 30 FDEDMP CC#CC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544943 839953028 /nfs/dbraw/zinc/95/30/28/839953028.db2.gz ZONIKHHXPIWOKZ-QRVBRYPASA-N 2 1 361.530 1.870 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105666704 843297134 /nfs/dbraw/zinc/29/71/34/843297134.db2.gz IMAJKJAXRWGJHP-IZBJGVDFSA-N 2 1 351.535 1.870 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105667166 843517763 /nfs/dbraw/zinc/51/77/63/843517763.db2.gz OXDOKUOACIDJTC-JYBIWHBTSA-N 2 1 351.535 1.870 20 30 FDEDMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076242638 847666097 /nfs/dbraw/zinc/66/60/97/847666097.db2.gz MCWLOIWYMVJWAS-RLFYNMQTSA-N 2 1 358.511 1.994 20 30 FDEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076242638 847666100 /nfs/dbraw/zinc/66/61/00/847666100.db2.gz MCWLOIWYMVJWAS-RLFYNMQTSA-N 2 1 358.511 1.994 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076242638 847666103 /nfs/dbraw/zinc/66/61/03/847666103.db2.gz MCWLOIWYMVJWAS-RLFYNMQTSA-N 2 1 358.511 1.994 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076242638 847666106 /nfs/dbraw/zinc/66/61/06/847666106.db2.gz MCWLOIWYMVJWAS-RLFYNMQTSA-N 2 1 358.511 1.994 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)[C@@H]2C)CC1 ZINC001089059274 866383403 /nfs/dbraw/zinc/38/34/03/866383403.db2.gz GYAMIJSGXYPTSE-UTKZUKDTSA-N 2 1 369.509 1.603 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCCCO3)[C@@H]2C)CC1 ZINC001089059225 866383593 /nfs/dbraw/zinc/38/35/93/866383593.db2.gz FDBCMCZYMGABSH-RLLQIKCJSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CCN(C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH+](C)CC1 ZINC000913921622 869999600 /nfs/dbraw/zinc/99/96/00/869999600.db2.gz UKQHVJZAGTXXQU-SFHVURJKSA-N 2 1 350.507 1.082 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106672258 876513501 /nfs/dbraw/zinc/51/35/01/876513501.db2.gz MYHMKRBWWMAKQC-IXDOHACOSA-N 2 1 364.534 1.093 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001034272549 884063944 /nfs/dbraw/zinc/06/39/44/884063944.db2.gz MLIKOYLNPUESJW-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001034272549 884063959 /nfs/dbraw/zinc/06/39/59/884063959.db2.gz MLIKOYLNPUESJW-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001034272549 884063976 /nfs/dbraw/zinc/06/39/76/884063976.db2.gz MLIKOYLNPUESJW-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001034272549 884063992 /nfs/dbraw/zinc/06/39/92/884063992.db2.gz MLIKOYLNPUESJW-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000919052962 885252113 /nfs/dbraw/zinc/25/21/13/885252113.db2.gz WXNFJDXDUBSMIP-MJGOQNOKSA-N 2 1 364.534 1.520 20 30 FDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COc2cccc(C#N)c2)CC1 ZINC000919861498 886299359 /nfs/dbraw/zinc/29/93/59/886299359.db2.gz XDZGBCADXVXXGH-UHFFFAOYSA-N 2 1 351.410 1.723 20 30 FDEDMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000923090748 888001484 /nfs/dbraw/zinc/00/14/84/888001484.db2.gz DWPRIAPSMBNYDI-HNAYVOBHSA-N 2 1 355.486 1.914 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000923388183 889097918 /nfs/dbraw/zinc/09/79/18/889097918.db2.gz MIKZPCAVKAAJPN-XFKSJGNHSA-N 2 1 359.470 1.516 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)C[C@@H]2O)CC1 ZINC001084088043 913360191 /nfs/dbraw/zinc/36/01/91/913360191.db2.gz NHZGPJZELYGYNW-UIFIKXQLSA-N 2 1 369.509 1.563 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C2CCN(Cc3csc(C)n3)CC2)C1 ZINC000923580117 889957819 /nfs/dbraw/zinc/95/78/19/889957819.db2.gz YKSOIJHZSIHPOJ-KRWDZBQOSA-N 2 1 360.527 1.877 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2CCN(Cc3csc(C)n3)CC2)C1 ZINC000923580117 889957830 /nfs/dbraw/zinc/95/78/30/889957830.db2.gz YKSOIJHZSIHPOJ-KRWDZBQOSA-N 2 1 360.527 1.877 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083141195 901878672 /nfs/dbraw/zinc/87/86/72/901878672.db2.gz GMWUAWLYLUFZAQ-MRXNPFEDSA-N 2 1 355.486 1.368 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083141195 901878678 /nfs/dbraw/zinc/87/86/78/901878678.db2.gz GMWUAWLYLUFZAQ-MRXNPFEDSA-N 2 1 355.486 1.368 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079176752 902061127 /nfs/dbraw/zinc/06/11/27/902061127.db2.gz PHCCCYOPBVVHLY-OTWHNJEPSA-N 2 1 361.461 1.616 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079176752 902061133 /nfs/dbraw/zinc/06/11/33/902061133.db2.gz PHCCCYOPBVVHLY-OTWHNJEPSA-N 2 1 361.461 1.616 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC[C@H]1c1ccc(F)cc1 ZINC001079162704 902090235 /nfs/dbraw/zinc/09/02/35/902090235.db2.gz XLZABEKSZQBOAB-RBUKOAKNSA-N 2 1 354.429 1.938 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260541 902297968 /nfs/dbraw/zinc/29/79/68/902297968.db2.gz BEXAHAXAAPQANA-GBESFXJTSA-N 2 1 361.530 1.986 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1F ZINC001079315785 902410332 /nfs/dbraw/zinc/41/03/32/902410332.db2.gz DZPTWRPDTYVQGL-PKOBYXMFSA-N 2 1 359.445 1.065 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080781170 906252606 /nfs/dbraw/zinc/25/26/06/906252606.db2.gz QJGILKZXGDOGHC-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001080781170 906252624 /nfs/dbraw/zinc/25/26/24/906252624.db2.gz QJGILKZXGDOGHC-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001080781170 906252646 /nfs/dbraw/zinc/25/26/46/906252646.db2.gz QJGILKZXGDOGHC-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080781170 906252657 /nfs/dbraw/zinc/25/26/57/906252657.db2.gz QJGILKZXGDOGHC-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001127832854 906473579 /nfs/dbraw/zinc/47/35/79/906473579.db2.gz QUIQRFPMEMNEOJ-BHIYHBOVSA-N 2 1 369.513 1.230 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326467 906906376 /nfs/dbraw/zinc/90/63/76/906906376.db2.gz FCDQEMTWOYWZEG-GUDVDZBRSA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326467 906906379 /nfs/dbraw/zinc/90/63/79/906906379.db2.gz FCDQEMTWOYWZEG-GUDVDZBRSA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326467 906906385 /nfs/dbraw/zinc/90/63/85/906906385.db2.gz FCDQEMTWOYWZEG-GUDVDZBRSA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326467 906906390 /nfs/dbraw/zinc/90/63/90/906906390.db2.gz FCDQEMTWOYWZEG-GUDVDZBRSA-N 2 1 356.470 1.215 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3nc(C)cc3C)C[C@H]2C)CC1 ZINC001080997755 906972150 /nfs/dbraw/zinc/97/21/50/906972150.db2.gz KEZRSZJIOYKCKW-OXQOHEQNSA-N 2 1 371.529 1.282 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001082567877 908704167 /nfs/dbraw/zinc/70/41/67/908704167.db2.gz IESSDABCRYTRAC-YUELXQCFSA-N 2 1 366.918 1.831 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC001082567877 908704179 /nfs/dbraw/zinc/70/41/79/908704179.db2.gz IESSDABCRYTRAC-YUELXQCFSA-N 2 1 366.918 1.831 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082861812 910524489 /nfs/dbraw/zinc/52/44/89/910524489.db2.gz PKPRRDSKCULBJA-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406552 911424277 /nfs/dbraw/zinc/42/42/77/911424277.db2.gz XVCFQIDSVOLING-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406552 911424289 /nfs/dbraw/zinc/42/42/89/911424289.db2.gz XVCFQIDSVOLING-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406552 911424296 /nfs/dbraw/zinc/42/42/96/911424296.db2.gz XVCFQIDSVOLING-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1C#N ZINC001084830363 917506640 /nfs/dbraw/zinc/50/66/40/917506640.db2.gz SUZJVVNMPKYVDT-ZIFCJYIRSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1C#N ZINC001084830363 917506650 /nfs/dbraw/zinc/50/66/50/917506650.db2.gz SUZJVVNMPKYVDT-ZIFCJYIRSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1C#N ZINC001084830363 917506658 /nfs/dbraw/zinc/50/66/58/917506658.db2.gz SUZJVVNMPKYVDT-ZIFCJYIRSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1C#N ZINC001084830363 917506670 /nfs/dbraw/zinc/50/66/70/917506670.db2.gz SUZJVVNMPKYVDT-ZIFCJYIRSA-N 2 1 368.481 1.551 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCC(F)(F)F)C[C@H]32)CC1 ZINC001084850999 917657038 /nfs/dbraw/zinc/65/70/38/917657038.db2.gz IGNOSCBYUHSYED-HZPDHXFCSA-N 2 1 357.420 1.817 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC001084942541 918602633 /nfs/dbraw/zinc/60/26/33/918602633.db2.gz CEQMMTQXDVFLHK-MJGOQNOKSA-N 2 1 359.518 1.947 20 30 FDEDMP CCC[N@H+](CC(=O)NCCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000733995998 922776912 /nfs/dbraw/zinc/77/69/12/922776912.db2.gz ITCVHXIDDSMFRK-UHFFFAOYSA-N 2 1 358.490 1.804 20 30 FDEDMP CCC[N@@H+](CC(=O)NCCC#N)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000733995998 922776923 /nfs/dbraw/zinc/77/69/23/922776923.db2.gz ITCVHXIDDSMFRK-UHFFFAOYSA-N 2 1 358.490 1.804 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@H](C)c2ncccn2)CC1 ZINC001085432633 924680024 /nfs/dbraw/zinc/68/00/24/924680024.db2.gz IGDJKZPEXKLDML-BHIYHBOVSA-N 2 1 369.513 1.900 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001086120233 926047119 /nfs/dbraw/zinc/04/71/19/926047119.db2.gz QQGYFHIMQHKYRT-VVWQDTPRSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001086120233 926047130 /nfs/dbraw/zinc/04/71/30/926047130.db2.gz QQGYFHIMQHKYRT-VVWQDTPRSA-N 2 1 356.470 1.262 20 30 FDEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086595236 933884187 /nfs/dbraw/zinc/88/41/87/933884187.db2.gz RTPDGBMFNVPTJS-GSEOLPGOSA-N 2 1 355.482 1.313 20 30 FDEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086595236 933884194 /nfs/dbraw/zinc/88/41/94/933884194.db2.gz RTPDGBMFNVPTJS-GSEOLPGOSA-N 2 1 355.482 1.313 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086595236 933884214 /nfs/dbraw/zinc/88/42/14/933884214.db2.gz RTPDGBMFNVPTJS-GSEOLPGOSA-N 2 1 355.482 1.313 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086595236 933884222 /nfs/dbraw/zinc/88/42/22/933884222.db2.gz RTPDGBMFNVPTJS-GSEOLPGOSA-N 2 1 355.482 1.313 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129849920 938526639 /nfs/dbraw/zinc/52/66/39/938526639.db2.gz BRLZNQGDJBIIKJ-MLHJIOFPSA-N 2 1 360.506 1.316 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001130608144 939905755 /nfs/dbraw/zinc/90/57/55/939905755.db2.gz ZHGGXNDTMQIDKD-CGTJXYLNSA-N 2 1 366.469 1.102 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652441 939946846 /nfs/dbraw/zinc/94/68/46/939946846.db2.gz UXKICTNTRQFFIG-LSTDLKDCSA-N 2 1 359.518 1.611 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130717626 939998663 /nfs/dbraw/zinc/99/86/63/939998663.db2.gz NAQDKTRCQBVVMT-DOTOQJQBSA-N 2 1 367.925 1.789 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130717626 939998666 /nfs/dbraw/zinc/99/86/66/939998666.db2.gz NAQDKTRCQBVVMT-DOTOQJQBSA-N 2 1 367.925 1.789 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736771 940037687 /nfs/dbraw/zinc/03/76/87/940037687.db2.gz NQTWRIJLFMCDAT-GOEBONIOSA-N 2 1 353.898 1.397 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736771 940037689 /nfs/dbraw/zinc/03/76/89/940037689.db2.gz NQTWRIJLFMCDAT-GOEBONIOSA-N 2 1 353.898 1.397 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994313 940417109 /nfs/dbraw/zinc/41/71/09/940417109.db2.gz SHIGYTLAEYOJCM-BRSBDYLESA-N 2 1 359.518 1.611 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000747405271 940419206 /nfs/dbraw/zinc/41/92/06/940419206.db2.gz YDSZVADJQPFBFX-NRFANRHFSA-N 2 1 355.482 1.227 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131012406 940444155 /nfs/dbraw/zinc/44/41/55/940444155.db2.gz HVIRNWKOENYDDD-KZNAEPCWSA-N 2 1 357.502 1.202 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086664441 940546341 /nfs/dbraw/zinc/54/63/41/940546341.db2.gz ONOVERQNCOJJBD-MJBXVCDLSA-N 2 1 360.296 1.100 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086664441 940546342 /nfs/dbraw/zinc/54/63/42/940546342.db2.gz ONOVERQNCOJJBD-MJBXVCDLSA-N 2 1 360.296 1.100 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001131564760 940740867 /nfs/dbraw/zinc/74/08/67/940740867.db2.gz UVPLSUAEXLTPPH-QUCCMNQESA-N 2 1 363.546 1.973 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000815652576 941933038 /nfs/dbraw/zinc/93/30/38/941933038.db2.gz IWFVXPXBOBLQNR-QZTJIDSGSA-N 2 1 365.518 1.946 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000815652576 941933041 /nfs/dbraw/zinc/93/30/41/941933041.db2.gz IWFVXPXBOBLQNR-QZTJIDSGSA-N 2 1 365.518 1.946 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000815652578 941933070 /nfs/dbraw/zinc/93/30/70/941933070.db2.gz IWFVXPXBOBLQNR-ZWKOTPCHSA-N 2 1 365.518 1.946 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000815652578 941933072 /nfs/dbraw/zinc/93/30/72/941933072.db2.gz IWFVXPXBOBLQNR-ZWKOTPCHSA-N 2 1 365.518 1.946 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195593820 971064173 /nfs/dbraw/zinc/06/41/73/971064173.db2.gz ANPQWOTVYNAICW-KZNAEPCWSA-N 2 1 355.523 1.227 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195593820 971064184 /nfs/dbraw/zinc/06/41/84/971064184.db2.gz ANPQWOTVYNAICW-KZNAEPCWSA-N 2 1 355.523 1.227 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195593820 971064192 /nfs/dbraw/zinc/06/41/92/971064192.db2.gz ANPQWOTVYNAICW-KZNAEPCWSA-N 2 1 355.523 1.227 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195593820 971064205 /nfs/dbraw/zinc/06/42/05/971064205.db2.gz ANPQWOTVYNAICW-KZNAEPCWSA-N 2 1 355.523 1.227 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091543988 951981982 /nfs/dbraw/zinc/98/19/82/951981982.db2.gz SXXMARVDZDGZGR-SBHAEUEKSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091543988 951981985 /nfs/dbraw/zinc/98/19/85/951981985.db2.gz SXXMARVDZDGZGR-SBHAEUEKSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091543988 951981994 /nfs/dbraw/zinc/98/19/94/951981994.db2.gz SXXMARVDZDGZGR-SBHAEUEKSA-N 2 1 352.482 1.933 20 30 FDEDMP C=CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679293 952611890 /nfs/dbraw/zinc/61/18/90/952611890.db2.gz AURNLTVAGFXBMC-BNDYYXHWSA-N 2 1 361.530 1.700 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091679797 952624561 /nfs/dbraw/zinc/62/45/61/952624561.db2.gz MTTACUNJGNCNPC-XLIONFOSSA-N 2 1 359.518 1.805 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735078 952754023 /nfs/dbraw/zinc/75/40/23/952754023.db2.gz IDEBNXWNHDDCNP-QFUCXCTJSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735078 952754025 /nfs/dbraw/zinc/75/40/25/952754025.db2.gz IDEBNXWNHDDCNP-QFUCXCTJSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735078 952754027 /nfs/dbraw/zinc/75/40/27/952754027.db2.gz IDEBNXWNHDDCNP-QFUCXCTJSA-N 2 1 359.514 1.433 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cnn(C)c1 ZINC001086982109 953034817 /nfs/dbraw/zinc/03/48/17/953034817.db2.gz UCGUXVOSFKRJEY-NZSAHSFTSA-N 2 1 359.518 1.468 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ccon4)C[C@@]3(C)C2)CC1 ZINC001092299736 954745454 /nfs/dbraw/zinc/74/54/54/954745454.db2.gz FWWDTONORUJDIY-XLIONFOSSA-N 2 1 356.470 1.300 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ccon4)C[C@@]3(C)C2)CC1 ZINC001092299736 954745460 /nfs/dbraw/zinc/74/54/60/954745460.db2.gz FWWDTONORUJDIY-XLIONFOSSA-N 2 1 356.470 1.300 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001093215387 957835876 /nfs/dbraw/zinc/83/58/76/957835876.db2.gz XJWJRNPDROMRON-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001093215387 957835882 /nfs/dbraw/zinc/83/58/82/957835882.db2.gz XJWJRNPDROMRON-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001093215387 957835892 /nfs/dbraw/zinc/83/58/92/957835892.db2.gz XJWJRNPDROMRON-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001093215387 957835902 /nfs/dbraw/zinc/83/59/02/957835902.db2.gz XJWJRNPDROMRON-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2C)CC1 ZINC001093224337 957854188 /nfs/dbraw/zinc/85/41/88/957854188.db2.gz QXAQBNKIGDHTLZ-IEBWSBKVSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)n(C)n3)C[C@H]2C)CC1 ZINC001093224444 957856996 /nfs/dbraw/zinc/85/69/96/957856996.db2.gz WKCYBOTYVWXSLA-VQIMIIECSA-N 2 1 371.529 1.258 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001093673263 958516546 /nfs/dbraw/zinc/51/65/46/958516546.db2.gz NTJVQLMMCIAXRP-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2snnc2C)[C@H](C)C1 ZINC001093832866 958926190 /nfs/dbraw/zinc/92/61/90/958926190.db2.gz DPPIIEZWSGQHIS-BMFZPTHFSA-N 2 1 361.515 1.128 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2snnc2C)[C@H](C)C1 ZINC001093832866 958926193 /nfs/dbraw/zinc/92/61/93/958926193.db2.gz DPPIIEZWSGQHIS-BMFZPTHFSA-N 2 1 361.515 1.128 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001094219160 960035808 /nfs/dbraw/zinc/03/58/08/960035808.db2.gz FRVBTNVWMBQDEE-SZVBFZGTSA-N 2 1 370.497 1.703 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cccn1)CC2 ZINC001094436207 960429157 /nfs/dbraw/zinc/42/91/57/960429157.db2.gz BYYGNVHSVTWSAM-QKNQBKEWSA-N 2 1 369.513 1.342 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cccn1)CC2 ZINC001094436207 960429160 /nfs/dbraw/zinc/42/91/60/960429160.db2.gz BYYGNVHSVTWSAM-QKNQBKEWSA-N 2 1 369.513 1.342 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCn1cccn1)CC2 ZINC001094436207 960429164 /nfs/dbraw/zinc/42/91/64/960429164.db2.gz BYYGNVHSVTWSAM-QKNQBKEWSA-N 2 1 369.513 1.342 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCn1cccn1)CC2 ZINC001094436207 960429170 /nfs/dbraw/zinc/42/91/70/960429170.db2.gz BYYGNVHSVTWSAM-QKNQBKEWSA-N 2 1 369.513 1.342 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)C2)O1 ZINC001183576222 963147469 /nfs/dbraw/zinc/14/74/69/963147469.db2.gz HFGMBYMPNVBUCD-ATZDWAIDSA-N 2 1 359.445 1.087 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]CC#Cc3ccc(F)cc3)C2)O1 ZINC001183576222 963147482 /nfs/dbraw/zinc/14/74/82/963147482.db2.gz HFGMBYMPNVBUCD-ATZDWAIDSA-N 2 1 359.445 1.087 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189424889 966968934 /nfs/dbraw/zinc/96/89/34/966968934.db2.gz GERHHXHDWBONJA-VQTJNVASSA-N 2 1 355.482 1.544 20 30 FDEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001189801764 967304124 /nfs/dbraw/zinc/30/41/24/967304124.db2.gz LTIFHHQMNAZPFJ-WMLDXEAASA-N 2 1 362.499 1.231 20 30 FDEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]21 ZINC001189801764 967304133 /nfs/dbraw/zinc/30/41/33/967304133.db2.gz LTIFHHQMNAZPFJ-WMLDXEAASA-N 2 1 362.499 1.231 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168359 967619567 /nfs/dbraw/zinc/61/95/67/967619567.db2.gz PVJTYZWPLRIOAY-ZWKOTPCHSA-N 2 1 362.518 1.040 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190168359 967619574 /nfs/dbraw/zinc/61/95/74/967619574.db2.gz PVJTYZWPLRIOAY-ZWKOTPCHSA-N 2 1 362.518 1.040 20 30 FDEDMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852860788 967666555 /nfs/dbraw/zinc/66/65/55/967666555.db2.gz VAJKHNBQJDUCKR-GOSISDBHSA-N 2 1 354.454 1.078 20 30 FDEDMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852860788 967666558 /nfs/dbraw/zinc/66/65/58/967666558.db2.gz VAJKHNBQJDUCKR-GOSISDBHSA-N 2 1 354.454 1.078 20 30 FDEDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852863133 967668483 /nfs/dbraw/zinc/66/84/83/967668483.db2.gz ACCAGHOVRFRRPB-GOSISDBHSA-N 2 1 368.481 1.325 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190319178 967731931 /nfs/dbraw/zinc/73/19/31/967731931.db2.gz YHFJLXJQPQFLOK-FGTMMUONSA-N 2 1 362.518 1.086 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cc1 ZINC001198729167 973426511 /nfs/dbraw/zinc/42/65/11/973426511.db2.gz DZKUMDBJRPSSMV-WOJBJXKFSA-N 2 1 370.497 1.486 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)cc1 ZINC001198729167 973426518 /nfs/dbraw/zinc/42/65/18/973426518.db2.gz DZKUMDBJRPSSMV-WOJBJXKFSA-N 2 1 370.497 1.486 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849064021 977299912 /nfs/dbraw/zinc/29/99/12/977299912.db2.gz YPHQLKGBIURVKC-FQEVSTJZSA-N 2 1 373.545 1.396 20 30 FDEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000131059206 981968888 /nfs/dbraw/zinc/96/88/88/981968888.db2.gz JLSURDWTBAWUTD-HBFSDRIKSA-N 2 1 366.550 1.547 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000884186594 982962891 /nfs/dbraw/zinc/96/28/91/982962891.db2.gz DTTSWIFDDXTMGR-SCCNAQOGSA-N 2 1 368.481 1.274 20 30 FDEDMP C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000884308312 983072621 /nfs/dbraw/zinc/07/26/21/983072621.db2.gz LRQSVVBYNBTSOW-UXHICEINSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000884308312 983072628 /nfs/dbraw/zinc/07/26/28/983072628.db2.gz LRQSVVBYNBTSOW-UXHICEINSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000884308312 983072633 /nfs/dbraw/zinc/07/26/33/983072633.db2.gz LRQSVVBYNBTSOW-UXHICEINSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000884308312 983072639 /nfs/dbraw/zinc/07/26/39/983072639.db2.gz LRQSVVBYNBTSOW-UXHICEINSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000884308312 983072642 /nfs/dbraw/zinc/07/26/42/983072642.db2.gz LRQSVVBYNBTSOW-UXHICEINSA-N 2 1 354.498 1.905 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000360890815 988195113 /nfs/dbraw/zinc/19/51/13/988195113.db2.gz UBOXUCWZFGOVNS-RBUKOAKNSA-N 2 1 364.534 1.658 20 30 FDEDMP CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)CC1 ZINC000362308612 988630534 /nfs/dbraw/zinc/63/05/34/988630534.db2.gz GDGDJPHVKMWSMM-ZRNYENFQSA-N 2 1 373.545 1.095 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC1 ZINC000368310886 988988541 /nfs/dbraw/zinc/98/85/41/988988541.db2.gz TZAPFZWKORTDNZ-UHFFFAOYSA-N 2 1 357.502 1.329 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC1 ZINC000368310886 988988546 /nfs/dbraw/zinc/98/85/46/988988546.db2.gz TZAPFZWKORTDNZ-UHFFFAOYSA-N 2 1 357.502 1.329 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000296201414 989034724 /nfs/dbraw/zinc/03/47/24/989034724.db2.gz CNEYGWDKQFQSNS-FQEVSTJZSA-N 2 1 356.514 1.805 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000296201414 989034738 /nfs/dbraw/zinc/03/47/38/989034738.db2.gz CNEYGWDKQFQSNS-FQEVSTJZSA-N 2 1 356.514 1.805 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000363706414 989400808 /nfs/dbraw/zinc/40/08/08/989400808.db2.gz NEIGDAAHXOYMOY-LSTHTHJFSA-N 2 1 370.497 1.653 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000363706414 989400814 /nfs/dbraw/zinc/40/08/14/989400814.db2.gz NEIGDAAHXOYMOY-LSTHTHJFSA-N 2 1 370.497 1.653 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000297160549 989486604 /nfs/dbraw/zinc/48/66/04/989486604.db2.gz DPUWFCICEMZJOZ-FQEVSTJZSA-N 2 1 372.513 1.398 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000297160549 989486612 /nfs/dbraw/zinc/48/66/12/989486612.db2.gz DPUWFCICEMZJOZ-FQEVSTJZSA-N 2 1 372.513 1.398 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000297160549 989486620 /nfs/dbraw/zinc/48/66/20/989486620.db2.gz DPUWFCICEMZJOZ-FQEVSTJZSA-N 2 1 372.513 1.398 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000297868764 989733230 /nfs/dbraw/zinc/73/32/30/989733230.db2.gz IKEBNNKSZSCWKE-UHFFFAOYSA-N 2 1 372.513 1.398 20 30 FDEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)N3CCO[C@H](C#N)C3)CC2)CC1 ZINC000371093182 990242832 /nfs/dbraw/zinc/24/28/32/990242832.db2.gz JGRQVUQITODOER-GOSISDBHSA-N 2 1 363.506 1.117 20 30 FDEDMP CN(C)c1ccc(C#N)cc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000877549071 993334449 /nfs/dbraw/zinc/33/44/49/993334449.db2.gz XPQWKPKZNDAHGD-UHFFFAOYSA-N 2 1 357.502 1.706 20 30 FDEDMP [NH2+]=C(NCCCN1CCOCC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000264063380 997393116 /nfs/dbraw/zinc/39/31/16/997393116.db2.gz ACCASSRQLHZDDD-UHFFFAOYSA-N 2 1 359.518 1.061 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000264063380 997393124 /nfs/dbraw/zinc/39/31/24/997393124.db2.gz ACCASSRQLHZDDD-UHFFFAOYSA-N 3 1 359.518 1.061 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000264063380 997393136 /nfs/dbraw/zinc/39/31/36/997393136.db2.gz ACCASSRQLHZDDD-UHFFFAOYSA-N 3 1 359.518 1.061 20 30 FDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1 ZINC000264067213 997393369 /nfs/dbraw/zinc/39/33/69/997393369.db2.gz BTDRFASLMYXZJH-UHFFFAOYSA-N 2 1 363.506 1.848 20 30 FDEDMP C[NH+]=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCc1ccco1 ZINC000264072556 997395083 /nfs/dbraw/zinc/39/50/83/997395083.db2.gz SDZYOHMWZLYXAP-UHFFFAOYSA-N 2 1 356.474 1.552 20 30 FDEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])NCCCN1CCOCC1 ZINC000264079365 997397214 /nfs/dbraw/zinc/39/72/14/997397214.db2.gz IFEZPQNWAMKDJC-UHFFFAOYSA-N 2 1 361.534 1.653 20 30 FDEDMP CC(C)[N@H+](C)Cc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264079365 997397222 /nfs/dbraw/zinc/39/72/22/997397222.db2.gz IFEZPQNWAMKDJC-UHFFFAOYSA-N 3 1 361.534 1.653 20 30 FDEDMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264079365 997397228 /nfs/dbraw/zinc/39/72/28/997397228.db2.gz IFEZPQNWAMKDJC-UHFFFAOYSA-N 3 1 361.534 1.653 20 30 FDEDMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1 ZINC000264082464 997398485 /nfs/dbraw/zinc/39/84/85/997398485.db2.gz HZQQXBFXNZDFNE-UHFFFAOYSA-N 2 1 367.501 1.565 20 30 FDEDMP Cc1ccc([C@@H](CNC(=[NH2+])NCCCN2CCOCC2)[NH+]2CCCC2)o1 ZINC000264257721 997440419 /nfs/dbraw/zinc/44/04/19/997440419.db2.gz ILDLTDSNHGKEKC-QGZVFWFLSA-N 2 1 363.506 1.352 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000104170647 998313915 /nfs/dbraw/zinc/31/39/15/998313915.db2.gz KQFJZUDJTPJNIJ-QUCCMNQESA-N 2 1 372.561 1.586 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862409 999069559 /nfs/dbraw/zinc/06/95/59/999069559.db2.gz OGLFQXUGUAYKFQ-ZACQAIPSSA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862409 999069565 /nfs/dbraw/zinc/06/95/65/999069565.db2.gz OGLFQXUGUAYKFQ-ZACQAIPSSA-N 2 1 362.518 1.275 20 30 FDEDMP C#CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000931062596 1003835272 /nfs/dbraw/zinc/83/52/72/1003835272.db2.gz RNGAZGMPXYMJQN-LJQANCHMSA-N 2 1 374.529 1.066 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169258 1006582489 /nfs/dbraw/zinc/58/24/89/1006582489.db2.gz KNOITPIUDVGUEG-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](CC)CC)C2 ZINC001111169258 1006582500 /nfs/dbraw/zinc/58/25/00/1006582500.db2.gz KNOITPIUDVGUEG-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[N@@H+]1C ZINC000959973845 1009236593 /nfs/dbraw/zinc/23/65/93/1009236593.db2.gz NAJOXVVKMCBMND-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[N@H+]1C ZINC000959973845 1009236599 /nfs/dbraw/zinc/23/65/99/1009236599.db2.gz NAJOXVVKMCBMND-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[NH+]1C ZINC000959973845 1009236605 /nfs/dbraw/zinc/23/66/05/1009236605.db2.gz NAJOXVVKMCBMND-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[NH+]1C ZINC000959973845 1009236608 /nfs/dbraw/zinc/23/66/08/1009236608.db2.gz NAJOXVVKMCBMND-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303972088 1009783421 /nfs/dbraw/zinc/78/34/21/1009783421.db2.gz FMQJWWQNYFPFDK-SFHVURJKSA-N 2 1 359.518 1.637 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530579374 540004495 /nfs/dbraw/zinc/00/44/95/540004495.db2.gz CRHFFIYILYCWCG-NRFANRHFSA-N 2 1 357.498 1.780 20 30 FDEDMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000551220038 543253843 /nfs/dbraw/zinc/25/38/43/543253843.db2.gz HCDUBPPSQXBBQJ-UHFFFAOYSA-N 2 1 350.426 1.831 20 30 FDEDMP O=C(NCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1N=CC=CC1=O ZINC000180880031 525771209 /nfs/dbraw/zinc/77/12/09/525771209.db2.gz JTJMHVBMFGKVNI-MRCUWXFGSA-N 2 1 368.481 1.810 20 30 FDEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109751287 526171909 /nfs/dbraw/zinc/17/19/09/526171909.db2.gz ZVAJENYVINKOJL-HXUWFJFHSA-N 2 1 369.513 1.989 20 30 FDEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109751287 526171920 /nfs/dbraw/zinc/17/19/20/526171920.db2.gz ZVAJENYVINKOJL-HXUWFJFHSA-N 2 1 369.513 1.989 20 30 FDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182965649 535896504 /nfs/dbraw/zinc/89/65/04/535896504.db2.gz WIWVVPGRQAVZHP-HXUWFJFHSA-N 2 1 369.513 1.623 20 30 FDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(c2ccccn2)CC1 ZINC000262798667 536903919 /nfs/dbraw/zinc/90/39/19/536903919.db2.gz QGMRQOMYDGGOTD-SFHVURJKSA-N 2 1 362.547 1.216 20 30 FDEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262814692 536908770 /nfs/dbraw/zinc/90/87/70/536908770.db2.gz WIKOJIULAYHUKT-UHFFFAOYSA-N 2 1 361.490 1.487 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000561794601 545954325 /nfs/dbraw/zinc/95/43/25/545954325.db2.gz SNJRBPHNNBAINA-UHFFFAOYSA-N 2 1 358.486 1.607 20 30 FDEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000577709233 550685483 /nfs/dbraw/zinc/68/54/83/550685483.db2.gz DNXZMUGMYGEHLQ-WOJBJXKFSA-N 2 1 370.497 1.972 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+](CC)CC1)C(C)C ZINC000577755450 550691809 /nfs/dbraw/zinc/69/18/09/550691809.db2.gz RNKCMIIGPJMVOT-SFHVURJKSA-N 2 1 364.534 1.355 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000591359153 551866001 /nfs/dbraw/zinc/86/60/01/551866001.db2.gz QTDSBARWWUKFKH-LJQANCHMSA-N 2 1 355.486 1.775 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCN(C)CC2)CC1 ZINC000592343573 551982641 /nfs/dbraw/zinc/98/26/41/551982641.db2.gz DZEBHDRLYNKGJX-UHFFFAOYSA-N 2 1 351.539 1.352 20 30 FDEDMP C[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593319637 552089219 /nfs/dbraw/zinc/08/92/19/552089219.db2.gz LWQBKELNORGXOA-LJQANCHMSA-N 2 1 355.486 1.916 20 30 FDEDMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438804 552310674 /nfs/dbraw/zinc/31/06/74/552310674.db2.gz LVCBWOAERKLEAN-HKUYNNGSSA-N 2 1 357.502 1.725 20 30 FDEDMP N#Cc1ccc(C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)nc1 ZINC000602910456 553667060 /nfs/dbraw/zinc/66/70/60/553667060.db2.gz RRPKLSQPNUFYIZ-UHFFFAOYSA-N 2 1 367.497 1.876 20 30 FDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)C1 ZINC000610988663 554591463 /nfs/dbraw/zinc/59/14/63/554591463.db2.gz JSYIIZKITCDZOP-PMACEKPBSA-N 2 1 372.513 1.204 20 30 FDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)C1 ZINC000610988663 554591465 /nfs/dbraw/zinc/59/14/65/554591465.db2.gz JSYIIZKITCDZOP-PMACEKPBSA-N 2 1 372.513 1.204 20 30 FDEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000277198787 674882148 /nfs/dbraw/zinc/88/21/48/674882148.db2.gz DOGMWIDCTLJDPU-AWEZNQCLSA-N 2 1 350.463 1.931 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1cc(OC)cc(OC)c1 ZINC000123578711 671727914 /nfs/dbraw/zinc/72/79/14/671727914.db2.gz MZRQLUYLLGFIPJ-AWEZNQCLSA-N 2 1 350.463 1.471 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261658768 672644935 /nfs/dbraw/zinc/64/49/35/672644935.db2.gz BLRHFLLTGQOERM-INIZCTEOSA-N 2 1 351.539 1.625 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943290 672698671 /nfs/dbraw/zinc/69/86/71/672698671.db2.gz FCKJGWNZGVATJD-INIZCTEOSA-N 2 1 372.579 1.439 20 30 FDEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@H](C)C1)NC1CCN(C(C)=O)CC1 ZINC000262176883 672741053 /nfs/dbraw/zinc/74/10/53/672741053.db2.gz DDDCLERBHGGHMW-HOTGVXAUSA-N 2 1 351.539 1.673 20 30 FDEDMP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262439894 672789718 /nfs/dbraw/zinc/78/97/18/672789718.db2.gz UKKXABXDRDBBII-XYTVBORESA-N 2 1 370.563 1.380 20 30 FDEDMP C=CCNC(NC[C@@H]1CCS(=O)(=O)C1)=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262442584 672790356 /nfs/dbraw/zinc/79/03/56/672790356.db2.gz UTUUOUFYBIPFBS-XYTVBORESA-N 2 1 368.547 1.158 20 30 FDEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC2(C1)CCOCC2 ZINC000262818385 672851279 /nfs/dbraw/zinc/85/12/79/672851279.db2.gz WELCXFJBGHTEQL-GOSISDBHSA-N 2 1 354.564 1.892 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262825371 672851541 /nfs/dbraw/zinc/85/15/41/672851541.db2.gz XZCIQHSHWAENJO-PKOBYXMFSA-N 3 1 367.607 1.807 20 30 FDEDMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000328728993 676604551 /nfs/dbraw/zinc/60/45/51/676604551.db2.gz VVBLVRGYLLSVCT-IAGOWNOFSA-N 2 1 352.523 1.723 20 30 FDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000329399129 676637098 /nfs/dbraw/zinc/63/70/98/676637098.db2.gz YHLUYLUHGSGGJW-MRXNPFEDSA-N 2 1 369.579 1.097 20 30 FDEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H]1C ZINC000329806068 676657902 /nfs/dbraw/zinc/65/79/02/676657902.db2.gz AWMNZIZNJAYRBF-IRXDYDNUSA-N 2 1 354.539 1.942 20 30 FDEDMP Cc1[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)ccc1CC#N ZINC001164754123 720964624 /nfs/dbraw/zinc/96/46/24/720964624.db2.gz MBUCSSSZWPRHCU-UHFFFAOYSA-N 2 1 368.441 1.298 20 30 FDEDMP C=C(C)CN1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194023 771234377 /nfs/dbraw/zinc/23/43/77/771234377.db2.gz RSSPGRDWECCYNC-FRQCXROJSA-N 2 1 353.482 1.687 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194023 771234383 /nfs/dbraw/zinc/23/43/83/771234383.db2.gz RSSPGRDWECCYNC-FRQCXROJSA-N 2 1 353.482 1.687 20 30 FDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194023 771234396 /nfs/dbraw/zinc/23/43/96/771234396.db2.gz RSSPGRDWECCYNC-FRQCXROJSA-N 2 1 353.482 1.687 20 30 FDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194023 771234405 /nfs/dbraw/zinc/23/44/05/771234405.db2.gz RSSPGRDWECCYNC-FRQCXROJSA-N 2 1 353.482 1.687 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccn2CC)C1 ZINC001104306033 774438798 /nfs/dbraw/zinc/43/87/98/774438798.db2.gz HEHVRNVWIXCVBD-QRVBRYPASA-N 2 1 371.529 1.575 20 30 FDEDMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC000971561116 777642981 /nfs/dbraw/zinc/64/29/81/777642981.db2.gz SFQSRTWGPOHAFV-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000971561116 777642982 /nfs/dbraw/zinc/64/29/82/777642982.db2.gz SFQSRTWGPOHAFV-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000971561116 777642983 /nfs/dbraw/zinc/64/29/83/777642983.db2.gz SFQSRTWGPOHAFV-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000328855679 779026181 /nfs/dbraw/zinc/02/61/81/779026181.db2.gz XRRXCECCYVDNCV-UHFFFAOYSA-N 2 1 365.522 1.015 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000375889065 785223826 /nfs/dbraw/zinc/22/38/26/785223826.db2.gz JADZOHCQGXGPCV-HXUWFJFHSA-N 2 1 369.513 1.275 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000375889065 785223835 /nfs/dbraw/zinc/22/38/35/785223835.db2.gz JADZOHCQGXGPCV-HXUWFJFHSA-N 2 1 369.513 1.275 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCC(C)(C)C)C[C@@H]32)CC1 ZINC001083283461 791200438 /nfs/dbraw/zinc/20/04/38/791200438.db2.gz CFFFXWLYCDFKOH-RBUKOAKNSA-N 2 1 361.530 1.679 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105067229 795129560 /nfs/dbraw/zinc/12/95/60/795129560.db2.gz SIJZYDHBHSRCPN-IXDOHACOSA-N 2 1 352.523 1.092 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659577 800085242 /nfs/dbraw/zinc/08/52/42/800085242.db2.gz NOXSEPCPKOWXSB-HBMCJLEFSA-N 2 1 369.509 1.703 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659577 800085249 /nfs/dbraw/zinc/08/52/49/800085249.db2.gz NOXSEPCPKOWXSB-HBMCJLEFSA-N 2 1 369.509 1.703 20 30 FDEDMP C=CC[C@]1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662674723 806949916 /nfs/dbraw/zinc/94/99/16/806949916.db2.gz FVYWFVMGEXURKB-OAQYLSRUSA-N 2 1 370.497 1.389 20 30 FDEDMP C=CC[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000662685833 806958703 /nfs/dbraw/zinc/95/87/03/806958703.db2.gz YUOWNWNCHDWEPO-FXAWDEMLSA-N 2 1 356.470 1.773 20 30 FDEDMP C=CC[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000662685833 806958706 /nfs/dbraw/zinc/95/87/06/806958706.db2.gz YUOWNWNCHDWEPO-FXAWDEMLSA-N 2 1 356.470 1.773 20 30 FDEDMP C=CC[C@@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662709896 802827281 /nfs/dbraw/zinc/82/72/81/802827281.db2.gz UQCRAUQCJWKTRX-NRFANRHFSA-N 2 1 370.497 1.145 20 30 FDEDMP C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261860919 811333769 /nfs/dbraw/zinc/33/37/69/811333769.db2.gz YLRYJELLFNPXHT-LAUBAEHRSA-N 2 1 372.513 1.050 20 30 FDEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000261935019 811348099 /nfs/dbraw/zinc/34/80/99/811348099.db2.gz CEYXMFCRXMDHTN-DOTOQJQBSA-N 2 1 367.501 1.552 20 30 FDEDMP C#Cc1cccc(NC(=O)CNC(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)=[NH+]C)c1 ZINC000261962815 811354812 /nfs/dbraw/zinc/35/48/12/811354812.db2.gz KQIVEHFRWHBENU-KDOFPFPSSA-N 2 1 353.470 1.254 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N1CC[C@@]2(CCOC2)C1 ZINC000261980642 817904161 /nfs/dbraw/zinc/90/41/61/817904161.db2.gz OUGVFCFEFADFGO-HXUWFJFHSA-N 2 1 356.514 1.773 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087471391 818079924 /nfs/dbraw/zinc/07/99/24/818079924.db2.gz AYGROTPQCXSFDB-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087471391 818079932 /nfs/dbraw/zinc/07/99/32/818079932.db2.gz AYGROTPQCXSFDB-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087471391 818079940 /nfs/dbraw/zinc/07/99/40/818079940.db2.gz AYGROTPQCXSFDB-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087471391 818079950 /nfs/dbraw/zinc/07/99/50/818079950.db2.gz AYGROTPQCXSFDB-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3)[C@@H]2CC)CC1 ZINC001087840279 822559250 /nfs/dbraw/zinc/55/92/50/822559250.db2.gz OZHFAVCLDKFQPW-VQTJNVASSA-N 2 1 354.498 1.896 20 30 FDEDMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329765122 825436338 /nfs/dbraw/zinc/43/63/38/825436338.db2.gz WPFVIRCMLBZPLT-UXDRXVOSSA-N 2 1 366.550 1.940 20 30 FDEDMP Cc1cc(N2CCC(NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)nc(C)[nH+]1 ZINC000330182738 825710214 /nfs/dbraw/zinc/71/02/14/825710214.db2.gz HMMZOHHBFWAEQD-INIZCTEOSA-N 2 1 358.490 1.803 20 30 FDEDMP Cc1cc(N2CCC(NC(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)nc(C)[nH+]1 ZINC000330182738 825710217 /nfs/dbraw/zinc/71/02/17/825710217.db2.gz HMMZOHHBFWAEQD-INIZCTEOSA-N 2 1 358.490 1.803 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CCC[N@@H+]1C ZINC000330220905 825739747 /nfs/dbraw/zinc/73/97/47/825739747.db2.gz QQMORCBDXLLOPW-ILZDJORESA-N 2 1 374.533 1.745 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CCC[N@H+]1C ZINC000330220905 825739754 /nfs/dbraw/zinc/73/97/54/825739754.db2.gz QQMORCBDXLLOPW-ILZDJORESA-N 2 1 374.533 1.745 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)c1 ZINC001088171922 827241280 /nfs/dbraw/zinc/24/12/80/827241280.db2.gz NDTPBEHFIICNDR-UXHICEINSA-N 2 1 364.493 1.934 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001088200143 827434578 /nfs/dbraw/zinc/43/45/78/827434578.db2.gz QTBBFKLTCIIODJ-AQNXPRMDSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001088200143 827434580 /nfs/dbraw/zinc/43/45/80/827434580.db2.gz QTBBFKLTCIIODJ-AQNXPRMDSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4C#N)CC[C@@H]3C2)C1 ZINC001088200143 827434582 /nfs/dbraw/zinc/43/45/82/827434582.db2.gz QTBBFKLTCIIODJ-AQNXPRMDSA-N 2 1 352.482 1.790 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H](CC)OC)CC[C@@H]3C2)CC1 ZINC001088211800 827492932 /nfs/dbraw/zinc/49/29/32/827492932.db2.gz ARZKRTWMBDPURW-HSALFYBXSA-N 2 1 361.530 1.537 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@@H]4CCOC4)CC[C@@H]3C2)CC1 ZINC001088211889 827493081 /nfs/dbraw/zinc/49/30/81/827493081.db2.gz DYUMUMODEGPRQU-SXLOBPIMSA-N 2 1 359.514 1.148 20 30 FDEDMP C[N@H+]1CCC[C@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406544 829389505 /nfs/dbraw/zinc/38/95/05/829389505.db2.gz ONNAMEJBBWOKTC-QFBILLFUSA-N 2 1 351.450 1.702 20 30 FDEDMP C[N@@H+]1CCC[C@H]2C[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406544 829389515 /nfs/dbraw/zinc/38/95/15/829389515.db2.gz ONNAMEJBBWOKTC-QFBILLFUSA-N 2 1 351.450 1.702 20 30 FDEDMP C[N@H+]1CCC[C@H]2C[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406544 829389526 /nfs/dbraw/zinc/38/95/26/829389526.db2.gz ONNAMEJBBWOKTC-QFBILLFUSA-N 2 1 351.450 1.702 20 30 FDEDMP C[NH+]1CCC[C@H]2C[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406544 829389536 /nfs/dbraw/zinc/38/95/36/829389536.db2.gz ONNAMEJBBWOKTC-QFBILLFUSA-N 2 1 351.450 1.702 20 30 FDEDMP C[NH+]1CCC[C@H]2C[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406544 829389547 /nfs/dbraw/zinc/38/95/47/829389547.db2.gz ONNAMEJBBWOKTC-QFBILLFUSA-N 2 1 351.450 1.702 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105670135 844353471 /nfs/dbraw/zinc/35/34/71/844353471.db2.gz YAZGDFNWOVEQSN-IZBJGVDFSA-N 2 1 351.535 1.870 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC001088749704 842885061 /nfs/dbraw/zinc/88/50/61/842885061.db2.gz KGJJZCCBJYWCQV-APWZRJJASA-N 2 1 367.453 1.873 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC001088749704 842885076 /nfs/dbraw/zinc/88/50/76/842885076.db2.gz KGJJZCCBJYWCQV-APWZRJJASA-N 2 1 367.453 1.873 20 30 FDEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242734 847667881 /nfs/dbraw/zinc/66/78/81/847667881.db2.gz PTDWGZFEHFLKKO-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242734 847667886 /nfs/dbraw/zinc/66/78/86/847667886.db2.gz PTDWGZFEHFLKKO-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242734 847667888 /nfs/dbraw/zinc/66/78/88/847667888.db2.gz PTDWGZFEHFLKKO-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001076467785 848194822 /nfs/dbraw/zinc/19/48/22/848194822.db2.gz SHBRBCIUIWBSFQ-RBUKOAKNSA-N 2 1 350.466 1.687 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]32)CC1 ZINC001076604516 848553284 /nfs/dbraw/zinc/55/32/84/848553284.db2.gz JYPJUDSYWBRTEB-AZUAARDMSA-N 2 1 352.482 1.460 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N[C@@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000912037199 859251530 /nfs/dbraw/zinc/25/15/30/859251530.db2.gz KTWMDXMFSDKPNC-FQEVSTJZSA-N 2 1 359.470 1.428 20 30 FDEDMP C=CC[NH+]=C(NCc1ccc(O)cc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000912517984 859842070 /nfs/dbraw/zinc/84/20/70/859842070.db2.gz IUWZTJSRABKKTC-SFHVURJKSA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669033975 860847132 /nfs/dbraw/zinc/84/71/32/860847132.db2.gz FAOYQXNBSCSCRA-BBWFWOEESA-N 2 1 360.506 1.530 20 30 FDEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000170911962 865016200 /nfs/dbraw/zinc/01/62/00/865016200.db2.gz SZBYHMLIDBAVLR-UHFFFAOYSA-N 2 1 352.486 1.480 20 30 FDEDMP C#CCN(C(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000913992916 870260675 /nfs/dbraw/zinc/26/06/75/870260675.db2.gz LOZBIUYVZFHQPO-SFHVURJKSA-N 2 1 350.507 1.082 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245861 874101475 /nfs/dbraw/zinc/10/14/75/874101475.db2.gz FMJNGDOFCQJICA-FVQBIDKESA-N 2 1 353.898 1.250 20 30 FDEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]2C)C1=O ZINC001106340348 874838925 /nfs/dbraw/zinc/83/89/25/874838925.db2.gz TWFJKIAQXORROK-BRWVUGGUSA-N 2 1 364.534 1.188 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640893 879994046 /nfs/dbraw/zinc/99/40/46/879994046.db2.gz WVDNWLJNKLEXMG-WCXIOVBPSA-N 2 1 355.910 1.628 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640893 879994049 /nfs/dbraw/zinc/99/40/49/879994049.db2.gz WVDNWLJNKLEXMG-WCXIOVBPSA-N 2 1 355.910 1.628 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640893 879994059 /nfs/dbraw/zinc/99/40/59/879994059.db2.gz WVDNWLJNKLEXMG-WCXIOVBPSA-N 2 1 355.910 1.628 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946640893 879994067 /nfs/dbraw/zinc/99/40/67/879994067.db2.gz WVDNWLJNKLEXMG-WCXIOVBPSA-N 2 1 355.910 1.628 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC001034971001 885400458 /nfs/dbraw/zinc/40/04/58/885400458.db2.gz AIJNCRQCSUTHGO-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC001034971001 885400473 /nfs/dbraw/zinc/40/04/73/885400473.db2.gz AIJNCRQCSUTHGO-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)O1 ZINC001034971020 885400703 /nfs/dbraw/zinc/40/07/03/885400703.db2.gz ASVHHUQDYBKKST-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)O1 ZINC001034971020 885400713 /nfs/dbraw/zinc/40/07/13/885400713.db2.gz ASVHHUQDYBKKST-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276326 887292863 /nfs/dbraw/zinc/29/28/63/887292863.db2.gz FUKZTGZVWZBFCR-SQNIBIBYSA-N 2 1 364.538 1.930 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999986962 896519064 /nfs/dbraw/zinc/51/90/64/896519064.db2.gz LJIYVUHIACELRH-BPQIPLTHSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986962 896519081 /nfs/dbraw/zinc/51/90/81/896519081.db2.gz LJIYVUHIACELRH-BPQIPLTHSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986962 896519094 /nfs/dbraw/zinc/51/90/94/896519094.db2.gz LJIYVUHIACELRH-BPQIPLTHSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079176751 902060941 /nfs/dbraw/zinc/06/09/41/902060941.db2.gz PHCCCYOPBVVHLY-IPMKNSEASA-N 2 1 361.461 1.616 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079176751 902060944 /nfs/dbraw/zinc/06/09/44/902060944.db2.gz PHCCCYOPBVVHLY-IPMKNSEASA-N 2 1 361.461 1.616 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243084 902340850 /nfs/dbraw/zinc/34/08/50/902340850.db2.gz KBFGNKKLOWSQNP-AKHDSKFASA-N 2 1 359.514 1.289 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)O1 ZINC000995959814 902791845 /nfs/dbraw/zinc/79/18/45/902791845.db2.gz SJSZJOLAJUTESW-ATZDWAIDSA-N 2 1 370.497 1.604 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)O1 ZINC000995959814 902791852 /nfs/dbraw/zinc/79/18/52/902791852.db2.gz SJSZJOLAJUTESW-ATZDWAIDSA-N 2 1 370.497 1.604 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001080255048 905062813 /nfs/dbraw/zinc/06/28/13/905062813.db2.gz NQJNIQNYZGBNPK-ZACQAIPSSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001080255048 905062833 /nfs/dbraw/zinc/06/28/33/905062833.db2.gz NQJNIQNYZGBNPK-ZACQAIPSSA-N 2 1 362.518 1.084 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382591 905289505 /nfs/dbraw/zinc/28/95/05/905289505.db2.gz SQJUQCFNTIKLIC-AUUYWEPGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080382591 905289524 /nfs/dbraw/zinc/28/95/24/905289524.db2.gz SQJUQCFNTIKLIC-AUUYWEPGSA-N 2 1 358.461 1.976 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518447 905328293 /nfs/dbraw/zinc/32/82/93/905328293.db2.gz UHJQCQLMSZEIGW-CTAFRAEOSA-N 2 1 361.530 1.727 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518447 905328306 /nfs/dbraw/zinc/32/83/06/905328306.db2.gz UHJQCQLMSZEIGW-CTAFRAEOSA-N 2 1 361.530 1.727 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001107518447 905328320 /nfs/dbraw/zinc/32/83/20/905328320.db2.gz UHJQCQLMSZEIGW-CTAFRAEOSA-N 2 1 361.530 1.727 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159713 906086462 /nfs/dbraw/zinc/08/64/62/906086462.db2.gz MCGUDGXYMVHAMZ-IYWMVGAKSA-N 2 1 355.482 1.171 20 30 FDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159713 906086485 /nfs/dbraw/zinc/08/64/85/906086485.db2.gz MCGUDGXYMVHAMZ-IYWMVGAKSA-N 2 1 355.482 1.171 20 30 FDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159713 906086505 /nfs/dbraw/zinc/08/65/05/906086505.db2.gz MCGUDGXYMVHAMZ-IYWMVGAKSA-N 2 1 355.482 1.171 20 30 FDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159713 906086531 /nfs/dbraw/zinc/08/65/31/906086531.db2.gz MCGUDGXYMVHAMZ-IYWMVGAKSA-N 2 1 355.482 1.171 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787764 906316486 /nfs/dbraw/zinc/31/64/86/906316486.db2.gz QTXJBEZVFDGMHR-VQIMIIECSA-N 2 1 368.481 1.621 20 30 FDEDMP CC#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001127832855 906473170 /nfs/dbraw/zinc/47/31/70/906473170.db2.gz QUIQRFPMEMNEOJ-NZSAHSFTSA-N 2 1 369.513 1.230 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)nc3)C[C@H]2C)CC1 ZINC001080997973 906973858 /nfs/dbraw/zinc/97/38/58/906973858.db2.gz QOKVWEBFCUSHTD-VQIMIIECSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)nc3)C[C@H]2C)CC1 ZINC001080997973 906973863 /nfs/dbraw/zinc/97/38/63/906973863.db2.gz QOKVWEBFCUSHTD-VQIMIIECSA-N 2 1 370.497 1.372 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082520778 908223382 /nfs/dbraw/zinc/22/33/82/908223382.db2.gz SCPXVMUEQDSGIQ-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084773481 917028154 /nfs/dbraw/zinc/02/81/54/917028154.db2.gz RIJMLNBEYGAQEL-NJDAHSKKSA-N 2 1 351.494 1.913 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084773481 917028167 /nfs/dbraw/zinc/02/81/67/917028167.db2.gz RIJMLNBEYGAQEL-NJDAHSKKSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084773481 917028185 /nfs/dbraw/zinc/02/81/85/917028185.db2.gz RIJMLNBEYGAQEL-NJDAHSKKSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084773481 917028196 /nfs/dbraw/zinc/02/81/96/917028196.db2.gz RIJMLNBEYGAQEL-NJDAHSKKSA-N 2 1 351.494 1.913 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ocnc4C)[C@H]3C2)CC1 ZINC001085100440 920914548 /nfs/dbraw/zinc/91/45/48/920914548.db2.gz BVGNCEHOIHIBOW-MJGOQNOKSA-N 2 1 370.497 1.751 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085429598 924645083 /nfs/dbraw/zinc/64/50/83/924645083.db2.gz YUABQACTOPDUFX-VAMGGRTRSA-N 2 1 370.497 1.796 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085429598 924645087 /nfs/dbraw/zinc/64/50/87/924645087.db2.gz YUABQACTOPDUFX-VAMGGRTRSA-N 2 1 370.497 1.796 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096397 938680993 /nfs/dbraw/zinc/68/09/93/938680993.db2.gz GAXLEEHLILETCD-CABCVRRESA-N 2 1 354.886 1.104 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096397 938680995 /nfs/dbraw/zinc/68/09/95/938680995.db2.gz GAXLEEHLILETCD-CABCVRRESA-N 2 1 354.886 1.104 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107190 938687299 /nfs/dbraw/zinc/68/72/99/938687299.db2.gz ILLBZCRFGSZGSH-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590197 939896321 /nfs/dbraw/zinc/89/63/21/939896321.db2.gz DKZNKFBQYMWGCR-QXAKKESOSA-N 2 1 357.502 1.200 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130671965 939970573 /nfs/dbraw/zinc/97/05/73/939970573.db2.gz DVPABRSSKIVXFL-FUHWJXTLSA-N 2 1 359.518 1.305 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316497 940551122 /nfs/dbraw/zinc/55/11/22/940551122.db2.gz LFUFWWQMAXOLDZ-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001131517375 940684403 /nfs/dbraw/zinc/68/44/03/940684403.db2.gz NDUXAZSPPMQSFK-HBFSDRIKSA-N 2 1 370.497 1.770 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086762845 942406880 /nfs/dbraw/zinc/40/68/80/942406880.db2.gz CVMBALBMHNNEDP-CLEAANHHSA-N 2 1 353.894 1.477 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(O[C@H]2CCC[NH2+]C2)nn1 ZINC001171070713 946852669 /nfs/dbraw/zinc/85/26/69/946852669.db2.gz ILKVWPCHPJTDMD-GJZGRUSLSA-N 2 1 363.462 1.246 20 30 FDEDMP C#CCOc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000824926490 946880502 /nfs/dbraw/zinc/88/05/02/946880502.db2.gz PNAIJXAJTOZUHK-UHFFFAOYSA-N 2 1 351.454 1.530 20 30 FDEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccc(C#N)cn2)CC1 ZINC001144159103 948303231 /nfs/dbraw/zinc/30/32/31/948303231.db2.gz YMJLITBBPSFAJJ-WOJBJXKFSA-N 2 1 367.497 1.860 20 30 FDEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2ccc(C#N)cn2)CC1 ZINC001144159103 948303234 /nfs/dbraw/zinc/30/32/34/948303234.db2.gz YMJLITBBPSFAJJ-WOJBJXKFSA-N 2 1 367.497 1.860 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086985312 953002472 /nfs/dbraw/zinc/00/24/72/953002472.db2.gz CUZSRXAENBNZGQ-RBUKOAKNSA-N 2 1 371.529 1.590 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087034445 953171778 /nfs/dbraw/zinc/17/17/78/953171778.db2.gz GATRWIKVLMHHBA-HSALFYBXSA-N 2 1 370.497 1.606 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C[C@H](CC)OC)C[C@@]3(C)C2)CC1 ZINC001092299774 954746953 /nfs/dbraw/zinc/74/69/53/954746953.db2.gz HUIARXWOTJWYHD-DYXWJJEUSA-N 2 1 361.530 1.537 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOc2ccccc2)C[C@H]1C ZINC001092690433 956200418 /nfs/dbraw/zinc/20/04/18/956200418.db2.gz LPFAYBNRMGNARM-SBHAEUEKSA-N 2 1 369.509 1.847 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOc2ccccc2)C[C@H]1C ZINC001092690433 956200426 /nfs/dbraw/zinc/20/04/26/956200426.db2.gz LPFAYBNRMGNARM-SBHAEUEKSA-N 2 1 369.509 1.847 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1C ZINC001092690433 956200438 /nfs/dbraw/zinc/20/04/38/956200438.db2.gz LPFAYBNRMGNARM-SBHAEUEKSA-N 2 1 369.509 1.847 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOc2ccccc2)C[C@H]1C ZINC001092690433 956200445 /nfs/dbraw/zinc/20/04/45/956200445.db2.gz LPFAYBNRMGNARM-SBHAEUEKSA-N 2 1 369.509 1.847 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132854 957616797 /nfs/dbraw/zinc/61/67/97/957616797.db2.gz CLXORRWOBIVXKQ-VQIMIIECSA-N 2 1 352.482 1.838 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccn(CC)n3)C[C@H]2C)CC1 ZINC001093224115 957854552 /nfs/dbraw/zinc/85/45/52/957854552.db2.gz LESZFKQBNZWGOQ-IEBWSBKVSA-N 2 1 371.529 1.432 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C(C)C)C[C@H]1O ZINC001093468354 958218351 /nfs/dbraw/zinc/21/83/51/958218351.db2.gz ZGSUXCLREAZCHX-VGUOSERISA-N 2 1 363.546 1.870 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001093673262 958515720 /nfs/dbraw/zinc/51/57/20/958515720.db2.gz NTJVQLMMCIAXRP-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC001093833198 958928647 /nfs/dbraw/zinc/92/86/47/958928647.db2.gz YAZZEBYDEMQOKD-AHRSYUTCSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC001093833198 958928661 /nfs/dbraw/zinc/92/86/61/958928661.db2.gz YAZZEBYDEMQOKD-AHRSYUTCSA-N 2 1 354.498 1.672 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001093920927 959218855 /nfs/dbraw/zinc/21/88/55/959218855.db2.gz BCIYYJYBQYJGKS-DNVCBOLYSA-N 2 1 351.454 1.948 20 30 FDEDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](C1CCC(CC#N)CC1)CC2 ZINC001173333641 962007096 /nfs/dbraw/zinc/00/70/96/962007096.db2.gz QTFYEGVGAWKOPH-UHFFFAOYSA-N 2 1 359.474 1.797 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188313701 966192688 /nfs/dbraw/zinc/19/26/88/966192688.db2.gz AIPPQRYKYLIYSP-RCCFBDPRSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188313701 966192694 /nfs/dbraw/zinc/19/26/94/966192694.db2.gz AIPPQRYKYLIYSP-RCCFBDPRSA-N 2 1 364.534 1.284 20 30 FDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189898025 967412895 /nfs/dbraw/zinc/41/28/95/967412895.db2.gz AZOUGSJPEYNSCC-AZUAARDMSA-N 2 1 370.497 1.963 20 30 FDEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189898025 967412897 /nfs/dbraw/zinc/41/28/97/967412897.db2.gz AZOUGSJPEYNSCC-AZUAARDMSA-N 2 1 370.497 1.963 20 30 FDEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189898025 967412899 /nfs/dbraw/zinc/41/28/99/967412899.db2.gz AZOUGSJPEYNSCC-AZUAARDMSA-N 2 1 370.497 1.963 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)C#CC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000852872052 967678964 /nfs/dbraw/zinc/67/89/64/967678964.db2.gz AIJOJQSHOUMECL-NRFANRHFSA-N 2 1 368.525 1.484 20 30 FDEDMP CN1CC[N@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000852872052 967678965 /nfs/dbraw/zinc/67/89/65/967678965.db2.gz AIJOJQSHOUMECL-NRFANRHFSA-N 2 1 368.525 1.484 20 30 FDEDMP CN1CC[N@@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000852872052 967678970 /nfs/dbraw/zinc/67/89/70/967678970.db2.gz AIJOJQSHOUMECL-NRFANRHFSA-N 2 1 368.525 1.484 20 30 FDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586674 982286742 /nfs/dbraw/zinc/28/67/42/982286742.db2.gz QDNFTGKIBVEKCE-OLMNPRSZSA-N 2 1 354.458 1.204 20 30 FDEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586672 982287010 /nfs/dbraw/zinc/28/70/10/982287010.db2.gz QDNFTGKIBVEKCE-FHLIZLRMSA-N 2 1 354.458 1.204 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884063712 982798042 /nfs/dbraw/zinc/79/80/42/982798042.db2.gz JHAADWNMSJSZFJ-IBGZPJMESA-N 2 1 355.486 1.443 20 30 FDEDMP C#Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000124655610 989158995 /nfs/dbraw/zinc/15/89/95/989158995.db2.gz MKWDSJASYLIEPT-LJQANCHMSA-N 2 1 370.497 1.481 20 30 FDEDMP CC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C2 ZINC001095430171 990268909 /nfs/dbraw/zinc/26/89/09/990268909.db2.gz JCBPNUIJHHVHQY-SLHNCBLASA-N 2 1 359.514 1.478 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000876775720 992899784 /nfs/dbraw/zinc/89/97/84/992899784.db2.gz DURIYYBHIQEWKG-PBHICJAKSA-N 2 1 367.877 1.864 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000876775720 992899793 /nfs/dbraw/zinc/89/97/93/992899793.db2.gz DURIYYBHIQEWKG-PBHICJAKSA-N 2 1 367.877 1.864 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000876780359 992905813 /nfs/dbraw/zinc/90/58/13/992905813.db2.gz FRGXDVBDNZPSEC-GOSISDBHSA-N 2 1 364.921 1.780 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](O)[C@@H](C)C3)c2)CC[C@H]1O ZINC000878464229 993971798 /nfs/dbraw/zinc/97/17/98/993971798.db2.gz SABCKDBFRYJWQL-LPTDTENNSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](O)[C@@H](C)C3)c2)CC[C@H]1O ZINC000878464229 993971804 /nfs/dbraw/zinc/97/18/04/993971804.db2.gz SABCKDBFRYJWQL-LPTDTENNSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](O)[C@@H](C)C3)c2)CC[C@H]1O ZINC000878464229 993971807 /nfs/dbraw/zinc/97/18/07/993971807.db2.gz SABCKDBFRYJWQL-LPTDTENNSA-N 2 1 357.498 1.964 20 30 FDEDMP COc1cc(C#N)ccc1OCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592267 995061034 /nfs/dbraw/zinc/06/10/34/995061034.db2.gz GJTNZDNUQDUAPZ-UHFFFAOYSA-N 2 1 358.486 1.657 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000264119776 997405683 /nfs/dbraw/zinc/40/56/83/997405683.db2.gz QQHYOYCPUXJKPR-IBGZPJMESA-N 3 1 359.518 1.450 20 30 FDEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123409 1003015188 /nfs/dbraw/zinc/01/51/88/1003015188.db2.gz AZMUGCFHIUIKCP-QZTJIDSGSA-N 2 1 365.518 1.365 20 30 FDEDMP C=C(C)CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123409 1003015199 /nfs/dbraw/zinc/01/51/99/1003015199.db2.gz AZMUGCFHIUIKCP-QZTJIDSGSA-N 2 1 365.518 1.365 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[N@@H+]1C ZINC000959973935 1009237448 /nfs/dbraw/zinc/23/74/48/1009237448.db2.gz OFPXMEXZCOXRRZ-SBUWESJJSA-N 2 1 355.457 1.564 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[N@H+]1C ZINC000959973935 1009237464 /nfs/dbraw/zinc/23/74/64/1009237464.db2.gz OFPXMEXZCOXRRZ-SBUWESJJSA-N 2 1 355.457 1.564 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[NH+]1C ZINC000959973935 1009237477 /nfs/dbraw/zinc/23/74/77/1009237477.db2.gz OFPXMEXZCOXRRZ-SBUWESJJSA-N 2 1 355.457 1.564 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[NH+]1C ZINC000959973935 1009237493 /nfs/dbraw/zinc/23/74/93/1009237493.db2.gz OFPXMEXZCOXRRZ-SBUWESJJSA-N 2 1 355.457 1.564 20 30 FDEDMP CC[NH+]=C(NCCc1nnc2ccccn21)N1CC[NH+](CC(C)C)CC1 ZINC000304131603 1009933047 /nfs/dbraw/zinc/93/30/47/1009933047.db2.gz WIIIBFQUBLKHOM-UHFFFAOYSA-N 2 1 357.506 1.511 20 30 FDEDMP C[C@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000304761547 1010489512 /nfs/dbraw/zinc/48/95/12/1010489512.db2.gz UNWDQLVYJIVTNR-CYBMUJFWSA-N 2 1 374.407 1.958 20 30 FDEDMP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000304765847 1010489867 /nfs/dbraw/zinc/48/98/67/1010489867.db2.gz ZVRXSMPAECHQFX-APWZRJJASA-N 2 1 371.529 1.931 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000779654040 1010660864 /nfs/dbraw/zinc/66/08/64/1010660864.db2.gz YEQTXMIWCWVTLV-HNNXBMFYSA-N 2 1 370.413 1.716 20 30 FDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000779654040 1010660868 /nfs/dbraw/zinc/66/08/68/1010660868.db2.gz YEQTXMIWCWVTLV-HNNXBMFYSA-N 2 1 370.413 1.716 20 30 FDEDMP CC#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000961377980 1012304700 /nfs/dbraw/zinc/30/47/00/1012304700.db2.gz JIFBSDKEAXMGHJ-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000961377980 1012304720 /nfs/dbraw/zinc/30/47/20/1012304720.db2.gz JIFBSDKEAXMGHJ-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000961377980 1012304735 /nfs/dbraw/zinc/30/47/35/1012304735.db2.gz JIFBSDKEAXMGHJ-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000961377980 1012304742 /nfs/dbraw/zinc/30/47/42/1012304742.db2.gz JIFBSDKEAXMGHJ-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC(C)(C)C#N ZINC000559637331 544751373 /nfs/dbraw/zinc/75/13/73/544751373.db2.gz OGKOXVQOMVXZDD-INIZCTEOSA-N 2 1 358.552 1.604 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC(C)(C)C#N ZINC000559637331 544751378 /nfs/dbraw/zinc/75/13/78/544751378.db2.gz OGKOXVQOMVXZDD-INIZCTEOSA-N 2 1 358.552 1.604 20 30 FDEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073167824 522483030 /nfs/dbraw/zinc/48/30/30/522483030.db2.gz ZSMLMNLITAYHKY-OAHLLOKOSA-N 2 1 359.474 1.097 20 30 FDEDMP [NH2+]=C(NCc1ccc(OC(F)(F)F)cc1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000083034776 524233772 /nfs/dbraw/zinc/23/37/72/524233772.db2.gz LHHUESMWAQPFAK-HIFRSBDPSA-N 2 1 372.391 1.853 20 30 FDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083032510 524235084 /nfs/dbraw/zinc/23/50/84/524235084.db2.gz OWWJHZHKFKCFTP-FUHWJXTLSA-N 2 1 359.518 1.688 20 30 FDEDMP Cc1nn(-c2ccccc2)c(C)c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104156985 525398280 /nfs/dbraw/zinc/39/82/80/525398280.db2.gz INXWEBQNUNAYOP-UHFFFAOYSA-N 2 1 370.501 1.616 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000170908926 525765831 /nfs/dbraw/zinc/76/58/31/525765831.db2.gz XBGBULMKDHNAPS-UHFFFAOYSA-N 3 1 359.518 1.409 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000171565903 526039553 /nfs/dbraw/zinc/03/95/53/526039553.db2.gz XGMPGGDHBGQPJP-HXUWFJFHSA-N 2 1 357.498 1.951 20 30 FDEDMP C[NH+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CCN(C(C)=O)CC1 ZINC000263258143 537003114 /nfs/dbraw/zinc/00/31/14/537003114.db2.gz RQRNSBSTPHODIH-INIZCTEOSA-N 2 1 363.531 1.625 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+]([C@@H](C)C(=O)NCC=C)CC2 ZINC000364080265 537388708 /nfs/dbraw/zinc/38/87/08/537388708.db2.gz FKLRZAFQHGBFKS-DLBZAZTESA-N 2 1 362.518 1.156 20 30 FDEDMP CN(C)C(=O)CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329922898 537646707 /nfs/dbraw/zinc/64/67/07/537646707.db2.gz IEKHVZDXHGFVKS-ALOPSCKCSA-N 2 1 365.522 1.012 20 30 FDEDMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000329922898 537646711 /nfs/dbraw/zinc/64/67/11/537646711.db2.gz IEKHVZDXHGFVKS-ALOPSCKCSA-N 2 1 365.522 1.012 20 30 FDEDMP CN(C)C(=O)CC[NH+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329922898 537646712 /nfs/dbraw/zinc/64/67/12/537646712.db2.gz IEKHVZDXHGFVKS-ALOPSCKCSA-N 2 1 365.522 1.012 20 30 FDEDMP OCC[NH+](CC#CC[N@H+](CCO)[C@H]1CCCSC1)[C@@H]1CCCSC1 ZINC000433188825 538208266 /nfs/dbraw/zinc/20/82/66/538208266.db2.gz DEXHMLWIIYZKRI-HDICACEKSA-N 2 1 372.600 1.370 20 30 FDEDMP OCC[NH+](CC#CC[N@H+](CCO)[C@@H]1CCCSC1)[C@H]1CCCSC1 ZINC000433188825 538208272 /nfs/dbraw/zinc/20/82/72/538208272.db2.gz DEXHMLWIIYZKRI-HDICACEKSA-N 2 1 372.600 1.370 20 30 FDEDMP OCC[NH+](CC#CC[N@@H+](CCO)[C@@H]1CCCSC1)[C@H]1CCCSC1 ZINC000433188825 538208281 /nfs/dbraw/zinc/20/82/81/538208281.db2.gz DEXHMLWIIYZKRI-HDICACEKSA-N 2 1 372.600 1.370 20 30 FDEDMP Cc1cc(N2CCC([NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000494734638 538584238 /nfs/dbraw/zinc/58/42/38/538584238.db2.gz HHMBKTXQRPXIBI-LJQANCHMSA-N 2 1 364.453 1.750 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000472284567 538617582 /nfs/dbraw/zinc/61/75/82/538617582.db2.gz LTFNPLMDYJBUHA-YQVWRLOYSA-N 2 1 352.523 1.862 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000472284567 538617590 /nfs/dbraw/zinc/61/75/90/538617590.db2.gz LTFNPLMDYJBUHA-YQVWRLOYSA-N 2 1 352.523 1.862 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000561450428 545856039 /nfs/dbraw/zinc/85/60/39/545856039.db2.gz JXWYNKKLXKWXAF-GOSISDBHSA-N 2 1 364.534 1.476 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000569961179 549110755 /nfs/dbraw/zinc/11/07/55/549110755.db2.gz ZZBSLEKICLZWIH-KRWDZBQOSA-N 2 1 359.470 1.551 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000570562204 549325738 /nfs/dbraw/zinc/32/57/38/549325738.db2.gz SAJWDGCEIGLWPR-QWFCFKBJSA-N 2 1 363.550 1.530 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000570562204 549325743 /nfs/dbraw/zinc/32/57/43/549325743.db2.gz SAJWDGCEIGLWPR-QWFCFKBJSA-N 2 1 363.550 1.530 20 30 FDEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577267924 550638412 /nfs/dbraw/zinc/63/84/12/550638412.db2.gz SPJZRCGHHXSMBP-RBUKOAKNSA-N 2 1 370.497 1.972 20 30 FDEDMP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320698 552089383 /nfs/dbraw/zinc/08/93/83/552089383.db2.gz DIOWSORPVLTPDS-LJQANCHMSA-N 2 1 355.486 1.916 20 30 FDEDMP C[N@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C[C@@H]21 ZINC000593515488 552120762 /nfs/dbraw/zinc/12/07/62/552120762.db2.gz JXGCXCVKCIGBRK-QUCCMNQESA-N 2 1 367.497 1.868 20 30 FDEDMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439172 552310435 /nfs/dbraw/zinc/31/04/35/552310435.db2.gz SYGWXBBDHGYTLC-DLBZAZTESA-N 2 1 358.490 1.120 20 30 FDEDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N ZINC000600708246 553305405 /nfs/dbraw/zinc/30/54/05/553305405.db2.gz DTHHDYNYLHXSSK-MOPGFXCFSA-N 2 1 353.470 1.587 20 30 FDEDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N ZINC000600708246 553305406 /nfs/dbraw/zinc/30/54/06/553305406.db2.gz DTHHDYNYLHXSSK-MOPGFXCFSA-N 2 1 353.470 1.587 20 30 FDEDMP N#Cc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000602546641 553603924 /nfs/dbraw/zinc/60/39/24/553603924.db2.gz DQBPXAYVSSCLJI-GOSISDBHSA-N 2 1 363.465 1.940 20 30 FDEDMP N#Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)n1 ZINC000602546641 553603926 /nfs/dbraw/zinc/60/39/26/553603926.db2.gz DQBPXAYVSSCLJI-GOSISDBHSA-N 2 1 363.465 1.940 20 30 FDEDMP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262430315 672788319 /nfs/dbraw/zinc/78/83/19/672788319.db2.gz SKJJWKPIAQKYSX-DLBZAZTESA-N 2 1 370.563 1.335 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000303869827 676543336 /nfs/dbraw/zinc/54/33/36/676543336.db2.gz FDKALJUJWIQCRH-MRXNPFEDSA-N 3 1 353.580 1.737 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCSCC2)CCCC1 ZINC000303869827 676543337 /nfs/dbraw/zinc/54/33/37/676543337.db2.gz FDKALJUJWIQCRH-MRXNPFEDSA-N 2 1 353.580 1.737 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCSCC2)CCCC1 ZINC000303869827 676543338 /nfs/dbraw/zinc/54/33/38/676543338.db2.gz FDKALJUJWIQCRH-MRXNPFEDSA-N 2 1 353.580 1.737 20 30 FDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330188105 676677553 /nfs/dbraw/zinc/67/75/53/676677553.db2.gz UHPDZTBMKUVETH-BVPBIZIASA-N 2 1 350.507 1.351 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000370295954 677562084 /nfs/dbraw/zinc/56/20/84/677562084.db2.gz AYFZZTHCBKQUSI-MSOLQXFVSA-N 2 1 350.507 1.268 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374616312 678088518 /nfs/dbraw/zinc/08/85/18/678088518.db2.gz YYQSVPZMHORJIA-QZTJIDSGSA-N 2 1 350.551 1.900 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374616312 678088522 /nfs/dbraw/zinc/08/85/22/678088522.db2.gz YYQSVPZMHORJIA-QZTJIDSGSA-N 2 1 350.551 1.900 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)ncn2)C1 ZINC001104305961 774436864 /nfs/dbraw/zinc/43/68/64/774436864.db2.gz CGCVBJKSFOGYPD-POAQFYNOSA-N 2 1 369.513 1.457 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)ncn2)C1 ZINC001104305961 774436870 /nfs/dbraw/zinc/43/68/70/774436870.db2.gz CGCVBJKSFOGYPD-POAQFYNOSA-N 2 1 369.513 1.457 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1C ZINC001104379093 779104488 /nfs/dbraw/zinc/10/44/88/779104488.db2.gz XTLODHQTDXSWAL-VAMGGRTRSA-N 2 1 363.546 1.831 20 30 FDEDMP C=CC[C@@]1(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662721541 802908178 /nfs/dbraw/zinc/90/81/78/802908178.db2.gz YIHWFBDTMCALBG-QFIPXVFZSA-N 2 1 370.541 1.961 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000978349162 805364250 /nfs/dbraw/zinc/36/42/50/805364250.db2.gz FMBRITXGMARJCL-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000978349162 805364271 /nfs/dbraw/zinc/36/42/71/805364271.db2.gz FMBRITXGMARJCL-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000978349162 805364279 /nfs/dbraw/zinc/36/42/79/805364279.db2.gz FMBRITXGMARJCL-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000978349162 805364288 /nfs/dbraw/zinc/36/42/88/805364288.db2.gz FMBRITXGMARJCL-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)cc1C#N ZINC001075613340 809053670 /nfs/dbraw/zinc/05/36/70/809053670.db2.gz AEPOTZXOQKXSEQ-YTQUADARSA-N 2 1 368.481 1.694 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)[C@@H]3C2)cc1C#N ZINC001075613340 809053678 /nfs/dbraw/zinc/05/36/78/809053678.db2.gz AEPOTZXOQKXSEQ-YTQUADARSA-N 2 1 368.481 1.694 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1C#N ZINC001075613340 809053685 /nfs/dbraw/zinc/05/36/85/809053685.db2.gz AEPOTZXOQKXSEQ-YTQUADARSA-N 2 1 368.481 1.694 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)[C@@H]3C2)cc1C#N ZINC001075613340 809053693 /nfs/dbraw/zinc/05/36/93/809053693.db2.gz AEPOTZXOQKXSEQ-YTQUADARSA-N 2 1 368.481 1.694 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000664020348 810174501 /nfs/dbraw/zinc/17/45/01/810174501.db2.gz QWYJFAVYUOTFPF-HXUWFJFHSA-N 2 1 372.513 1.703 20 30 FDEDMP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261713999 810187022 /nfs/dbraw/zinc/18/70/22/810187022.db2.gz KFNNYZVHTHONAR-WMLDXEAASA-N 2 1 363.506 1.624 20 30 FDEDMP N#CCCn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(-c2ccncc2)n1 ZINC000433315738 810413674 /nfs/dbraw/zinc/41/36/74/810413674.db2.gz FOORGHQOGYNBPA-UHFFFAOYSA-N 2 1 368.485 1.795 20 30 FDEDMP C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261860926 811333697 /nfs/dbraw/zinc/33/36/97/811333697.db2.gz YLRYJELLFNPXHT-UTKZUKDTSA-N 2 1 372.513 1.050 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N1CCO[C@@H](COC)C1 ZINC000261951899 811351630 /nfs/dbraw/zinc/35/16/30/811351630.db2.gz OBJBVUIYQVZQLD-GOSISDBHSA-N 2 1 360.502 1.008 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001028628671 811654789 /nfs/dbraw/zinc/65/47/89/811654789.db2.gz XPGIJSXTEQFQNQ-JKIFEVAISA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001028628671 811654798 /nfs/dbraw/zinc/65/47/98/811654798.db2.gz XPGIJSXTEQFQNQ-JKIFEVAISA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001028628671 811654809 /nfs/dbraw/zinc/65/48/09/811654809.db2.gz XPGIJSXTEQFQNQ-JKIFEVAISA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001028628671 811654816 /nfs/dbraw/zinc/65/48/16/811654816.db2.gz XPGIJSXTEQFQNQ-JKIFEVAISA-N 2 1 362.499 1.277 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1N1CCCCC1 ZINC000272125931 814578246 /nfs/dbraw/zinc/57/82/46/814578246.db2.gz UUFOVADVTYTNDL-UHFFFAOYSA-N 2 1 359.518 1.804 20 30 FDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992166 824952966 /nfs/dbraw/zinc/95/29/66/824952966.db2.gz GYMYLTANIFZSGL-WSTZPKSXSA-N 2 1 361.530 1.986 20 30 FDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992166 824952970 /nfs/dbraw/zinc/95/29/70/824952970.db2.gz GYMYLTANIFZSGL-WSTZPKSXSA-N 2 1 361.530 1.986 20 30 FDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992166 824952972 /nfs/dbraw/zinc/95/29/72/824952972.db2.gz GYMYLTANIFZSGL-WSTZPKSXSA-N 2 1 361.530 1.986 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncc(C)c3)CC[C@@H]2C1 ZINC001087997956 825073351 /nfs/dbraw/zinc/07/33/51/825073351.db2.gz JGAAXZZOUXMXIH-HKBOAZHASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncc(C)c3)CC[C@@H]2C1 ZINC001087997956 825073360 /nfs/dbraw/zinc/07/33/60/825073360.db2.gz JGAAXZZOUXMXIH-HKBOAZHASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncc(C)c3)CC[C@@H]2C1 ZINC001087997956 825073369 /nfs/dbraw/zinc/07/33/69/825073369.db2.gz JGAAXZZOUXMXIH-HKBOAZHASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncc(C)c3)CC[C@@H]2C1 ZINC001087997956 825073378 /nfs/dbraw/zinc/07/33/78/825073378.db2.gz JGAAXZZOUXMXIH-HKBOAZHASA-N 2 1 366.509 1.768 20 30 FDEDMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000330177439 825707303 /nfs/dbraw/zinc/70/73/03/825707303.db2.gz KRLUZMZSQOHSRB-PSBWJHGTSA-N 2 1 366.550 1.988 20 30 FDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000330195684 825724611 /nfs/dbraw/zinc/72/46/11/825724611.db2.gz PHXWNRJZPVITBF-TZIWHRDSSA-N 2 1 373.545 1.791 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199291 827429333 /nfs/dbraw/zinc/42/93/33/827429333.db2.gz JOHSURKPYNSWKQ-KFWWJZLASA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199291 827429335 /nfs/dbraw/zinc/42/93/35/827429335.db2.gz JOHSURKPYNSWKQ-KFWWJZLASA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199291 827429337 /nfs/dbraw/zinc/42/93/37/827429337.db2.gz JOHSURKPYNSWKQ-KFWWJZLASA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199291 827429339 /nfs/dbraw/zinc/42/93/39/827429339.db2.gz JOHSURKPYNSWKQ-KFWWJZLASA-N 2 1 356.308 1.627 20 30 FDEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1 ZINC001112196395 829400976 /nfs/dbraw/zinc/40/09/76/829400976.db2.gz HQRLUOSXZNRZFH-HUUCEWRRSA-N 2 1 363.424 1.347 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105670137 844360236 /nfs/dbraw/zinc/36/02/36/844360236.db2.gz YAZGDFNWOVEQSN-LFGUQSLTSA-N 2 1 351.535 1.870 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105670247 844367526 /nfs/dbraw/zinc/36/75/26/844367526.db2.gz YSDFRDUHZYKFLC-HNBVOPMISA-N 2 1 358.486 1.181 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000760561052 842389899 /nfs/dbraw/zinc/38/98/99/842389899.db2.gz LSVFAGVQJGCBGB-PMACEKPBSA-N 2 1 355.482 1.491 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000760561052 842389912 /nfs/dbraw/zinc/38/99/12/842389912.db2.gz LSVFAGVQJGCBGB-PMACEKPBSA-N 2 1 355.482 1.491 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000760561052 842389926 /nfs/dbraw/zinc/38/99/26/842389926.db2.gz LSVFAGVQJGCBGB-PMACEKPBSA-N 2 1 355.482 1.491 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000760561052 842389940 /nfs/dbraw/zinc/38/99/40/842389940.db2.gz LSVFAGVQJGCBGB-PMACEKPBSA-N 2 1 355.482 1.491 20 30 FDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900418935 847437634 /nfs/dbraw/zinc/43/76/34/847437634.db2.gz RHAJSKHVUYYSQT-FQEVSTJZSA-N 2 1 358.486 1.295 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4oc(C)nc4C)C[C@H]32)CC1 ZINC001076604504 848553597 /nfs/dbraw/zinc/55/35/97/848553597.db2.gz JKTRYNABJLXZEW-RBUKOAKNSA-N 2 1 370.497 1.669 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C)cc1C#N ZINC001088859372 864781428 /nfs/dbraw/zinc/78/14/28/864781428.db2.gz ALKCDPLSHCSVFT-FCEWJHQRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)[C@H]2C)cc1C#N ZINC001088859372 864781438 /nfs/dbraw/zinc/78/14/38/864781438.db2.gz ALKCDPLSHCSVFT-FCEWJHQRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)[C@H]2C)cc1C#N ZINC001088859372 864781446 /nfs/dbraw/zinc/78/14/46/864781446.db2.gz ALKCDPLSHCSVFT-FCEWJHQRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)[C@H]2C)cc1C#N ZINC001088859372 864781450 /nfs/dbraw/zinc/78/14/50/864781450.db2.gz ALKCDPLSHCSVFT-FCEWJHQRSA-N 2 1 370.497 1.988 20 30 FDEDMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000171604367 865258991 /nfs/dbraw/zinc/25/89/91/865258991.db2.gz FSBKHVRHBQLGQV-HXUWFJFHSA-N 2 1 369.469 1.556 20 30 FDEDMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O ZINC000171604367 865259005 /nfs/dbraw/zinc/25/90/05/865259005.db2.gz FSBKHVRHBQLGQV-HXUWFJFHSA-N 2 1 369.469 1.556 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2ccns2)[C@H](C)C1 ZINC001106266565 874261870 /nfs/dbraw/zinc/26/18/70/874261870.db2.gz QVWDHADNHDKFFA-NUJGCVRESA-N 2 1 360.527 1.467 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2ccns2)[C@H](C)C1 ZINC001106266565 874261891 /nfs/dbraw/zinc/26/18/91/874261891.db2.gz QVWDHADNHDKFFA-NUJGCVRESA-N 2 1 360.527 1.467 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667356 876482930 /nfs/dbraw/zinc/48/29/30/876482930.db2.gz VWSKBZLYIVTJNI-KBAYOESNSA-N 2 1 358.486 1.088 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095081 878896831 /nfs/dbraw/zinc/89/68/31/878896831.db2.gz PTIRJMYKWLOFRW-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095081 878896842 /nfs/dbraw/zinc/89/68/42/878896842.db2.gz PTIRJMYKWLOFRW-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095081 878896847 /nfs/dbraw/zinc/89/68/47/878896847.db2.gz PTIRJMYKWLOFRW-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095081 878896859 /nfs/dbraw/zinc/89/68/59/878896859.db2.gz PTIRJMYKWLOFRW-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000923390881 889082698 /nfs/dbraw/zinc/08/26/98/889082698.db2.gz YWFBGJWSKFJUNP-GNBUJSLZSA-N 2 1 359.470 1.516 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@@H]2O)CC1 ZINC001084089471 913369738 /nfs/dbraw/zinc/36/97/38/913369738.db2.gz LEUROFNXCMCYKL-RTWAWAEBSA-N 2 1 369.509 1.310 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@@H]2O)CC1 ZINC001084090365 913372102 /nfs/dbraw/zinc/37/21/02/913372102.db2.gz WWIJJGHXMJCRJT-TZJYRCSTSA-N 2 1 361.530 1.319 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2CC)[C@H](OC)C1 ZINC001212301555 889983541 /nfs/dbraw/zinc/98/35/41/889983541.db2.gz ZIYPPNSTODINAD-GVDBMIGSSA-N 2 1 364.490 1.415 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301555 889983551 /nfs/dbraw/zinc/98/35/51/889983551.db2.gz ZIYPPNSTODINAD-GVDBMIGSSA-N 2 1 364.490 1.415 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084349201 914133481 /nfs/dbraw/zinc/13/34/81/914133481.db2.gz BJNQTBHFETUAOP-NJDAHSKKSA-N 2 1 364.493 1.933 20 30 FDEDMP C=CCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024817 897393093 /nfs/dbraw/zinc/39/30/93/897393093.db2.gz QATBMVARNFWGRQ-GGPKGHCWSA-N 2 1 367.534 1.659 20 30 FDEDMP C=CCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024817 897393103 /nfs/dbraw/zinc/39/31/03/897393103.db2.gz QATBMVARNFWGRQ-GGPKGHCWSA-N 2 1 367.534 1.659 20 30 FDEDMP C=CCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024817 897393115 /nfs/dbraw/zinc/39/31/15/897393115.db2.gz QATBMVARNFWGRQ-GGPKGHCWSA-N 2 1 367.534 1.659 20 30 FDEDMP C=CCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024817 897393132 /nfs/dbraw/zinc/39/31/32/897393132.db2.gz QATBMVARNFWGRQ-GGPKGHCWSA-N 2 1 367.534 1.659 20 30 FDEDMP CC1(C)[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C[C@H]1OCc1ccccc1 ZINC000184651276 898345295 /nfs/dbraw/zinc/34/52/95/898345295.db2.gz GEDQDOLKKAGZFN-RTBURBONSA-N 2 1 374.529 1.997 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@H]2O)CC1 ZINC001078227192 898429652 /nfs/dbraw/zinc/42/96/52/898429652.db2.gz NIQPERYYXMGSLM-NHCUHLMSSA-N 2 1 369.509 1.044 20 30 FDEDMP C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001079147244 901971571 /nfs/dbraw/zinc/97/15/71/901971571.db2.gz FEPKGINYPHCECB-NJDAHSKKSA-N 2 1 369.509 1.568 20 30 FDEDMP C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCCN2CC)C1 ZINC001079147244 901971575 /nfs/dbraw/zinc/97/15/75/901971575.db2.gz FEPKGINYPHCECB-NJDAHSKKSA-N 2 1 369.509 1.568 20 30 FDEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001079141580 902033978 /nfs/dbraw/zinc/03/39/78/902033978.db2.gz NAIOQNHAQBMAGL-MJUUVYJYSA-N 2 1 369.509 1.424 20 30 FDEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001079141580 902033984 /nfs/dbraw/zinc/03/39/84/902033984.db2.gz NAIOQNHAQBMAGL-MJUUVYJYSA-N 2 1 369.509 1.424 20 30 FDEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001079141580 902033989 /nfs/dbraw/zinc/03/39/89/902033989.db2.gz NAIOQNHAQBMAGL-MJUUVYJYSA-N 2 1 369.509 1.424 20 30 FDEDMP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001079141580 902033998 /nfs/dbraw/zinc/03/39/98/902033998.db2.gz NAIOQNHAQBMAGL-MJUUVYJYSA-N 2 1 369.509 1.424 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259533 902295049 /nfs/dbraw/zinc/29/50/49/902295049.db2.gz DZFBUZLQDDVWFL-GBESFXJTSA-N 2 1 361.530 1.844 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080325057 905158207 /nfs/dbraw/zinc/15/82/07/905158207.db2.gz OSTXSAZQAGXRLR-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080325057 905158219 /nfs/dbraw/zinc/15/82/19/905158219.db2.gz OSTXSAZQAGXRLR-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080325057 905158228 /nfs/dbraw/zinc/15/82/28/905158228.db2.gz OSTXSAZQAGXRLR-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080325057 905158240 /nfs/dbraw/zinc/15/82/40/905158240.db2.gz OSTXSAZQAGXRLR-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP C=CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000996775225 905313073 /nfs/dbraw/zinc/31/30/73/905313073.db2.gz FZZHJDBCZJLIIJ-YNIZLOQISA-N 2 1 362.562 1.948 20 30 FDEDMP C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000996775225 905313085 /nfs/dbraw/zinc/31/30/85/905313085.db2.gz FZZHJDBCZJLIIJ-YNIZLOQISA-N 2 1 362.562 1.948 20 30 FDEDMP C=CCC[NH+]1CCN(C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000996775225 905313099 /nfs/dbraw/zinc/31/30/99/905313099.db2.gz FZZHJDBCZJLIIJ-YNIZLOQISA-N 2 1 362.562 1.948 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080446722 905451100 /nfs/dbraw/zinc/45/11/00/905451100.db2.gz PNUYNKZWZPWTIN-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001080446722 905451109 /nfs/dbraw/zinc/45/11/09/905451109.db2.gz PNUYNKZWZPWTIN-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001080446722 905451120 /nfs/dbraw/zinc/45/11/20/905451120.db2.gz PNUYNKZWZPWTIN-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001080446722 905451129 /nfs/dbraw/zinc/45/11/29/905451129.db2.gz PNUYNKZWZPWTIN-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066590 905707092 /nfs/dbraw/zinc/70/70/92/905707092.db2.gz ZZDZLXADLMOXRS-KCUHQSDYSA-N 2 1 370.497 1.604 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066590 905707101 /nfs/dbraw/zinc/70/71/01/905707101.db2.gz ZZDZLXADLMOXRS-KCUHQSDYSA-N 2 1 370.497 1.604 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066590 905707110 /nfs/dbraw/zinc/70/71/10/905707110.db2.gz ZZDZLXADLMOXRS-KCUHQSDYSA-N 2 1 370.497 1.604 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066590 905707116 /nfs/dbraw/zinc/70/71/16/905707116.db2.gz ZZDZLXADLMOXRS-KCUHQSDYSA-N 2 1 370.497 1.604 20 30 FDEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001107639174 906191384 /nfs/dbraw/zinc/19/13/84/906191384.db2.gz ZHSMVTNXIQRPRE-QWFCFKBJSA-N 2 1 365.518 1.271 20 30 FDEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001107639174 906191393 /nfs/dbraw/zinc/19/13/93/906191393.db2.gz ZHSMVTNXIQRPRE-QWFCFKBJSA-N 2 1 365.518 1.271 20 30 FDEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107639174 906191399 /nfs/dbraw/zinc/19/13/99/906191399.db2.gz ZHSMVTNXIQRPRE-QWFCFKBJSA-N 2 1 365.518 1.271 20 30 FDEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107639174 906191409 /nfs/dbraw/zinc/19/14/09/906191409.db2.gz ZHSMVTNXIQRPRE-QWFCFKBJSA-N 2 1 365.518 1.271 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)CC1 ZINC001080997442 906970757 /nfs/dbraw/zinc/97/07/57/906970757.db2.gz DHGIUFKTDFVDKY-DYESRHJHSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)CC1 ZINC001080997442 906970762 /nfs/dbraw/zinc/97/07/62/906970762.db2.gz DHGIUFKTDFVDKY-DYESRHJHSA-N 2 1 364.493 1.840 20 30 FDEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@@H]1C)N1CCN(c2ncccn2)CC1 ZINC000073446184 909729119 /nfs/dbraw/zinc/72/91/19/909729119.db2.gz IZFNGMKGRFNWTI-ROUUACIJSA-N 2 1 373.549 1.827 20 30 FDEDMP C=CCOCCN1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406323 911385083 /nfs/dbraw/zinc/38/50/83/911385083.db2.gz OGIKRPXMPONPNI-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212406323 911385098 /nfs/dbraw/zinc/38/50/98/911385098.db2.gz OGIKRPXMPONPNI-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212406323 911385113 /nfs/dbraw/zinc/38/51/13/911385113.db2.gz OGIKRPXMPONPNI-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406323 911385129 /nfs/dbraw/zinc/38/51/29/911385129.db2.gz OGIKRPXMPONPNI-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406323 911385142 /nfs/dbraw/zinc/38/51/42/911385142.db2.gz OGIKRPXMPONPNI-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1 ZINC001084777507 917051086 /nfs/dbraw/zinc/05/10/86/917051086.db2.gz AVZLSFIITLJYKN-RTBURBONSA-N 2 1 350.466 1.687 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCOC4CCC4)C[C@H]32)CC1 ZINC001084851098 917658679 /nfs/dbraw/zinc/65/86/79/917658679.db2.gz MQNLIBGHERXJIY-UYAOXDASSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(C)on2)CC1 ZINC001085432513 924678509 /nfs/dbraw/zinc/67/85/09/924678509.db2.gz BMTLAZMFHDQVHW-RTBURBONSA-N 2 1 358.486 1.845 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129326221 925899101 /nfs/dbraw/zinc/89/91/01/925899101.db2.gz CQQKGASKQJMEHZ-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129326221 925899110 /nfs/dbraw/zinc/89/91/10/925899110.db2.gz CQQKGASKQJMEHZ-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001086400765 927058146 /nfs/dbraw/zinc/05/81/46/927058146.db2.gz WSGZNKFAJUTSOW-UTRMSSBJSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001086400765 927058156 /nfs/dbraw/zinc/05/81/56/927058156.db2.gz WSGZNKFAJUTSOW-UTRMSSBJSA-N 2 1 356.470 1.262 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735724 930276803 /nfs/dbraw/zinc/27/68/03/930276803.db2.gz UKTYQMCDBKDLEN-YRXWBPOGSA-N 2 1 365.518 1.411 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841199 930573346 /nfs/dbraw/zinc/57/33/46/930573346.db2.gz MIBHNQNTNNALJL-AABGKKOBSA-N 2 1 355.482 1.733 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001109841199 930573348 /nfs/dbraw/zinc/57/33/48/930573348.db2.gz MIBHNQNTNNALJL-AABGKKOBSA-N 2 1 355.482 1.733 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@@H]1n1ccnn1 ZINC001129856129 938529021 /nfs/dbraw/zinc/52/90/21/938529021.db2.gz XWFIXAGVDKZYHU-ZACQAIPSSA-N 2 1 369.473 1.053 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001129934244 938563570 /nfs/dbraw/zinc/56/35/70/938563570.db2.gz WCEFHGZSQKRMCL-OIISXLGYSA-N 2 1 357.462 1.179 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130592823 939899464 /nfs/dbraw/zinc/89/94/64/939899464.db2.gz GIUUGFIEFYPEKP-VXIBKDFQSA-N 2 1 359.518 1.611 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607687 939919395 /nfs/dbraw/zinc/91/93/95/939919395.db2.gz JDLGCFRDLMKPIR-WSTZPKSXSA-N 2 1 371.529 1.590 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1c1cn(C)cn1 ZINC001130632500 939935685 /nfs/dbraw/zinc/93/56/85/939935685.db2.gz CENYHLZDZOLFQW-AZUAARDMSA-N 2 1 371.529 1.592 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130671995 939971090 /nfs/dbraw/zinc/97/10/90/939971090.db2.gz FLQLQXHRINFSLU-FUHWJXTLSA-N 2 1 357.502 1.059 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712689 939999605 /nfs/dbraw/zinc/99/96/05/939999605.db2.gz HNMBIDCUNYEDMG-JENIJYKNSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988908 940410719 /nfs/dbraw/zinc/41/07/19/940410719.db2.gz PHGOXEPYLCSQBP-KZNAEPCWSA-N 2 1 357.502 1.200 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(=C)C)C1 ZINC001131010124 940440907 /nfs/dbraw/zinc/44/09/07/940440907.db2.gz BAJXHVBDHRVUPM-QRVBRYPASA-N 2 1 369.513 1.368 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(=C)C)C1 ZINC001131010124 940440908 /nfs/dbraw/zinc/44/09/08/940440908.db2.gz BAJXHVBDHRVUPM-QRVBRYPASA-N 2 1 369.513 1.368 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cncn1C ZINC001131132236 940512368 /nfs/dbraw/zinc/51/23/68/940512368.db2.gz FCPCLAISNLHSJJ-KURKYZTESA-N 2 1 357.502 1.202 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cncn1C ZINC001131132237 940512459 /nfs/dbraw/zinc/51/24/59/940512459.db2.gz FCPCLAISNLHSJJ-KZNAEPCWSA-N 2 1 357.502 1.202 20 30 FDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1C#N ZINC000810023506 940936148 /nfs/dbraw/zinc/93/61/48/940936148.db2.gz UMIJPPKEDZQJDY-QGZVFWFLSA-N 2 1 350.442 1.584 20 30 FDEDMP C#C[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCOCC1 ZINC000856100098 970910017 /nfs/dbraw/zinc/91/00/17/970910017.db2.gz KWKXVXJEFSOMTJ-FQEVSTJZSA-N 2 1 361.530 1.727 20 30 FDEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170879649 943015731 /nfs/dbraw/zinc/01/57/31/943015731.db2.gz YXJZHUJCZJYCFG-YESZJQIVSA-N 2 1 352.523 1.284 20 30 FDEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cncc(C#N)c2)CC1 ZINC001144080606 948201210 /nfs/dbraw/zinc/20/12/10/948201210.db2.gz RZRGVLZALWKLJW-WOJBJXKFSA-N 2 1 367.497 1.860 20 30 FDEDMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CC[N@H+]3Cc2cncc(C#N)c2)CC1 ZINC001144080606 948201220 /nfs/dbraw/zinc/20/12/20/948201220.db2.gz RZRGVLZALWKLJW-WOJBJXKFSA-N 2 1 367.497 1.860 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168495 971517659 /nfs/dbraw/zinc/51/76/59/971517659.db2.gz KYTHRNXNTYUZIV-QXAKKESOSA-N 2 1 360.502 1.662 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168495 971517661 /nfs/dbraw/zinc/51/76/61/971517661.db2.gz KYTHRNXNTYUZIV-QXAKKESOSA-N 2 1 360.502 1.662 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3conc3C)C[C@@]2(C)C1 ZINC001091748654 952794688 /nfs/dbraw/zinc/79/46/88/952794688.db2.gz SBQZBOHEXJJVTE-HBFSDRIKSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3conc3C)C[C@@]2(C)C1 ZINC001091748654 952794692 /nfs/dbraw/zinc/79/46/92/952794692.db2.gz SBQZBOHEXJJVTE-HBFSDRIKSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3conc3C)C[C@@]2(C)C1 ZINC001091748654 952794695 /nfs/dbraw/zinc/79/46/95/952794695.db2.gz SBQZBOHEXJJVTE-HBFSDRIKSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3conc3C)C[C@@]2(C)C1 ZINC001091748654 952794698 /nfs/dbraw/zinc/79/46/98/952794698.db2.gz SBQZBOHEXJJVTE-HBFSDRIKSA-N 2 1 356.470 1.361 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086978050 952989621 /nfs/dbraw/zinc/98/96/21/952989621.db2.gz BASHEYBONILUFC-IPMKNSEASA-N 2 1 359.518 1.753 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982463 952995264 /nfs/dbraw/zinc/99/52/64/952995264.db2.gz LEJRWOQNEFFPHG-GBESFXJTSA-N 2 1 357.502 1.200 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cncn4C)C[C@@]3(C)C2)CC1 ZINC001092299540 954746403 /nfs/dbraw/zinc/74/64/03/954746403.db2.gz APZFGUQBAHQKRB-NQIIRXRSSA-N 2 1 369.513 1.046 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001093040795 957265034 /nfs/dbraw/zinc/26/50/34/957265034.db2.gz VEMKWXWGOCYCAN-UKRRQHHQSA-N 2 1 353.898 1.495 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2oc(C)nc2C)[C@H](C)C1 ZINC001093832872 958926047 /nfs/dbraw/zinc/92/60/47/958926047.db2.gz FDBRALKJXOGRFP-OLMNPRSZSA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2oc(C)nc2C)[C@H](C)C1 ZINC001093832872 958926050 /nfs/dbraw/zinc/92/60/50/958926050.db2.gz FDBRALKJXOGRFP-OLMNPRSZSA-N 2 1 358.486 1.573 20 30 FDEDMP COCC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173428840 962144101 /nfs/dbraw/zinc/14/41/01/962144101.db2.gz WVQGORMJWZTGIF-UHFFFAOYSA-N 2 1 370.497 1.863 20 30 FDEDMP C=C(C)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185941653 964206241 /nfs/dbraw/zinc/20/62/41/964206241.db2.gz BGKMOHIJIVIULS-KBAYOESNSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)C[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185941653 964206249 /nfs/dbraw/zinc/20/62/49/964206249.db2.gz BGKMOHIJIVIULS-KBAYOESNSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC12CCOCC2 ZINC001186402768 964473907 /nfs/dbraw/zinc/47/39/07/964473907.db2.gz UFYOUTUBJWNNNS-GVDBMIGSSA-N 2 1 358.486 1.934 20 30 FDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC12CCOCC2 ZINC001186402767 964474598 /nfs/dbraw/zinc/47/45/98/964474598.db2.gz UFYOUTUBJWNNNS-BRWVUGGUSA-N 2 1 358.486 1.934 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CCC[NH+](C)C)[C@@H]3C2)cc1C#N ZINC001188979034 966705879 /nfs/dbraw/zinc/70/58/79/966705879.db2.gz JRWQGNIFZNZQFV-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@@H]2C1 ZINC001189732829 967236992 /nfs/dbraw/zinc/23/69/92/967236992.db2.gz PXKCUPFJIREJMD-VQTJNVASSA-N 2 1 359.514 1.291 20 30 FDEDMP C[N@@H+](CCN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000852866926 967672377 /nfs/dbraw/zinc/67/23/77/967672377.db2.gz NSYNUYYDXYUCEO-UHFFFAOYSA-N 2 1 368.525 1.266 20 30 FDEDMP CCN1CC[NH+](Cc2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852872660 967678700 /nfs/dbraw/zinc/67/87/00/967678700.db2.gz JREXJNYXZMOJPT-UHFFFAOYSA-N 2 1 368.525 1.443 20 30 FDEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193902420 969915185 /nfs/dbraw/zinc/91/51/85/969915185.db2.gz RFBLRTNWDOMLAR-IPMKNSEASA-N 2 1 356.470 1.094 20 30 FDEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193902420 969915187 /nfs/dbraw/zinc/91/51/87/969915187.db2.gz RFBLRTNWDOMLAR-IPMKNSEASA-N 2 1 356.470 1.094 20 30 FDEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193902420 969915190 /nfs/dbraw/zinc/91/51/90/969915190.db2.gz RFBLRTNWDOMLAR-IPMKNSEASA-N 2 1 356.470 1.094 20 30 FDEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001193902420 969915193 /nfs/dbraw/zinc/91/51/93/969915193.db2.gz RFBLRTNWDOMLAR-IPMKNSEASA-N 2 1 356.470 1.094 20 30 FDEDMP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)c1 ZINC001198729177 973426696 /nfs/dbraw/zinc/42/66/96/973426696.db2.gz FQADNRCYBBNOMK-WOJBJXKFSA-N 2 1 370.497 1.486 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)c1 ZINC001198729177 973426705 /nfs/dbraw/zinc/42/67/05/973426705.db2.gz FQADNRCYBBNOMK-WOJBJXKFSA-N 2 1 370.497 1.486 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200637069 974853175 /nfs/dbraw/zinc/85/31/75/974853175.db2.gz PYEKARLKLSAFOH-SJLPKXTDSA-N 2 1 364.534 1.332 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110747670 982054496 /nfs/dbraw/zinc/05/44/96/982054496.db2.gz XMCYQTUYZZLBCX-QRVBRYPASA-N 2 1 358.486 1.832 20 30 FDEDMP CCC(CC)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+]1CCOCC1 ZINC000884184797 982960269 /nfs/dbraw/zinc/96/02/69/982960269.db2.gz ZYNAFZQRGNNFBG-AGYKMIKPSA-N 2 1 362.518 1.379 20 30 FDEDMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cc1 ZINC000884219860 982994023 /nfs/dbraw/zinc/99/40/23/982994023.db2.gz ZEHPBYBLVMIPJP-SHYRYGCCSA-N 2 1 355.442 1.265 20 30 FDEDMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884278947 983050196 /nfs/dbraw/zinc/05/01/96/983050196.db2.gz XMVIPVFBZXMJRC-GLEGPSONSA-N 2 1 354.454 1.307 20 30 FDEDMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC000872146096 987460427 /nfs/dbraw/zinc/46/04/27/987460427.db2.gz FPALCJDJBPMNAL-KRWDZBQOSA-N 2 1 351.454 1.826 20 30 FDEDMP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000367461896 988952122 /nfs/dbraw/zinc/95/21/22/988952122.db2.gz BZTQTTLLQQQMNP-CIAFKFPVSA-N 2 1 358.574 1.822 20 30 FDEDMP C[NH+]1CCC[C@H]2CN(CC#CCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000367461896 988952124 /nfs/dbraw/zinc/95/21/24/988952124.db2.gz BZTQTTLLQQQMNP-CIAFKFPVSA-N 2 1 358.574 1.822 20 30 FDEDMP C[NH+]1CCC[C@H]2CN(CC#CCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000367461896 988952125 /nfs/dbraw/zinc/95/21/25/988952125.db2.gz BZTQTTLLQQQMNP-CIAFKFPVSA-N 2 1 358.574 1.822 20 30 FDEDMP COc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ccc1C#N ZINC000369723401 989121215 /nfs/dbraw/zinc/12/12/15/989121215.db2.gz WMFQXHVKLSFYDE-UHFFFAOYSA-N 2 1 370.497 1.943 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000371295544 990343948 /nfs/dbraw/zinc/34/39/48/990343948.db2.gz SHBNRVXUKNEYJE-PIKOESSRSA-N 2 1 359.470 1.481 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000371295544 990343954 /nfs/dbraw/zinc/34/39/54/990343954.db2.gz SHBNRVXUKNEYJE-PIKOESSRSA-N 2 1 359.470 1.481 20 30 FDEDMP COC(=O)[C@@]1(C)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412084930 992798196 /nfs/dbraw/zinc/79/81/96/992798196.db2.gz YZJZPZQNAFCFTA-PMACEKPBSA-N 2 1 364.486 1.540 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C(COC)COC)CC2)CC1 ZINC000413249746 993189728 /nfs/dbraw/zinc/18/97/28/993189728.db2.gz ZIXMCOXUXFVYEU-UHFFFAOYSA-N 2 1 368.522 1.016 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000264073014 997395882 /nfs/dbraw/zinc/39/58/82/997395882.db2.gz DRJMSHRBRZPZJL-RTBURBONSA-N 2 1 360.502 1.781 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000890364613 998915265 /nfs/dbraw/zinc/91/52/65/998915265.db2.gz DXBOGDDKXLZNTO-HKUYNNGSSA-N 2 1 358.486 1.695 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000890364613 998915268 /nfs/dbraw/zinc/91/52/68/998915268.db2.gz DXBOGDDKXLZNTO-HKUYNNGSSA-N 2 1 358.486 1.695 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862347 999069601 /nfs/dbraw/zinc/06/96/01/999069601.db2.gz LFOPRRLQBIYKMV-TVFCKZIOSA-N 2 1 374.529 1.110 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862347 999069606 /nfs/dbraw/zinc/06/96/06/999069606.db2.gz LFOPRRLQBIYKMV-TVFCKZIOSA-N 2 1 374.529 1.110 20 30 FDEDMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CCCC3)c2)C1 ZINC000267417845 999330298 /nfs/dbraw/zinc/33/02/98/999330298.db2.gz JQFZSGHKOFOMQY-KRWDZBQOSA-N 2 1 357.502 1.731 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282622 1002663794 /nfs/dbraw/zinc/66/37/94/1002663794.db2.gz YRFGDIUGBHSTTE-KURKYZTESA-N 2 1 372.513 1.004 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111282622 1002663803 /nfs/dbraw/zinc/66/38/03/1002663803.db2.gz YRFGDIUGBHSTTE-KURKYZTESA-N 2 1 372.513 1.004 20 30 FDEDMP C#Cc1ccc(NC(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000930166773 1002902023 /nfs/dbraw/zinc/90/20/23/1002902023.db2.gz HSDIEIRXRINJNQ-UHFFFAOYSA-N 2 1 371.481 1.156 20 30 FDEDMP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1 ZINC000931487477 1004205985 /nfs/dbraw/zinc/20/59/85/1004205985.db2.gz BTIURLIZAODKLS-UHFFFAOYSA-N 2 1 372.513 1.939 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111036202 1005033456 /nfs/dbraw/zinc/03/34/56/1005033456.db2.gz SOEGEILVTUCFMZ-BDXSIMOUSA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111036202 1005033460 /nfs/dbraw/zinc/03/34/60/1005033460.db2.gz SOEGEILVTUCFMZ-BDXSIMOUSA-N 2 1 364.534 1.473 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[N@@H+]1C ZINC000959967180 1009223984 /nfs/dbraw/zinc/22/39/84/1009223984.db2.gz ODXGUZHRLFORKK-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC000959967180 1009223992 /nfs/dbraw/zinc/22/39/92/1009223992.db2.gz ODXGUZHRLFORKK-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000959967180 1009224002 /nfs/dbraw/zinc/22/40/02/1009224002.db2.gz ODXGUZHRLFORKK-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000959967180 1009224015 /nfs/dbraw/zinc/22/40/15/1009224015.db2.gz ODXGUZHRLFORKK-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000959976691 1009242753 /nfs/dbraw/zinc/24/27/53/1009242753.db2.gz WJRGQWNYNPRPBH-REPJOTQGSA-N 2 1 368.481 1.453 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000959976691 1009242765 /nfs/dbraw/zinc/24/27/65/1009242765.db2.gz WJRGQWNYNPRPBH-REPJOTQGSA-N 2 1 368.481 1.453 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000959976691 1009242774 /nfs/dbraw/zinc/24/27/74/1009242774.db2.gz WJRGQWNYNPRPBH-REPJOTQGSA-N 2 1 368.481 1.453 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000961850517 1012942014 /nfs/dbraw/zinc/94/20/14/1012942014.db2.gz XEQUIXKFUQWROJ-WLHONDITSA-N 2 1 370.497 1.891 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccc(C#N)cc3OC)C2)CC1 ZINC000132983894 173249785 /nfs/dbraw/zinc/24/97/85/173249785.db2.gz TZXWOUXBCLBXDY-SFHVURJKSA-N 2 1 358.486 1.657 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000368417932 260180033 /nfs/dbraw/zinc/18/00/33/260180033.db2.gz VFJXWIUXFFHSGV-LMQGHGSNSA-N 2 1 373.497 1.777 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000368417930 260180085 /nfs/dbraw/zinc/18/00/85/260180085.db2.gz VFJXWIUXFFHSGV-GKBFQHABSA-N 2 1 373.497 1.777 20 30 FDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000075935769 522996417 /nfs/dbraw/zinc/99/64/17/522996417.db2.gz VSDVICNJZQMZNB-IAGOWNOFSA-N 2 1 350.507 1.570 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089896884 524540730 /nfs/dbraw/zinc/54/07/30/524540730.db2.gz IAGODXNYNLOJJV-PMACEKPBSA-N 2 1 372.513 1.571 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1ccccc1C#N ZINC000125558083 525213372 /nfs/dbraw/zinc/21/33/72/525213372.db2.gz SFCICZQHLLCPNB-SFHVURJKSA-N 2 1 358.486 1.812 20 30 FDEDMP C[C@@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1Cl ZINC000154570273 525577037 /nfs/dbraw/zinc/57/70/37/525577037.db2.gz ICKXZLBKVYAASJ-QGZVFWFLSA-N 2 1 354.882 1.174 20 30 FDEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000107370982 525880198 /nfs/dbraw/zinc/88/01/98/525880198.db2.gz SZYJWKZYSHDZRP-RTWAWAEBSA-N 2 1 373.541 1.867 20 30 FDEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000109755026 526175924 /nfs/dbraw/zinc/17/59/24/526175924.db2.gz CIZSCSFKODJOAP-PMACEKPBSA-N 2 1 372.513 1.400 20 30 FDEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000109755026 526175935 /nfs/dbraw/zinc/17/59/35/526175935.db2.gz CIZSCSFKODJOAP-PMACEKPBSA-N 2 1 372.513 1.400 20 30 FDEDMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000330939573 537662672 /nfs/dbraw/zinc/66/26/72/537662672.db2.gz WSHMTXPZPPJVAA-CVEARBPZSA-N 2 1 353.511 1.810 20 30 FDEDMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000330939573 537662676 /nfs/dbraw/zinc/66/26/76/537662676.db2.gz WSHMTXPZPPJVAA-CVEARBPZSA-N 2 1 353.511 1.810 20 30 FDEDMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000330939573 537662680 /nfs/dbraw/zinc/66/26/80/537662680.db2.gz WSHMTXPZPPJVAA-CVEARBPZSA-N 2 1 353.511 1.810 20 30 FDEDMP CCN1CCN(C(=O)[C@@H](C)N(C)CCOCc2ccc(C#N)cc2)CC1 ZINC000574788516 550371044 /nfs/dbraw/zinc/37/10/44/550371044.db2.gz FVFORSLVEZSSQN-QGZVFWFLSA-N 2 1 358.486 1.559 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@](O)(CC#N)C3)cc2)C1 ZINC000592149591 551950135 /nfs/dbraw/zinc/95/01/35/551950135.db2.gz RUWPGXRHIZFOIA-PMACEKPBSA-N 2 1 354.454 1.388 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000592294014 551973878 /nfs/dbraw/zinc/97/38/78/551973878.db2.gz RKXVHDLDDWLKDD-GOSISDBHSA-N 2 1 352.523 1.683 20 30 FDEDMP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)c1 ZINC000593885637 552217108 /nfs/dbraw/zinc/21/71/08/552217108.db2.gz IPMMDGADEJODSA-FQEVSTJZSA-N 2 1 367.497 1.029 20 30 FDEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c2)CCO1 ZINC000594438658 552310446 /nfs/dbraw/zinc/31/04/46/552310446.db2.gz PKFNXOWCKXGYGG-LPHOPBHVSA-N 2 1 358.486 1.935 20 30 FDEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c2)CCO1 ZINC000594438658 552310448 /nfs/dbraw/zinc/31/04/48/552310448.db2.gz PKFNXOWCKXGYGG-LPHOPBHVSA-N 2 1 358.486 1.935 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000594444674 552311658 /nfs/dbraw/zinc/31/16/58/552311658.db2.gz BIMZMMKONBQGFR-OALUTQOASA-N 2 1 358.486 1.805 20 30 FDEDMP N#CCCC[C@@H]([NH3+])C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000595258407 552506629 /nfs/dbraw/zinc/50/66/29/552506629.db2.gz UWLNXNATTWJNMN-GOSISDBHSA-N 2 1 355.486 1.479 20 30 FDEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595948518 552637289 /nfs/dbraw/zinc/63/72/89/552637289.db2.gz MCSYLUYYVLIMKK-RBUKOAKNSA-N 2 1 357.502 1.330 20 30 FDEDMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595948518 552637290 /nfs/dbraw/zinc/63/72/90/552637290.db2.gz MCSYLUYYVLIMKK-RBUKOAKNSA-N 2 1 357.502 1.330 20 30 FDEDMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CN2CCOCC2)cc(C#N)c1=O ZINC000596284802 552670995 /nfs/dbraw/zinc/67/09/95/552670995.db2.gz FJXUEWBCHLZRNH-IBGZPJMESA-N 2 1 358.486 1.815 20 30 FDEDMP CC(C)CCNC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000104174997 671594645 /nfs/dbraw/zinc/59/46/45/671594645.db2.gz HZOLYSBGMLSYGG-UHFFFAOYSA-N 2 1 355.527 1.880 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000245689811 672458179 /nfs/dbraw/zinc/45/81/79/672458179.db2.gz VTGJRHDIBKNXEK-GJZGRUSLSA-N 2 1 364.925 1.821 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCCCn2cc[nH+]c2C)CC1 ZINC000267402406 673299829 /nfs/dbraw/zinc/29/98/29/673299829.db2.gz GFIOAEFCONUXLE-UHFFFAOYSA-N 2 1 350.467 1.497 20 30 FDEDMP CC(C)(CNC(=O)CN1CCCC2(CCOCC2)C1)N1CCOCC1 ZINC000329540672 676643197 /nfs/dbraw/zinc/64/31/97/676643197.db2.gz CZZGGWLVMFPUOV-UHFFFAOYSA-N 2 1 353.507 1.946 20 30 FDEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000330187206 676677247 /nfs/dbraw/zinc/67/72/47/676677247.db2.gz KGINMKFOODODNE-CRAIPNDOSA-N 2 1 352.523 1.694 20 30 FDEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330190102 676677463 /nfs/dbraw/zinc/67/74/63/676677463.db2.gz VWSCREAOKOPNMU-XDNAFOTISA-N 2 1 350.507 1.495 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363635106 676966461 /nfs/dbraw/zinc/96/64/61/676966461.db2.gz RSMDPUYOMSWGBH-LJQANCHMSA-N 2 1 350.507 1.475 20 30 FDEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001087424119 805581211 /nfs/dbraw/zinc/58/12/11/805581211.db2.gz KJUYBCNRBCEFDG-AQNXPRMDSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001087424119 805581219 /nfs/dbraw/zinc/58/12/19/805581219.db2.gz KJUYBCNRBCEFDG-AQNXPRMDSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087424119 805581225 /nfs/dbraw/zinc/58/12/25/805581225.db2.gz KJUYBCNRBCEFDG-AQNXPRMDSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001087424119 805581230 /nfs/dbraw/zinc/58/12/30/805581230.db2.gz KJUYBCNRBCEFDG-AQNXPRMDSA-N 2 1 357.498 1.867 20 30 FDEDMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969703847 770702235 /nfs/dbraw/zinc/70/22/35/770702235.db2.gz LHSUNDORYXKZJG-RZQQEMMASA-N 2 1 357.473 1.954 20 30 FDEDMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969703847 770702244 /nfs/dbraw/zinc/70/22/44/770702244.db2.gz LHSUNDORYXKZJG-RZQQEMMASA-N 2 1 357.473 1.954 20 30 FDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481137 771872192 /nfs/dbraw/zinc/87/21/92/771872192.db2.gz FHALYNRHMWUOJB-UJRDFLTJSA-N 2 1 357.498 1.091 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656311086 774898224 /nfs/dbraw/zinc/89/82/24/774898224.db2.gz IWBOLPZLOSNLBR-ZWKOTPCHSA-N 2 1 362.518 1.276 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104363953 777490653 /nfs/dbraw/zinc/49/06/53/777490653.db2.gz PWZVKIAAKQJBTF-IXDOHACOSA-N 2 1 366.550 1.482 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291541 796141936 /nfs/dbraw/zinc/14/19/36/796141936.db2.gz WIECPWQNCRDBPQ-LJQANCHMSA-N 2 1 359.518 1.006 20 30 FDEDMP C=CC[C@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000662685836 806958490 /nfs/dbraw/zinc/95/84/90/806958490.db2.gz YUOWNWNCHDWEPO-YLJYHZDGSA-N 2 1 356.470 1.773 20 30 FDEDMP C=CC[C@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000662685836 806958493 /nfs/dbraw/zinc/95/84/93/806958493.db2.gz YUOWNWNCHDWEPO-YLJYHZDGSA-N 2 1 356.470 1.773 20 30 FDEDMP C#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001112531026 806992274 /nfs/dbraw/zinc/99/22/74/806992274.db2.gz AQTJMVIUIBENJR-JXFKEZNVSA-N 2 1 356.470 1.736 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N(C)Cc1ccon1 ZINC000261683744 809530282 /nfs/dbraw/zinc/53/02/82/809530282.db2.gz DJLSLNVMAAZEEB-UHFFFAOYSA-N 2 1 362.522 1.632 20 30 FDEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261764758 810762733 /nfs/dbraw/zinc/76/27/33/810762733.db2.gz OQCQSKGDEFKMHR-FJIDUMEYSA-N 2 1 364.534 1.420 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261933304 811346421 /nfs/dbraw/zinc/34/64/21/811346421.db2.gz BWBPBAXNIZFAAY-RHSMWYFYSA-N 2 1 355.486 1.223 20 30 FDEDMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261993121 811362978 /nfs/dbraw/zinc/36/29/78/811362978.db2.gz MYABLKLGPPUNMN-MRXNPFEDSA-N 2 1 359.522 1.424 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnc(C)o3)CC[C@@H]2C1 ZINC001087998201 825076061 /nfs/dbraw/zinc/07/60/61/825076061.db2.gz WSAJEGCUKCLQSS-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnc(C)o3)CC[C@@H]2C1 ZINC001087998201 825076069 /nfs/dbraw/zinc/07/60/69/825076069.db2.gz WSAJEGCUKCLQSS-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnc(C)o3)CC[C@@H]2C1 ZINC001087998201 825076081 /nfs/dbraw/zinc/07/60/81/825076081.db2.gz WSAJEGCUKCLQSS-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnc(C)o3)CC[C@@H]2C1 ZINC001087998201 825076092 /nfs/dbraw/zinc/07/60/92/825076092.db2.gz WSAJEGCUKCLQSS-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncs3)CC[C@@H]2C1 ZINC001087998203 825076785 /nfs/dbraw/zinc/07/67/85/825076785.db2.gz WWTXXRQKCYNWIW-RYRKJORJSA-N 2 1 358.511 1.521 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncs3)CC[C@@H]2C1 ZINC001087998203 825076794 /nfs/dbraw/zinc/07/67/94/825076794.db2.gz WWTXXRQKCYNWIW-RYRKJORJSA-N 2 1 358.511 1.521 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncs3)CC[C@@H]2C1 ZINC001087998203 825076805 /nfs/dbraw/zinc/07/68/05/825076805.db2.gz WWTXXRQKCYNWIW-RYRKJORJSA-N 2 1 358.511 1.521 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncs3)CC[C@@H]2C1 ZINC001087998203 825076815 /nfs/dbraw/zinc/07/68/15/825076815.db2.gz WWTXXRQKCYNWIW-RYRKJORJSA-N 2 1 358.511 1.521 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NCCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000281740127 826203076 /nfs/dbraw/zinc/20/30/76/826203076.db2.gz JWRAQPUHFVISOO-UHFFFAOYSA-N 2 1 363.506 1.134 20 30 FDEDMP O=C(C[NH+]1CCCC1)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001088201230 827443708 /nfs/dbraw/zinc/44/37/08/827443708.db2.gz RHNPFORTRQLBNV-RTWAWAEBSA-N 2 1 351.494 1.914 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C)cc1C#N ZINC001088577547 835244382 /nfs/dbraw/zinc/24/43/82/835244382.db2.gz AKRWSUBYQBMHJU-RGCFKVTRSA-N 2 1 370.497 1.986 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C)cc1C#N ZINC001088577547 835244393 /nfs/dbraw/zinc/24/43/93/835244393.db2.gz AKRWSUBYQBMHJU-RGCFKVTRSA-N 2 1 370.497 1.986 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C)cc1C#N ZINC001088577547 835244404 /nfs/dbraw/zinc/24/44/04/835244404.db2.gz AKRWSUBYQBMHJU-RGCFKVTRSA-N 2 1 370.497 1.986 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)cc1C#N ZINC001088577547 835244414 /nfs/dbraw/zinc/24/44/14/835244414.db2.gz AKRWSUBYQBMHJU-RGCFKVTRSA-N 2 1 370.497 1.986 20 30 FDEDMP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CCO2 ZINC001105471087 837906509 /nfs/dbraw/zinc/90/65/09/837906509.db2.gz UTNTWZDPURDAAS-KYBDOYODSA-N 2 1 361.530 1.870 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)O1 ZINC001075943550 841034090 /nfs/dbraw/zinc/03/40/90/841034090.db2.gz WIFYRNBYLBOJCJ-LTCOOKNTSA-N 2 1 374.510 1.372 20 30 FDEDMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083522093 846083190 /nfs/dbraw/zinc/08/31/90/846083190.db2.gz SXLKWMUVLRNDTL-AQNXPRMDSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083522093 846083199 /nfs/dbraw/zinc/08/31/99/846083199.db2.gz SXLKWMUVLRNDTL-AQNXPRMDSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083522093 846083205 /nfs/dbraw/zinc/08/32/05/846083205.db2.gz SXLKWMUVLRNDTL-AQNXPRMDSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083522093 846083214 /nfs/dbraw/zinc/08/32/14/846083214.db2.gz SXLKWMUVLRNDTL-AQNXPRMDSA-N 2 1 370.497 1.197 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569499 848467404 /nfs/dbraw/zinc/46/74/04/848467404.db2.gz YWQXDXANVSFWDH-CMKODMSKSA-N 2 1 368.481 1.573 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569499 848467411 /nfs/dbraw/zinc/46/74/11/848467411.db2.gz YWQXDXANVSFWDH-CMKODMSKSA-N 2 1 368.481 1.573 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569499 848467415 /nfs/dbraw/zinc/46/74/15/848467415.db2.gz YWQXDXANVSFWDH-CMKODMSKSA-N 2 1 368.481 1.573 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCCCO4)C[C@H]32)CC1 ZINC001076605479 848555555 /nfs/dbraw/zinc/55/55/55/848555555.db2.gz BXKSOSKVBONMGA-SLFFLAALSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4nccnc4C)C[C@H]32)CC1 ZINC001076605502 848555849 /nfs/dbraw/zinc/55/58/49/848555849.db2.gz DGCCXXNVRDPTAZ-AZUAARDMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4nccnc4C)C[C@H]32)CC1 ZINC001076605502 848555853 /nfs/dbraw/zinc/55/58/53/848555853.db2.gz DGCCXXNVRDPTAZ-AZUAARDMSA-N 2 1 367.497 1.163 20 30 FDEDMP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)c1 ZINC001077217696 850126513 /nfs/dbraw/zinc/12/65/13/850126513.db2.gz BSHXCOLOPFDMJQ-RTBURBONSA-N 2 1 368.481 1.096 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)c1 ZINC001077217696 850126522 /nfs/dbraw/zinc/12/65/22/850126522.db2.gz BSHXCOLOPFDMJQ-RTBURBONSA-N 2 1 368.481 1.096 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1C#N ZINC001088983057 865911773 /nfs/dbraw/zinc/91/17/73/865911773.db2.gz FXCMAVDBYBHWIU-QAPCUYQASA-N 2 1 368.481 1.742 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)cc1C#N ZINC001088983057 865911776 /nfs/dbraw/zinc/91/17/76/865911776.db2.gz FXCMAVDBYBHWIU-QAPCUYQASA-N 2 1 368.481 1.742 20 30 FDEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309972 874740986 /nfs/dbraw/zinc/74/09/86/874740986.db2.gz JRBRDDAOMWDPTE-NMFUWQPSSA-N 2 1 374.323 1.298 20 30 FDEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001106309972 874740993 /nfs/dbraw/zinc/74/09/93/874740993.db2.gz JRBRDDAOMWDPTE-NMFUWQPSSA-N 2 1 374.323 1.298 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC000922527226 878454761 /nfs/dbraw/zinc/45/47/61/878454761.db2.gz DVOKDQOYKVSDQV-UHFFFAOYSA-N 2 1 355.486 1.887 20 30 FDEDMP C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001034325195 884195474 /nfs/dbraw/zinc/19/54/74/884195474.db2.gz ZEFKUIAMVOQLDY-QRVBRYPASA-N 2 1 365.518 1.413 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CC2 ZINC001035197694 885739783 /nfs/dbraw/zinc/73/97/83/885739783.db2.gz RSDKSUODYSKVRR-HZPDHXFCSA-N 2 1 355.910 1.773 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CC2 ZINC001035197694 885739790 /nfs/dbraw/zinc/73/97/90/885739790.db2.gz RSDKSUODYSKVRR-HZPDHXFCSA-N 2 1 355.910 1.773 20 30 FDEDMP C=C(Cl)C[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035197694 885739798 /nfs/dbraw/zinc/73/97/98/885739798.db2.gz RSDKSUODYSKVRR-HZPDHXFCSA-N 2 1 355.910 1.773 20 30 FDEDMP C=C(Cl)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)CC2 ZINC001035197694 885739802 /nfs/dbraw/zinc/73/98/02/885739802.db2.gz RSDKSUODYSKVRR-HZPDHXFCSA-N 2 1 355.910 1.773 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001031681355 887379194 /nfs/dbraw/zinc/37/91/94/887379194.db2.gz NZLROVYRDITTJV-DNVCBOLYSA-N 2 1 356.470 1.477 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000923393347 889105083 /nfs/dbraw/zinc/10/50/83/889105083.db2.gz PACDVOYSKJEGAU-HNBVOPMISA-N 2 1 359.470 1.659 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002853174 894654311 /nfs/dbraw/zinc/65/43/11/894654311.db2.gz UMXLPCKVPOMFJS-DNVCBOLYSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002853174 894654318 /nfs/dbraw/zinc/65/43/18/894654318.db2.gz UMXLPCKVPOMFJS-DNVCBOLYSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CCC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107517 896967441 /nfs/dbraw/zinc/96/74/41/896967441.db2.gz SKFRMUDFVYDIDL-NZSAHSFTSA-N 2 1 369.513 1.230 20 30 FDEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001106986476 897601931 /nfs/dbraw/zinc/60/19/31/897601931.db2.gz QPAIKUMOLBTHBA-BXUZGUMPSA-N 2 1 355.280 1.784 20 30 FDEDMP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079129899 901937761 /nfs/dbraw/zinc/93/77/61/901937761.db2.gz NCKZRNDBFWXIAO-VAMGGRTRSA-N 2 1 355.482 1.178 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129899 901937766 /nfs/dbraw/zinc/93/77/66/901937766.db2.gz NCKZRNDBFWXIAO-VAMGGRTRSA-N 2 1 355.482 1.178 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129899 901937771 /nfs/dbraw/zinc/93/77/71/901937771.db2.gz NCKZRNDBFWXIAO-VAMGGRTRSA-N 2 1 355.482 1.178 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)cc3)C[C@H]2OC)CC1 ZINC001082384156 907385946 /nfs/dbraw/zinc/38/59/46/907385946.db2.gz GGMRNLIBCOAXML-NHCUHLMSSA-N 2 1 369.509 1.656 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2N(C)C)C1 ZINC001082567799 908701803 /nfs/dbraw/zinc/70/18/03/908701803.db2.gz BZUOZNIWILLJPC-QFUCXCTJSA-N 2 1 368.525 1.787 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2N(C)C)C1 ZINC001082567799 908701810 /nfs/dbraw/zinc/70/18/10/908701810.db2.gz BZUOZNIWILLJPC-QFUCXCTJSA-N 2 1 368.525 1.787 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001082568090 908706045 /nfs/dbraw/zinc/70/60/45/908706045.db2.gz XAEXAEMNSQBHAF-ZMYBRWDISA-N 2 1 361.436 1.999 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1 ZINC001082568090 908706062 /nfs/dbraw/zinc/70/60/62/908706062.db2.gz XAEXAEMNSQBHAF-ZMYBRWDISA-N 2 1 361.436 1.999 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001082703462 909699173 /nfs/dbraw/zinc/69/91/73/909699173.db2.gz VTXLGHNHKPOLSQ-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001082703462 909699176 /nfs/dbraw/zinc/69/91/76/909699176.db2.gz VTXLGHNHKPOLSQ-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000998987984 911953225 /nfs/dbraw/zinc/95/32/25/911953225.db2.gz QEDOKOXEQLSKPP-BLYZHGLHSA-N 2 1 360.296 1.193 20 30 FDEDMP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000998987984 911953229 /nfs/dbraw/zinc/95/32/29/911953229.db2.gz QEDOKOXEQLSKPP-BLYZHGLHSA-N 2 1 360.296 1.193 20 30 FDEDMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084773420 917026310 /nfs/dbraw/zinc/02/63/10/917026310.db2.gz OZTJMMFQJRUJHN-IIDMSEBBSA-N 2 1 358.511 1.994 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084773420 917026317 /nfs/dbraw/zinc/02/63/17/917026317.db2.gz OZTJMMFQJRUJHN-IIDMSEBBSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084773420 917026323 /nfs/dbraw/zinc/02/63/23/917026323.db2.gz OZTJMMFQJRUJHN-IIDMSEBBSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084773420 917026331 /nfs/dbraw/zinc/02/63/31/917026331.db2.gz OZTJMMFQJRUJHN-IIDMSEBBSA-N 2 1 358.511 1.994 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)s4)[C@H]3C2)C1 ZINC001085092802 920806783 /nfs/dbraw/zinc/80/67/83/920806783.db2.gz QSSXBPAJIFXERC-VKJFTORMSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)s4)[C@H]3C2)C1 ZINC001085092802 920806803 /nfs/dbraw/zinc/80/68/03/920806803.db2.gz QSSXBPAJIFXERC-VKJFTORMSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)[C@H]3C2)C1 ZINC001085092802 920806822 /nfs/dbraw/zinc/80/68/22/920806822.db2.gz QSSXBPAJIFXERC-VKJFTORMSA-N 2 1 358.511 1.994 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085158888 921875613 /nfs/dbraw/zinc/87/56/13/921875613.db2.gz ADRZFMQNFZKEFR-QRVBRYPASA-N 2 1 356.470 1.406 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085158888 921875622 /nfs/dbraw/zinc/87/56/22/921875622.db2.gz ADRZFMQNFZKEFR-QRVBRYPASA-N 2 1 356.470 1.406 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC001085229636 922982121 /nfs/dbraw/zinc/98/21/21/922982121.db2.gz BYVUQKOSOAOVDO-AQNXPRMDSA-N 2 1 361.530 1.918 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC001085229636 922982131 /nfs/dbraw/zinc/98/21/31/922982131.db2.gz BYVUQKOSOAOVDO-AQNXPRMDSA-N 2 1 361.530 1.918 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279483 923461439 /nfs/dbraw/zinc/46/14/39/923461439.db2.gz MHQRKVFVXYEIGN-YLADIXGZSA-N 2 1 353.894 1.619 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337464 928765289 /nfs/dbraw/zinc/76/52/89/928765289.db2.gz JCRDCTHWGWIPDS-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101427 934267748 /nfs/dbraw/zinc/26/77/48/934267748.db2.gz OOVRCAAYEWNJNI-BDXSIMOUSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101427 934267754 /nfs/dbraw/zinc/26/77/54/934267754.db2.gz OOVRCAAYEWNJNI-BDXSIMOUSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101427 934267762 /nfs/dbraw/zinc/26/77/62/934267762.db2.gz OOVRCAAYEWNJNI-BDXSIMOUSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101427 934267771 /nfs/dbraw/zinc/26/77/71/934267771.db2.gz OOVRCAAYEWNJNI-BDXSIMOUSA-N 2 1 362.518 1.084 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433856 938424166 /nfs/dbraw/zinc/42/41/66/938424166.db2.gz WDYRRRBNFGQMFF-KSZLIROESA-N 2 1 362.522 1.542 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433856 938424167 /nfs/dbraw/zinc/42/41/67/938424167.db2.gz WDYRRRBNFGQMFF-KSZLIROESA-N 2 1 362.522 1.542 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433856 938424168 /nfs/dbraw/zinc/42/41/68/938424168.db2.gz WDYRRRBNFGQMFF-KSZLIROESA-N 2 1 362.522 1.542 20 30 FDEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001130293476 938796909 /nfs/dbraw/zinc/79/69/09/938796909.db2.gz WEXUPDGLDNUYTB-AEFFLSMTSA-N 2 1 364.534 1.378 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614685 939911938 /nfs/dbraw/zinc/91/19/38/939911938.db2.gz BDYOSXMTUVHVPS-UHOSZYNNSA-N 2 1 359.518 1.755 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130654618 939948432 /nfs/dbraw/zinc/94/84/32/939948432.db2.gz PSXDRYRVWFYBMN-GOEBONIOSA-N 2 1 353.898 1.398 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130695406 939990031 /nfs/dbraw/zinc/99/00/31/939990031.db2.gz QQWWHNJLFMVMHU-PKOBYXMFSA-N 2 1 370.501 1.866 20 30 FDEDMP C=C(Cl)CN[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cncn1C ZINC001131115269 940508784 /nfs/dbraw/zinc/50/87/84/940508784.db2.gz HJZNCDKHCVKAEK-HUUCEWRRSA-N 2 1 353.898 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cncn1C ZINC001131115269 940508787 /nfs/dbraw/zinc/50/87/87/940508787.db2.gz HJZNCDKHCVKAEK-HUUCEWRRSA-N 2 1 353.898 1.398 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001131316750 940551018 /nfs/dbraw/zinc/55/10/18/940551018.db2.gz ULPIWZQMUJCPME-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001131316750 940551019 /nfs/dbraw/zinc/55/10/19/940551019.db2.gz ULPIWZQMUJCPME-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316750 940551020 /nfs/dbraw/zinc/55/10/20/940551020.db2.gz ULPIWZQMUJCPME-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316750 940551022 /nfs/dbraw/zinc/55/10/22/940551022.db2.gz ULPIWZQMUJCPME-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000818589193 943297620 /nfs/dbraw/zinc/29/76/20/943297620.db2.gz UEHKGCJRGIBGMF-UHFFFAOYSA-N 2 1 366.506 1.047 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000818589193 943297630 /nfs/dbraw/zinc/29/76/30/943297630.db2.gz UEHKGCJRGIBGMF-UHFFFAOYSA-N 2 1 366.506 1.047 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000818612325 943301110 /nfs/dbraw/zinc/30/11/10/943301110.db2.gz WKVXWIBOXQOVKH-UHFFFAOYSA-N 2 1 356.514 1.578 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819335301 943531034 /nfs/dbraw/zinc/53/10/34/943531034.db2.gz VQAIBQIZAIIRRV-KRWDZBQOSA-N 2 1 353.507 1.539 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819335301 943531041 /nfs/dbraw/zinc/53/10/41/943531041.db2.gz VQAIBQIZAIIRRV-KRWDZBQOSA-N 2 1 353.507 1.539 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819334341 943531239 /nfs/dbraw/zinc/53/12/39/943531239.db2.gz GWRLQQMQOKVSTF-LJQANCHMSA-N 2 1 353.507 1.683 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819334341 943531245 /nfs/dbraw/zinc/53/12/45/943531245.db2.gz GWRLQQMQOKVSTF-LJQANCHMSA-N 2 1 353.507 1.683 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846611955 951375922 /nfs/dbraw/zinc/37/59/22/951375922.db2.gz LMOOTIHJTULRDS-FQEVSTJZSA-N 2 1 350.466 1.736 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846611955 951375933 /nfs/dbraw/zinc/37/59/33/951375933.db2.gz LMOOTIHJTULRDS-FQEVSTJZSA-N 2 1 350.466 1.736 20 30 FDEDMP C#CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)c2)C1 ZINC001091400540 951572507 /nfs/dbraw/zinc/57/25/07/951572507.db2.gz LMMQVLVOBYFLRY-SLFFLAALSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)c2)C1 ZINC001091400540 951572513 /nfs/dbraw/zinc/57/25/13/951572513.db2.gz LMMQVLVOBYFLRY-SLFFLAALSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)c2)C1 ZINC001091400540 951572520 /nfs/dbraw/zinc/57/25/20/951572520.db2.gz LMMQVLVOBYFLRY-SLFFLAALSA-N 2 1 370.497 1.514 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cnn(C)c1 ZINC001086979746 952993585 /nfs/dbraw/zinc/99/35/85/952993585.db2.gz PPMUUBXCASVLGY-MXASKKJJSA-N 2 1 365.909 1.397 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cnn(C)c1 ZINC001086979746 952993586 /nfs/dbraw/zinc/99/35/86/952993586.db2.gz PPMUUBXCASVLGY-MXASKKJJSA-N 2 1 365.909 1.397 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000772 953052172 /nfs/dbraw/zinc/05/21/72/953052172.db2.gz NEMYILWCDJNWBP-IPMKNSEASA-N 2 1 359.518 1.753 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011100 953102731 /nfs/dbraw/zinc/10/27/31/953102731.db2.gz FRUYNASLEXGZMM-XUVXKRRUSA-N 2 1 367.497 1.793 20 30 FDEDMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC001092275784 954668544 /nfs/dbraw/zinc/66/85/44/954668544.db2.gz PUNZTPPFWZBQMB-IRLDBZIGSA-N 2 1 351.494 1.914 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2C)CC1 ZINC001093224453 957856150 /nfs/dbraw/zinc/85/61/50/957856150.db2.gz WSICNVGWUVOHTP-VQIMIIECSA-N 2 1 369.513 1.314 20 30 FDEDMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)cc1C#N ZINC001093673242 958516519 /nfs/dbraw/zinc/51/65/19/958516519.db2.gz MZOXSNWGAMMKKW-LZQZEXGQSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cn2)[C@H](C)C1 ZINC001093832851 958925753 /nfs/dbraw/zinc/92/57/53/958925753.db2.gz CTPKKHGVEVESQY-MDZRGWNJSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(F)cn2)[C@H](C)C1 ZINC001093832851 958925758 /nfs/dbraw/zinc/92/57/58/958925758.db2.gz CTPKKHGVEVESQY-MDZRGWNJSA-N 2 1 358.461 1.502 20 30 FDEDMP C#C[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000775789832 972479933 /nfs/dbraw/zinc/47/99/33/972479933.db2.gz FFDNMGQNGPGQMK-BTHPGYMESA-N 2 1 355.482 1.536 20 30 FDEDMP C#C[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000775789832 972479938 /nfs/dbraw/zinc/47/99/38/972479938.db2.gz FFDNMGQNGPGQMK-BTHPGYMESA-N 2 1 355.482 1.536 20 30 FDEDMP C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2cncn2C)C1 ZINC001186203147 964349938 /nfs/dbraw/zinc/34/99/38/964349938.db2.gz DJNNITUWJMWUSH-YLJYHZDGSA-N 2 1 368.456 1.957 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC12CCOCC2 ZINC001186373063 964480092 /nfs/dbraw/zinc/48/00/92/964480092.db2.gz GEGXMCWGROMJCH-BRWVUGGUSA-N 2 1 369.937 1.924 20 30 FDEDMP C=CCN(CC=C)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958266 965930000 /nfs/dbraw/zinc/93/00/00/965930000.db2.gz NVIYYGNPSPWLRM-FCGDIQPGSA-N 2 1 374.529 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958266 965930001 /nfs/dbraw/zinc/93/00/01/965930001.db2.gz NVIYYGNPSPWLRM-FCGDIQPGSA-N 2 1 374.529 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958266 965930009 /nfs/dbraw/zinc/93/00/09/965930009.db2.gz NVIYYGNPSPWLRM-FCGDIQPGSA-N 2 1 374.529 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958266 965930012 /nfs/dbraw/zinc/93/00/12/965930012.db2.gz NVIYYGNPSPWLRM-FCGDIQPGSA-N 2 1 374.529 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958266 965930014 /nfs/dbraw/zinc/93/00/14/965930014.db2.gz NVIYYGNPSPWLRM-FCGDIQPGSA-N 2 1 374.529 1.060 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189870680 967321462 /nfs/dbraw/zinc/32/14/62/967321462.db2.gz CWZJRQQMBXLSOW-OKZBNKHCSA-N 2 1 362.518 1.038 20 30 FDEDMP CCOC(=O)CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852884199 967688024 /nfs/dbraw/zinc/68/80/24/967688024.db2.gz VJORCNVYGHFWSC-GOSISDBHSA-N 2 1 363.502 1.256 20 30 FDEDMP C=CCS(=O)(=O)CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849078888 977306290 /nfs/dbraw/zinc/30/62/90/977306290.db2.gz JKDFDTFMYDSZDN-UHFFFAOYSA-N 2 1 364.515 1.366 20 30 FDEDMP C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852101296 979351131 /nfs/dbraw/zinc/35/11/31/979351131.db2.gz OYDPCHJGBXLZBZ-UWJYYQICSA-N 2 1 357.498 1.915 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748943 982102198 /nfs/dbraw/zinc/10/21/98/982102198.db2.gz YTHHXFMRMRPSMO-LZQZEXGQSA-N 2 1 352.438 1.628 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc3c[nH+]cn3c1C)C2 ZINC001110748943 982102199 /nfs/dbraw/zinc/10/21/99/982102199.db2.gz YTHHXFMRMRPSMO-LZQZEXGQSA-N 2 1 352.438 1.628 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000884135674 982918799 /nfs/dbraw/zinc/91/87/99/982918799.db2.gz QORDRLNJBGUNPZ-MRXNPFEDSA-N 2 1 350.507 1.273 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000884135674 982918802 /nfs/dbraw/zinc/91/88/02/982918802.db2.gz QORDRLNJBGUNPZ-MRXNPFEDSA-N 2 1 350.507 1.273 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CCc3cccs3)CC1)C2 ZINC000884192157 982968180 /nfs/dbraw/zinc/96/81/80/982968180.db2.gz XJHSBFJSPNHCCI-KOHRHEQBSA-N 2 1 358.511 1.574 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1 ZINC000884201665 982976993 /nfs/dbraw/zinc/97/69/93/982976993.db2.gz DSGVGMMOWXRZCQ-LYJLFMANSA-N 2 1 360.502 1.226 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1 ZINC000884201665 982976998 /nfs/dbraw/zinc/97/69/98/982976998.db2.gz DSGVGMMOWXRZCQ-LYJLFMANSA-N 2 1 360.502 1.226 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000884221973 982996070 /nfs/dbraw/zinc/99/60/70/982996070.db2.gz FAXQCEJUEITUNG-LSNYBQGISA-N 2 1 352.482 1.907 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871050813 986617628 /nfs/dbraw/zinc/61/76/28/986617628.db2.gz KDCNOUHXAMBWDZ-TVFCKZIOSA-N 2 1 372.517 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000871050813 986617632 /nfs/dbraw/zinc/61/76/32/986617632.db2.gz KDCNOUHXAMBWDZ-TVFCKZIOSA-N 2 1 372.517 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000871050813 986617637 /nfs/dbraw/zinc/61/76/37/986617637.db2.gz KDCNOUHXAMBWDZ-TVFCKZIOSA-N 2 1 372.517 1.530 20 30 FDEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924995689 995221412 /nfs/dbraw/zinc/22/14/12/995221412.db2.gz XXKJTSZDWABOGO-HZPDHXFCSA-N 2 1 368.522 1.818 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000264242014 997434970 /nfs/dbraw/zinc/43/49/70/997434970.db2.gz FJGJAUXPSXLCEH-INIZCTEOSA-N 2 1 374.407 1.063 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264982590 997666684 /nfs/dbraw/zinc/66/66/84/997666684.db2.gz MDHUZUSEWKCOAY-FQEVSTJZSA-N 2 1 373.545 1.048 20 30 FDEDMP [NH2+]=C(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)NCC1CCC1 ZINC000104166472 998311240 /nfs/dbraw/zinc/31/12/40/998311240.db2.gz JAUKLGJKKGUDPK-UHFFFAOYSA-N 2 1 373.501 1.552 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000928657731 1001613304 /nfs/dbraw/zinc/61/33/04/1001613304.db2.gz VYTUUEXDUBEXAR-UHFFFAOYSA-N 2 1 354.498 1.018 20 30 FDEDMP C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484647 1004201189 /nfs/dbraw/zinc/20/11/89/1004201189.db2.gz OONIGUVIZBFKBZ-KRWDZBQOSA-N 2 1 358.486 1.710 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111038990 1005127311 /nfs/dbraw/zinc/12/73/11/1005127311.db2.gz UKTYQMCDBKDLEN-MANSERQUSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCn1cc(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000638362829 1006475286 /nfs/dbraw/zinc/47/52/86/1006475286.db2.gz LKHUSEIZLFHFFI-UHFFFAOYSA-N 2 1 368.485 1.464 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000157392944 1006908678 /nfs/dbraw/zinc/90/86/78/1006908678.db2.gz HJPWTXWBMFWOQT-MRXNPFEDSA-N 2 1 367.538 1.880 20 30 FDEDMP COc1cccc(NC(=[NH2+])NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000303768306 1009572421 /nfs/dbraw/zinc/57/24/21/1009572421.db2.gz AGKXVQINQJCKMI-UHFFFAOYSA-N 2 1 369.473 1.424 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000303971350 1009783336 /nfs/dbraw/zinc/78/33/36/1009783336.db2.gz DLEYPWUHQJICLZ-GOSISDBHSA-N 3 1 361.534 1.906 20 30 FDEDMP C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000304765852 1010489245 /nfs/dbraw/zinc/48/92/45/1010489245.db2.gz ZVRXSMPAECHQFX-VQIMIIECSA-N 2 1 371.529 1.931 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000779654250 1010660956 /nfs/dbraw/zinc/66/09/56/1010660956.db2.gz NVBVOXOCRXPKCI-OAHLLOKOSA-N 2 1 370.413 1.716 20 30 FDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000779654250 1010660958 /nfs/dbraw/zinc/66/09/58/1010660958.db2.gz NVBVOXOCRXPKCI-OAHLLOKOSA-N 2 1 370.413 1.716 20 30 FDEDMP Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(N2CCCC2)n1 ZINC000305831030 1012786033 /nfs/dbraw/zinc/78/60/33/1012786033.db2.gz UEKWXNPTIKYPCS-UHFFFAOYSA-N 2 1 360.506 1.117 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000517024954 539342996 /nfs/dbraw/zinc/34/29/96/539342996.db2.gz MDLVOABXSOKOKV-SFHVURJKSA-N 2 1 373.497 1.941 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000553330237 543610879 /nfs/dbraw/zinc/61/08/79/543610879.db2.gz BEWMTXZKOVBXSA-CALCHBBNSA-N 2 1 364.534 1.522 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1csc(-c2ccccc2)n1 ZINC000084734671 524326720 /nfs/dbraw/zinc/32/67/20/524326720.db2.gz NYPZFQZLVVXHMT-UHFFFAOYSA-N 2 1 373.526 1.979 20 30 FDEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181720 525398794 /nfs/dbraw/zinc/39/87/94/525398794.db2.gz FURVJXFUEMTHMP-HXUWFJFHSA-N 2 1 373.545 1.178 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000104181720 525398801 /nfs/dbraw/zinc/39/88/01/525398801.db2.gz FURVJXFUEMTHMP-HXUWFJFHSA-N 3 1 373.545 1.178 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181720 525398807 /nfs/dbraw/zinc/39/88/07/525398807.db2.gz FURVJXFUEMTHMP-HXUWFJFHSA-N 3 1 373.545 1.178 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@H](CCC)C2)CC1 ZINC000179538015 525599657 /nfs/dbraw/zinc/59/96/57/525599657.db2.gz YUWXULGBJWZRPT-GOSISDBHSA-N 2 1 352.523 1.779 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000170911769 525766697 /nfs/dbraw/zinc/76/66/97/525766697.db2.gz JVDZXADMOWPXRY-UHFFFAOYSA-N 3 1 359.518 1.409 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171305244 525939022 /nfs/dbraw/zinc/93/90/22/525939022.db2.gz PUKFHKZNQUEADC-JYJNAYRXSA-N 2 1 366.506 1.208 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000171568197 526038064 /nfs/dbraw/zinc/03/80/64/526038064.db2.gz CZRMNCHYCKKWFF-SJLPKXTDSA-N 2 1 362.518 1.086 20 30 FDEDMP [NH2+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000263258060 537003304 /nfs/dbraw/zinc/00/33/04/537003304.db2.gz RNZUHHVUOJXHDU-MRXNPFEDSA-N 2 1 369.473 1.343 20 30 FDEDMP C#Cc1cccc(NC(=O)C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000192723496 537231231 /nfs/dbraw/zinc/23/12/31/537231231.db2.gz DWHMELLCRFXWSI-UHFFFAOYSA-N 2 1 356.514 1.954 20 30 FDEDMP C[NH+]1CCC([NH+]2CCC(CCNS(=O)(=O)CCCC#N)CC2)CC1 ZINC000363638198 537264113 /nfs/dbraw/zinc/26/41/13/537264113.db2.gz HLDVGQNVMFKSNR-UHFFFAOYSA-N 2 1 356.536 1.406 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3CC[NH2+]CC3)CC2)cc1 ZINC000581993010 551160061 /nfs/dbraw/zinc/16/00/61/551160061.db2.gz VBZSDCQYWMHAEL-UHFFFAOYSA-N 2 1 355.486 1.775 20 30 FDEDMP Cc1ccc(NCCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[nH+]c1 ZINC000591748143 551905603 /nfs/dbraw/zinc/90/56/03/551905603.db2.gz ZPWSRKNZWPTQJO-UHFFFAOYSA-N 2 1 358.467 2.127 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000594439896 552310788 /nfs/dbraw/zinc/31/07/88/552310788.db2.gz VXQFRUWSVMGOKW-SFHVURJKSA-N 2 1 358.490 1.121 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[N@@H+]1CCC)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000620747885 555978802 /nfs/dbraw/zinc/97/88/02/555978802.db2.gz IEQMGCJRTNZFQH-HDICACEKSA-N 2 1 364.534 1.524 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[NH+]1CCC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000620747885 555978805 /nfs/dbraw/zinc/97/88/05/555978805.db2.gz IEQMGCJRTNZFQH-HDICACEKSA-N 2 1 364.534 1.524 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[NH+]1CCC)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000620747885 555978809 /nfs/dbraw/zinc/97/88/09/555978809.db2.gz IEQMGCJRTNZFQH-HDICACEKSA-N 2 1 364.534 1.524 20 30 FDEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCSC2(CCCCC2)C1 ZINC000153565241 671903837 /nfs/dbraw/zinc/90/38/37/671903837.db2.gz UEZLFRXMQZZVTK-UHFFFAOYSA-N 2 1 367.607 1.951 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000261820713 672677866 /nfs/dbraw/zinc/67/78/66/672677866.db2.gz UJRFRWUXRRYKOO-QLFBSQMISA-N 2 1 363.472 1.766 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262411647 672785242 /nfs/dbraw/zinc/78/52/42/672785242.db2.gz PKACKYCRDJSBAT-TWMKSMIVSA-N 2 1 350.507 1.029 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)ccc1OC ZINC000264083939 672900667 /nfs/dbraw/zinc/90/06/67/672900667.db2.gz IHQKOPGYIGUTEH-BBRMVZONSA-N 2 1 350.463 1.126 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(OCC(F)F)c1 ZINC000264271102 672906609 /nfs/dbraw/zinc/90/66/09/672906609.db2.gz LSVLOBSLDHXCGK-UHFFFAOYSA-N 2 1 356.417 1.457 20 30 FDEDMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303902435 676543804 /nfs/dbraw/zinc/54/38/04/676543804.db2.gz UAFBUBBCSWAEJV-QZTJIDSGSA-N 3 1 353.555 1.371 20 30 FDEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000303975498 676544013 /nfs/dbraw/zinc/54/40/13/676544013.db2.gz JCDFODAZEGLUKE-HNNXBMFYSA-N 2 1 350.463 1.219 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000304749670 676544343 /nfs/dbraw/zinc/54/43/43/676544343.db2.gz HWZUJSIFOAXDON-BBRMVZONSA-N 2 1 353.461 1.956 20 30 FDEDMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000329128043 676621623 /nfs/dbraw/zinc/62/16/23/676621623.db2.gz VDDZSCXBEFEDND-SJORKVTESA-N 2 1 350.507 1.762 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000329294917 676631621 /nfs/dbraw/zinc/63/16/21/676631621.db2.gz SBHHFJHZYAHVCE-DDBAPUKQSA-N 2 1 352.523 1.741 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)NC1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000329716043 676651062 /nfs/dbraw/zinc/65/10/62/676651062.db2.gz VWOZDYWQBYSROK-CABCVRRESA-N 2 1 352.479 1.637 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000329716043 676651063 /nfs/dbraw/zinc/65/10/63/676651063.db2.gz VWOZDYWQBYSROK-CABCVRRESA-N 2 1 352.479 1.637 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)NCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000329716043 676651064 /nfs/dbraw/zinc/65/10/64/676651064.db2.gz VWOZDYWQBYSROK-CABCVRRESA-N 2 1 352.479 1.637 20 30 FDEDMP CC(C)[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330245790 676680734 /nfs/dbraw/zinc/68/07/34/676680734.db2.gz XWCKEGSLORTACO-QZTJIDSGSA-N 2 1 352.523 1.694 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CCC1 ZINC000474587323 685427071 /nfs/dbraw/zinc/42/70/71/685427071.db2.gz SJGCMXMEDAPFLQ-MRXNPFEDSA-N 2 1 356.536 1.358 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CCC1 ZINC000474587323 685427078 /nfs/dbraw/zinc/42/70/78/685427078.db2.gz SJGCMXMEDAPFLQ-MRXNPFEDSA-N 2 1 356.536 1.358 20 30 FDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@H]2C1 ZINC001083194059 771239670 /nfs/dbraw/zinc/23/96/70/771239670.db2.gz UCINBPXGUZFERJ-VQTJNVASSA-N 2 1 357.498 1.892 20 30 FDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001104290018 773663505 /nfs/dbraw/zinc/66/35/05/773663505.db2.gz XKGLUDLOJUIWOX-QWFCFKBJSA-N 2 1 361.530 1.727 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294611 773895374 /nfs/dbraw/zinc/89/53/74/773895374.db2.gz TWJDVIQOKYBWRL-IXDOHACOSA-N 2 1 364.534 1.236 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC000971781685 779069006 /nfs/dbraw/zinc/06/90/06/779069006.db2.gz MARLYDWYCGPBCE-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC000971781685 779069014 /nfs/dbraw/zinc/06/90/14/779069014.db2.gz MARLYDWYCGPBCE-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC000971781685 779069021 /nfs/dbraw/zinc/06/90/21/779069021.db2.gz MARLYDWYCGPBCE-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC000971781685 779069028 /nfs/dbraw/zinc/06/90/28/779069028.db2.gz MARLYDWYCGPBCE-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518278 783600136 /nfs/dbraw/zinc/60/01/36/783600136.db2.gz AQPYDPZWNQGXSR-LQWHRVPQSA-N 2 1 354.498 1.996 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+]([C@@H](C)C(=O)NCC=C)CC2 ZINC000364080267 795135708 /nfs/dbraw/zinc/13/57/08/795135708.db2.gz FKLRZAFQHGBFKS-IRXDYDNUSA-N 2 1 362.518 1.156 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)NC1(C#N)CCCCC1 ZINC000364347609 795795059 /nfs/dbraw/zinc/79/50/59/795795059.db2.gz OFEMHFXWDBFHDS-FGTMMUONSA-N 2 1 362.518 1.808 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000364347609 795795068 /nfs/dbraw/zinc/79/50/68/795795068.db2.gz OFEMHFXWDBFHDS-FGTMMUONSA-N 2 1 362.518 1.808 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000364347609 795795070 /nfs/dbraw/zinc/79/50/70/795795070.db2.gz OFEMHFXWDBFHDS-FGTMMUONSA-N 2 1 362.518 1.808 20 30 FDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530487 806587266 /nfs/dbraw/zinc/58/72/66/806587266.db2.gz WZXALAOKXVRIIP-LQWHRVPQSA-N 2 1 354.498 1.996 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[N@H+]1C ZINC000978182340 805262655 /nfs/dbraw/zinc/26/26/55/805262655.db2.gz QMAXLMRWPJMOAC-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[NH+]1C ZINC000978182340 805262665 /nfs/dbraw/zinc/26/26/65/805262665.db2.gz QMAXLMRWPJMOAC-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[NH+]1C ZINC000978182340 805262673 /nfs/dbraw/zinc/26/26/73/805262673.db2.gz QMAXLMRWPJMOAC-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261691342 809845346 /nfs/dbraw/zinc/84/53/46/809845346.db2.gz INDKBUIBBIARMT-QGZVFWFLSA-N 2 1 374.533 1.728 20 30 FDEDMP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261693034 811298920 /nfs/dbraw/zinc/29/89/20/811298920.db2.gz FIEOUEGAYIPJBK-RHSMWYFYSA-N 2 1 353.474 1.415 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262004587 811365115 /nfs/dbraw/zinc/36/51/15/811365115.db2.gz VGWRFSJVQDFTRC-KSSFIOAISA-N 2 1 367.501 1.723 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262020388 811369392 /nfs/dbraw/zinc/36/93/92/811369392.db2.gz YPJNSCSMFDSLJN-RDTXWAMCSA-N 2 1 367.501 1.723 20 30 FDEDMP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[NH+](C[C@@H]3CCOC3)CC2)C12CCC2 ZINC000261869816 814815312 /nfs/dbraw/zinc/81/53/12/814815312.db2.gz ZNFGLBHERAFZIR-OKZBNKHCSA-N 2 1 364.534 1.564 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894639664 818274768 /nfs/dbraw/zinc/27/47/68/818274768.db2.gz QWEVRWLQDFNUKW-DLBZAZTESA-N 2 1 365.518 1.994 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894639664 818274780 /nfs/dbraw/zinc/27/47/80/818274780.db2.gz QWEVRWLQDFNUKW-DLBZAZTESA-N 2 1 365.518 1.994 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894639667 818274969 /nfs/dbraw/zinc/27/49/69/818274969.db2.gz QWEVRWLQDFNUKW-IRXDYDNUSA-N 2 1 365.518 1.994 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894639667 818274981 /nfs/dbraw/zinc/27/49/81/818274981.db2.gz QWEVRWLQDFNUKW-IRXDYDNUSA-N 2 1 365.518 1.994 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087908885 823734178 /nfs/dbraw/zinc/73/41/78/823734178.db2.gz QCHGBERTHASZHY-HKBOAZHASA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087908885 823734181 /nfs/dbraw/zinc/73/41/81/823734181.db2.gz QCHGBERTHASZHY-HKBOAZHASA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087908885 823734184 /nfs/dbraw/zinc/73/41/84/823734184.db2.gz QCHGBERTHASZHY-HKBOAZHASA-N 2 1 351.494 1.913 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3oc(C)nc3C)CC[C@@H]2C1 ZINC001087998174 825074207 /nfs/dbraw/zinc/07/42/07/825074207.db2.gz UZSUGLGPHWGYQC-QYZOEREBSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3oc(C)nc3C)CC[C@@H]2C1 ZINC001087998174 825074213 /nfs/dbraw/zinc/07/42/13/825074213.db2.gz UZSUGLGPHWGYQC-QYZOEREBSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3oc(C)nc3C)CC[C@@H]2C1 ZINC001087998174 825074225 /nfs/dbraw/zinc/07/42/25/825074225.db2.gz UZSUGLGPHWGYQC-QYZOEREBSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3oc(C)nc3C)CC[C@@H]2C1 ZINC001087998174 825074237 /nfs/dbraw/zinc/07/42/37/825074237.db2.gz UZSUGLGPHWGYQC-QYZOEREBSA-N 2 1 370.497 1.669 20 30 FDEDMP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCCC1 ZINC000330129646 825661665 /nfs/dbraw/zinc/66/16/65/825661665.db2.gz KCIYRWKGMCIYPK-MRXNPFEDSA-N 2 1 365.522 1.013 20 30 FDEDMP [NH2+]=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262486307 827417673 /nfs/dbraw/zinc/41/76/73/827417673.db2.gz UWGPMVRGBMVERB-GOSISDBHSA-N 3 1 352.486 1.767 20 30 FDEDMP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088201195 827443632 /nfs/dbraw/zinc/44/36/32/827443632.db2.gz PUENQMSYXDSPQF-UXHICEINSA-N 2 1 352.482 1.934 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@H](CC)OC)CC[C@@H]3C2)CC1 ZINC001088211799 827492666 /nfs/dbraw/zinc/49/26/66/827492666.db2.gz ARZKRTWMBDPURW-AABGKKOBSA-N 2 1 361.530 1.537 20 30 FDEDMP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467622 848193648 /nfs/dbraw/zinc/19/36/48/848193648.db2.gz OWJHCDJTUGHDIT-RBUKOAKNSA-N 2 1 350.466 1.687 20 30 FDEDMP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001076467622 848193654 /nfs/dbraw/zinc/19/36/54/848193654.db2.gz OWJHCDJTUGHDIT-RBUKOAKNSA-N 2 1 350.466 1.687 20 30 FDEDMP N#Cc1ccc(F)c(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001076467834 848195147 /nfs/dbraw/zinc/19/51/47/848195147.db2.gz VKMHSUDXNFBRNJ-QFBILLFUSA-N 2 1 368.456 1.826 20 30 FDEDMP N#Cc1ccc(F)c(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001076467834 848195148 /nfs/dbraw/zinc/19/51/48/848195148.db2.gz VKMHSUDXNFBRNJ-QFBILLFUSA-N 2 1 368.456 1.826 20 30 FDEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452236 852901279 /nfs/dbraw/zinc/90/12/79/852901279.db2.gz NNRUYBGCXXDIOB-OALUTQOASA-N 2 1 357.502 1.011 20 30 FDEDMP COc1ccc2c(c1)CCC[C@@H]2CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000164300272 862526954 /nfs/dbraw/zinc/52/69/54/862526954.db2.gz UOWNKNAVPWLWJX-QGZVFWFLSA-N 2 1 360.502 1.742 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668840224 857692647 /nfs/dbraw/zinc/69/26/47/857692647.db2.gz FKLVYOGNEMEGLA-MRXNPFEDSA-N 2 1 350.507 1.132 20 30 FDEDMP C[N@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000911921422 859111054 /nfs/dbraw/zinc/11/10/54/859111054.db2.gz IUXAXHPQRUELHA-NRFANRHFSA-N 2 1 370.497 1.486 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000761031302 863821270 /nfs/dbraw/zinc/82/12/70/863821270.db2.gz PWDHYUSGYKKXQY-UHFFFAOYSA-N 2 1 360.546 1.349 20 30 FDEDMP COc1ccc2ccccc2c1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170911107 865016025 /nfs/dbraw/zinc/01/60/25/865016025.db2.gz DCGGMTHRODSWGP-UHFFFAOYSA-N 2 1 356.470 1.975 20 30 FDEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106881521 881907452 /nfs/dbraw/zinc/90/74/52/881907452.db2.gz FFOFLTYNRLHEKI-BPLDGKMQSA-N 2 1 358.324 1.921 20 30 FDEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]2C)C1=O ZINC001106340349 874838616 /nfs/dbraw/zinc/83/86/16/874838616.db2.gz TWFJKIAQXORROK-ZACQAIPSSA-N 2 1 364.534 1.188 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357740 874895692 /nfs/dbraw/zinc/89/56/92/874895692.db2.gz MIUTYDXDDIFVKE-GUDVDZBRSA-N 2 1 351.535 1.994 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455192 875398621 /nfs/dbraw/zinc/39/86/21/875398621.db2.gz FBDASOSMRKOGJV-YDZJUHGASA-N 2 1 353.894 1.286 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001005407227 883298555 /nfs/dbraw/zinc/29/85/55/883298555.db2.gz NTEZYKQDABJMGK-NXHRZFHOSA-N 2 1 362.518 1.036 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830429 883756060 /nfs/dbraw/zinc/75/60/60/883756060.db2.gz SIPACPVYRBRPOU-KURKYZTESA-N 2 1 362.522 1.684 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830429 883756064 /nfs/dbraw/zinc/75/60/64/883756064.db2.gz SIPACPVYRBRPOU-KURKYZTESA-N 2 1 362.522 1.684 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830429 883756069 /nfs/dbraw/zinc/75/60/69/883756069.db2.gz SIPACPVYRBRPOU-KURKYZTESA-N 2 1 362.522 1.684 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830429 883756072 /nfs/dbraw/zinc/75/60/72/883756072.db2.gz SIPACPVYRBRPOU-KURKYZTESA-N 2 1 362.522 1.684 20 30 FDEDMP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999499020 912844683 /nfs/dbraw/zinc/84/46/83/912844683.db2.gz YNDZQYAXSSLJOT-HZSPNIEDSA-N 2 1 360.296 1.195 20 30 FDEDMP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999499020 912844700 /nfs/dbraw/zinc/84/47/00/912844700.db2.gz YNDZQYAXSSLJOT-HZSPNIEDSA-N 2 1 360.296 1.195 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029887 885342821 /nfs/dbraw/zinc/34/28/21/885342821.db2.gz OALFOUBTMQFFEV-BBWFWOEESA-N 2 1 366.485 1.266 20 30 FDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516319 886107943 /nfs/dbraw/zinc/10/79/43/886107943.db2.gz CZDBXTOVMHOJJW-AQNXPRMDSA-N 2 1 357.498 1.725 20 30 FDEDMP C=CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516319 886107944 /nfs/dbraw/zinc/10/79/44/886107944.db2.gz CZDBXTOVMHOJJW-AQNXPRMDSA-N 2 1 357.498 1.725 20 30 FDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516319 886107946 /nfs/dbraw/zinc/10/79/46/886107946.db2.gz CZDBXTOVMHOJJW-AQNXPRMDSA-N 2 1 357.498 1.725 20 30 FDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516319 886107949 /nfs/dbraw/zinc/10/79/49/886107949.db2.gz CZDBXTOVMHOJJW-AQNXPRMDSA-N 2 1 357.498 1.725 20 30 FDEDMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000187056592 887734503 /nfs/dbraw/zinc/73/45/03/887734503.db2.gz DKKXJDWNVVHVGV-FQEVSTJZSA-N 2 1 373.545 1.524 20 30 FDEDMP C#CCN(C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000921493626 888038760 /nfs/dbraw/zinc/03/87/60/888038760.db2.gz SHWVKQYBLOIRPN-OALUTQOASA-N 2 1 362.518 1.369 20 30 FDEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000923328722 888887752 /nfs/dbraw/zinc/88/77/52/888887752.db2.gz NECJVIIUEIXLIQ-YTQUADARSA-N 2 1 356.470 1.172 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000923393582 889106769 /nfs/dbraw/zinc/10/67/69/889106769.db2.gz TWMYSTZBMCSHGC-SOAMZJECSA-N 2 1 359.470 1.659 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000923553252 889758814 /nfs/dbraw/zinc/75/88/14/889758814.db2.gz JDJPMTMBLQYBPO-MRXNPFEDSA-N 2 1 369.469 1.131 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000923553252 889758822 /nfs/dbraw/zinc/75/88/22/889758822.db2.gz JDJPMTMBLQYBPO-MRXNPFEDSA-N 2 1 369.469 1.131 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231752 913778806 /nfs/dbraw/zinc/77/88/06/913778806.db2.gz KLHYNLZZDCVDDR-AYOQOUSVSA-N 2 1 356.445 1.824 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001084349202 914135691 /nfs/dbraw/zinc/13/56/91/914135691.db2.gz BJNQTBHFETUAOP-QHAWAJNXSA-N 2 1 364.493 1.933 20 30 FDEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001083908603 901565889 /nfs/dbraw/zinc/56/58/89/901565889.db2.gz MPTCUANLOGQQAM-UXHICEINSA-N 2 1 370.497 1.340 20 30 FDEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001083908603 901565891 /nfs/dbraw/zinc/56/58/91/901565891.db2.gz MPTCUANLOGQQAM-UXHICEINSA-N 2 1 370.497 1.340 20 30 FDEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142619 901950836 /nfs/dbraw/zinc/95/08/36/901950836.db2.gz LEXGVYDQTILVFS-WOJBJXKFSA-N 2 1 355.482 1.035 20 30 FDEDMP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142619 901950842 /nfs/dbraw/zinc/95/08/42/901950842.db2.gz LEXGVYDQTILVFS-WOJBJXKFSA-N 2 1 355.482 1.035 20 30 FDEDMP C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001079147245 901971958 /nfs/dbraw/zinc/97/19/58/901971958.db2.gz FEPKGINYPHCECB-PWRODBHTSA-N 2 1 369.509 1.568 20 30 FDEDMP C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCCN2CC)C1 ZINC001079147245 901971961 /nfs/dbraw/zinc/97/19/61/901971961.db2.gz FEPKGINYPHCECB-PWRODBHTSA-N 2 1 369.509 1.568 20 30 FDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227102 902238771 /nfs/dbraw/zinc/23/87/71/902238771.db2.gz CFVOYBQQCBGLDL-IPMKNSEASA-N 2 1 361.530 1.986 20 30 FDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243111 902340468 /nfs/dbraw/zinc/34/04/68/902340468.db2.gz LZHHZENQRQWRFQ-INDMIFKZSA-N 2 1 361.530 1.842 20 30 FDEDMP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001107435972 904897600 /nfs/dbraw/zinc/89/76/00/904897600.db2.gz HXGKPLQTZZYIOM-DBXWQHBBSA-N 2 1 370.497 1.771 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001107435972 904897614 /nfs/dbraw/zinc/89/76/14/904897614.db2.gz HXGKPLQTZZYIOM-DBXWQHBBSA-N 2 1 370.497 1.771 20 30 FDEDMP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001107435973 904898184 /nfs/dbraw/zinc/89/81/84/904898184.db2.gz HXGKPLQTZZYIOM-WAOWUJCRSA-N 2 1 370.497 1.771 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCc4[nH+]ccn43)CCC[C@@H]12 ZINC001107435973 904898198 /nfs/dbraw/zinc/89/81/98/904898198.db2.gz HXGKPLQTZZYIOM-WAOWUJCRSA-N 2 1 370.497 1.771 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOC(C)C)CC2 ZINC001107441446 904928245 /nfs/dbraw/zinc/92/82/45/904928245.db2.gz XCXNZGDAIYROIR-QKNQBKEWSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOC(C)C)CC2 ZINC001107441446 904928251 /nfs/dbraw/zinc/92/82/51/904928251.db2.gz XCXNZGDAIYROIR-QKNQBKEWSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOC(C)C)CC2 ZINC001107441446 904928256 /nfs/dbraw/zinc/92/82/56/904928256.db2.gz XCXNZGDAIYROIR-QKNQBKEWSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOC(C)C)CC2 ZINC001107441446 904928259 /nfs/dbraw/zinc/92/82/59/904928259.db2.gz XCXNZGDAIYROIR-QKNQBKEWSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2C)CC1 ZINC001080997605 906971229 /nfs/dbraw/zinc/97/12/29/906971229.db2.gz GPTVWPBWACDBTM-NZSAHSFTSA-N 2 1 361.530 1.583 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1c1ccccc1 ZINC001081146803 907259270 /nfs/dbraw/zinc/25/92/70/907259270.db2.gz PUWBOCDMWHCOPT-AZUAARDMSA-N 2 1 362.477 1.979 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]2OC)CC1 ZINC001082383293 907376054 /nfs/dbraw/zinc/37/60/54/907376054.db2.gz QFVXHSFKLPHOOA-DUXKGJEZSA-N 2 1 369.509 1.908 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)noc2CC)C1 ZINC001082568865 908715006 /nfs/dbraw/zinc/71/50/06/908715006.db2.gz WAWWPCIMCUWADJ-OLMNPRSZSA-N 2 1 358.486 1.580 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)noc2CC)C1 ZINC001082568865 908715014 /nfs/dbraw/zinc/71/50/14/908715014.db2.gz WAWWPCIMCUWADJ-OLMNPRSZSA-N 2 1 358.486 1.580 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(F)ccc3C#N)C2)C1 ZINC001082742237 909943067 /nfs/dbraw/zinc/94/30/67/909943067.db2.gz XOHUJYCLUUBURE-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083140320 912148960 /nfs/dbraw/zinc/14/89/60/912148960.db2.gz YOFZDJUHXWOITL-RBUKOAKNSA-N 2 1 367.453 1.759 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085159493 921883839 /nfs/dbraw/zinc/88/38/39/921883839.db2.gz WSVCEGGIZKOQTD-GUDVDZBRSA-N 2 1 356.470 1.406 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085159493 921883846 /nfs/dbraw/zinc/88/38/46/921883846.db2.gz WSVCEGGIZKOQTD-GUDVDZBRSA-N 2 1 356.470 1.406 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085429238 924642364 /nfs/dbraw/zinc/64/23/64/924642364.db2.gz LFFKHYPBESLUGH-VAMGGRTRSA-N 2 1 370.497 1.796 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085429238 924642374 /nfs/dbraw/zinc/64/23/74/924642374.db2.gz LFFKHYPBESLUGH-VAMGGRTRSA-N 2 1 370.497 1.796 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557825 931549649 /nfs/dbraw/zinc/54/96/49/931549649.db2.gz AENHEUPFKQIXIJ-UWVAXJGDSA-N 2 1 364.534 1.237 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086580654 933279187 /nfs/dbraw/zinc/27/91/87/933279187.db2.gz OEOCDHRMZQXIAY-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086580654 933279192 /nfs/dbraw/zinc/27/91/92/933279192.db2.gz OEOCDHRMZQXIAY-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001086580654 933279200 /nfs/dbraw/zinc/27/92/00/933279200.db2.gz OEOCDHRMZQXIAY-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001086580654 933279207 /nfs/dbraw/zinc/27/92/07/933279207.db2.gz OEOCDHRMZQXIAY-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453835 938421026 /nfs/dbraw/zinc/42/10/26/938421026.db2.gz KZXGOFSDYXVSHH-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129459910 938435907 /nfs/dbraw/zinc/43/59/07/938435907.db2.gz BHXKZENWYKQJIH-SQNIBIBYSA-N 2 1 360.506 1.316 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2c2ccccc2)CC1 ZINC001086625410 938512392 /nfs/dbraw/zinc/51/23/92/938512392.db2.gz YNTRBXXYIFHMLS-LEWJYISDSA-N 2 1 369.509 1.298 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622128 939920767 /nfs/dbraw/zinc/92/07/67/939920767.db2.gz RDGWGQGLUBEHBZ-SXLOBPIMSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130695352 939990067 /nfs/dbraw/zinc/99/00/67/939990067.db2.gz OBZHHZFYJDIBRF-PKOBYXMFSA-N 2 1 368.485 1.313 20 30 FDEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC[NH+](C)C)n[nH]2)O1 ZINC001130804379 940175581 /nfs/dbraw/zinc/17/55/81/940175581.db2.gz FYLWQEDLRBYLGR-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001131512104 940694178 /nfs/dbraw/zinc/69/41/78/940694178.db2.gz NLIWSKQIMGTIOO-AABGKKOBSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC001086720734 941619242 /nfs/dbraw/zinc/61/92/42/941619242.db2.gz LFKVDTPHEGKPEJ-SXLOBPIMSA-N 2 1 354.498 1.862 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2C)C1 ZINC001086720734 941619246 /nfs/dbraw/zinc/61/92/46/941619246.db2.gz LFKVDTPHEGKPEJ-SXLOBPIMSA-N 2 1 354.498 1.862 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000815652799 941933491 /nfs/dbraw/zinc/93/34/91/941933491.db2.gz UDEMMJRAWZNPPN-AZUAARDMSA-N 2 1 373.497 1.957 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000815652799 941933493 /nfs/dbraw/zinc/93/34/93/941933493.db2.gz UDEMMJRAWZNPPN-AZUAARDMSA-N 2 1 373.497 1.957 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cncc(N2CCC([NH3+])CC2)n1 ZINC001171067454 946799879 /nfs/dbraw/zinc/79/98/79/946799879.db2.gz FNTZYZIHBRDFKE-HNNXBMFYSA-N 2 1 362.478 1.043 20 30 FDEDMP C#Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc1 ZINC001144572444 949954227 /nfs/dbraw/zinc/95/42/27/949954227.db2.gz ZEPVVLCHQIUFGW-UHFFFAOYSA-N 2 1 369.509 1.671 20 30 FDEDMP C#Cc1ccc(C[NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc1 ZINC001144572444 949954229 /nfs/dbraw/zinc/95/42/29/949954229.db2.gz ZEPVVLCHQIUFGW-UHFFFAOYSA-N 2 1 369.509 1.671 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115039 951146468 /nfs/dbraw/zinc/14/64/68/951146468.db2.gz MRQRWNQBWANXHP-SQNIBIBYSA-N 2 1 362.518 1.276 20 30 FDEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110115039 951146479 /nfs/dbraw/zinc/14/64/79/951146479.db2.gz MRQRWNQBWANXHP-SQNIBIBYSA-N 2 1 362.518 1.276 20 30 FDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735090 952754315 /nfs/dbraw/zinc/75/43/15/952754315.db2.gz IXSYZPDEUUWWLC-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735090 952754319 /nfs/dbraw/zinc/75/43/19/952754319.db2.gz IXSYZPDEUUWWLC-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735090 952754320 /nfs/dbraw/zinc/75/43/20/952754320.db2.gz IXSYZPDEUUWWLC-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091749756 952788940 /nfs/dbraw/zinc/78/89/40/952788940.db2.gz PEXOHUQFFGZLML-VYDXJSESSA-N 2 1 357.420 1.817 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091749756 952788942 /nfs/dbraw/zinc/78/89/42/952788942.db2.gz PEXOHUQFFGZLML-VYDXJSESSA-N 2 1 357.420 1.817 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091749756 952788943 /nfs/dbraw/zinc/78/89/43/952788943.db2.gz PEXOHUQFFGZLML-VYDXJSESSA-N 2 1 357.420 1.817 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCC(F)(F)F)C[C@@]2(C)C1 ZINC001091749756 952788946 /nfs/dbraw/zinc/78/89/46/952788946.db2.gz PEXOHUQFFGZLML-VYDXJSESSA-N 2 1 357.420 1.817 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001086874536 952924679 /nfs/dbraw/zinc/92/46/79/952924679.db2.gz HWZRNAKQTRHCLS-YQVWRLOYSA-N 2 1 370.497 1.893 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1cnn(C)c1 ZINC001086993801 953028174 /nfs/dbraw/zinc/02/81/74/953028174.db2.gz SDPQHGQMYRXKID-AYOQOUSVSA-N 2 1 368.485 1.258 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000472 953049950 /nfs/dbraw/zinc/04/99/50/953049950.db2.gz XRXDARLAKGBRGJ-DLBZAZTESA-N 2 1 356.474 1.510 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1 ZINC001092273851 954658263 /nfs/dbraw/zinc/65/82/63/954658263.db2.gz UHGGKURJEYRXPS-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1 ZINC001092273851 954658273 /nfs/dbraw/zinc/65/82/73/954658273.db2.gz UHGGKURJEYRXPS-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1 ZINC001092273851 954658280 /nfs/dbraw/zinc/65/82/80/954658280.db2.gz UHGGKURJEYRXPS-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1 ZINC001092273851 954658288 /nfs/dbraw/zinc/65/82/88/954658288.db2.gz UHGGKURJEYRXPS-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)C1 ZINC001092273964 954659990 /nfs/dbraw/zinc/65/99/90/954659990.db2.gz YDZPSRROIXDVMT-OPYAIIAOSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)C1 ZINC001092273964 954659997 /nfs/dbraw/zinc/65/99/97/954659997.db2.gz YDZPSRROIXDVMT-OPYAIIAOSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)C1 ZINC001092273964 954660005 /nfs/dbraw/zinc/66/00/05/954660005.db2.gz YDZPSRROIXDVMT-OPYAIIAOSA-N 2 1 370.472 1.929 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133043 957617881 /nfs/dbraw/zinc/61/78/81/957617881.db2.gz MRHCUQLBMLJMGG-CRAIPNDOSA-N 2 1 370.472 1.977 20 30 FDEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001093373104 958015828 /nfs/dbraw/zinc/01/58/28/958015828.db2.gz KASNBWRRKODLPJ-BHIYHBOVSA-N 2 1 359.514 1.432 20 30 FDEDMP C#CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001093373104 958015841 /nfs/dbraw/zinc/01/58/41/958015841.db2.gz KASNBWRRKODLPJ-BHIYHBOVSA-N 2 1 359.514 1.432 20 30 FDEDMP C#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093373104 958015855 /nfs/dbraw/zinc/01/58/55/958015855.db2.gz KASNBWRRKODLPJ-BHIYHBOVSA-N 2 1 359.514 1.432 20 30 FDEDMP C#CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093373104 958015870 /nfs/dbraw/zinc/01/58/70/958015870.db2.gz KASNBWRRKODLPJ-BHIYHBOVSA-N 2 1 359.514 1.432 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001093672828 958514458 /nfs/dbraw/zinc/51/44/58/958514458.db2.gz FTKXSGSECYGSJQ-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(CC)n2)[C@H](C)C1 ZINC001093832797 958925976 /nfs/dbraw/zinc/92/59/76/958925976.db2.gz ABJZTQQWGHYYNA-LMMKCTJWSA-N 2 1 357.502 1.185 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(CC)n2)[C@H](C)C1 ZINC001093832797 958925977 /nfs/dbraw/zinc/92/59/77/958925977.db2.gz ABJZTQQWGHYYNA-LMMKCTJWSA-N 2 1 357.502 1.185 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CO)cc2)[C@H](C)C1 ZINC001093832915 958926011 /nfs/dbraw/zinc/92/60/11/958926011.db2.gz HOLLVXNUEWMBQB-UIFIKXQLSA-N 2 1 369.509 1.461 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(CO)cc2)[C@H](C)C1 ZINC001093832915 958926014 /nfs/dbraw/zinc/92/60/14/958926014.db2.gz HOLLVXNUEWMBQB-UIFIKXQLSA-N 2 1 369.509 1.461 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)n(C)n2)[C@H](C)C1 ZINC001093832971 958927283 /nfs/dbraw/zinc/92/72/83/958927283.db2.gz LIJOXCISWRZPDY-SUMDDJOVSA-N 2 1 357.502 1.010 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)n(C)n2)[C@H](C)C1 ZINC001093832971 958927289 /nfs/dbraw/zinc/92/72/89/958927289.db2.gz LIJOXCISWRZPDY-SUMDDJOVSA-N 2 1 357.502 1.010 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC001093833136 958928433 /nfs/dbraw/zinc/92/84/33/958928433.db2.gz UERQXTSMTVIFQP-OIISXLGYSA-N 2 1 353.457 1.813 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC001093833136 958928437 /nfs/dbraw/zinc/92/84/37/958928437.db2.gz UERQXTSMTVIFQP-OIISXLGYSA-N 2 1 353.457 1.813 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)c2)[C@H](C)C1 ZINC001093833120 958928594 /nfs/dbraw/zinc/92/85/94/958928594.db2.gz SMJFINVOIXVAJL-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)c2)[C@H](C)C1 ZINC001093833120 958928600 /nfs/dbraw/zinc/92/86/00/958928600.db2.gz SMJFINVOIXVAJL-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474005 960643530 /nfs/dbraw/zinc/64/35/30/960643530.db2.gz FYVKKURYHNQALN-LONDADKYSA-N 2 1 357.498 1.234 20 30 FDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474005 960643539 /nfs/dbraw/zinc/64/35/39/960643539.db2.gz FYVKKURYHNQALN-LONDADKYSA-N 2 1 357.498 1.234 20 30 FDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474005 960643548 /nfs/dbraw/zinc/64/35/48/960643548.db2.gz FYVKKURYHNQALN-LONDADKYSA-N 2 1 357.498 1.234 20 30 FDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001183043365 962756931 /nfs/dbraw/zinc/75/69/31/962756931.db2.gz RHWSSDIWJZGSJG-TZIWHRDSSA-N 2 1 361.530 1.845 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190929 963324941 /nfs/dbraw/zinc/32/49/41/963324941.db2.gz YSQFSCRBEWTULR-RDGPPVDQSA-N 2 1 374.529 1.112 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190929 963324948 /nfs/dbraw/zinc/32/49/48/963324948.db2.gz YSQFSCRBEWTULR-RDGPPVDQSA-N 2 1 374.529 1.112 20 30 FDEDMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001185266684 963890939 /nfs/dbraw/zinc/89/09/39/963890939.db2.gz CZMMZPPEDXWVPP-VAMGGRTRSA-N 2 1 369.513 1.403 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664293 966467484 /nfs/dbraw/zinc/46/74/84/966467484.db2.gz KMMIJERCICEVGV-AZUAARDMSA-N 2 1 361.530 1.824 20 30 FDEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664293 966467494 /nfs/dbraw/zinc/46/74/94/966467494.db2.gz KMMIJERCICEVGV-AZUAARDMSA-N 2 1 361.530 1.824 20 30 FDEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)C3CCCCC3)[C@@H]2C1 ZINC001188664293 966467500 /nfs/dbraw/zinc/46/75/00/966467500.db2.gz KMMIJERCICEVGV-AZUAARDMSA-N 2 1 361.530 1.824 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188947982 966663215 /nfs/dbraw/zinc/66/32/15/966663215.db2.gz APWNTYRRAXMESE-YQVWRLOYSA-N 2 1 358.486 1.489 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188947982 966663220 /nfs/dbraw/zinc/66/32/20/966663220.db2.gz APWNTYRRAXMESE-YQVWRLOYSA-N 2 1 358.486 1.489 20 30 FDEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)CC1 ZINC001188963141 966676470 /nfs/dbraw/zinc/67/64/70/966676470.db2.gz KMDZTEDIPCBKQN-WMLDXEAASA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)CC1 ZINC001188963141 966676477 /nfs/dbraw/zinc/67/64/77/966676477.db2.gz KMDZTEDIPCBKQN-WMLDXEAASA-N 2 1 358.511 1.994 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000852358670 967250678 /nfs/dbraw/zinc/25/06/78/967250678.db2.gz XZULXODNCJBCDK-UHFFFAOYSA-N 2 1 350.507 1.132 20 30 FDEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001190351299 967773191 /nfs/dbraw/zinc/77/31/91/967773191.db2.gz UURJQLZDJPNSGD-AZUAARDMSA-N 2 1 370.497 1.962 20 30 FDEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001190351299 967773198 /nfs/dbraw/zinc/77/31/98/967773198.db2.gz UURJQLZDJPNSGD-AZUAARDMSA-N 2 1 370.497 1.962 20 30 FDEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001190351299 967773205 /nfs/dbraw/zinc/77/32/05/967773205.db2.gz UURJQLZDJPNSGD-AZUAARDMSA-N 2 1 370.497 1.962 20 30 FDEDMP C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191468837 968524264 /nfs/dbraw/zinc/52/42/64/968524264.db2.gz PRLCRYTVNXFSHX-OTWHNJEPSA-N 2 1 365.518 1.365 20 30 FDEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193892469 969911577 /nfs/dbraw/zinc/91/15/77/969911577.db2.gz OVQDWLDFMHBICU-IPMKNSEASA-N 2 1 356.470 1.094 20 30 FDEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193892469 969911579 /nfs/dbraw/zinc/91/15/79/969911579.db2.gz OVQDWLDFMHBICU-IPMKNSEASA-N 2 1 356.470 1.094 20 30 FDEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193892469 969911584 /nfs/dbraw/zinc/91/15/84/969911584.db2.gz OVQDWLDFMHBICU-IPMKNSEASA-N 2 1 356.470 1.094 20 30 FDEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193892469 969911587 /nfs/dbraw/zinc/91/15/87/969911587.db2.gz OVQDWLDFMHBICU-IPMKNSEASA-N 2 1 356.470 1.094 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555977 974823482 /nfs/dbraw/zinc/82/34/82/974823482.db2.gz VKCCHWKFIFYUPD-FGTMMUONSA-N 2 1 353.507 1.126 20 30 FDEDMP CC(C)(C)OC(=O)N1CCN2C(NCC[N@H+]3CCCC3(C)C)=[NH+]C[C@H]2C1 ZINC000849117182 977329683 /nfs/dbraw/zinc/32/96/83/977329683.db2.gz VHSBZTCKABBYNF-HNNXBMFYSA-N 2 1 365.522 1.741 20 30 FDEDMP CC(C)(C)OC(=O)N1CCN2C(NCC[N@H+]3CCCC3(C)C)=[NH+]C[C@@H]2C1 ZINC000849117183 977329867 /nfs/dbraw/zinc/32/98/67/977329867.db2.gz VHSBZTCKABBYNF-OAHLLOKOSA-N 2 1 365.522 1.741 20 30 FDEDMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@@H](C)O1 ZINC000884201663 982977152 /nfs/dbraw/zinc/97/71/52/982977152.db2.gz DSGVGMMOWXRZCQ-FCRHOULQSA-N 2 1 360.502 1.226 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000293342797 988041720 /nfs/dbraw/zinc/04/17/20/988041720.db2.gz KIBGITUTVKJXQD-UHFFFAOYSA-N 2 1 358.486 1.538 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000876781570 992908065 /nfs/dbraw/zinc/90/80/65/992908065.db2.gz OWGUOBANEFTRJP-QGZVFWFLSA-N 2 1 350.894 1.520 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000876872624 992943364 /nfs/dbraw/zinc/94/33/64/992943364.db2.gz IMFPZBURRCPPLW-KRWDZBQOSA-N 2 1 366.893 1.602 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000876976307 992993105 /nfs/dbraw/zinc/99/31/05/992993105.db2.gz NRBROOZBNXLIFV-IRXDYDNUSA-N 2 1 350.894 1.389 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000876976307 992993111 /nfs/dbraw/zinc/99/31/11/992993111.db2.gz NRBROOZBNXLIFV-IRXDYDNUSA-N 2 1 350.894 1.389 20 30 FDEDMP C#CCN1C(=O)C[C@@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000887305886 997137554 /nfs/dbraw/zinc/13/75/54/997137554.db2.gz CGUWLWAAJGYJJJ-IPMKNSEASA-N 2 1 351.450 1.201 20 30 FDEDMP C#CCN1C(=O)C[C@@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000887305886 997137558 /nfs/dbraw/zinc/13/75/58/997137558.db2.gz CGUWLWAAJGYJJJ-IPMKNSEASA-N 2 1 351.450 1.201 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073542 997394950 /nfs/dbraw/zinc/39/49/50/997394950.db2.gz DVKTZIBTUVAQIP-WMZOPIPTSA-N 2 1 359.518 1.910 20 30 FDEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000264073898 997395050 /nfs/dbraw/zinc/39/50/50/997395050.db2.gz FDZVXRUOISBBIV-UHFFFAOYSA-N 2 1 373.379 1.476 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000264073012 997395415 /nfs/dbraw/zinc/39/54/15/997395415.db2.gz DRJMSHRBRZPZJL-RBUKOAKNSA-N 2 1 360.502 1.781 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000890371472 998917868 /nfs/dbraw/zinc/91/78/68/998917868.db2.gz WBUJOVIUSFCAIU-PZJWPPBQSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000890371472 998917869 /nfs/dbraw/zinc/91/78/69/998917869.db2.gz WBUJOVIUSFCAIU-PZJWPPBQSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000890371472 998917871 /nfs/dbraw/zinc/91/78/71/998917871.db2.gz WBUJOVIUSFCAIU-PZJWPPBQSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000890371472 998917874 /nfs/dbraw/zinc/91/78/74/998917874.db2.gz WBUJOVIUSFCAIU-PZJWPPBQSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000890376661 998920674 /nfs/dbraw/zinc/92/06/74/998920674.db2.gz IUJJFQHGIDNPCF-KRWDZBQOSA-N 2 1 355.486 1.658 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000890376661 998920677 /nfs/dbraw/zinc/92/06/77/998920677.db2.gz IUJJFQHGIDNPCF-KRWDZBQOSA-N 2 1 355.486 1.658 20 30 FDEDMP Cc1cc(C)n(-c2ccccc2CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000268439859 999438964 /nfs/dbraw/zinc/43/89/64/999438964.db2.gz LOGJDZBRZGPVCD-UHFFFAOYSA-N 2 1 370.501 1.616 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981485 1002770600 /nfs/dbraw/zinc/77/06/00/1002770600.db2.gz RYDONMVQMSOFCC-ZACQAIPSSA-N 2 1 350.507 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110981485 1002770612 /nfs/dbraw/zinc/77/06/12/1002770612.db2.gz RYDONMVQMSOFCC-ZACQAIPSSA-N 2 1 350.507 1.084 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000303697471 1009522848 /nfs/dbraw/zinc/52/28/48/1009522848.db2.gz FSAHHZOAKSFZRG-UHFFFAOYSA-N 3 1 365.566 1.802 20 30 FDEDMP CCOCCCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000303882391 1009670420 /nfs/dbraw/zinc/67/04/20/1009670420.db2.gz HZTLHPHEUGAYAG-LJQANCHMSA-N 2 1 361.534 1.696 20 30 FDEDMP CCOCCCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000303882391 1009670427 /nfs/dbraw/zinc/67/04/27/1009670427.db2.gz HZTLHPHEUGAYAG-LJQANCHMSA-N 2 1 361.534 1.696 20 30 FDEDMP CCOCCCNC(=[NH2+])NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000303904856 1009687251 /nfs/dbraw/zinc/68/72/51/1009687251.db2.gz VEJWVHPICVHOHB-UHFFFAOYSA-N 2 1 361.534 1.655 20 30 FDEDMP C[C@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000304765851 1010489454 /nfs/dbraw/zinc/48/94/54/1010489454.db2.gz ZVRXSMPAECHQFX-QFBILLFUSA-N 2 1 371.529 1.931 20 30 FDEDMP C[N@H+]1CCC[C@]2(CCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512723 539764570 /nfs/dbraw/zinc/76/45/70/539764570.db2.gz MXJHKOAHMCCNNN-NRFANRHFSA-N 2 1 351.450 1.704 20 30 FDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000297249856 184250088 /nfs/dbraw/zinc/25/00/88/184250088.db2.gz IGPUZIBJCPFYAE-UHFFFAOYSA-N 2 1 373.501 1.354 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000333467882 259350932 /nfs/dbraw/zinc/35/09/32/259350932.db2.gz AKRZYZWDYRAIAE-LJQANCHMSA-N 2 1 355.486 1.918 20 30 FDEDMP C[C@@H](CCNC(=[NH2+])NCCCN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000083052660 524234363 /nfs/dbraw/zinc/23/43/63/524234363.db2.gz IWDZFOGFEOSMKH-SFHVURJKSA-N 2 1 361.534 1.524 20 30 FDEDMP C[C@@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000083052660 524234369 /nfs/dbraw/zinc/23/43/69/524234369.db2.gz IWDZFOGFEOSMKH-SFHVURJKSA-N 3 1 361.534 1.524 20 30 FDEDMP C[C@@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000083052660 524234379 /nfs/dbraw/zinc/23/43/79/524234379.db2.gz IWDZFOGFEOSMKH-SFHVURJKSA-N 3 1 361.534 1.524 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000174884563 524778741 /nfs/dbraw/zinc/77/87/41/524778741.db2.gz VXZHFUWPBSZKFM-UHFFFAOYSA-N 2 1 355.486 1.524 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1OC ZINC000104179061 525398248 /nfs/dbraw/zinc/39/82/48/525398248.db2.gz KABFWHIHYODNHV-HNNXBMFYSA-N 2 1 364.490 1.644 20 30 FDEDMP C[NH+]=C(NCc1cccc2c1OCO2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179080021 525529893 /nfs/dbraw/zinc/52/98/93/525529893.db2.gz UEPWCYCIXCHROF-OAHLLOKOSA-N 2 1 360.458 1.145 20 30 FDEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171932595 526184601 /nfs/dbraw/zinc/18/46/01/526184601.db2.gz NAVWZEWEJUZXSQ-HXUWFJFHSA-N 2 1 369.513 1.989 20 30 FDEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171932595 526184606 /nfs/dbraw/zinc/18/46/06/526184606.db2.gz NAVWZEWEJUZXSQ-HXUWFJFHSA-N 2 1 369.513 1.989 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cnn(Cc2ccccc2)c1 ZINC000264104416 537137669 /nfs/dbraw/zinc/13/76/69/537137669.db2.gz PCCYRKYCJURXDP-UHFFFAOYSA-N 2 1 356.474 1.058 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000249419215 537235395 /nfs/dbraw/zinc/23/53/95/537235395.db2.gz HGIGHLQTVVBQKK-IEZWGBDMSA-N 2 1 350.507 1.521 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000249419215 537235397 /nfs/dbraw/zinc/23/53/97/537235397.db2.gz HGIGHLQTVVBQKK-IEZWGBDMSA-N 2 1 350.507 1.521 20 30 FDEDMP CCOCCCNC(=[NH2+])NCC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000304756579 537598528 /nfs/dbraw/zinc/59/85/28/537598528.db2.gz NVFSSOQWOXPDBD-UHFFFAOYSA-N 2 1 353.536 1.994 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000472281026 538615228 /nfs/dbraw/zinc/61/52/28/538615228.db2.gz WHDUHTLWFJAYLM-LJQANCHMSA-N 2 1 358.486 1.607 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000472281026 538615237 /nfs/dbraw/zinc/61/52/37/538615237.db2.gz WHDUHTLWFJAYLM-LJQANCHMSA-N 2 1 358.486 1.607 20 30 FDEDMP CN(CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C ZINC000561788333 545953238 /nfs/dbraw/zinc/95/32/38/545953238.db2.gz XIFCNLCHODJZJO-HXUWFJFHSA-N 2 1 371.529 1.869 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000566117057 547612849 /nfs/dbraw/zinc/61/28/49/547612849.db2.gz RUUCQFHKKLSWOK-NUJGCVRESA-N 2 1 350.532 1.927 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000566117057 547612855 /nfs/dbraw/zinc/61/28/55/547612855.db2.gz RUUCQFHKKLSWOK-NUJGCVRESA-N 2 1 350.532 1.927 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000576628444 550569457 /nfs/dbraw/zinc/56/94/57/550569457.db2.gz YTYVBNBGAJTIKT-GOSISDBHSA-N 2 1 372.469 1.494 20 30 FDEDMP CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000592168002 551952737 /nfs/dbraw/zinc/95/27/37/551952737.db2.gz SAGKFZYHGCTTGJ-ZWKOTPCHSA-N 2 1 371.485 1.812 20 30 FDEDMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438806 552310680 /nfs/dbraw/zinc/31/06/80/552310680.db2.gz LVCBWOAERKLEAN-MJGOQNOKSA-N 2 1 357.502 1.725 20 30 FDEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594440489 552311148 /nfs/dbraw/zinc/31/11/48/552311148.db2.gz DJLQBMMAGBZHEP-SFHVURJKSA-N 2 1 371.485 1.102 20 30 FDEDMP CN(CC[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1)C1CC[NH+](C)CC1 ZINC000599336701 553031054 /nfs/dbraw/zinc/03/10/54/553031054.db2.gz MWXLTILLPCNAJJ-GOSISDBHSA-N 2 1 352.523 1.016 20 30 FDEDMP C[C@H]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599942225 553180432 /nfs/dbraw/zinc/18/04/32/553180432.db2.gz XJSHCLTZAWDTRI-QFBILLFUSA-N 2 1 355.486 1.916 20 30 FDEDMP CC[NH+]=C(NCC1CCSCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000086916871 671484325 /nfs/dbraw/zinc/48/43/25/671484325.db2.gz CGTVKZHWLBNRSA-QGZVFWFLSA-N 2 1 354.564 1.749 20 30 FDEDMP CCC(CC)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000104160605 671594682 /nfs/dbraw/zinc/59/46/82/671594682.db2.gz LLGIFNUMVAWEHO-GOSISDBHSA-N 3 1 353.555 1.514 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000152559897 671885009 /nfs/dbraw/zinc/88/50/09/671885009.db2.gz JKSAFQHJXHUOJQ-KURKYZTESA-N 2 1 352.523 1.703 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000152559897 671885012 /nfs/dbraw/zinc/88/50/12/671885012.db2.gz JKSAFQHJXHUOJQ-KURKYZTESA-N 2 1 352.523 1.703 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179087794 672154730 /nfs/dbraw/zinc/15/47/30/672154730.db2.gz RTONAEFGOPLSLL-NXOAAHMSSA-N 2 1 350.507 1.029 20 30 FDEDMP C=C(Br)CNC(=[NH+]CC)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179084370 672154760 /nfs/dbraw/zinc/15/47/60/672154760.db2.gz XZRXEEKRVKDBIY-CQSZACIVSA-N 2 1 359.312 1.515 20 30 FDEDMP C=C(Br)CNC(=[NH+]CC)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179084358 672154796 /nfs/dbraw/zinc/15/47/96/672154796.db2.gz XZRXEEKRVKDBIY-AWEZNQCLSA-N 2 1 359.312 1.515 20 30 FDEDMP C[NH+]=C(NCc1nncn1C)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000262299226 672764979 /nfs/dbraw/zinc/76/49/79/672764979.db2.gz ABHZXAXKMXGOPB-XJKSGUPXSA-N 2 1 361.519 1.625 20 30 FDEDMP CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262441872 672790189 /nfs/dbraw/zinc/79/01/89/672790189.db2.gz UTEBBCQKCJYZHP-XYTVBORESA-N 2 1 370.563 1.382 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@]2(CCCOC2)C1 ZINC000262830802 672852011 /nfs/dbraw/zinc/85/20/11/672852011.db2.gz ZWPQGHCEVOMCLG-ZWKOTPCHSA-N 2 1 354.564 1.892 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCC[C@@]2(CCCOC2)C1 ZINC000262830800 672852106 /nfs/dbraw/zinc/85/21/06/672852106.db2.gz ZWPQGHCEVOMCLG-QZTJIDSGSA-N 2 1 354.564 1.892 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OCC(F)(F)F)c1 ZINC000303872672 676543318 /nfs/dbraw/zinc/54/33/18/676543318.db2.gz CEFGFQYBZXAKOI-CYBMUJFWSA-N 2 1 359.396 1.911 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000303909323 676544001 /nfs/dbraw/zinc/54/40/01/676544001.db2.gz YCQSBHCIXCFQRP-CABCVRRESA-N 2 1 353.511 1.632 20 30 FDEDMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000331116250 676717285 /nfs/dbraw/zinc/71/72/85/676717285.db2.gz MDURCECJSSYXED-BBWFWOEESA-N 2 1 354.539 1.655 20 30 FDEDMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000331116250 676717287 /nfs/dbraw/zinc/71/72/87/676717287.db2.gz MDURCECJSSYXED-BBWFWOEESA-N 2 1 354.539 1.655 20 30 FDEDMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC([N@@H+](C)CCO)CC1 ZINC000331116250 676717288 /nfs/dbraw/zinc/71/72/88/676717288.db2.gz MDURCECJSSYXED-BBWFWOEESA-N 2 1 354.539 1.655 20 30 FDEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000424105054 680830057 /nfs/dbraw/zinc/83/00/57/680830057.db2.gz ISRQFKBXCMCYIO-CYBMUJFWSA-N 2 1 350.385 1.121 20 30 FDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000472288936 685193159 /nfs/dbraw/zinc/19/31/59/685193159.db2.gz WTFQXHZPBOEREK-KRWDZBQOSA-N 2 1 350.507 1.762 20 30 FDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000472288936 685193165 /nfs/dbraw/zinc/19/31/65/685193165.db2.gz WTFQXHZPBOEREK-KRWDZBQOSA-N 2 1 350.507 1.762 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnns2)C1 ZINC001104305971 774436707 /nfs/dbraw/zinc/43/67/07/774436707.db2.gz CQKDGKTYDVZBHZ-INMHGKMJSA-N 2 1 361.515 1.210 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnns2)C1 ZINC001104305971 774436711 /nfs/dbraw/zinc/43/67/11/774436711.db2.gz CQKDGKTYDVZBHZ-INMHGKMJSA-N 2 1 361.515 1.210 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccn2C)C1 ZINC001104306056 774438615 /nfs/dbraw/zinc/43/86/15/774438615.db2.gz ITBDUGWFKQYPSB-KURKYZTESA-N 2 1 357.502 1.092 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656311084 774897780 /nfs/dbraw/zinc/89/77/80/774897780.db2.gz IWBOLPZLOSNLBR-QZTJIDSGSA-N 2 1 362.518 1.276 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001026852853 800007088 /nfs/dbraw/zinc/00/70/88/800007088.db2.gz RFKDLLQRDGCQFL-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC001026853929 800030757 /nfs/dbraw/zinc/03/07/57/800030757.db2.gz VXLUCESZDWCZNU-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C=CC[C@@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662817816 803478918 /nfs/dbraw/zinc/47/89/18/803478918.db2.gz XBDJECHXANGBIQ-NRFANRHFSA-N 2 1 356.514 1.794 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C)C(C)C ZINC000419425893 811935284 /nfs/dbraw/zinc/93/52/84/811935284.db2.gz QFRPQMLLNXNJAH-IPMKNSEASA-N 2 1 366.550 1.782 20 30 FDEDMP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261957611 817672831 /nfs/dbraw/zinc/67/28/31/817672831.db2.gz JEPMQMZFLJTSIW-LISAXSMJSA-N 2 1 365.566 1.522 20 30 FDEDMP N#CCC[C@H](C#N)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000519697871 819007365 /nfs/dbraw/zinc/00/73/65/819007365.db2.gz JKWAXYLXQBUMCB-GOSISDBHSA-N 2 1 353.470 1.917 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166488 821775055 /nfs/dbraw/zinc/77/50/55/821775055.db2.gz WGUBUCMBGWGVBP-RRFJBIMHSA-N 2 1 361.408 1.099 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112166488 821775062 /nfs/dbraw/zinc/77/50/62/821775062.db2.gz WGUBUCMBGWGVBP-RRFJBIMHSA-N 2 1 361.408 1.099 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2CC)C1=O ZINC001087711861 822164200 /nfs/dbraw/zinc/16/42/00/822164200.db2.gz BFHRVONDYLUHCW-KSZLIROESA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136188 826601669 /nfs/dbraw/zinc/60/16/69/826601669.db2.gz ZSBDWVATMWAMQT-MJGOQNOKSA-N 2 1 359.518 1.805 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)C1 ZINC001088199845 827432738 /nfs/dbraw/zinc/43/27/38/827432738.db2.gz FDCBHGZKCFXBHS-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)C1 ZINC001088199845 827432744 /nfs/dbraw/zinc/43/27/44/827432744.db2.gz FDCBHGZKCFXBHS-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C#N)ccc4F)CC[C@@H]3C2)C1 ZINC001088199845 827432754 /nfs/dbraw/zinc/43/27/54/827432754.db2.gz FDCBHGZKCFXBHS-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000729592916 830135212 /nfs/dbraw/zinc/13/52/12/830135212.db2.gz NXKOUWOLLOBFLO-GUDVDZBRSA-N 2 1 364.534 1.847 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)C(C)C ZINC000480513447 845374707 /nfs/dbraw/zinc/37/47/07/845374707.db2.gz CXUAOSUQKYDNQN-GBESFXJTSA-N 2 1 366.550 1.782 20 30 FDEDMP C=C(CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000898986331 845579787 /nfs/dbraw/zinc/57/97/87/845579787.db2.gz ABKRXNBFBNYSNX-HZPDHXFCSA-N 2 1 364.534 1.521 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cncc(C)c4)C[C@H]32)CC1 ZINC001076604419 848552598 /nfs/dbraw/zinc/55/25/98/848552598.db2.gz DUAOMQJSAMJHKB-LEWJYISDSA-N 2 1 366.509 1.768 20 30 FDEDMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000911922321 859110902 /nfs/dbraw/zinc/11/09/02/859110902.db2.gz XCBNRPNSNRVLHN-AZUAARDMSA-N 2 1 356.470 1.094 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CCC)CC1 ZINC000669036787 860881251 /nfs/dbraw/zinc/88/12/51/860881251.db2.gz YTUYNXSNDYIHRW-SJORKVTESA-N 2 1 360.506 1.532 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)ccn3)[C@@H]2C)CC1 ZINC001089060046 866391100 /nfs/dbraw/zinc/39/11/00/866391100.db2.gz POWWVDNOHMBBEY-UZLBHIALSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)ccn3)[C@@H]2C)CC1 ZINC001089060046 866391107 /nfs/dbraw/zinc/39/11/07/866391107.db2.gz POWWVDNOHMBBEY-UZLBHIALSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000914192957 871745502 /nfs/dbraw/zinc/74/55/02/871745502.db2.gz MQWHDMCKKDTHQV-HNNXBMFYSA-N 2 1 360.527 1.892 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000914192957 871745512 /nfs/dbraw/zinc/74/55/12/871745512.db2.gz MQWHDMCKKDTHQV-HNNXBMFYSA-N 2 1 360.527 1.892 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106245857 874101377 /nfs/dbraw/zinc/10/13/77/874101377.db2.gz FMJNGDOFCQJICA-BMFZPTHFSA-N 2 1 353.898 1.250 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000922878853 879596771 /nfs/dbraw/zinc/59/67/71/879596771.db2.gz YKRBOPDKAHFHRK-HKUYNNGSSA-N 2 1 355.486 1.471 20 30 FDEDMP C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034209915 883934994 /nfs/dbraw/zinc/93/49/94/883934994.db2.gz LLXPPSCADODKJQ-AQNXPRMDSA-N 2 1 361.530 1.727 20 30 FDEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000923328712 888887703 /nfs/dbraw/zinc/88/77/03/888887703.db2.gz NECJVIIUEIXLIQ-BHIYHBOVSA-N 2 1 356.470 1.172 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106907445 889052938 /nfs/dbraw/zinc/05/29/38/889052938.db2.gz LSVPFHINDWEGAS-IXDOHACOSA-N 2 1 352.523 1.093 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2O)CC1 ZINC001084090183 913371064 /nfs/dbraw/zinc/37/10/64/913371064.db2.gz OEIUVBHYDZMCIB-UXHICEINSA-N 2 1 361.530 1.463 20 30 FDEDMP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)c1 ZINC001127701650 893796201 /nfs/dbraw/zinc/79/62/01/893796201.db2.gz TXOCJXJWMMFGMY-ZWKOTPCHSA-N 2 1 356.470 1.043 20 30 FDEDMP CC#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107554 896967229 /nfs/dbraw/zinc/96/72/29/896967229.db2.gz UHTVXZHQVJOUOS-BHIYHBOVSA-N 2 1 369.513 1.230 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436723 897837406 /nfs/dbraw/zinc/83/74/06/897837406.db2.gz GZYGEZJNOLZZMQ-QRVBRYPASA-N 2 1 358.486 1.460 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212436723 897837410 /nfs/dbraw/zinc/83/74/10/897837410.db2.gz GZYGEZJNOLZZMQ-QRVBRYPASA-N 2 1 358.486 1.460 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)C[C@H]2O)CC1 ZINC001078228315 898432669 /nfs/dbraw/zinc/43/26/69/898432669.db2.gz LTOHTRPCBSTKIY-WOJBJXKFSA-N 2 1 361.530 1.463 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107075153 900529438 /nfs/dbraw/zinc/52/94/38/900529438.db2.gz RTRQRDMZPWNSKD-UYAOXDASSA-N 2 1 357.498 1.452 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107075153 900529450 /nfs/dbraw/zinc/52/94/50/900529450.db2.gz RTRQRDMZPWNSKD-UYAOXDASSA-N 2 1 357.498 1.452 20 30 FDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079146991 901970503 /nfs/dbraw/zinc/97/05/03/901970503.db2.gz RAIGVYQHHXLKPI-VAMGGRTRSA-N 2 1 357.498 1.588 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[C@H]1c1ccc(F)cc1 ZINC001079149699 901980599 /nfs/dbraw/zinc/98/05/99/901980599.db2.gz GHFPWPBXNJJSTH-IPMKNSEASA-N 2 1 359.445 1.064 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[C@H]1c1ccc(F)cc1 ZINC001079149699 901980608 /nfs/dbraw/zinc/98/06/08/901980608.db2.gz GHFPWPBXNJJSTH-IPMKNSEASA-N 2 1 359.445 1.064 20 30 FDEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079135908 902003280 /nfs/dbraw/zinc/00/32/80/902003280.db2.gz ULXXFFUGQKCUJC-DOIPELPJSA-N 2 1 369.509 1.424 20 30 FDEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079135908 902003288 /nfs/dbraw/zinc/00/32/88/902003288.db2.gz ULXXFFUGQKCUJC-DOIPELPJSA-N 2 1 369.509 1.424 20 30 FDEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001079135908 902003299 /nfs/dbraw/zinc/00/32/99/902003299.db2.gz ULXXFFUGQKCUJC-DOIPELPJSA-N 2 1 369.509 1.424 20 30 FDEDMP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001079135908 902003304 /nfs/dbraw/zinc/00/33/04/902003304.db2.gz ULXXFFUGQKCUJC-DOIPELPJSA-N 2 1 369.509 1.424 20 30 FDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240739 902190522 /nfs/dbraw/zinc/19/05/22/902190522.db2.gz ARKSXXLCQNZEFM-GBESFXJTSA-N 2 1 361.530 1.985 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001079289108 902387258 /nfs/dbraw/zinc/38/72/58/902387258.db2.gz PMXBGXWEMSSNDQ-UHOSZYNNSA-N 2 1 361.461 1.616 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001079289108 902387264 /nfs/dbraw/zinc/38/72/64/902387264.db2.gz PMXBGXWEMSSNDQ-UHOSZYNNSA-N 2 1 361.461 1.616 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)O1 ZINC000995958595 902788150 /nfs/dbraw/zinc/78/81/50/902788150.db2.gz NKNJCQOZWHUDEO-LZQZEXGQSA-N 2 1 370.497 1.604 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)O1 ZINC000995958595 902788163 /nfs/dbraw/zinc/78/81/63/902788163.db2.gz NKNJCQOZWHUDEO-LZQZEXGQSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080324938 905156356 /nfs/dbraw/zinc/15/63/56/905156356.db2.gz KCXFMSXPAYYVTE-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080324938 905156360 /nfs/dbraw/zinc/15/63/60/905156360.db2.gz KCXFMSXPAYYVTE-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080324938 905156363 /nfs/dbraw/zinc/15/63/63/905156363.db2.gz KCXFMSXPAYYVTE-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080324938 905156369 /nfs/dbraw/zinc/15/63/69/905156369.db2.gz KCXFMSXPAYYVTE-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2C)CC1 ZINC001080997764 906972392 /nfs/dbraw/zinc/97/23/92/906972392.db2.gz KHRWKONYBPJZBX-CRAIPNDOSA-N 2 1 360.527 1.467 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2sc(C)nc2C)C1 ZINC001082567783 908702418 /nfs/dbraw/zinc/70/24/18/908702418.db2.gz AUNWPOXXLZLHIL-XYPHTWIQSA-N 2 1 360.527 1.794 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2sc(C)nc2C)C1 ZINC001082567783 908702429 /nfs/dbraw/zinc/70/24/29/908702429.db2.gz AUNWPOXXLZLHIL-XYPHTWIQSA-N 2 1 360.527 1.794 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001082567961 908705435 /nfs/dbraw/zinc/70/54/35/908705435.db2.gz OHMZNASIMWDBDI-AHRSYUTCSA-N 2 1 355.482 1.729 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC)c2)C1 ZINC001082567961 908705445 /nfs/dbraw/zinc/70/54/45/908705445.db2.gz OHMZNASIMWDBDI-AHRSYUTCSA-N 2 1 355.482 1.729 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2oc(CC)nc2C)C1 ZINC001082568556 908710213 /nfs/dbraw/zinc/71/02/13/908710213.db2.gz CZEFLJUOHWSWJC-OIISXLGYSA-N 2 1 358.486 1.580 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2oc(CC)nc2C)C1 ZINC001082568556 908710226 /nfs/dbraw/zinc/71/02/26/908710226.db2.gz CZEFLJUOHWSWJC-OIISXLGYSA-N 2 1 358.486 1.580 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082935003 910969242 /nfs/dbraw/zinc/96/92/42/910969242.db2.gz GBLMWRCMJZFWEL-LZQZEXGQSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082935003 910969246 /nfs/dbraw/zinc/96/92/46/910969246.db2.gz GBLMWRCMJZFWEL-LZQZEXGQSA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410084 911834337 /nfs/dbraw/zinc/83/43/37/911834337.db2.gz NXWKOMBUSYAQRZ-QRVBRYPASA-N 2 1 356.470 1.214 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212410084 911834357 /nfs/dbraw/zinc/83/43/57/911834357.db2.gz NXWKOMBUSYAQRZ-QRVBRYPASA-N 2 1 356.470 1.214 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCCOC4)C[C@H]32)CC1 ZINC001084851076 917658687 /nfs/dbraw/zinc/65/86/87/917658687.db2.gz MAVBCTDRDYBJDA-MISYRCLQSA-N 2 1 359.514 1.291 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092752 920805295 /nfs/dbraw/zinc/80/52/95/920805295.db2.gz OZNNVWSIAZVTDO-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092752 920805308 /nfs/dbraw/zinc/80/53/08/920805308.db2.gz OZNNVWSIAZVTDO-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092752 920805319 /nfs/dbraw/zinc/80/53/19/920805319.db2.gz OZNNVWSIAZVTDO-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C[C@@H]4CCOC4)[C@H]3C2)CC1 ZINC001085100585 920914471 /nfs/dbraw/zinc/91/44/71/920914471.db2.gz OYESSROOVSGBAB-NSHGMRRFSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1nc(C)cc1C ZINC001085229990 922984514 /nfs/dbraw/zinc/98/45/14/922984514.db2.gz VDJQWZYUJKCBFK-AQNXPRMDSA-N 2 1 371.529 1.615 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCn1nc(C)cc1C ZINC001085229990 922984522 /nfs/dbraw/zinc/98/45/22/922984522.db2.gz VDJQWZYUJKCBFK-AQNXPRMDSA-N 2 1 371.529 1.615 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000743490528 926378505 /nfs/dbraw/zinc/37/85/05/926378505.db2.gz RDVJXLTWRJPFAU-UHFFFAOYSA-N 2 1 368.525 1.652 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001086400654 927057441 /nfs/dbraw/zinc/05/74/41/927057441.db2.gz QQGYFHIMQHKYRT-OHDICMOHSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001086400654 927057457 /nfs/dbraw/zinc/05/74/57/927057457.db2.gz QQGYFHIMQHKYRT-OHDICMOHSA-N 2 1 356.470 1.262 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169131226 928288213 /nfs/dbraw/zinc/28/82/13/928288213.db2.gz RYSWYYKRUJAKQX-PXCRPINLSA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169131226 928288229 /nfs/dbraw/zinc/28/82/29/928288229.db2.gz RYSWYYKRUJAKQX-PXCRPINLSA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169131226 928288246 /nfs/dbraw/zinc/28/82/46/928288246.db2.gz RYSWYYKRUJAKQX-PXCRPINLSA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@@H]1n1ccnn1 ZINC001129856149 938528984 /nfs/dbraw/zinc/52/89/84/938528984.db2.gz YIMVTOUHMRHUFV-ZACQAIPSSA-N 2 1 371.489 1.606 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736996 940038364 /nfs/dbraw/zinc/03/83/64/940038364.db2.gz SYRCHAQPXJXQJI-ZIFCJYIRSA-N 2 1 361.534 1.999 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031428 940455283 /nfs/dbraw/zinc/45/52/83/940455283.db2.gz PBOSGYOZFGHKQC-CGTJXYLNSA-N 2 1 370.501 1.864 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131072347 940485253 /nfs/dbraw/zinc/48/52/53/940485253.db2.gz UGBRVNTXDJYNGJ-IAGOWNOFSA-N 2 1 361.534 1.858 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090867395 947371018 /nfs/dbraw/zinc/37/10/18/947371018.db2.gz MOEVNNZUJIYXQD-IPMKNSEASA-N 2 1 359.470 1.096 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090867395 947371030 /nfs/dbraw/zinc/37/10/30/947371030.db2.gz MOEVNNZUJIYXQD-IPMKNSEASA-N 2 1 359.470 1.096 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccc(OC)cc1 ZINC001090876006 947552260 /nfs/dbraw/zinc/55/22/60/947552260.db2.gz MIURSKMMYQZTNF-RBUKOAKNSA-N 2 1 354.454 1.970 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844367605 948018137 /nfs/dbraw/zinc/01/81/37/948018137.db2.gz AIRUNYYTDWPRIH-IBGZPJMESA-N 2 1 358.486 1.512 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CC1 ZINC000844367605 948018145 /nfs/dbraw/zinc/01/81/45/948018145.db2.gz AIRUNYYTDWPRIH-IBGZPJMESA-N 2 1 358.486 1.512 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196167695 971517186 /nfs/dbraw/zinc/51/71/86/971517186.db2.gz FOVYFKLZMCMMNR-QXAKKESOSA-N 2 1 362.518 1.886 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196167695 971517195 /nfs/dbraw/zinc/51/71/95/971517195.db2.gz FOVYFKLZMCMMNR-QXAKKESOSA-N 2 1 362.518 1.886 20 30 FDEDMP C#CCC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091400429 951572462 /nfs/dbraw/zinc/57/24/62/951572462.db2.gz JAWUOOQPAILCBV-NSISKUIASA-N 2 1 370.497 1.514 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091400429 951572466 /nfs/dbraw/zinc/57/24/66/951572466.db2.gz JAWUOOQPAILCBV-NSISKUIASA-N 2 1 370.497 1.514 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091400429 951572470 /nfs/dbraw/zinc/57/24/70/951572470.db2.gz JAWUOOQPAILCBV-NSISKUIASA-N 2 1 370.497 1.514 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@]2(C)C1 ZINC001091737020 952764514 /nfs/dbraw/zinc/76/45/14/952764514.db2.gz HDADDYGOGYOEEW-RYRKJORJSA-N 2 1 365.909 1.346 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)N(C)C)C[C@]2(C)C1 ZINC001091737020 952764515 /nfs/dbraw/zinc/76/45/15/952764515.db2.gz HDADDYGOGYOEEW-RYRKJORJSA-N 2 1 365.909 1.346 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccnc3)C[C@@]2(C)C1 ZINC001091748440 952793768 /nfs/dbraw/zinc/79/37/68/952793768.db2.gz LJJCSHWFCADORI-DYXWJJEUSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@@]2(C)C1 ZINC001091748440 952793773 /nfs/dbraw/zinc/79/37/73/952793773.db2.gz LJJCSHWFCADORI-DYXWJJEUSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cccnc3)C[C@@]2(C)C1 ZINC001091748440 952793778 /nfs/dbraw/zinc/79/37/78/952793778.db2.gz LJJCSHWFCADORI-DYXWJJEUSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cccnc3)C[C@@]2(C)C1 ZINC001091748440 952793783 /nfs/dbraw/zinc/79/37/83/952793783.db2.gz LJJCSHWFCADORI-DYXWJJEUSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3csnn3)C2)CC1 ZINC001086882418 952914206 /nfs/dbraw/zinc/91/42/06/952914206.db2.gz PXGOCOILHPVDMF-GOEBONIOSA-N 2 1 361.515 1.258 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cnn(C)c1 ZINC001086980782 953031166 /nfs/dbraw/zinc/03/11/66/953031166.db2.gz VILKJNMBGCAUPV-INDMIFKZSA-N 2 1 359.518 1.611 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cnn(C)c1 ZINC001086981708 953033607 /nfs/dbraw/zinc/03/36/07/953033607.db2.gz YYYWYVIFHZIISP-OTWHNJEPSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086997278 953040346 /nfs/dbraw/zinc/04/03/46/953040346.db2.gz WAIUPHZRJYTNIJ-ZYSHUDEJSA-N 2 1 368.485 1.258 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C[C@@H](CC)OC)C[C@@]3(C)C2)CC1 ZINC001092299775 954747738 /nfs/dbraw/zinc/74/77/38/954747738.db2.gz HUIARXWOTJWYHD-SBHAEUEKSA-N 2 1 361.530 1.537 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206053 972147102 /nfs/dbraw/zinc/14/71/02/972147102.db2.gz GHEAFBUGYKEVLU-RTBURBONSA-N 2 1 369.469 1.789 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206053 972147109 /nfs/dbraw/zinc/14/71/09/972147109.db2.gz GHEAFBUGYKEVLU-RTBURBONSA-N 2 1 369.469 1.789 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccnc2OC)C[C@H]1C ZINC001092689335 956196015 /nfs/dbraw/zinc/19/60/15/956196015.db2.gz JCYBUPHERFHHNY-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccnc2OC)C[C@H]1C ZINC001092689335 956196019 /nfs/dbraw/zinc/19/60/19/956196019.db2.gz JCYBUPHERFHHNY-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccnc2OC)C[C@H]1C ZINC001092689335 956196023 /nfs/dbraw/zinc/19/60/23/956196023.db2.gz JCYBUPHERFHHNY-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccnc2OC)C[C@H]1C ZINC001092689335 956196028 /nfs/dbraw/zinc/19/60/28/956196028.db2.gz JCYBUPHERFHHNY-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133201 957617999 /nfs/dbraw/zinc/61/79/99/957617999.db2.gz VWURIWNJLFTGIQ-CRAIPNDOSA-N 2 1 370.472 1.977 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ccn2)[C@H](C)C1 ZINC001093833042 958927255 /nfs/dbraw/zinc/92/72/55/958927255.db2.gz OPDAJOXNVGHGPV-HLIPFELVSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)ccn2)[C@H](C)C1 ZINC001093833042 958927256 /nfs/dbraw/zinc/92/72/56/958927256.db2.gz OPDAJOXNVGHGPV-HLIPFELVSA-N 2 1 370.497 1.372 20 30 FDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001183043695 962756056 /nfs/dbraw/zinc/75/60/56/962756056.db2.gz VYKQIZMOSYOFRZ-PMACEKPBSA-N 2 1 370.497 1.535 20 30 FDEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)CC1 ZINC001188962821 966674926 /nfs/dbraw/zinc/67/49/26/966674926.db2.gz HEOSGOVLHLBDCQ-VQTJNVASSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)CC1 ZINC001188962821 966674930 /nfs/dbraw/zinc/67/49/30/966674930.db2.gz HEOSGOVLHLBDCQ-VQTJNVASSA-N 2 1 351.494 1.913 20 30 FDEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189127505 966782541 /nfs/dbraw/zinc/78/25/41/966782541.db2.gz WSDWDSKOIIHIAP-QKLQHJQFSA-N 2 1 365.493 1.381 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189127505 966782542 /nfs/dbraw/zinc/78/25/42/966782542.db2.gz WSDWDSKOIIHIAP-QKLQHJQFSA-N 2 1 365.493 1.381 20 30 FDEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189127505 966782545 /nfs/dbraw/zinc/78/25/45/966782545.db2.gz WSDWDSKOIIHIAP-QKLQHJQFSA-N 2 1 365.493 1.381 20 30 FDEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189127505 966782550 /nfs/dbraw/zinc/78/25/50/966782550.db2.gz WSDWDSKOIIHIAP-QKLQHJQFSA-N 2 1 365.493 1.381 20 30 FDEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446169 969131241 /nfs/dbraw/zinc/13/12/41/969131241.db2.gz XGTPOBMWTFTIQZ-HBMCJLEFSA-N 2 1 369.509 1.514 20 30 FDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446169 969131251 /nfs/dbraw/zinc/13/12/51/969131251.db2.gz XGTPOBMWTFTIQZ-HBMCJLEFSA-N 2 1 369.509 1.514 20 30 FDEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446169 969131264 /nfs/dbraw/zinc/13/12/64/969131264.db2.gz XGTPOBMWTFTIQZ-HBMCJLEFSA-N 2 1 369.509 1.514 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000849075414 977304282 /nfs/dbraw/zinc/30/42/82/977304282.db2.gz CXBOJLOIHZDCAL-OAQYLSRUSA-N 2 1 373.545 1.396 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110734491 981694873 /nfs/dbraw/zinc/69/48/73/981694873.db2.gz RBEHKBXGFVYJEE-JJXSEGSLSA-N 2 1 350.507 1.129 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110734491 981694875 /nfs/dbraw/zinc/69/48/75/981694875.db2.gz RBEHKBXGFVYJEE-JJXSEGSLSA-N 2 1 350.507 1.129 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110734491 981694877 /nfs/dbraw/zinc/69/48/77/981694877.db2.gz RBEHKBXGFVYJEE-JJXSEGSLSA-N 2 1 350.507 1.129 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110734491 981694879 /nfs/dbraw/zinc/69/48/79/981694879.db2.gz RBEHKBXGFVYJEE-JJXSEGSLSA-N 2 1 350.507 1.129 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCC(CCC[N@H+](C)CCOC)CC2)CC1 ZINC000131112062 981982648 /nfs/dbraw/zinc/98/26/48/981982648.db2.gz ABLIKNFLVOZXOI-UHFFFAOYSA-N 2 1 363.546 1.929 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000884071858 982818558 /nfs/dbraw/zinc/81/85/58/982818558.db2.gz JAMONYWATOCLBW-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000884071858 982818575 /nfs/dbraw/zinc/81/85/75/982818575.db2.gz JAMONYWATOCLBW-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000884072905 982821792 /nfs/dbraw/zinc/82/17/92/982821792.db2.gz STEGHFVVEDTVMM-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000884072905 982821803 /nfs/dbraw/zinc/82/18/03/982821803.db2.gz STEGHFVVEDTVMM-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](C)C1 ZINC000884221215 982995025 /nfs/dbraw/zinc/99/50/25/982995025.db2.gz MNBFWYUTLXZFMJ-BCOABZSFSA-N 2 1 362.518 1.379 20 30 FDEDMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884278950 983049964 /nfs/dbraw/zinc/04/99/64/983049964.db2.gz XMVIPVFBZXMJRC-WAGVIYRNSA-N 2 1 354.454 1.307 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884314375 983076110 /nfs/dbraw/zinc/07/61/10/983076110.db2.gz HSRMXCDFSXOEBM-FAIWXJIUSA-N 2 1 352.482 1.762 20 30 FDEDMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884406164 983141140 /nfs/dbraw/zinc/14/11/40/983141140.db2.gz NHWZIDQIKCQLRL-FGNUKQJGSA-N 2 1 366.509 1.901 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(-c3cc[nH+]cc3)n1)C2 ZINC001110799173 983711235 /nfs/dbraw/zinc/71/12/35/983711235.db2.gz CCJFTQVFNHPHTK-QRQLOZEOSA-N 2 1 367.453 1.805 20 30 FDEDMP C=CCc1cc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1O ZINC000872254947 987546584 /nfs/dbraw/zinc/54/65/84/987546584.db2.gz GQMDRMOTXQIPML-NUJGCVRESA-N 2 1 373.453 1.496 20 30 FDEDMP CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000362308611 988630322 /nfs/dbraw/zinc/63/03/22/988630322.db2.gz GDGDJPHVKMWSMM-WCIQWLHISA-N 2 1 373.545 1.095 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1C1CC[NH+](C)CC1 ZINC000362639470 988693568 /nfs/dbraw/zinc/69/35/68/988693568.db2.gz KOUOZMGRELNGMI-QGZVFWFLSA-N 2 1 369.513 1.987 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000369395897 989050599 /nfs/dbraw/zinc/05/05/99/989050599.db2.gz RGNKZZZVNZSHOT-IBGZPJMESA-N 2 1 363.550 1.448 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000363706413 989400755 /nfs/dbraw/zinc/40/07/55/989400755.db2.gz NEIGDAAHXOYMOY-AHRSYUTCSA-N 2 1 370.497 1.653 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000363706413 989400758 /nfs/dbraw/zinc/40/07/58/989400758.db2.gz NEIGDAAHXOYMOY-AHRSYUTCSA-N 2 1 370.497 1.653 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000874263404 989996057 /nfs/dbraw/zinc/99/60/57/989996057.db2.gz DEQXRGYOWYNVTF-UHFFFAOYSA-N 2 1 369.469 1.085 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000876922384 992968821 /nfs/dbraw/zinc/96/88/21/992968821.db2.gz XNVMGTZVSSDITI-INIZCTEOSA-N 2 1 350.894 1.566 20 30 FDEDMP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000924995691 995221935 /nfs/dbraw/zinc/22/19/35/995221935.db2.gz XXKJTSZDWABOGO-JKSUJKDBSA-N 2 1 368.522 1.818 20 30 FDEDMP CN(C(=O)Cc1ccccc1CC#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000777399352 999061034 /nfs/dbraw/zinc/06/10/34/999061034.db2.gz NOHBJLMWBLXKTC-HXUWFJFHSA-N 2 1 354.498 1.922 20 30 FDEDMP CN(C(=O)Cc1ccccc1CC#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000777399352 999061039 /nfs/dbraw/zinc/06/10/39/999061039.db2.gz NOHBJLMWBLXKTC-HXUWFJFHSA-N 2 1 354.498 1.922 20 30 FDEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000285070070 999900169 /nfs/dbraw/zinc/90/01/69/999900169.db2.gz MOPPVDMKCRPEID-QFBILLFUSA-N 2 1 370.501 1.916 20 30 FDEDMP C#Cc1ccc(NC(=O)CC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000929979495 1002694502 /nfs/dbraw/zinc/69/45/02/1002694502.db2.gz FICLDNRBHBQCCV-HXUWFJFHSA-N 2 1 354.498 1.708 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCCc1ccccc1 ZINC000303770128 1009573308 /nfs/dbraw/zinc/57/33/08/1009573308.db2.gz BPPSMXIRRBQKOT-UHFFFAOYSA-N 2 1 367.501 1.136 20 30 FDEDMP CC[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)[N@@H+]1CCc2ccccc2C1 ZINC000303877439 1009646909 /nfs/dbraw/zinc/64/69/09/1009646909.db2.gz FGSGKWCNDHMYAD-FQEVSTJZSA-N 2 1 373.545 1.321 20 30 FDEDMP CC[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)[N@H+]1CCc2ccccc2C1 ZINC000303877439 1009646918 /nfs/dbraw/zinc/64/69/18/1009646918.db2.gz FGSGKWCNDHMYAD-FQEVSTJZSA-N 2 1 373.545 1.321 20 30 FDEDMP C[C@@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)C[NH+]1CCOCC1 ZINC000304737406 1010476939 /nfs/dbraw/zinc/47/69/39/1010476939.db2.gz AKRXARUIQWJRQI-INIZCTEOSA-N 2 1 363.481 1.231 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407228 1012188510 /nfs/dbraw/zinc/18/85/10/1012188510.db2.gz OOVRCAAYEWNJNI-TVFCKZIOSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111407228 1012188520 /nfs/dbraw/zinc/18/85/20/1012188520.db2.gz OOVRCAAYEWNJNI-TVFCKZIOSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111407228 1012188529 /nfs/dbraw/zinc/18/85/29/1012188529.db2.gz OOVRCAAYEWNJNI-TVFCKZIOSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111407228 1012188542 /nfs/dbraw/zinc/18/85/42/1012188542.db2.gz OOVRCAAYEWNJNI-TVFCKZIOSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000550784023 543173723 /nfs/dbraw/zinc/17/37/23/543173723.db2.gz OPJZDMCICUVMKL-QGZVFWFLSA-N 2 1 364.534 1.381 20 30 FDEDMP COC(=O)[C@]1(C)C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@](C)(C(=O)OC)C2)C[C@H]1C ZINC000551447281 543286488 /nfs/dbraw/zinc/28/64/88/543286488.db2.gz GUJZBBGPLLHCOP-XNFNUYLZSA-N 2 1 364.486 1.252 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000127170632 173066556 /nfs/dbraw/zinc/06/65/56/173066556.db2.gz RGYNXKFAAMOXRM-FQEVSTJZSA-N 2 1 370.497 1.468 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564921 522749947 /nfs/dbraw/zinc/74/99/47/522749947.db2.gz GSSMGBNBTRISKT-MRXNPFEDSA-N 2 1 350.507 1.975 20 30 FDEDMP Cc1[nH+]ccn1CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120439 524477389 /nfs/dbraw/zinc/47/73/89/524477389.db2.gz ARYSFORQWHKWOG-OAHLLOKOSA-N 2 1 362.478 1.462 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158904506 524549203 /nfs/dbraw/zinc/54/92/03/524549203.db2.gz WGBBGLKHGHQWDN-INIZCTEOSA-N 2 1 350.507 1.975 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158904506 524549209 /nfs/dbraw/zinc/54/92/09/524549209.db2.gz WGBBGLKHGHQWDN-INIZCTEOSA-N 2 1 350.507 1.975 20 30 FDEDMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000152388938 524868872 /nfs/dbraw/zinc/86/88/72/524868872.db2.gz IIMRVSBEAFYKQS-VQIMIIECSA-N 2 1 373.501 1.351 20 30 FDEDMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000152388938 524868882 /nfs/dbraw/zinc/86/88/82/524868882.db2.gz IIMRVSBEAFYKQS-VQIMIIECSA-N 2 1 373.501 1.351 20 30 FDEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181724 525398137 /nfs/dbraw/zinc/39/81/37/525398137.db2.gz FURVJXFUEMTHMP-FQEVSTJZSA-N 2 1 373.545 1.178 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000104181724 525398146 /nfs/dbraw/zinc/39/81/46/525398146.db2.gz FURVJXFUEMTHMP-FQEVSTJZSA-N 3 1 373.545 1.178 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181724 525398154 /nfs/dbraw/zinc/39/81/54/525398154.db2.gz FURVJXFUEMTHMP-FQEVSTJZSA-N 3 1 373.545 1.178 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000118834535 525555069 /nfs/dbraw/zinc/55/50/69/525555069.db2.gz XFUNQKHKUQHMAC-GOSISDBHSA-N 2 1 355.486 1.599 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CS(C)(=O)=O)c1 ZINC000170912447 525768452 /nfs/dbraw/zinc/76/84/52/525768452.db2.gz IMKYAXOWBZZMBH-MRXNPFEDSA-N 2 1 352.504 1.120 20 30 FDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182965667 535896278 /nfs/dbraw/zinc/89/62/78/535896278.db2.gz WIWVVPGRQAVZHP-FQEVSTJZSA-N 2 1 369.513 1.623 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000189995351 537125492 /nfs/dbraw/zinc/12/54/92/537125492.db2.gz VQSHXZNPQQMORQ-OWCLPIDISA-N 2 1 354.495 1.113 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000189995351 537125494 /nfs/dbraw/zinc/12/54/94/537125494.db2.gz VQSHXZNPQQMORQ-OWCLPIDISA-N 2 1 354.495 1.113 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(F)ccc1Br ZINC000264055177 537136510 /nfs/dbraw/zinc/13/65/10/537136510.db2.gz ANGMBRBMCJSZQS-UHFFFAOYSA-N 2 1 373.270 1.715 20 30 FDEDMP Cc1ccc(Br)cc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000190089288 537138423 /nfs/dbraw/zinc/13/84/23/537138423.db2.gz BXCIVSONEHOBMT-UHFFFAOYSA-N 2 1 369.307 1.884 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000264149483 537138634 /nfs/dbraw/zinc/13/86/34/537138634.db2.gz YTMWOLTZQWGWEX-GFCCVEGCSA-N 2 1 369.395 1.637 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CCCC1 ZINC000498842155 538859093 /nfs/dbraw/zinc/85/90/93/538859093.db2.gz DMEDEFYJPJOGIZ-QGZVFWFLSA-N 2 1 370.563 1.748 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CCCC1 ZINC000498842155 538859099 /nfs/dbraw/zinc/85/90/99/538859099.db2.gz DMEDEFYJPJOGIZ-QGZVFWFLSA-N 2 1 370.563 1.748 20 30 FDEDMP C[NH+]1CCC(CCO)([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000584361457 551486539 /nfs/dbraw/zinc/48/65/39/551486539.db2.gz QNGGHMGOSBOAAB-UHFFFAOYSA-N 2 1 368.485 1.795 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@]3(C#N)CCSC3)CC2)CC1 ZINC000594257249 552272169 /nfs/dbraw/zinc/27/21/69/552272169.db2.gz BKGLRZOHELGNSA-SFHVURJKSA-N 2 1 350.532 1.698 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594437884 552309803 /nfs/dbraw/zinc/30/98/03/552309803.db2.gz LJEDHOXWLZDNQB-AEFFLSMTSA-N 2 1 371.485 1.734 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)C1 ZINC000595641131 552596066 /nfs/dbraw/zinc/59/60/66/552596066.db2.gz BSTBJIVYAANDPE-LJQANCHMSA-N 2 1 372.513 1.856 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000104168542 671594636 /nfs/dbraw/zinc/59/46/36/671594636.db2.gz RTDWLHPVVSSADA-UHFFFAOYSA-N 2 1 353.511 1.776 20 30 FDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000104179695 671595047 /nfs/dbraw/zinc/59/50/47/671595047.db2.gz VMGOIJVRFICIGP-HNNXBMFYSA-N 2 1 353.511 1.586 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249493197 672565661 /nfs/dbraw/zinc/56/56/61/672565661.db2.gz VQSHXZNPQQMORQ-JYJNAYRXSA-N 2 1 354.495 1.113 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249493197 672565663 /nfs/dbraw/zinc/56/56/63/672565663.db2.gz VQSHXZNPQQMORQ-JYJNAYRXSA-N 2 1 354.495 1.113 20 30 FDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@]1([NH+](C)C)CCSC1 ZINC000262755561 672842754 /nfs/dbraw/zinc/84/27/54/672842754.db2.gz DEUQECLLIOGCOL-QGZVFWFLSA-N 2 1 350.488 1.518 20 30 FDEDMP CCOc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1OC ZINC000267433829 673303529 /nfs/dbraw/zinc/30/35/29/673303529.db2.gz NCBJBVBEBWXWAH-UHFFFAOYSA-N 2 1 350.463 1.221 20 30 FDEDMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000303872568 676543306 /nfs/dbraw/zinc/54/33/06/676543306.db2.gz CBTJHHDDIVFNBJ-AWEZNQCLSA-N 2 1 351.495 1.338 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750307 676544322 /nfs/dbraw/zinc/54/43/22/676544322.db2.gz IGGBUDXKVVKEFI-GJZGRUSLSA-N 2 1 355.527 1.924 20 30 FDEDMP O=C(C[N@@H+]1CCOCC2(CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329569047 676644509 /nfs/dbraw/zinc/64/45/09/676644509.db2.gz PRQUYFILXIDCCC-UHFFFAOYSA-N 2 1 351.491 1.699 20 30 FDEDMP O=C(C[N@H+]1CCOCC2(CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329569047 676644510 /nfs/dbraw/zinc/64/45/10/676644510.db2.gz PRQUYFILXIDCCC-UHFFFAOYSA-N 2 1 351.491 1.699 20 30 FDEDMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329978940 676666747 /nfs/dbraw/zinc/66/67/47/676666747.db2.gz INZNSYKXKJHHTQ-IAGOWNOFSA-N 2 1 351.539 1.533 20 30 FDEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329978940 676666748 /nfs/dbraw/zinc/66/67/48/676666748.db2.gz INZNSYKXKJHHTQ-IAGOWNOFSA-N 2 1 351.539 1.533 20 30 FDEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000329978940 676666751 /nfs/dbraw/zinc/66/67/51/676666751.db2.gz INZNSYKXKJHHTQ-IAGOWNOFSA-N 2 1 351.539 1.533 20 30 FDEDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330216669 676679234 /nfs/dbraw/zinc/67/92/34/676679234.db2.gz HYGWMYMNOPBJJF-CGTJXYLNSA-N 2 1 352.523 1.552 20 30 FDEDMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000330221765 676679628 /nfs/dbraw/zinc/67/96/28/676679628.db2.gz LYENZWQHQRMNGT-JQHSSLGASA-N 2 1 352.523 1.552 20 30 FDEDMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)NC(=O)NCC(F)(F)F ZINC000331250798 676724186 /nfs/dbraw/zinc/72/41/86/676724186.db2.gz SNXPZWRIKLIISL-UHFFFAOYSA-N 2 1 364.412 1.919 20 30 FDEDMP C[NH+](C)CC1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000331304468 676726509 /nfs/dbraw/zinc/72/65/09/676726509.db2.gz QYOYCFNKNGXRMS-UHFFFAOYSA-N 2 1 353.555 1.636 20 30 FDEDMP CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000409591211 678865350 /nfs/dbraw/zinc/86/53/50/678865350.db2.gz IYMRUCQABVTCSQ-IRXDYDNUSA-N 2 1 373.567 1.061 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264829 772581365 /nfs/dbraw/zinc/58/13/65/772581365.db2.gz GWVLMGNKJWHMGG-KZNAEPCWSA-N 2 1 364.534 1.237 20 30 FDEDMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024445937 784674647 /nfs/dbraw/zinc/67/46/47/784674647.db2.gz YJFKBPSJOBOALJ-AQNXPRMDSA-N 2 1 361.530 1.727 20 30 FDEDMP C=C(Br)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001105008182 794893630 /nfs/dbraw/zinc/89/36/30/794893630.db2.gz TUGQSRKCSHQDPC-YUELXQCFSA-N 2 1 358.324 1.921 20 30 FDEDMP C=CC[C@@]1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662690987 806967740 /nfs/dbraw/zinc/96/77/40/806967740.db2.gz FHCPXXQXIGSSOE-FQEVSTJZSA-N 2 1 356.470 1.711 20 30 FDEDMP [NH2+]=C(Nc1ccccc1COC(=O)ON1C(=O)CCC1=O)SCC[NH3+] ZINC001167913865 807029656 /nfs/dbraw/zinc/02/96/56/807029656.db2.gz GDJLGPYPESTDNL-UHFFFAOYSA-N 2 1 366.399 1.442 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262017950 811368517 /nfs/dbraw/zinc/36/85/17/811368517.db2.gz YEZWCLLSJLOPGT-YOEHRIQHSA-N 2 1 353.474 1.415 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330437217 819614321 /nfs/dbraw/zinc/61/43/21/819614321.db2.gz ROTGULRDVPTUIZ-FUHIMQAGSA-N 2 1 364.534 1.862 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330437217 819614325 /nfs/dbraw/zinc/61/43/25/819614325.db2.gz ROTGULRDVPTUIZ-FUHIMQAGSA-N 2 1 364.534 1.862 20 30 FDEDMP C[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262097724 819762064 /nfs/dbraw/zinc/76/20/64/819762064.db2.gz ZBRYSEQXZVZXHR-XJKSGUPXSA-N 2 1 358.486 1.920 20 30 FDEDMP C[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262097724 819762070 /nfs/dbraw/zinc/76/20/70/819762070.db2.gz ZBRYSEQXZVZXHR-XJKSGUPXSA-N 2 1 358.486 1.920 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087622258 821781580 /nfs/dbraw/zinc/78/15/80/821781580.db2.gz BWXRMDRQJFPZOM-XWPNQZOQSA-N 2 1 370.497 1.746 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087622258 821781587 /nfs/dbraw/zinc/78/15/87/821781587.db2.gz BWXRMDRQJFPZOM-XWPNQZOQSA-N 2 1 370.497 1.746 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087622258 821781604 /nfs/dbraw/zinc/78/16/04/821781604.db2.gz BWXRMDRQJFPZOM-XWPNQZOQSA-N 2 1 370.497 1.746 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087622258 821781613 /nfs/dbraw/zinc/78/16/13/821781613.db2.gz BWXRMDRQJFPZOM-XWPNQZOQSA-N 2 1 370.497 1.746 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnn(C)c3)[C@@H]2CC)CC1 ZINC001087840303 822559683 /nfs/dbraw/zinc/55/96/83/822559683.db2.gz QOBPAJVJBCBHMV-RBUKOAKNSA-N 2 1 357.502 1.234 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001087909066 823753548 /nfs/dbraw/zinc/75/35/48/823753548.db2.gz XGBJCABXILZLQU-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001087909066 823753554 /nfs/dbraw/zinc/75/35/54/823753554.db2.gz XGBJCABXILZLQU-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001087909066 823753558 /nfs/dbraw/zinc/75/35/58/823753558.db2.gz XGBJCABXILZLQU-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nccn4C)CC[C@@H]3C2)CC1 ZINC001088212045 827493099 /nfs/dbraw/zinc/49/30/99/827493099.db2.gz LYMAPDQNHXQRPT-MOPGFXCFSA-N 2 1 369.513 1.046 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nccn4C)CC[C@@H]3C2)CC1 ZINC001088212045 827493102 /nfs/dbraw/zinc/49/31/02/827493102.db2.gz LYMAPDQNHXQRPT-MOPGFXCFSA-N 2 1 369.513 1.046 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4nocc4C)CC[C@@H]3C2)CC1 ZINC001088212252 827493588 /nfs/dbraw/zinc/49/35/88/827493588.db2.gz YBTXVMSKLLNSCZ-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4nocc4C)CC[C@@H]3C2)CC1 ZINC001088212252 827493591 /nfs/dbraw/zinc/49/35/91/827493591.db2.gz YBTXVMSKLLNSCZ-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cnn(C)c1C#N ZINC000527012937 828925752 /nfs/dbraw/zinc/92/57/52/828925752.db2.gz BPWLFFOAXIVAPX-UHFFFAOYSA-N 2 1 372.517 1.560 20 30 FDEDMP C[C@@H]1CN(CC#CCN2CC[NH+](C3CC3)C[C@@H](C)C2)CC[N@H+](C2CC2)C1 ZINC000451095532 830249114 /nfs/dbraw/zinc/24/91/14/830249114.db2.gz STZVIXOLBKDWNK-BGYRXZFFSA-N 2 1 358.574 1.822 20 30 FDEDMP C[C@@H]1CN(CC#CCN2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC[NH+](C2CC2)C1 ZINC000451095532 830249121 /nfs/dbraw/zinc/24/91/21/830249121.db2.gz STZVIXOLBKDWNK-BGYRXZFFSA-N 2 1 358.574 1.822 20 30 FDEDMP C[C@@H]1CN(CC#CCN2CC[N@H+](C3CC3)C[C@@H](C)C2)CC[NH+](C2CC2)C1 ZINC000451095532 830249126 /nfs/dbraw/zinc/24/91/26/830249126.db2.gz STZVIXOLBKDWNK-BGYRXZFFSA-N 2 1 358.574 1.822 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262784035 831425178 /nfs/dbraw/zinc/42/51/78/831425178.db2.gz LVWANQQKPUNTOG-SFHVURJKSA-N 2 1 361.534 1.153 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001088494147 831772870 /nfs/dbraw/zinc/77/28/70/831772870.db2.gz NTXMAYDHNMOALE-AYOQOUSVSA-N 2 1 356.470 1.762 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001088494147 831772874 /nfs/dbraw/zinc/77/28/74/831772874.db2.gz NTXMAYDHNMOALE-AYOQOUSVSA-N 2 1 356.470 1.762 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001088494147 831772877 /nfs/dbraw/zinc/77/28/77/831772877.db2.gz NTXMAYDHNMOALE-AYOQOUSVSA-N 2 1 356.470 1.762 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088571527 834839183 /nfs/dbraw/zinc/83/91/83/834839183.db2.gz DHNGYMFJPUWCQL-YSGRDPCXSA-N 2 1 352.482 1.979 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105666539 843201336 /nfs/dbraw/zinc/20/13/36/843201336.db2.gz GQNXJZNZJZZQMW-IZBJGVDFSA-N 2 1 351.535 1.870 20 30 FDEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21)[NH+](C)C ZINC001076253607 847704041 /nfs/dbraw/zinc/70/40/41/847704041.db2.gz OABKHNVVSHWXMU-YSIASYRMSA-N 2 1 370.497 1.962 20 30 FDEDMP N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)ccc1F ZINC001076572577 848445774 /nfs/dbraw/zinc/44/57/74/848445774.db2.gz BVAYFFBDFPUCMA-QFBILLFUSA-N 2 1 356.445 1.826 20 30 FDEDMP N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)ccc1F ZINC001076572577 848445775 /nfs/dbraw/zinc/44/57/75/848445775.db2.gz BVAYFFBDFPUCMA-QFBILLFUSA-N 2 1 356.445 1.826 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4conc4C)C[C@H]32)CC1 ZINC001076604711 848554690 /nfs/dbraw/zinc/55/46/90/848554690.db2.gz SHWZDADFYCMHTF-PKOBYXMFSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4conc4C)C[C@H]32)CC1 ZINC001076604711 848554699 /nfs/dbraw/zinc/55/46/99/848554699.db2.gz SHWZDADFYCMHTF-PKOBYXMFSA-N 2 1 356.470 1.361 20 30 FDEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077131817 849859890 /nfs/dbraw/zinc/85/98/90/849859890.db2.gz LWHDSRMCNQUQAC-VAMGGRTRSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077131817 849859893 /nfs/dbraw/zinc/85/98/93/849859893.db2.gz LWHDSRMCNQUQAC-VAMGGRTRSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077131817 849859898 /nfs/dbraw/zinc/85/98/98/849859898.db2.gz LWHDSRMCNQUQAC-VAMGGRTRSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077131817 849859904 /nfs/dbraw/zinc/85/99/04/849859904.db2.gz LWHDSRMCNQUQAC-VAMGGRTRSA-N 2 1 370.497 1.482 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)CC1 ZINC000905093672 851677047 /nfs/dbraw/zinc/67/70/47/851677047.db2.gz AHKOEGMIYOASGI-KGXSXCIVSA-N 2 1 368.518 1.462 20 30 FDEDMP COc1ccc2c(c1)CCC[C@H]2CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000164300403 862526923 /nfs/dbraw/zinc/52/69/23/862526923.db2.gz UOWNKNAVPWLWJX-KRWDZBQOSA-N 2 1 360.502 1.742 20 30 FDEDMP C=CCCC[C@@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911077115 858120098 /nfs/dbraw/zinc/12/00/98/858120098.db2.gz CIESOIFWKLAFAW-NXHRZFHOSA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCCC[C@@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911077115 858120100 /nfs/dbraw/zinc/12/01/00/858120100.db2.gz CIESOIFWKLAFAW-NXHRZFHOSA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000669032527 860838466 /nfs/dbraw/zinc/83/84/66/860838466.db2.gz NANOLIRGHNBJQT-MSOLQXFVSA-N 2 1 374.533 1.920 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC000669032527 860838476 /nfs/dbraw/zinc/83/84/76/860838476.db2.gz NANOLIRGHNBJQT-MSOLQXFVSA-N 2 1 374.533 1.920 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC000669032527 860838487 /nfs/dbraw/zinc/83/84/87/860838487.db2.gz NANOLIRGHNBJQT-MSOLQXFVSA-N 2 1 374.533 1.920 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357738 874895781 /nfs/dbraw/zinc/89/57/81/874895781.db2.gz MGKFSGKLRQGRKU-KZNAEPCWSA-N 2 1 364.534 1.093 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137576 883111266 /nfs/dbraw/zinc/11/12/66/883111266.db2.gz RUEOBQRYLONAGP-SOAMZJECSA-N 2 1 364.534 1.416 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3C#N)CC2)O1 ZINC001034674524 884689191 /nfs/dbraw/zinc/68/91/91/884689191.db2.gz IRMSGWUCVVOQER-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3C#N)CC2)O1 ZINC001034674524 884689200 /nfs/dbraw/zinc/68/92/00/884689200.db2.gz IRMSGWUCVVOQER-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)O1 ZINC001034971826 885403579 /nfs/dbraw/zinc/40/35/79/885403579.db2.gz VYOCCWCELXQRMJ-CKEIUWERSA-N 2 1 362.499 1.419 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(C#N)s2)O1 ZINC001034971826 885403582 /nfs/dbraw/zinc/40/35/82/885403582.db2.gz VYOCCWCELXQRMJ-CKEIUWERSA-N 2 1 362.499 1.419 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000919962566 886461714 /nfs/dbraw/zinc/46/17/14/886461714.db2.gz VPVNBXNNELKKDQ-GOSISDBHSA-N 2 1 374.554 1.498 20 30 FDEDMP C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)CC2 ZINC001035803592 886491477 /nfs/dbraw/zinc/49/14/77/886491477.db2.gz PEDXLFACVZDIRC-UXHICEINSA-N 2 1 351.494 1.889 20 30 FDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccccc2OCC#N)CC1 ZINC000920006069 886530872 /nfs/dbraw/zinc/53/08/72/886530872.db2.gz FTMBGOFEIXYEOT-UHFFFAOYSA-N 2 1 351.410 1.988 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106907987 889216436 /nfs/dbraw/zinc/21/64/36/889216436.db2.gz KXXVSEDVSSLNBY-QZTJIDSGSA-N 2 1 364.534 1.213 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccc(C)cc3)C[C@@H]2O)CC1 ZINC001084090168 913372642 /nfs/dbraw/zinc/37/26/42/913372642.db2.gz NIQPERYYXMGSLM-RTWAWAEBSA-N 2 1 369.509 1.044 20 30 FDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1 ZINC001084349616 914140068 /nfs/dbraw/zinc/14/00/68/914140068.db2.gz SUMMUOQOEFSQST-ATZDWAIDSA-N 2 1 370.522 1.994 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1 ZINC001084349616 914140076 /nfs/dbraw/zinc/14/00/76/914140076.db2.gz SUMMUOQOEFSQST-ATZDWAIDSA-N 2 1 370.522 1.994 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1 ZINC001107008925 899484620 /nfs/dbraw/zinc/48/46/20/899484620.db2.gz CPWNEBPACHIYIG-HMXCVIKNSA-N 2 1 369.509 1.443 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1 ZINC001107008925 899484626 /nfs/dbraw/zinc/48/46/26/899484626.db2.gz CPWNEBPACHIYIG-HMXCVIKNSA-N 2 1 369.509 1.443 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC[C@H]1c1ccc(F)cc1 ZINC001079155762 902073117 /nfs/dbraw/zinc/07/31/17/902073117.db2.gz RTTWVXAXIBECON-RBUKOAKNSA-N 2 1 354.429 1.938 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1F ZINC001079322325 902426207 /nfs/dbraw/zinc/42/62/07/902426207.db2.gz PFEGGJDRUGKENZ-QXAKKESOSA-N 2 1 359.445 1.064 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1F ZINC001079322325 902426218 /nfs/dbraw/zinc/42/62/18/902426218.db2.gz PFEGGJDRUGKENZ-QXAKKESOSA-N 2 1 359.445 1.064 20 30 FDEDMP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107424285 904832055 /nfs/dbraw/zinc/83/20/55/904832055.db2.gz GKAWWOFOZDRQLA-QWFCFKBJSA-N 2 1 367.509 1.677 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)cc1C#N ZINC001082448536 907812594 /nfs/dbraw/zinc/81/25/94/907812594.db2.gz UPONOOKMSDDPRU-OLMNPRSZSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001082741825 909941716 /nfs/dbraw/zinc/94/17/16/909941716.db2.gz DUHKZXKRTHMHIC-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC001082807964 910267926 /nfs/dbraw/zinc/26/79/26/910267926.db2.gz NFNBUNYUQGSYFX-RHSMWYFYSA-N 2 1 362.499 1.279 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1C#N ZINC001082920140 910889980 /nfs/dbraw/zinc/88/99/80/910889980.db2.gz RPWMBIWWDADTSH-QGPMSJSTSA-N 2 1 356.470 1.455 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC4CCOCC4)C[C@H]32)CC1 ZINC001084850006 917692058 /nfs/dbraw/zinc/69/20/58/917692058.db2.gz DXUGDNONGQPESN-WOJBJXKFSA-N 2 1 359.514 1.291 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1 ZINC001085159560 921883210 /nfs/dbraw/zinc/88/32/10/921883210.db2.gz ZGKFYPOXIMILCZ-BRWVUGGUSA-N 2 1 362.499 1.467 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1 ZINC001085159560 921883223 /nfs/dbraw/zinc/88/32/23/921883223.db2.gz ZGKFYPOXIMILCZ-BRWVUGGUSA-N 2 1 362.499 1.467 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001085229825 922983559 /nfs/dbraw/zinc/98/35/59/922983559.db2.gz MHLWMKAVWKMIMJ-NJYVYQBISA-N 2 1 369.509 1.794 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC001085229825 922983565 /nfs/dbraw/zinc/98/35/65/922983565.db2.gz MHLWMKAVWKMIMJ-NJYVYQBISA-N 2 1 369.509 1.794 20 30 FDEDMP C=CCOCC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001098371181 923567684 /nfs/dbraw/zinc/56/76/84/923567684.db2.gz KDMKPRNWGZNRKA-RBUKOAKNSA-N 2 1 367.534 1.205 20 30 FDEDMP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001098371181 923567697 /nfs/dbraw/zinc/56/76/97/923567697.db2.gz KDMKPRNWGZNRKA-RBUKOAKNSA-N 2 1 367.534 1.205 20 30 FDEDMP C=CCOCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001098371181 923567710 /nfs/dbraw/zinc/56/77/10/923567710.db2.gz KDMKPRNWGZNRKA-RBUKOAKNSA-N 2 1 367.534 1.205 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672325 930110089 /nfs/dbraw/zinc/11/00/89/930110089.db2.gz BVPNIUDYAMZBPP-MHORFTMASA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672325 930110090 /nfs/dbraw/zinc/11/00/90/930110090.db2.gz BVPNIUDYAMZBPP-MHORFTMASA-N 2 1 364.534 1.473 20 30 FDEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086624982 938507847 /nfs/dbraw/zinc/50/78/47/938507847.db2.gz DQJGQZROPZYINA-ZCNNSNEGSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086624982 938507848 /nfs/dbraw/zinc/50/78/48/938507848.db2.gz DQJGQZROPZYINA-ZCNNSNEGSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001086624982 938507850 /nfs/dbraw/zinc/50/78/50/938507850.db2.gz DQJGQZROPZYINA-ZCNNSNEGSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001086624982 938507851 /nfs/dbraw/zinc/50/78/51/938507851.db2.gz DQJGQZROPZYINA-ZCNNSNEGSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@@H]1n1ccnn1 ZINC001129856127 938528973 /nfs/dbraw/zinc/52/89/73/938528973.db2.gz XWFIXAGVDKZYHU-BBWFWOEESA-N 2 1 369.473 1.053 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001129934245 938563483 /nfs/dbraw/zinc/56/34/83/938563483.db2.gz WCEFHGZSQKRMCL-UAGQMJEPSA-N 2 1 357.462 1.179 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130006027 938623389 /nfs/dbraw/zinc/62/33/89/938623389.db2.gz PMUPEVCRZHLPEB-PMPSAXMXSA-N 2 1 368.913 1.493 20 30 FDEDMP C=C(Cl)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[NH+](C)C)CC1 ZINC001130299039 938799357 /nfs/dbraw/zinc/79/93/57/938799357.db2.gz UHGNNMAWVSSHBS-QAPCUYQASA-N 2 1 370.925 1.166 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130652050 939946242 /nfs/dbraw/zinc/94/62/42/939946242.db2.gz CYDPJJGIVNOVOR-LSTDLKDCSA-N 2 1 357.502 1.058 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130678417 939968102 /nfs/dbraw/zinc/96/81/02/939968102.db2.gz ZVSUHTRVZHNEFV-FUHWJXTLSA-N 2 1 357.502 1.059 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130989060 940411194 /nfs/dbraw/zinc/41/11/94/940411194.db2.gz UDXYCIOEVPPGGF-KURKYZTESA-N 2 1 357.502 1.200 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC=C)CC1 ZINC001131515560 940680925 /nfs/dbraw/zinc/68/09/25/940680925.db2.gz RWPPMEYFFUERTC-AABGKKOBSA-N 2 1 359.514 1.646 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCC=C)CC1 ZINC001131515560 940680933 /nfs/dbraw/zinc/68/09/33/940680933.db2.gz RWPPMEYFFUERTC-AABGKKOBSA-N 2 1 359.514 1.646 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001086720799 941620126 /nfs/dbraw/zinc/62/01/26/941620126.db2.gz OUCLYXVLKOEFAF-UHOSZYNNSA-N 2 1 355.486 1.257 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC001086720799 941620128 /nfs/dbraw/zinc/62/01/28/941620128.db2.gz OUCLYXVLKOEFAF-UHOSZYNNSA-N 2 1 355.486 1.257 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000818595752 943326911 /nfs/dbraw/zinc/32/69/11/943326911.db2.gz MNFRHTMHDPLBNU-UHFFFAOYSA-N 2 1 357.498 1.576 20 30 FDEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(=O)N(C)CCC#N)C2)ccn1 ZINC000856585213 971236135 /nfs/dbraw/zinc/23/61/35/971236135.db2.gz AZLHZUGHPGYIPL-LJQANCHMSA-N 2 1 373.501 1.749 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)ccn1 ZINC000856585213 971236144 /nfs/dbraw/zinc/23/61/44/971236144.db2.gz AZLHZUGHPGYIPL-LJQANCHMSA-N 2 1 373.501 1.749 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)ccn1 ZINC000856585213 971236152 /nfs/dbraw/zinc/23/61/52/971236152.db2.gz AZLHZUGHPGYIPL-LJQANCHMSA-N 2 1 373.501 1.749 20 30 FDEDMP C=CC[C@@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823888512 946500637 /nfs/dbraw/zinc/50/06/37/946500637.db2.gz PDTIBUJJNZQGBO-MRXNPFEDSA-N 2 1 356.474 1.605 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cnsn3)C2)CC1 ZINC001086882121 952913287 /nfs/dbraw/zinc/91/32/87/952913287.db2.gz AWQXZOQHAUMTKI-GOEBONIOSA-N 2 1 361.515 1.258 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc(C)o3)C2)CC1 ZINC001086882316 952913924 /nfs/dbraw/zinc/91/39/24/952913924.db2.gz LIXFTTQTSPYGSP-DOTOQJQBSA-N 2 1 359.474 1.098 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086997277 953039961 /nfs/dbraw/zinc/03/99/61/953039961.db2.gz WAIUPHZRJYTNIJ-AYOQOUSVSA-N 2 1 368.485 1.258 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939047 971997605 /nfs/dbraw/zinc/99/76/05/971997605.db2.gz DITLBFJIKVQSBA-RCCFBDPRSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939047 971997607 /nfs/dbraw/zinc/99/76/07/971997607.db2.gz DITLBFJIKVQSBA-RCCFBDPRSA-N 2 1 353.507 1.005 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092272597 954653819 /nfs/dbraw/zinc/65/38/19/954653819.db2.gz GXYOYXQYLOPMKG-SJBKTWHCSA-N 2 1 351.494 1.770 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092272597 954653821 /nfs/dbraw/zinc/65/38/21/954653821.db2.gz GXYOYXQYLOPMKG-SJBKTWHCSA-N 2 1 351.494 1.770 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092272597 954653828 /nfs/dbraw/zinc/65/38/28/954653828.db2.gz GXYOYXQYLOPMKG-SJBKTWHCSA-N 2 1 351.494 1.770 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cnoc4C)C[C@@]3(C)C2)CC1 ZINC001092299603 954745483 /nfs/dbraw/zinc/74/54/83/954745483.db2.gz CUEAZFNILZDCPW-CTNGQTDRSA-N 2 1 370.497 1.609 20 30 FDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nccn12 ZINC001092371168 955041586 /nfs/dbraw/zinc/04/15/86/955041586.db2.gz XMCXPFFUBMUGPV-ZACQAIPSSA-N 2 1 357.502 1.761 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206506 972149075 /nfs/dbraw/zinc/14/90/75/972149075.db2.gz QELWSBBKUPEPSJ-BMGDILEWSA-N 2 1 355.442 1.397 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206506 972149079 /nfs/dbraw/zinc/14/90/79/972149079.db2.gz QELWSBBKUPEPSJ-BMGDILEWSA-N 2 1 355.442 1.397 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccns3)C[C@H]2C)CC1 ZINC001093223637 957853317 /nfs/dbraw/zinc/85/33/17/957853317.db2.gz FGCRHGIVOFMVHF-NVXWUHKLSA-N 2 1 360.527 1.672 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C3CC3)o2)[C@H](C)C1 ZINC001093833126 958928167 /nfs/dbraw/zinc/92/81/67/958928167.db2.gz SXBRMFKYKFGJKE-NXHRZFHOSA-N 2 1 370.497 1.834 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C3CC3)o2)[C@H](C)C1 ZINC001093833126 958928168 /nfs/dbraw/zinc/92/81/68/958928168.db2.gz SXBRMFKYKFGJKE-NXHRZFHOSA-N 2 1 370.497 1.834 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001183402408 963013405 /nfs/dbraw/zinc/01/34/05/963013405.db2.gz HSIHXCHICRSVDF-BZUAXINKSA-N 2 1 359.474 1.128 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189152009 966798005 /nfs/dbraw/zinc/79/80/05/966798005.db2.gz XPLHHBKSDRZELJ-LEWJYISDSA-N 2 1 371.525 1.896 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189152009 966798012 /nfs/dbraw/zinc/79/80/12/966798012.db2.gz XPLHHBKSDRZELJ-LEWJYISDSA-N 2 1 371.525 1.896 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189152009 966798019 /nfs/dbraw/zinc/79/80/19/966798019.db2.gz XPLHHBKSDRZELJ-LEWJYISDSA-N 2 1 371.525 1.896 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCc3ccccc3)[C@@H]2C1 ZINC001189152009 966798027 /nfs/dbraw/zinc/79/80/27/966798027.db2.gz XPLHHBKSDRZELJ-LEWJYISDSA-N 2 1 371.525 1.896 20 30 FDEDMP C#CCC[N@@H+](CCOC)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000852752522 967578385 /nfs/dbraw/zinc/57/83/85/967578385.db2.gz BGQFKVTXEMHLSF-UHFFFAOYSA-N 2 1 372.513 1.739 20 30 FDEDMP C#CCC[N@H+](CCOC)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000852752522 967578395 /nfs/dbraw/zinc/57/83/95/967578395.db2.gz BGQFKVTXEMHLSF-UHFFFAOYSA-N 2 1 372.513 1.739 20 30 FDEDMP CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852871882 967677651 /nfs/dbraw/zinc/67/76/51/967677651.db2.gz DECFWWUSYFOSSS-NHCUHLMSSA-N 2 1 369.509 1.785 20 30 FDEDMP CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852871882 967677656 /nfs/dbraw/zinc/67/76/56/967677656.db2.gz DECFWWUSYFOSSS-NHCUHLMSSA-N 2 1 369.509 1.785 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000852871904 967678131 /nfs/dbraw/zinc/67/81/31/967678131.db2.gz DTMNVWYHEHVYGY-SFHVURJKSA-N 2 1 371.481 1.397 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C#CC3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000852871904 967678139 /nfs/dbraw/zinc/67/81/39/967678139.db2.gz DTMNVWYHEHVYGY-SFHVURJKSA-N 2 1 371.481 1.397 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001193066261 969446234 /nfs/dbraw/zinc/44/62/34/969446234.db2.gz FFOKGYXJNGMETC-QZTJIDSGSA-N 2 1 365.522 1.190 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194603439 970270771 /nfs/dbraw/zinc/27/07/71/970270771.db2.gz DAHYOZWZBOHJDR-ZTFGCOKTSA-N 2 1 355.442 1.397 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001194996802 970595891 /nfs/dbraw/zinc/59/58/91/970595891.db2.gz HLGWTLYSNDIJGM-QZTJIDSGSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996802 970595899 /nfs/dbraw/zinc/59/58/99/970595899.db2.gz HLGWTLYSNDIJGM-QZTJIDSGSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001194996802 970595910 /nfs/dbraw/zinc/59/59/10/970595910.db2.gz HLGWTLYSNDIJGM-QZTJIDSGSA-N 2 1 353.507 1.005 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000858493770 982077871 /nfs/dbraw/zinc/07/78/71/982077871.db2.gz GVGWIDOJHGNNCI-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000858493770 982077884 /nfs/dbraw/zinc/07/78/84/982077884.db2.gz GVGWIDOJHGNNCI-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000858493770 982077894 /nfs/dbraw/zinc/07/78/94/982077894.db2.gz GVGWIDOJHGNNCI-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000858493770 982077903 /nfs/dbraw/zinc/07/79/03/982077903.db2.gz GVGWIDOJHGNNCI-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884227512 983001652 /nfs/dbraw/zinc/00/16/52/983001652.db2.gz RGDSUEQJTKPIPW-XTBIFASLSA-N 2 1 352.482 1.859 20 30 FDEDMP C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000886361720 986099814 /nfs/dbraw/zinc/09/98/14/986099814.db2.gz SQFFDIKISSUOPX-AZUAARDMSA-N 2 1 369.509 1.869 20 30 FDEDMP C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000886361720 986099832 /nfs/dbraw/zinc/09/98/32/986099832.db2.gz SQFFDIKISSUOPX-AZUAARDMSA-N 2 1 369.509 1.869 20 30 FDEDMP C#CCN(C(=O)c1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000886581316 986383394 /nfs/dbraw/zinc/38/33/94/986383394.db2.gz SDXMQSCPMFQAIE-UHFFFAOYSA-N 2 1 368.525 1.604 20 30 FDEDMP C#CCN(C(=O)CN1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000886582358 986385112 /nfs/dbraw/zinc/38/51/12/986385112.db2.gz RKQZOFIBCAERNJ-UHFFFAOYSA-N 2 1 368.525 1.360 20 30 FDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C1 ZINC000363540293 989280799 /nfs/dbraw/zinc/28/07/99/989280799.db2.gz UTKNHWHJBDYAND-LJQANCHMSA-N 2 1 355.486 1.599 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000370026260 989396776 /nfs/dbraw/zinc/39/67/76/989396776.db2.gz LXQIFCPIOFUMKT-OAQYLSRUSA-N 2 1 355.482 1.830 20 30 FDEDMP N#Cc1ccc(N2C(=O)C[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)C2=O)cc1 ZINC000364274804 989526972 /nfs/dbraw/zinc/52/69/72/989526972.db2.gz YDGHOBGWEYCWFY-WNHJNPCNSA-N 2 1 364.449 1.606 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000373224283 992031387 /nfs/dbraw/zinc/03/13/87/992031387.db2.gz RMFLZOKQEHFFMC-RTWAWAEBSA-N 2 1 354.498 1.975 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000373224283 992031398 /nfs/dbraw/zinc/03/13/98/992031398.db2.gz RMFLZOKQEHFFMC-RTWAWAEBSA-N 2 1 354.498 1.975 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000876755019 992877293 /nfs/dbraw/zinc/87/72/93/992877293.db2.gz IITYZDWGOGJPCN-INIZCTEOSA-N 2 1 370.925 1.249 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000876779994 992905064 /nfs/dbraw/zinc/90/50/64/992905064.db2.gz AKDNJBCRZBHHEB-DOTOQJQBSA-N 2 1 350.894 1.783 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000876872625 992943034 /nfs/dbraw/zinc/94/30/34/992943034.db2.gz IMFPZBURRCPPLW-QGZVFWFLSA-N 2 1 366.893 1.602 20 30 FDEDMP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000878485449 993979359 /nfs/dbraw/zinc/97/93/59/993979359.db2.gz OHFUZBGNCWDVNF-GQSCTRQFSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000878485449 993979363 /nfs/dbraw/zinc/97/93/63/993979363.db2.gz OHFUZBGNCWDVNF-GQSCTRQFSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000878485449 993979368 /nfs/dbraw/zinc/97/93/68/993979368.db2.gz OHFUZBGNCWDVNF-GQSCTRQFSA-N 2 1 357.498 1.964 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](CC(C[N@@H+]2CC[C@@](O)(CC#N)C2)C2CCCC2)C1 ZINC000878762326 994204998 /nfs/dbraw/zinc/20/49/98/994204998.db2.gz YIYDJCDWKPWKSX-PMACEKPBSA-N 2 1 360.502 1.494 20 30 FDEDMP COCC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)CC1CC[NH+](C)CC1 ZINC000879125711 994559505 /nfs/dbraw/zinc/55/95/05/994559505.db2.gz GPQYTMHRSWOOPW-SFHVURJKSA-N 2 1 353.507 1.348 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143492 997412664 /nfs/dbraw/zinc/41/26/64/997412664.db2.gz XDKLQNWJRKKMNB-IRXDYDNUSA-N 2 1 363.506 1.350 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CCOC)CC2CC[NH+](C)CC2)C1 ZINC000890361522 998913856 /nfs/dbraw/zinc/91/38/56/998913856.db2.gz SWFFVXYVVKNDCS-SFHVURJKSA-N 2 1 350.507 1.084 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCOC)CC2CC[NH+](C)CC2)C1 ZINC000890361522 998913859 /nfs/dbraw/zinc/91/38/59/998913859.db2.gz SWFFVXYVVKNDCS-SFHVURJKSA-N 2 1 350.507 1.084 20 30 FDEDMP C=CCNC(=O)C[N@@H+](CC)CCCC1CC[NH+](CC(=O)NCC=C)CC1 ZINC000270802853 999616864 /nfs/dbraw/zinc/61/68/64/999616864.db2.gz APRGHFYQQRYNKJ-UHFFFAOYSA-N 2 1 364.534 1.405 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000271686783 999725058 /nfs/dbraw/zinc/72/50/58/999725058.db2.gz QMDWDCOHQARBSW-APWZRJJASA-N 2 1 358.486 1.682 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287012957 999954012 /nfs/dbraw/zinc/95/40/12/999954012.db2.gz FWMCPPLLEXFEIY-NVXWUHKLSA-N 2 1 361.490 1.386 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnc(OC)c(C#N)c1 ZINC000932512343 1004995327 /nfs/dbraw/zinc/99/53/27/1004995327.db2.gz WOVFKYCNDNEYGH-QGZVFWFLSA-N 2 1 374.489 1.842 20 30 FDEDMP C=CCn1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000648814683 1008648976 /nfs/dbraw/zinc/64/89/76/1008648976.db2.gz NPBBVIIJMDNFMC-UHFFFAOYSA-N 2 1 374.533 1.732 20 30 FDEDMP CC[C@H](CNC(NCCN1CCOCC1)=[NH+]C)[N@@H+]1CCc2ccccc2C1 ZINC000303877441 1009647632 /nfs/dbraw/zinc/64/76/32/1009647632.db2.gz FGSGKWCNDHMYAD-HXUWFJFHSA-N 2 1 373.545 1.321 20 30 FDEDMP CC[C@H](CNC(NCCN1CCOCC1)=[NH+]C)[N@H+]1CCc2ccccc2C1 ZINC000303877441 1009647642 /nfs/dbraw/zinc/64/76/42/1009647642.db2.gz FGSGKWCNDHMYAD-HXUWFJFHSA-N 2 1 373.545 1.321 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000303902485 1009685663 /nfs/dbraw/zinc/68/56/63/1009685663.db2.gz UBNWLGOTEQLSJK-FQEVSTJZSA-N 3 1 372.561 1.587 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCN(c2ccccc2)CC1 ZINC000303902485 1009685667 /nfs/dbraw/zinc/68/56/67/1009685667.db2.gz UBNWLGOTEQLSJK-FQEVSTJZSA-N 2 1 372.561 1.587 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCN(c2ccccc2)CC1 ZINC000303902485 1009685672 /nfs/dbraw/zinc/68/56/72/1009685672.db2.gz UBNWLGOTEQLSJK-FQEVSTJZSA-N 2 1 372.561 1.587 20 30 FDEDMP C[NH+](C)CCCNC(=S)NN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779778050 1011001800 /nfs/dbraw/zinc/00/18/00/1011001800.db2.gz YRNKAQAGXSNKCI-UHFFFAOYSA-N 2 1 353.458 1.806 20 30 FDEDMP C[NH+]=C(NCc1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083134107 1011798781 /nfs/dbraw/zinc/79/87/81/1011798781.db2.gz QCMHFCPXBWWSQZ-MRXNPFEDSA-N 2 1 355.486 1.715 20 30 FDEDMP C[NH+]=C(NCc1ccc(N2CCCC2=O)cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083134107 1011798793 /nfs/dbraw/zinc/79/87/93/1011798793.db2.gz QCMHFCPXBWWSQZ-MRXNPFEDSA-N 2 1 355.486 1.715 20 30 FDEDMP C[N@@H+](CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000264909140 179237019 /nfs/dbraw/zinc/23/70/19/179237019.db2.gz WNGHLLLMDVJIEF-UHFFFAOYSA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+](CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000264909140 179237024 /nfs/dbraw/zinc/23/70/24/179237024.db2.gz WNGHLLLMDVJIEF-UHFFFAOYSA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+](CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000264909140 179237027 /nfs/dbraw/zinc/23/70/27/179237027.db2.gz WNGHLLLMDVJIEF-UHFFFAOYSA-N 2 1 355.486 1.870 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000553343038 543613505 /nfs/dbraw/zinc/61/35/05/543613505.db2.gz AWXXSPKLVQRFAU-UHFFFAOYSA-N 2 1 350.507 1.134 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)C(C)C ZINC000556205646 544117553 /nfs/dbraw/zinc/11/75/53/544117553.db2.gz GKSOMEBRZWGLJW-ROUUACIJSA-N 2 1 364.534 1.354 20 30 FDEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000556963798 544225756 /nfs/dbraw/zinc/22/57/56/544225756.db2.gz IXRDRCSWHKCEFS-UXHICEINSA-N 2 1 370.497 1.972 20 30 FDEDMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333805155 259383451 /nfs/dbraw/zinc/38/34/51/259383451.db2.gz IKMDOWOTUPTIAN-VQIMIIECSA-N 2 1 355.486 1.916 20 30 FDEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCN(c3ncccc3C#N)CC2)CC1 ZINC000369190468 260309479 /nfs/dbraw/zinc/30/94/79/260309479.db2.gz YRORIXUEIHVBNP-UHFFFAOYSA-N 2 1 370.545 1.881 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nccn1CCc1ccccc1 ZINC000081525219 524141229 /nfs/dbraw/zinc/14/12/29/524141229.db2.gz UGFBVQRWCUAMEF-UHFFFAOYSA-N 2 1 370.501 1.252 20 30 FDEDMP C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158235509 524427040 /nfs/dbraw/zinc/42/70/40/524427040.db2.gz ILJSQYIYWVKDSK-AAEUAGOBSA-N 2 1 360.428 1.833 20 30 FDEDMP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158415509 524464353 /nfs/dbraw/zinc/46/43/53/524464353.db2.gz IVJWUEDACPGSOB-WBVHZDCISA-N 2 1 355.490 1.661 20 30 FDEDMP CN1CCN([C@@H]2CCCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000174889368 524780698 /nfs/dbraw/zinc/78/06/98/524780698.db2.gz OLUGFMUUDAVAHM-UXHICEINSA-N 2 1 372.513 1.400 20 30 FDEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000174889368 524780710 /nfs/dbraw/zinc/78/07/10/524780710.db2.gz OLUGFMUUDAVAHM-UXHICEINSA-N 2 1 372.513 1.400 20 30 FDEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000174889368 524780721 /nfs/dbraw/zinc/78/07/21/524780721.db2.gz OLUGFMUUDAVAHM-UXHICEINSA-N 2 1 372.513 1.400 20 30 FDEDMP Cc1ccc(-c2nc(CCNC(=[NH2+])NCCC[NH+]3CCOCC3)co2)cc1 ZINC000104190931 525400681 /nfs/dbraw/zinc/40/06/81/525400681.db2.gz LZUUPJYKKBBUIC-UHFFFAOYSA-N 2 1 371.485 1.819 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(Br)cc1 ZINC000178562894 525444511 /nfs/dbraw/zinc/44/45/11/525444511.db2.gz DVZFPNLEONVROF-UHFFFAOYSA-N 2 1 369.307 1.618 20 30 FDEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000109752785 526173529 /nfs/dbraw/zinc/17/35/29/526173529.db2.gz IUZXQLQDLIEPCV-IBGZPJMESA-N 2 1 369.513 1.989 20 30 FDEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000109752785 526173536 /nfs/dbraw/zinc/17/35/36/526173536.db2.gz IUZXQLQDLIEPCV-IBGZPJMESA-N 2 1 369.513 1.989 20 30 FDEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000109755023 526176374 /nfs/dbraw/zinc/17/63/74/526176374.db2.gz CIZSCSFKODJOAP-UXHICEINSA-N 2 1 372.513 1.400 20 30 FDEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000109755023 526176382 /nfs/dbraw/zinc/17/63/82/526176382.db2.gz CIZSCSFKODJOAP-UXHICEINSA-N 2 1 372.513 1.400 20 30 FDEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000466747424 538567952 /nfs/dbraw/zinc/56/79/52/538567952.db2.gz IYAXPTJXFRLTLY-IBGZPJMESA-N 2 1 352.523 1.864 20 30 FDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000562992779 546345086 /nfs/dbraw/zinc/34/50/86/546345086.db2.gz XWZHQTTZZMZMKG-LJQANCHMSA-N 2 1 361.486 1.777 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000570562203 549325504 /nfs/dbraw/zinc/32/55/04/549325504.db2.gz SAJWDGCEIGLWPR-NSHGMRRFSA-N 2 1 363.550 1.530 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000570562203 549325509 /nfs/dbraw/zinc/32/55/09/549325509.db2.gz SAJWDGCEIGLWPR-NSHGMRRFSA-N 2 1 363.550 1.530 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000592343886 551982595 /nfs/dbraw/zinc/98/25/95/551982595.db2.gz MATCYWAVANLYOX-IBGZPJMESA-N 2 1 365.566 1.598 20 30 FDEDMP N#Cc1ccc(CC[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892607 552629495 /nfs/dbraw/zinc/62/94/95/552629495.db2.gz NRCWGKFBOVLVMC-MOPGFXCFSA-N 2 1 353.470 1.321 20 30 FDEDMP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000596067342 552651839 /nfs/dbraw/zinc/65/18/39/552651839.db2.gz ZIWSZJKEYNRGFA-RTBURBONSA-N 2 1 359.470 1.335 20 30 FDEDMP N#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000596091101 552654138 /nfs/dbraw/zinc/65/41/38/552654138.db2.gz HVZQMYXOMJGMSW-HZPDHXFCSA-N 2 1 352.486 2.250 20 30 FDEDMP N#Cc1ccc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091101 552654140 /nfs/dbraw/zinc/65/41/40/552654140.db2.gz HVZQMYXOMJGMSW-HZPDHXFCSA-N 2 1 352.486 2.250 20 30 FDEDMP N#Cc1ccc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596091101 552654142 /nfs/dbraw/zinc/65/41/42/552654142.db2.gz HVZQMYXOMJGMSW-HZPDHXFCSA-N 2 1 352.486 2.250 20 30 FDEDMP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000602539288 553602354 /nfs/dbraw/zinc/60/23/54/553602354.db2.gz IQDYACXESUSJDJ-INIZCTEOSA-N 2 1 350.507 1.618 20 30 FDEDMP CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000602876211 553657158 /nfs/dbraw/zinc/65/71/58/553657158.db2.gz GAJLGXZDJWDIHU-GOSISDBHSA-N 2 1 361.534 1.096 20 30 FDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)C1 ZINC000261813368 672676553 /nfs/dbraw/zinc/67/65/53/672676553.db2.gz HVFRYHRCISHHIU-MRXNPFEDSA-N 2 1 351.539 1.625 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCO[C@@H](COC)C1 ZINC000261986483 672707044 /nfs/dbraw/zinc/70/70/44/672707044.db2.gz RWLXHJYPMZOBCD-IXDOHACOSA-N 2 1 354.539 1.666 20 30 FDEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCO[C@H](C)C3)CC2)cs1 ZINC000262487108 672797446 /nfs/dbraw/zinc/79/74/46/672797446.db2.gz STZMSHBIONBSRO-CQSZACIVSA-N 2 1 365.547 1.953 20 30 FDEDMP CN(CCC[N@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O)CC[NH+](C)C ZINC000298701058 676489297 /nfs/dbraw/zinc/48/92/97/676489297.db2.gz ZXUUTWLHOZUPSK-INIZCTEOSA-N 2 1 363.531 1.540 20 30 FDEDMP CN(CCC[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O)CC[NH+](C)C ZINC000298701058 676489298 /nfs/dbraw/zinc/48/92/98/676489298.db2.gz ZXUUTWLHOZUPSK-INIZCTEOSA-N 2 1 363.531 1.540 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1csc(-c2ccccc2)n1 ZINC000303789720 676543184 /nfs/dbraw/zinc/54/31/84/676543184.db2.gz VPUIYPYYOALOCI-UHFFFAOYSA-N 2 1 359.499 1.937 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCSCC2)CCCC1 ZINC000303869818 676543311 /nfs/dbraw/zinc/54/33/11/676543311.db2.gz FDKALJUJWIQCRH-INIZCTEOSA-N 3 1 353.580 1.737 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCSCC2)CCCC1 ZINC000303869818 676543312 /nfs/dbraw/zinc/54/33/12/676543312.db2.gz FDKALJUJWIQCRH-INIZCTEOSA-N 2 1 353.580 1.737 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCSCC2)CCCC1 ZINC000303869818 676543314 /nfs/dbraw/zinc/54/33/14/676543314.db2.gz FDKALJUJWIQCRH-INIZCTEOSA-N 2 1 353.580 1.737 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330246136 676680648 /nfs/dbraw/zinc/68/06/48/676680648.db2.gz YBCFUMWOVZKMAG-KZNAEPCWSA-N 2 1 352.523 1.694 20 30 FDEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330249051 676680889 /nfs/dbraw/zinc/68/08/89/676680889.db2.gz ZQYGUUPAJCTXRO-VDHUWJSZSA-N 2 1 350.507 1.447 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000371287745 677658214 /nfs/dbraw/zinc/65/82/14/677658214.db2.gz SJDDFSAGOISLTF-ZWKOTPCHSA-N 2 1 350.507 1.579 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000371287745 677658218 /nfs/dbraw/zinc/65/82/18/677658218.db2.gz SJDDFSAGOISLTF-ZWKOTPCHSA-N 2 1 350.507 1.579 20 30 FDEDMP COc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(F)cc1C#N ZINC001164679424 719636294 /nfs/dbraw/zinc/63/62/94/719636294.db2.gz AFOYKJWHQABVHL-UHFFFAOYSA-N 2 1 358.421 1.773 20 30 FDEDMP COc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(F)cc1C#N ZINC001164679424 719636299 /nfs/dbraw/zinc/63/62/99/719636299.db2.gz AFOYKJWHQABVHL-UHFFFAOYSA-N 2 1 358.421 1.773 20 30 FDEDMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969705470 770695359 /nfs/dbraw/zinc/69/53/59/770695359.db2.gz ZSGFJZCJDFYFAY-HBUWYVDXSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969705470 770695364 /nfs/dbraw/zinc/69/53/64/770695364.db2.gz ZSGFJZCJDFYFAY-HBUWYVDXSA-N 2 1 358.461 1.974 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cccn2)C1 ZINC001104306109 774439547 /nfs/dbraw/zinc/43/95/47/774439547.db2.gz LEFMSVOKKKBTGX-QRVBRYPASA-N 2 1 357.502 1.055 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cccn2)C1 ZINC001104306109 774439550 /nfs/dbraw/zinc/43/95/50/774439550.db2.gz LEFMSVOKKKBTGX-QRVBRYPASA-N 2 1 357.502 1.055 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001022277115 779087952 /nfs/dbraw/zinc/08/79/52/779087952.db2.gz WDMRAUCAFVUTEC-GMLZMKKNSA-N 2 1 360.433 1.153 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)O1 ZINC001022277115 779087959 /nfs/dbraw/zinc/08/79/59/779087959.db2.gz WDMRAUCAFVUTEC-GMLZMKKNSA-N 2 1 360.433 1.153 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NCCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000277280052 781310416 /nfs/dbraw/zinc/31/04/16/781310416.db2.gz JZDNGCFPSAQNGO-OAHLLOKOSA-N 2 1 364.490 1.609 20 30 FDEDMP N#Cc1cccc(C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)c1 ZINC001083248858 783471382 /nfs/dbraw/zinc/47/13/82/783471382.db2.gz APZJGQUVELTDHW-RBUKOAKNSA-N 2 1 366.465 1.066 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)c1 ZINC001083248858 783471389 /nfs/dbraw/zinc/47/13/89/783471389.db2.gz APZJGQUVELTDHW-RBUKOAKNSA-N 2 1 366.465 1.066 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098609950 794132866 /nfs/dbraw/zinc/13/28/66/794132866.db2.gz GVLJEESJHXPESN-FGTMMUONSA-N 2 1 365.518 1.364 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098609950 794132871 /nfs/dbraw/zinc/13/28/71/794132871.db2.gz GVLJEESJHXPESN-FGTMMUONSA-N 2 1 365.518 1.364 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499599026 795651273 /nfs/dbraw/zinc/65/12/73/795651273.db2.gz FORFNVGOPJTEMV-ZIFCJYIRSA-N 2 1 365.518 1.364 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499599026 795651279 /nfs/dbraw/zinc/65/12/79/795651279.db2.gz FORFNVGOPJTEMV-ZIFCJYIRSA-N 2 1 365.518 1.364 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)c(F)c3)C2)CC[N@H+]1C ZINC001026853183 800008865 /nfs/dbraw/zinc/00/88/65/800008865.db2.gz ZRUUNBOFGRMUEV-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[N@@H+](CCN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1)Cc1ccccc1 ZINC000424139939 815316625 /nfs/dbraw/zinc/31/66/25/815316625.db2.gz AQRXWOSNTLBVNW-IBGZPJMESA-N 2 1 357.502 1.284 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000664019832 810180676 /nfs/dbraw/zinc/18/06/76/810180676.db2.gz NEOMGZMGCMECOV-QZTJIDSGSA-N 2 1 362.518 1.579 20 30 FDEDMP CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261800533 811321982 /nfs/dbraw/zinc/32/19/82/811321982.db2.gz RRJAPFHKOKNWGM-KRWDZBQOSA-N 2 1 374.485 1.535 20 30 FDEDMP C#Cc1cccc(NC(=O)CNC(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)=[NH+]C)c1 ZINC000261962818 811354873 /nfs/dbraw/zinc/35/48/73/811354873.db2.gz KQIVEHFRWHBENU-KSSFIOAISA-N 2 1 353.470 1.254 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262020385 811369581 /nfs/dbraw/zinc/36/95/81/811369581.db2.gz YPJNSCSMFDSLJN-KSSFIOAISA-N 2 1 367.501 1.723 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030673 814258042 /nfs/dbraw/zinc/25/80/42/814258042.db2.gz ROSTWVFPHCZCOI-YLJYHZDGSA-N 2 1 369.513 1.845 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000272992815 814785442 /nfs/dbraw/zinc/78/54/42/814785442.db2.gz SYXZCCGNEDZZLE-RBUKOAKNSA-N 3 1 359.518 1.142 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272992815 814785443 /nfs/dbraw/zinc/78/54/43/814785443.db2.gz SYXZCCGNEDZZLE-RBUKOAKNSA-N 3 1 359.518 1.142 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272992815 814785444 /nfs/dbraw/zinc/78/54/44/814785444.db2.gz SYXZCCGNEDZZLE-RBUKOAKNSA-N 3 1 359.518 1.142 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C(F)(F)F ZINC001112131316 814828158 /nfs/dbraw/zinc/82/81/58/814828158.db2.gz WCUZDRNLEVQXMI-UKRRQHHQSA-N 2 1 368.403 1.764 20 30 FDEDMP C=CCn1cc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)nn1 ZINC000425870569 816622384 /nfs/dbraw/zinc/62/23/84/816622384.db2.gz HHYXOMQXWVBZPU-QGZVFWFLSA-N 2 1 363.510 1.022 20 30 FDEDMP CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261961407 817801643 /nfs/dbraw/zinc/80/16/43/817801643.db2.gz KIBQBJQRAZIWNB-NYSBEXSLSA-N 2 1 356.514 1.858 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894639669 818274916 /nfs/dbraw/zinc/27/49/16/818274916.db2.gz QWEVRWLQDFNUKW-SJORKVTESA-N 2 1 365.518 1.994 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894639669 818274925 /nfs/dbraw/zinc/27/49/25/818274925.db2.gz QWEVRWLQDFNUKW-SJORKVTESA-N 2 1 365.518 1.994 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccnc3C)[C@@H]2CC)CC1 ZINC001087840407 822559581 /nfs/dbraw/zinc/55/95/81/822559581.db2.gz WLRYPJHRPNMVIA-AZUAARDMSA-N 2 1 369.513 1.599 20 30 FDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973076 824304175 /nfs/dbraw/zinc/30/41/75/824304175.db2.gz IIOCJYZYQSDAPF-GJYPPUQNSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973076 824304181 /nfs/dbraw/zinc/30/41/81/824304181.db2.gz IIOCJYZYQSDAPF-GJYPPUQNSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973076 824304185 /nfs/dbraw/zinc/30/41/85/824304185.db2.gz IIOCJYZYQSDAPF-GJYPPUQNSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973076 824304192 /nfs/dbraw/zinc/30/41/92/824304192.db2.gz IIOCJYZYQSDAPF-GJYPPUQNSA-N 2 1 355.486 1.594 20 30 FDEDMP C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)CN1CCOCC1 ZINC000330204363 825731939 /nfs/dbraw/zinc/73/19/39/825731939.db2.gz BNRZGFUUPURXED-IAGOWNOFSA-N 2 1 368.522 1.054 20 30 FDEDMP C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C[NH+]1CCOCC1 ZINC000330204363 825731952 /nfs/dbraw/zinc/73/19/52/825731952.db2.gz BNRZGFUUPURXED-IAGOWNOFSA-N 2 1 368.522 1.054 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528431889 829400875 /nfs/dbraw/zinc/40/08/75/829400875.db2.gz NTHBTUZXIGEBFX-RLLQIKCJSA-N 2 1 372.513 1.256 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528431889 829400877 /nfs/dbraw/zinc/40/08/77/829400877.db2.gz NTHBTUZXIGEBFX-RLLQIKCJSA-N 2 1 372.513 1.256 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@H+]3CCCO)CC2)cc1 ZINC000449389303 829480446 /nfs/dbraw/zinc/48/04/46/829480446.db2.gz RVDFRKISWURWNI-NRFANRHFSA-N 2 1 356.514 1.959 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@@H+]3CCCO)CC2)cc1 ZINC000449389303 829480451 /nfs/dbraw/zinc/48/04/51/829480451.db2.gz RVDFRKISWURWNI-NRFANRHFSA-N 2 1 356.514 1.959 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)C ZINC000729592914 830134712 /nfs/dbraw/zinc/13/47/12/830134712.db2.gz NXKOUWOLLOBFLO-CEXWTWQISA-N 2 1 364.534 1.847 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001088571526 834838623 /nfs/dbraw/zinc/83/86/23/834838623.db2.gz DHNGYMFJPUWCQL-XPGWFJOJSA-N 2 1 352.482 1.979 20 30 FDEDMP CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000246003852 835791649 /nfs/dbraw/zinc/79/16/49/835791649.db2.gz JNRCOJYFDHAJMI-QYZOEREBSA-N 2 1 361.534 1.095 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637624 842272935 /nfs/dbraw/zinc/27/29/35/842272935.db2.gz STTLYDMMCJTHRY-UKAVVXHISA-N 2 1 361.530 1.460 20 30 FDEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105655780 842479041 /nfs/dbraw/zinc/47/90/41/842479041.db2.gz KXQUCGNXRMYINP-PLOVASNDSA-N 2 1 363.546 1.564 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076457479 848179485 /nfs/dbraw/zinc/17/94/85/848179485.db2.gz FQUODGCSWGTHEN-SLFFLAALSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076457479 848179495 /nfs/dbraw/zinc/17/94/95/848179495.db2.gz FQUODGCSWGTHEN-SLFFLAALSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076457479 848179504 /nfs/dbraw/zinc/17/95/04/848179504.db2.gz FQUODGCSWGTHEN-SLFFLAALSA-N 2 1 352.482 1.933 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CCC)CC1 ZINC000669336929 863010566 /nfs/dbraw/zinc/01/05/66/863010566.db2.gz XFTOVHVSXFFDEU-MSOLQXFVSA-N 2 1 374.533 1.922 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001033183613 881684986 /nfs/dbraw/zinc/68/49/86/881684986.db2.gz COYXTHLHWVTOHI-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@H]2CCN(Cc3ccccc3C#N)C2)O1 ZINC001033183613 881684992 /nfs/dbraw/zinc/68/49/92/881684992.db2.gz COYXTHLHWVTOHI-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C#CCN(C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000913976928 870188636 /nfs/dbraw/zinc/18/86/36/870188636.db2.gz BESXNTFBAXEWLD-CALCHBBNSA-N 2 1 364.534 1.613 20 30 FDEDMP C#CCN(C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000913976928 870188643 /nfs/dbraw/zinc/18/86/43/870188643.db2.gz BESXNTFBAXEWLD-CALCHBBNSA-N 2 1 364.534 1.613 20 30 FDEDMP C=CCN1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004262 884993898 /nfs/dbraw/zinc/99/38/98/884993898.db2.gz NUTDAYUQGHOHBS-OAGGEKHMSA-N 2 1 357.462 1.216 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030343 885349822 /nfs/dbraw/zinc/34/98/22/885349822.db2.gz WHNGDUTYWFCBKU-BBWFWOEESA-N 2 1 366.485 1.266 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129048415 885531247 /nfs/dbraw/zinc/53/12/47/885531247.db2.gz BOYUUYDVTVMNIS-ZACQAIPSSA-N 2 1 360.506 1.459 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257604 886932079 /nfs/dbraw/zinc/93/20/79/886932079.db2.gz LCHDBQWIRCJFBY-KURKYZTESA-N 2 1 362.522 1.706 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000923321624 888901293 /nfs/dbraw/zinc/90/12/93/888901293.db2.gz GHCBZKKEKSYBJH-QZTJIDSGSA-N 2 1 360.502 1.027 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000923408689 889174139 /nfs/dbraw/zinc/17/41/39/889174139.db2.gz FDBYFAQMRYOVQT-IBGZPJMESA-N 2 1 370.497 1.666 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000923408689 889174149 /nfs/dbraw/zinc/17/41/49/889174149.db2.gz FDBYFAQMRYOVQT-IBGZPJMESA-N 2 1 370.497 1.666 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295455 889936474 /nfs/dbraw/zinc/93/64/74/889936474.db2.gz QROLOGNPYLWKSK-KBAYOESNSA-N 2 1 363.506 1.228 20 30 FDEDMP C=CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107510 896967322 /nfs/dbraw/zinc/96/73/22/896967322.db2.gz SEQFEYQJJLXGQK-BHIYHBOVSA-N 2 1 371.529 1.782 20 30 FDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240740 902190321 /nfs/dbraw/zinc/19/03/21/902190321.db2.gz ARKSXXLCQNZEFM-IPMKNSEASA-N 2 1 361.530 1.985 20 30 FDEDMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21)C1CC1 ZINC001084406708 914627024 /nfs/dbraw/zinc/62/70/24/914627024.db2.gz WZOWGKFHTRNNDO-AQNXPRMDSA-N 2 1 352.482 1.931 20 30 FDEDMP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]21)C1CC1 ZINC001084406708 914627034 /nfs/dbraw/zinc/62/70/34/914627034.db2.gz WZOWGKFHTRNNDO-AQNXPRMDSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001079494511 902709200 /nfs/dbraw/zinc/70/92/00/902709200.db2.gz GOFWAOTYGCPHFG-ATZDWAIDSA-N 2 1 356.470 1.620 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001079494511 902709211 /nfs/dbraw/zinc/70/92/11/902709211.db2.gz GOFWAOTYGCPHFG-ATZDWAIDSA-N 2 1 356.470 1.620 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001079494511 902709220 /nfs/dbraw/zinc/70/92/20/902709220.db2.gz GOFWAOTYGCPHFG-ATZDWAIDSA-N 2 1 356.470 1.620 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C34CCC[NH+]3CCC4)CCC[C@@H]12 ZINC001107461228 905063774 /nfs/dbraw/zinc/06/37/74/905063774.db2.gz AMXJXEDVKVITDN-UYAOXDASSA-N 2 1 359.514 1.625 20 30 FDEDMP CC#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000996777087 905306187 /nfs/dbraw/zinc/30/61/87/905306187.db2.gz SYQGETRTTPYMEU-YNIZLOQISA-N 2 1 360.546 1.395 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2C)CC1 ZINC001080997805 906972362 /nfs/dbraw/zinc/97/23/62/906972362.db2.gz KVADERWJCCKYAO-NSISKUIASA-N 2 1 361.530 1.583 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2OC)CC1 ZINC001082384431 907387847 /nfs/dbraw/zinc/38/78/47/907387847.db2.gz VUPRPXJLEYRZAF-IAGOWNOFSA-N 2 1 369.456 1.192 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2OC)CC1 ZINC001082384203 907389082 /nfs/dbraw/zinc/38/90/82/907389082.db2.gz ISGNHJBCONEGEE-WOJBJXKFSA-N 2 1 370.497 1.051 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2OC)CC1 ZINC001082384203 907389111 /nfs/dbraw/zinc/38/91/11/907389111.db2.gz ISGNHJBCONEGEE-WOJBJXKFSA-N 2 1 370.497 1.051 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001082558420 908599899 /nfs/dbraw/zinc/59/98/99/908599899.db2.gz PKXPESMWRUMVFL-KBRIMQKVSA-N 2 1 355.910 1.819 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC001082568047 908707151 /nfs/dbraw/zinc/70/71/51/908707151.db2.gz USMXWJCBFHSNKU-YSGRDPCXSA-N 2 1 354.498 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C)nc2C)C1 ZINC001082568047 908707159 /nfs/dbraw/zinc/70/71/59/908707159.db2.gz USMXWJCBFHSNKU-YSGRDPCXSA-N 2 1 354.498 1.733 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082590296 908848327 /nfs/dbraw/zinc/84/83/27/908848327.db2.gz NVFTVAFYMWKFCA-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082590296 908848336 /nfs/dbraw/zinc/84/83/36/908848336.db2.gz NVFTVAFYMWKFCA-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)c(F)c3)C2)C1 ZINC001082741768 909941843 /nfs/dbraw/zinc/94/18/43/909941843.db2.gz BLALXXMQTGHSAY-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(C#N)ccc3F)C2)C1 ZINC001082742861 909949332 /nfs/dbraw/zinc/94/93/32/909949332.db2.gz UWKOKILOCFVTIU-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001082920182 910890389 /nfs/dbraw/zinc/89/03/89/910890389.db2.gz UHSQVAIQAAJZRR-QGPMSJSTSA-N 2 1 356.470 1.455 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993249 919367696 /nfs/dbraw/zinc/36/76/96/919367696.db2.gz UZDFRJLWIAYWEG-XFHVWQCUSA-N 2 1 365.905 1.525 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993249 919367705 /nfs/dbraw/zinc/36/77/05/919367705.db2.gz UZDFRJLWIAYWEG-XFHVWQCUSA-N 2 1 365.905 1.525 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993249 919367717 /nfs/dbraw/zinc/36/77/17/919367717.db2.gz UZDFRJLWIAYWEG-XFHVWQCUSA-N 2 1 365.905 1.525 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993249 919367733 /nfs/dbraw/zinc/36/77/33/919367733.db2.gz UZDFRJLWIAYWEG-XFHVWQCUSA-N 2 1 365.905 1.525 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(CC)c1 ZINC001085229956 922983709 /nfs/dbraw/zinc/98/37/09/922983709.db2.gz SMWUFKLPAAZGIA-AQNXPRMDSA-N 2 1 371.529 1.560 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(CC)c1 ZINC001085229956 922983711 /nfs/dbraw/zinc/98/37/11/922983711.db2.gz SMWUFKLPAAZGIA-AQNXPRMDSA-N 2 1 371.529 1.560 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncc(C)cn2)CC1 ZINC001085432908 924681247 /nfs/dbraw/zinc/68/12/47/924681247.db2.gz VVOGNCJRYIXEMV-RTBURBONSA-N 2 1 369.513 1.647 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000743766063 926464005 /nfs/dbraw/zinc/46/40/05/926464005.db2.gz JCULWFVIZCUIFA-OAQYLSRUSA-N 2 1 355.482 1.085 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109560725 929763306 /nfs/dbraw/zinc/76/33/06/929763306.db2.gz OGLFQXUGUAYKFQ-IKGGRYGDSA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109560725 929763313 /nfs/dbraw/zinc/76/33/13/929763313.db2.gz OGLFQXUGUAYKFQ-IKGGRYGDSA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639654 929972927 /nfs/dbraw/zinc/97/29/27/929972927.db2.gz XTLASIDVJVDFNV-VSZNYVQBSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639654 929972930 /nfs/dbraw/zinc/97/29/30/929972930.db2.gz XTLASIDVJVDFNV-VSZNYVQBSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639654 929972933 /nfs/dbraw/zinc/97/29/33/929972933.db2.gz XTLASIDVJVDFNV-VSZNYVQBSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639654 929972938 /nfs/dbraw/zinc/97/29/38/929972938.db2.gz XTLASIDVJVDFNV-VSZNYVQBSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109718722 930236470 /nfs/dbraw/zinc/23/64/70/930236470.db2.gz KMIKZUOYJGEWGS-NBMJBFSESA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109718722 930236474 /nfs/dbraw/zinc/23/64/74/930236474.db2.gz KMIKZUOYJGEWGS-NBMJBFSESA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002633 931045425 /nfs/dbraw/zinc/04/54/25/931045425.db2.gz OELOBCXTWGYABN-YVSFHVDLSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002633 931045435 /nfs/dbraw/zinc/04/54/35/931045435.db2.gz OELOBCXTWGYABN-YVSFHVDLSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129406919 938404000 /nfs/dbraw/zinc/40/40/00/938404000.db2.gz BUMKAIWYBDGGRP-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129406919 938404001 /nfs/dbraw/zinc/40/40/01/938404001.db2.gz BUMKAIWYBDGGRP-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129406919 938404002 /nfs/dbraw/zinc/40/40/02/938404002.db2.gz BUMKAIWYBDGGRP-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001129884654 938538824 /nfs/dbraw/zinc/53/88/24/938538824.db2.gz QHFVYIFHDMBECB-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129918816 938567545 /nfs/dbraw/zinc/56/75/45/938567545.db2.gz KIYBQHGYQZACGM-ZACQAIPSSA-N 2 1 362.522 1.705 20 30 FDEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130074704 938668810 /nfs/dbraw/zinc/66/88/10/938668810.db2.gz FVUYLXCOVBOEKW-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123501 938705722 /nfs/dbraw/zinc/70/57/22/938705722.db2.gz SZCYYXVAQSVIBG-KURKYZTESA-N 2 1 360.506 1.318 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590198 939896021 /nfs/dbraw/zinc/89/60/21/939896021.db2.gz DKZNKFBQYMWGCR-UHOSZYNNSA-N 2 1 357.502 1.200 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCC)C1 ZINC001130610314 939907540 /nfs/dbraw/zinc/90/75/40/939907540.db2.gz IDDZTVVGVVHDTI-SXLOBPIMSA-N 2 1 371.529 1.592 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCCC)C1 ZINC001130610314 939907544 /nfs/dbraw/zinc/90/75/44/939907544.db2.gz IDDZTVVGVVHDTI-SXLOBPIMSA-N 2 1 371.529 1.592 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614684 939912037 /nfs/dbraw/zinc/91/20/37/939912037.db2.gz BDYOSXMTUVHVPS-QXAKKESOSA-N 2 1 359.518 1.755 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130733937 940034333 /nfs/dbraw/zinc/03/43/33/940034333.db2.gz BGMUFZWASYKHPA-QXAKKESOSA-N 2 1 357.502 1.202 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130734648 940035039 /nfs/dbraw/zinc/03/50/39/940035039.db2.gz XVOHXOHMDVFTGQ-UHOSZYNNSA-N 2 1 357.502 1.202 20 30 FDEDMP C=CCCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130804575 940175607 /nfs/dbraw/zinc/17/56/07/940175607.db2.gz LYVBBXVWVULIFH-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131053864 940480624 /nfs/dbraw/zinc/48/06/24/940480624.db2.gz FYFZMNZBXVVDGR-WNRNVDISSA-N 2 1 357.502 1.058 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001131461447 940611581 /nfs/dbraw/zinc/61/15/81/940611581.db2.gz LNAPUWJILQHCDG-QYZOEREBSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461447 940611584 /nfs/dbraw/zinc/61/15/84/940611584.db2.gz LNAPUWJILQHCDG-QYZOEREBSA-N 2 1 365.518 1.269 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001131608594 940788494 /nfs/dbraw/zinc/78/84/94/940788494.db2.gz HNMBDFDMSZBWGW-AABGKKOBSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817786595 942977879 /nfs/dbraw/zinc/97/78/79/942977879.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 2 1 363.550 1.143 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000817786595 942977884 /nfs/dbraw/zinc/97/78/84/942977884.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 2 1 363.550 1.143 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000817786595 942977890 /nfs/dbraw/zinc/97/78/90/942977890.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 2 1 363.550 1.143 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[NH+](C2CCN(CC)CC2)CC1 ZINC000817786595 942977892 /nfs/dbraw/zinc/97/78/92/942977892.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 2 1 363.550 1.143 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[NH+](C2CCN(CC)CC2)CC1 ZINC000817786595 942977895 /nfs/dbraw/zinc/97/78/95/942977895.db2.gz ZKHHCMYNIIKLFQ-UHFFFAOYSA-N 2 1 363.550 1.143 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000819335271 943531015 /nfs/dbraw/zinc/53/10/15/943531015.db2.gz UPNORSQTNHVCBD-UHFFFAOYSA-N 2 1 356.470 1.687 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000819335271 943531020 /nfs/dbraw/zinc/53/10/20/943531020.db2.gz UPNORSQTNHVCBD-UHFFFAOYSA-N 2 1 356.470 1.687 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856635723 971277059 /nfs/dbraw/zinc/27/70/59/971277059.db2.gz UPTOFHUDNRTDRI-PMACEKPBSA-N 2 1 370.497 1.611 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856635723 971277063 /nfs/dbraw/zinc/27/70/63/971277063.db2.gz UPTOFHUDNRTDRI-PMACEKPBSA-N 2 1 370.497 1.611 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856635723 971277070 /nfs/dbraw/zinc/27/70/70/971277070.db2.gz UPTOFHUDNRTDRI-PMACEKPBSA-N 2 1 370.497 1.611 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856635723 971277074 /nfs/dbraw/zinc/27/70/74/971277074.db2.gz UPTOFHUDNRTDRI-PMACEKPBSA-N 2 1 370.497 1.611 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1ccc(OC)cc1 ZINC001090872105 947439469 /nfs/dbraw/zinc/43/94/69/947439469.db2.gz FTIOTLAPXZGBLW-UWHLTILDSA-N 2 1 369.509 1.943 20 30 FDEDMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196116336 971487197 /nfs/dbraw/zinc/48/71/97/971487197.db2.gz XLYCAJKJFUQZPH-GUDVDZBRSA-N 2 1 358.486 1.340 20 30 FDEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)[NH+](CC)CC ZINC001196116336 971487201 /nfs/dbraw/zinc/48/72/01/971487201.db2.gz XLYCAJKJFUQZPH-GUDVDZBRSA-N 2 1 358.486 1.340 20 30 FDEDMP C=C(Br)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001091096290 949311340 /nfs/dbraw/zinc/31/13/40/949311340.db2.gz RDQIGXPUBWLMAW-BLYZHGLHSA-N 2 1 360.296 1.099 20 30 FDEDMP C=C(Br)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001091096290 949311362 /nfs/dbraw/zinc/31/13/62/949311362.db2.gz RDQIGXPUBWLMAW-BLYZHGLHSA-N 2 1 360.296 1.099 20 30 FDEDMP C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001171222632 950950624 /nfs/dbraw/zinc/95/06/24/950950624.db2.gz HYJWBDJZQJNCKH-QGZVFWFLSA-N 2 1 354.498 1.975 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982440 952995381 /nfs/dbraw/zinc/99/53/81/952995381.db2.gz JZOBYWCDAJKNKV-ZCNNSNEGSA-N 2 1 371.529 1.897 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009781 953099082 /nfs/dbraw/zinc/09/90/82/953099082.db2.gz YFXKETRJHPMPSL-CWRNSKLLSA-N 2 1 351.882 1.008 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009781 953099084 /nfs/dbraw/zinc/09/90/84/953099084.db2.gz YFXKETRJHPMPSL-CWRNSKLLSA-N 2 1 351.882 1.008 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)C1 ZINC001092274037 954660729 /nfs/dbraw/zinc/66/07/29/954660729.db2.gz ZFPDFVUBKJNWSE-KHYOSLBOSA-N 2 1 358.511 1.852 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)C1 ZINC001092274037 954660739 /nfs/dbraw/zinc/66/07/39/954660739.db2.gz ZFPDFVUBKJNWSE-KHYOSLBOSA-N 2 1 358.511 1.852 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)C1 ZINC001092274037 954660749 /nfs/dbraw/zinc/66/07/49/954660749.db2.gz ZFPDFVUBKJNWSE-KHYOSLBOSA-N 2 1 358.511 1.852 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccnc(OC)c2)C[C@H]1C ZINC001092688931 956194707 /nfs/dbraw/zinc/19/47/07/956194707.db2.gz FYRVYEMEDXEPDS-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccnc(OC)c2)C[C@H]1C ZINC001092688931 956194712 /nfs/dbraw/zinc/19/47/12/956194712.db2.gz FYRVYEMEDXEPDS-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1C ZINC001092688931 956194725 /nfs/dbraw/zinc/19/47/25/956194725.db2.gz FYRVYEMEDXEPDS-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccnc(OC)c2)C[C@H]1C ZINC001092688931 956194730 /nfs/dbraw/zinc/19/47/30/956194730.db2.gz FYRVYEMEDXEPDS-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccnc2C)C[C@H]1C ZINC001092688935 956194942 /nfs/dbraw/zinc/19/49/42/956194942.db2.gz GBRGTDKDECDEPV-AHRSYUTCSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccnc2C)C[C@H]1C ZINC001092688935 956194950 /nfs/dbraw/zinc/19/49/50/956194950.db2.gz GBRGTDKDECDEPV-AHRSYUTCSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccnc2C)C[C@H]1C ZINC001092688935 956194960 /nfs/dbraw/zinc/19/49/60/956194960.db2.gz GBRGTDKDECDEPV-AHRSYUTCSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccnc2C)C[C@H]1C ZINC001092688935 956194963 /nfs/dbraw/zinc/19/49/63/956194963.db2.gz GBRGTDKDECDEPV-AHRSYUTCSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ns2)C[C@H]1C ZINC001092690030 956198894 /nfs/dbraw/zinc/19/88/94/956198894.db2.gz XJBBICZVCKBSQW-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ns2)C[C@H]1C ZINC001092690030 956198896 /nfs/dbraw/zinc/19/88/96/956198896.db2.gz XJBBICZVCKBSQW-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)ns2)C[C@H]1C ZINC001092690030 956198905 /nfs/dbraw/zinc/19/89/05/956198905.db2.gz XJBBICZVCKBSQW-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)ns2)C[C@H]1C ZINC001092690030 956198913 /nfs/dbraw/zinc/19/89/13/956198913.db2.gz XJBBICZVCKBSQW-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133292 957618014 /nfs/dbraw/zinc/61/80/14/957618014.db2.gz ZWLUSOKBAPASDU-UYAOXDASSA-N 2 1 351.494 1.818 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nccc(C)n3)C[C@H]2C)CC1 ZINC001093221866 957848361 /nfs/dbraw/zinc/84/83/61/957848361.db2.gz FSZCJVZYVGLVTR-VQIMIIECSA-N 2 1 369.513 1.314 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nccc(C)n3)C[C@H]2C)CC1 ZINC001093221866 957848369 /nfs/dbraw/zinc/84/83/69/957848369.db2.gz FSZCJVZYVGLVTR-VQIMIIECSA-N 2 1 369.513 1.314 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2C)CC1 ZINC001093223613 957853655 /nfs/dbraw/zinc/85/36/55/957853655.db2.gz CPHXEWHJDWDZMD-MISYRCLQSA-N 2 1 361.530 1.585 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093690281 958548285 /nfs/dbraw/zinc/54/82/85/958548285.db2.gz QRPQTQHYQGTZGG-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093690281 958548293 /nfs/dbraw/zinc/54/82/93/958548293.db2.gz QRPQTQHYQGTZGG-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831176 963301748 /nfs/dbraw/zinc/30/17/48/963301748.db2.gz LVSONWSCQFWGPF-ZCNNSNEGSA-N 2 1 352.482 1.933 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC12CCOCC2 ZINC001186373065 964480480 /nfs/dbraw/zinc/48/04/80/964480480.db2.gz GEGXMCWGROMJCH-IXDOHACOSA-N 2 1 369.937 1.924 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189425337 966970469 /nfs/dbraw/zinc/97/04/69/966970469.db2.gz KJPFPORGGPZTPK-RBUKOAKNSA-N 2 1 365.518 1.224 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCOCC3)[C@@H]2C1 ZINC001189425337 966970471 /nfs/dbraw/zinc/97/04/71/966970471.db2.gz KJPFPORGGPZTPK-RBUKOAKNSA-N 2 1 365.518 1.224 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001110671171 968101843 /nfs/dbraw/zinc/10/18/43/968101843.db2.gz WINDAYWXYQQWJS-QRVBRYPASA-N 2 1 374.529 1.393 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001110671171 968101847 /nfs/dbraw/zinc/10/18/47/968101847.db2.gz WINDAYWXYQQWJS-QRVBRYPASA-N 2 1 374.529 1.393 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110671171 968101851 /nfs/dbraw/zinc/10/18/51/968101851.db2.gz WINDAYWXYQQWJS-QRVBRYPASA-N 2 1 374.529 1.393 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001110671171 968101859 /nfs/dbraw/zinc/10/18/59/968101859.db2.gz WINDAYWXYQQWJS-QRVBRYPASA-N 2 1 374.529 1.393 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849522200 977717166 /nfs/dbraw/zinc/71/71/66/977717166.db2.gz JWRHRHFZJIQNGE-RBUKOAKNSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001110630064 978875616 /nfs/dbraw/zinc/87/56/16/978875616.db2.gz JTNPDHTXHBJXCQ-VQIMIIECSA-N 2 1 369.513 1.864 20 30 FDEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001110630064 978875626 /nfs/dbraw/zinc/87/56/26/978875626.db2.gz JTNPDHTXHBJXCQ-VQIMIIECSA-N 2 1 369.513 1.864 20 30 FDEDMP CCC(CC)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+]1CCOCC1 ZINC000884184798 982960336 /nfs/dbraw/zinc/96/03/36/982960336.db2.gz ZYNAFZQRGNNFBG-NNVNDSJASA-N 2 1 362.518 1.379 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(CC[NH+]3CCOCC3)cc1)C2 ZINC000884197975 982973575 /nfs/dbraw/zinc/97/35/75/982973575.db2.gz KHBVJAOOCOOKLM-IDYZSHNDSA-N 2 1 368.481 1.639 20 30 FDEDMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884227509 983001431 /nfs/dbraw/zinc/00/14/31/983001431.db2.gz RGDSUEQJTKPIPW-JMDAGXMHSA-N 2 1 352.482 1.859 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332485660 983063202 /nfs/dbraw/zinc/06/32/02/983063202.db2.gz NPCSFNISJLJTFK-AEFFLSMTSA-N 2 1 362.518 1.086 20 30 FDEDMP N#Cc1cc(C[NH+]2C[C@@H]3COC[C@@H]3C2)cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000872319225 987599676 /nfs/dbraw/zinc/59/96/76/987599676.db2.gz BFRINLOFMWLVNQ-FXELSEDVSA-N 2 1 353.466 1.715 20 30 FDEDMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000366126046 988440798 /nfs/dbraw/zinc/44/07/98/988440798.db2.gz LUJSBHAGLQCBLP-INIZCTEOSA-N 2 1 355.438 1.052 20 30 FDEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)C#Cc3ccc4c(c3)OCO4)C2)CC1 ZINC000366126046 988440806 /nfs/dbraw/zinc/44/08/06/988440806.db2.gz LUJSBHAGLQCBLP-INIZCTEOSA-N 2 1 355.438 1.052 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000362277653 988620634 /nfs/dbraw/zinc/62/06/34/988620634.db2.gz DVQOGKOLFWASSQ-LBPRGKRZSA-N 2 1 359.405 1.982 20 30 FDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455794 989214701 /nfs/dbraw/zinc/21/47/01/989214701.db2.gz GRESSRZOFOGLLY-VQTJNVASSA-N 2 1 372.513 1.257 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC000968725346 1015577042 /nfs/dbraw/zinc/57/70/42/1015577042.db2.gz SOLYZLONPYZEJN-SZVBFZGTSA-N 2 1 356.470 1.620 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000876782344 992910032 /nfs/dbraw/zinc/91/00/32/992910032.db2.gz PFAUGMKAFOOZCF-MRXNPFEDSA-N 2 1 351.882 1.180 20 30 FDEDMP COc1ccc(COCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264278684 997446784 /nfs/dbraw/zinc/44/67/84/997446784.db2.gz NHKOLXFDYQSRPT-UHFFFAOYSA-N 2 1 364.490 1.229 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000890364263 998914493 /nfs/dbraw/zinc/91/44/93/998914493.db2.gz YJOBWTMWVLLOAL-HTUJPFKRSA-N 2 1 362.518 1.367 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000890364263 998914494 /nfs/dbraw/zinc/91/44/94/998914494.db2.gz YJOBWTMWVLLOAL-HTUJPFKRSA-N 2 1 362.518 1.367 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1 ZINC000890364263 998914498 /nfs/dbraw/zinc/91/44/98/998914498.db2.gz YJOBWTMWVLLOAL-HTUJPFKRSA-N 2 1 362.518 1.367 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1 ZINC000890364263 998914504 /nfs/dbraw/zinc/91/45/04/998914504.db2.gz YJOBWTMWVLLOAL-HTUJPFKRSA-N 2 1 362.518 1.367 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000890364614 998915210 /nfs/dbraw/zinc/91/52/10/998915210.db2.gz DXBOGDDKXLZNTO-IEBWSBKVSA-N 2 1 358.486 1.695 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000890364614 998915212 /nfs/dbraw/zinc/91/52/12/998915212.db2.gz DXBOGDDKXLZNTO-IEBWSBKVSA-N 2 1 358.486 1.695 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000890371471 998917794 /nfs/dbraw/zinc/91/77/94/998917794.db2.gz WBUJOVIUSFCAIU-FPOVZHCZSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000890371471 998917795 /nfs/dbraw/zinc/91/77/95/998917795.db2.gz WBUJOVIUSFCAIU-FPOVZHCZSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000890371471 998917799 /nfs/dbraw/zinc/91/77/99/998917799.db2.gz WBUJOVIUSFCAIU-FPOVZHCZSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000890371471 998917800 /nfs/dbraw/zinc/91/78/00/998917800.db2.gz WBUJOVIUSFCAIU-FPOVZHCZSA-N 2 1 370.497 1.020 20 30 FDEDMP CN(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1c(F)cccc1F ZINC000267459773 999341710 /nfs/dbraw/zinc/34/17/10/999341710.db2.gz UPZGVZHUXSJTTN-MRXNPFEDSA-N 2 1 369.460 1.194 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000948381220 1002280546 /nfs/dbraw/zinc/28/05/46/1002280546.db2.gz IDSSHRYMCMDATN-ZCNNSNEGSA-N 2 1 361.530 1.679 20 30 FDEDMP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394769 1003292529 /nfs/dbraw/zinc/29/25/29/1003292529.db2.gz CRKKJTLJMIDECI-QZTJIDSGSA-N 2 1 365.518 1.365 20 30 FDEDMP C=C(C)CC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394769 1003292535 /nfs/dbraw/zinc/29/25/35/1003292535.db2.gz CRKKJTLJMIDECI-QZTJIDSGSA-N 2 1 365.518 1.365 20 30 FDEDMP C=C(C)CC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394769 1003292546 /nfs/dbraw/zinc/29/25/46/1003292546.db2.gz CRKKJTLJMIDECI-QZTJIDSGSA-N 2 1 365.518 1.365 20 30 FDEDMP C=C(C)CC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949394769 1003292557 /nfs/dbraw/zinc/29/25/57/1003292557.db2.gz CRKKJTLJMIDECI-QZTJIDSGSA-N 2 1 365.518 1.365 20 30 FDEDMP CCc1ccc([C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)N(C)C)cc1 ZINC000303785410 1009583093 /nfs/dbraw/zinc/58/30/93/1009583093.db2.gz QHFCFRQLTSHJIL-IBGZPJMESA-N 2 1 361.534 1.478 20 30 FDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1 ZINC000303869560 1009644974 /nfs/dbraw/zinc/64/49/74/1009644974.db2.gz DWJXBYWVPMYOCR-OAHLLOKOSA-N 2 1 363.506 1.704 20 30 FDEDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])NCC3CCC3)c2)C1 ZINC000304762356 1010489223 /nfs/dbraw/zinc/48/92/23/1010489223.db2.gz VPGFZXRUIPWJDA-GOSISDBHSA-N 2 1 357.502 1.588 20 30 FDEDMP COC(=O)c1cccc(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1C#N ZINC000779653818 1010660648 /nfs/dbraw/zinc/66/06/48/1010660648.db2.gz XSCPHSXGNCYKDU-INIZCTEOSA-N 2 1 360.414 1.453 20 30 FDEDMP COC(=O)c1cccc(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1C#N ZINC000779653818 1010660655 /nfs/dbraw/zinc/66/06/55/1010660655.db2.gz XSCPHSXGNCYKDU-INIZCTEOSA-N 2 1 360.414 1.453 20 30 FDEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000961378996 1012307277 /nfs/dbraw/zinc/30/72/77/1012307277.db2.gz PLWNRVFSQSQSFS-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000961378996 1012307292 /nfs/dbraw/zinc/30/72/92/1012307292.db2.gz PLWNRVFSQSQSFS-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000961378996 1012307311 /nfs/dbraw/zinc/30/73/11/1012307311.db2.gz PLWNRVFSQSQSFS-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000961378996 1012307329 /nfs/dbraw/zinc/30/73/29/1012307329.db2.gz PLWNRVFSQSQSFS-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000046086574 522223370 /nfs/dbraw/zinc/22/33/70/522223370.db2.gz XHMUFMXLPVBDQU-UHFFFAOYSA-N 2 1 369.513 1.671 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000046086574 522223380 /nfs/dbraw/zinc/22/33/80/522223380.db2.gz XHMUFMXLPVBDQU-UHFFFAOYSA-N 2 1 369.513 1.671 20 30 FDEDMP C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000053963387 523542365 /nfs/dbraw/zinc/54/23/65/523542365.db2.gz ZPIPCIDTHPRCIY-UHFFFAOYSA-N 2 1 355.486 1.870 20 30 FDEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000131425414 525857210 /nfs/dbraw/zinc/85/72/10/525857210.db2.gz QJVPSPJNEXIVPG-CALCHBBNSA-N 2 1 350.507 1.570 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000133460289 526061458 /nfs/dbraw/zinc/06/14/58/526061458.db2.gz TWFHVDNQVKRCIT-RBUKOAKNSA-N 2 1 369.513 1.054 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000171714476 526088900 /nfs/dbraw/zinc/08/89/00/526088900.db2.gz MHDPNCIGWWTYEG-UHFFFAOYSA-N 2 1 356.514 1.571 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCOc3ccc(C#N)cc3)CC2)CC1 ZINC000109788901 526181826 /nfs/dbraw/zinc/18/18/26/526181826.db2.gz JENRGTBSNRKUTA-UHFFFAOYSA-N 2 1 370.497 1.813 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000187015073 536252568 /nfs/dbraw/zinc/25/25/68/536252568.db2.gz ZGEIVNZYUKUKCP-AOIWGVFYSA-N 2 1 352.523 1.767 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000187015073 536252569 /nfs/dbraw/zinc/25/25/69/536252569.db2.gz ZGEIVNZYUKUKCP-AOIWGVFYSA-N 2 1 352.523 1.767 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000283985884 537399679 /nfs/dbraw/zinc/39/96/79/537399679.db2.gz GHJIYRUKTHDTJB-MRXNPFEDSA-N 2 1 362.474 1.155 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000304931101 537599324 /nfs/dbraw/zinc/59/93/24/537599324.db2.gz CHKOWKHRBSNLOD-INIZCTEOSA-N 2 1 357.462 1.165 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366585031 537789899 /nfs/dbraw/zinc/78/98/99/537789899.db2.gz RAJPXVOEIFLVTP-UHFFFAOYSA-N 2 1 370.497 1.986 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000561413557 545838486 /nfs/dbraw/zinc/83/84/86/545838486.db2.gz OACXBOZMIHDUHN-UHFFFAOYSA-N 2 1 350.507 1.086 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000577227539 550634755 /nfs/dbraw/zinc/63/47/55/550634755.db2.gz KMCWQUBHNQTSDS-SFHVURJKSA-N 2 1 364.534 1.380 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000579389061 550868499 /nfs/dbraw/zinc/86/84/99/550868499.db2.gz XMKXCZFETACVFM-WMZOPIPTSA-N 2 1 364.534 1.332 20 30 FDEDMP C[C@H]1COCC[N@@H+]1C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930615 551033659 /nfs/dbraw/zinc/03/36/59/551033659.db2.gz QSKDFFNUTXVANL-LPHOPBHVSA-N 2 1 359.470 1.483 20 30 FDEDMP C[C@H]1COCC[N@H+]1C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930615 551033661 /nfs/dbraw/zinc/03/36/61/551033661.db2.gz QSKDFFNUTXVANL-LPHOPBHVSA-N 2 1 359.470 1.483 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000584834319 551556954 /nfs/dbraw/zinc/55/69/54/551556954.db2.gz JFEMWGFBIBROAE-SFHVURJKSA-N 2 1 362.470 1.843 20 30 FDEDMP N#CC[C@]1(O)CC[N@@H+](Cc2cccc(C[NH+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592150632 551950519 /nfs/dbraw/zinc/95/05/19/551950519.db2.gz FKNBKDMRGLVXQP-BGYRXZFFSA-N 2 1 354.454 1.388 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592150632 551950520 /nfs/dbraw/zinc/95/05/20/551950520.db2.gz FKNBKDMRGLVXQP-BGYRXZFFSA-N 2 1 354.454 1.388 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](Cc2cccc(C[N@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592150632 551950521 /nfs/dbraw/zinc/95/05/21/551950521.db2.gz FKNBKDMRGLVXQP-BGYRXZFFSA-N 2 1 354.454 1.388 20 30 FDEDMP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)c1 ZINC000593885638 552217184 /nfs/dbraw/zinc/21/71/84/552217184.db2.gz IPMMDGADEJODSA-HXUWFJFHSA-N 2 1 367.497 1.029 20 30 FDEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000594439039 552310648 /nfs/dbraw/zinc/31/06/48/552310648.db2.gz NCYNSAUNIFKMPS-YTQUADARSA-N 2 1 358.486 1.803 20 30 FDEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000594439039 552310651 /nfs/dbraw/zinc/31/06/51/552310651.db2.gz NCYNSAUNIFKMPS-YTQUADARSA-N 2 1 358.486 1.803 20 30 FDEDMP COc1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@H](CC#N)C3)CC2)cc1 ZINC000595621464 552593999 /nfs/dbraw/zinc/59/39/99/552593999.db2.gz VEOYLBDEWQXOIB-GOSISDBHSA-N 2 1 370.497 1.965 20 30 FDEDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595904526 552631431 /nfs/dbraw/zinc/63/14/31/552631431.db2.gz FDSKITWAAKOAIV-ICSRJNTNSA-N 2 1 361.486 1.535 20 30 FDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595904526 552631432 /nfs/dbraw/zinc/63/14/32/552631432.db2.gz FDSKITWAAKOAIV-ICSRJNTNSA-N 2 1 361.486 1.535 20 30 FDEDMP C[NH+](C)CCCS(=O)(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000601295762 553370955 /nfs/dbraw/zinc/37/09/55/553370955.db2.gz FVHGVSAHLZWWRX-UHFFFAOYSA-N 2 1 364.515 1.347 20 30 FDEDMP C[NH+](C)CCCS(=O)(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000601295762 553370957 /nfs/dbraw/zinc/37/09/57/553370957.db2.gz FVHGVSAHLZWWRX-UHFFFAOYSA-N 2 1 364.515 1.347 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610995518 554592262 /nfs/dbraw/zinc/59/22/62/554592262.db2.gz SEXCHINVRWYLRV-UKAVVXHISA-N 2 1 373.497 1.676 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000610995518 554592263 /nfs/dbraw/zinc/59/22/63/554592263.db2.gz SEXCHINVRWYLRV-UKAVVXHISA-N 2 1 373.497 1.676 20 30 FDEDMP C[NH+]=C(NCCc1sc(C)nc1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261822023 672678500 /nfs/dbraw/zinc/67/85/00/672678500.db2.gz ULRBNGGCBNFYKT-INIZCTEOSA-N 2 1 365.547 1.532 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262825369 672851696 /nfs/dbraw/zinc/85/16/96/672851696.db2.gz XZCIQHSHWAENJO-IEBWSBKVSA-N 3 1 367.607 1.807 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCOCC1 ZINC000264085744 672900813 /nfs/dbraw/zinc/90/08/13/672900813.db2.gz JQNYZZNFHUQCCA-JKSUJKDBSA-N 2 1 365.547 1.510 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303717525 676542874 /nfs/dbraw/zinc/54/28/74/676542874.db2.gz UDGKFVHRPHOKNX-UHFFFAOYSA-N 2 1 365.909 1.499 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000303909325 676543922 /nfs/dbraw/zinc/54/39/22/676543922.db2.gz YCQSBHCIXCFQRP-HUUCEWRRSA-N 2 1 353.511 1.632 20 30 FDEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000304753262 676544395 /nfs/dbraw/zinc/54/43/95/676544395.db2.gz KYCFIKZFNCJBQA-HNNXBMFYSA-N 2 1 353.511 1.728 20 30 FDEDMP C[N@@H+](CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC000304764681 676544586 /nfs/dbraw/zinc/54/45/86/676544586.db2.gz YJUKXFWEFRPLBN-UHFFFAOYSA-N 2 1 353.511 1.728 20 30 FDEDMP CC1(C)C[N@H+](C2(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCCC2)CCO1 ZINC000424145112 680830848 /nfs/dbraw/zinc/83/08/48/680830848.db2.gz MUNIRKDGIOWLNG-INIZCTEOSA-N 2 1 350.507 1.937 20 30 FDEDMP CC(C)[N@H+](C)Cc1nn(-c2nc(C#N)ccc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684885 719621963 /nfs/dbraw/zinc/62/19/63/719621963.db2.gz YOXMTRMFXWKZRL-UHFFFAOYSA-N 2 1 355.402 1.533 20 30 FDEDMP CC(C)[N@@H+](C)Cc1nn(-c2nc(C#N)ccc2[N+](=O)[O-])c2c1CC[NH2+]C2 ZINC001164684885 719621971 /nfs/dbraw/zinc/62/19/71/719621971.db2.gz YOXMTRMFXWKZRL-UHFFFAOYSA-N 2 1 355.402 1.533 20 30 FDEDMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000969705390 770693841 /nfs/dbraw/zinc/69/38/41/770693841.db2.gz XLZUIAHXJYGSCE-RZQQEMMASA-N 2 1 370.497 1.866 20 30 FDEDMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969703840 770702086 /nfs/dbraw/zinc/70/20/86/770702086.db2.gz LHSUNDORYXKZJG-JXXFODFXSA-N 2 1 357.473 1.954 20 30 FDEDMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](CC#Cc2ccc(F)cc2)C1 ZINC000969703840 770702098 /nfs/dbraw/zinc/70/20/98/770702098.db2.gz LHSUNDORYXKZJG-JXXFODFXSA-N 2 1 357.473 1.954 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290471 773813806 /nfs/dbraw/zinc/81/38/06/773813806.db2.gz ABKGDXFINUSKDE-KURKYZTESA-N 2 1 358.486 1.485 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001104306140 774440414 /nfs/dbraw/zinc/44/04/14/774440414.db2.gz MUMJPZXSRMJDCD-GGPKGHCWSA-N 2 1 354.498 1.753 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccccn2)C1 ZINC001104306140 774440419 /nfs/dbraw/zinc/44/04/19/774440419.db2.gz MUMJPZXSRMJDCD-GGPKGHCWSA-N 2 1 354.498 1.753 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nc2C)C1 ZINC001104306305 774443333 /nfs/dbraw/zinc/44/33/33/774443333.db2.gz WUNOPEFCBSHNRJ-POAQFYNOSA-N 2 1 371.529 1.400 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nc2C)C1 ZINC001104306305 774443340 /nfs/dbraw/zinc/44/33/40/774443340.db2.gz WUNOPEFCBSHNRJ-POAQFYNOSA-N 2 1 371.529 1.400 20 30 FDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(-n4ccnc4)ccn3)[C@H]2C1 ZINC001083239060 781726113 /nfs/dbraw/zinc/72/61/13/781726113.db2.gz QXNUBECVTKNZOF-ZWKOTPCHSA-N 2 1 353.426 1.369 20 30 FDEDMP C=CCCN1C[C@H]2OCCN(C(=O)c3cc(-n4ccnc4)ccn3)[C@H]2C1 ZINC001083239060 781726120 /nfs/dbraw/zinc/72/61/20/781726120.db2.gz QXNUBECVTKNZOF-ZWKOTPCHSA-N 2 1 353.426 1.369 20 30 FDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104580793 788693882 /nfs/dbraw/zinc/69/38/82/788693882.db2.gz IUKJOYHYFXRFFM-DJIMGWMZSA-N 2 1 357.926 1.922 20 30 FDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104580793 788693902 /nfs/dbraw/zinc/69/39/02/788693902.db2.gz IUKJOYHYFXRFFM-DJIMGWMZSA-N 2 1 357.926 1.922 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104873803 794157219 /nfs/dbraw/zinc/15/72/19/794157219.db2.gz GDLMOLYRJMNRBZ-IXDOHACOSA-N 2 1 352.523 1.093 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104939008 794489240 /nfs/dbraw/zinc/48/92/40/794489240.db2.gz GFMBWSPJUSAWSF-IXDOHACOSA-N 2 1 352.523 1.093 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001026916832 800176601 /nfs/dbraw/zinc/17/66/01/800176601.db2.gz PVRARWJEBDQVIV-JKIFEVAISA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001026916832 800176604 /nfs/dbraw/zinc/17/66/04/800176604.db2.gz PVRARWJEBDQVIV-JKIFEVAISA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)O1 ZINC000978353732 805380034 /nfs/dbraw/zinc/38/00/34/805380034.db2.gz LRWISKISZNGUSW-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)O1 ZINC000978353732 805380041 /nfs/dbraw/zinc/38/00/41/805380041.db2.gz LRWISKISZNGUSW-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)O1 ZINC000978353732 805380050 /nfs/dbraw/zinc/38/00/50/805380050.db2.gz LRWISKISZNGUSW-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)O1 ZINC000978353732 805380058 /nfs/dbraw/zinc/38/00/58/805380058.db2.gz LRWISKISZNGUSW-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001087444060 809807536 /nfs/dbraw/zinc/80/75/36/809807536.db2.gz VPRNEIQVVPNHMG-NJDAHSKKSA-N 2 1 369.509 1.705 20 30 FDEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001087444060 809807541 /nfs/dbraw/zinc/80/75/41/809807541.db2.gz VPRNEIQVVPNHMG-NJDAHSKKSA-N 2 1 369.509 1.705 20 30 FDEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001087444060 809807549 /nfs/dbraw/zinc/80/75/49/809807549.db2.gz VPRNEIQVVPNHMG-NJDAHSKKSA-N 2 1 369.509 1.705 20 30 FDEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001087444060 809807565 /nfs/dbraw/zinc/80/75/65/809807565.db2.gz VPRNEIQVVPNHMG-NJDAHSKKSA-N 2 1 369.509 1.705 20 30 FDEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367026569 814238516 /nfs/dbraw/zinc/23/85/16/814238516.db2.gz BDYPRBWYYPSGPT-PKOBYXMFSA-N 2 1 372.513 1.903 20 30 FDEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367026569 814238523 /nfs/dbraw/zinc/23/85/23/814238523.db2.gz BDYPRBWYYPSGPT-PKOBYXMFSA-N 2 1 372.513 1.903 20 30 FDEDMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000330475180 819616321 /nfs/dbraw/zinc/61/63/21/819616321.db2.gz FMUSEBWHCKIYLN-MRXNPFEDSA-N 2 1 367.538 1.117 20 30 FDEDMP COc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1OCCCC#N ZINC000521828665 821361458 /nfs/dbraw/zinc/36/14/58/821361458.db2.gz PNMFLAFSSXWBKR-UHFFFAOYSA-N 2 1 374.485 1.631 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nc3C)[C@@H]2CC)CC1 ZINC001087840115 822559042 /nfs/dbraw/zinc/55/90/42/822559042.db2.gz IGXXBPFBBAHVMA-VQTJNVASSA-N 2 1 371.529 1.543 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)no3)CC[C@@H]2C1 ZINC001087997871 825073922 /nfs/dbraw/zinc/07/39/22/825073922.db2.gz DJAJRNCOUZMTQB-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)no3)CC[C@@H]2C1 ZINC001087997871 825073926 /nfs/dbraw/zinc/07/39/26/825073926.db2.gz DJAJRNCOUZMTQB-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)no3)CC[C@@H]2C1 ZINC001087997871 825073933 /nfs/dbraw/zinc/07/39/33/825073933.db2.gz DJAJRNCOUZMTQB-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)no3)CC[C@@H]2C1 ZINC001087997871 825073938 /nfs/dbraw/zinc/07/39/38/825073938.db2.gz DJAJRNCOUZMTQB-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCn4cccn4)CC[C@@H]3C2)CC1 ZINC001088211862 827492460 /nfs/dbraw/zinc/49/24/60/827492460.db2.gz CZRCFILBWRDTBM-UXHICEINSA-N 2 1 369.513 1.009 20 30 FDEDMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076242628 847665927 /nfs/dbraw/zinc/66/59/27/847665927.db2.gz LXVAOJDRHZNEJW-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076242628 847665932 /nfs/dbraw/zinc/66/59/32/847665932.db2.gz LXVAOJDRHZNEJW-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076242628 847665936 /nfs/dbraw/zinc/66/59/36/847665936.db2.gz LXVAOJDRHZNEJW-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076242628 847665942 /nfs/dbraw/zinc/66/59/42/847665942.db2.gz LXVAOJDRHZNEJW-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242735 847667048 /nfs/dbraw/zinc/66/70/48/847667048.db2.gz PTDWGZFEHFLKKO-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242735 847667064 /nfs/dbraw/zinc/66/70/64/847667064.db2.gz PTDWGZFEHFLKKO-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076242735 847667073 /nfs/dbraw/zinc/66/70/73/847667073.db2.gz PTDWGZFEHFLKKO-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001076569495 848467028 /nfs/dbraw/zinc/46/70/28/848467028.db2.gz YTDFMCHNXFUYAZ-YQVWRLOYSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001076569495 848467033 /nfs/dbraw/zinc/46/70/33/848467033.db2.gz YTDFMCHNXFUYAZ-YQVWRLOYSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001076569495 848467037 /nfs/dbraw/zinc/46/70/37/848467037.db2.gz YTDFMCHNXFUYAZ-YQVWRLOYSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001076569495 848467043 /nfs/dbraw/zinc/46/70/43/848467043.db2.gz YTDFMCHNXFUYAZ-YQVWRLOYSA-N 2 1 356.445 1.682 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001076605450 848556183 /nfs/dbraw/zinc/55/61/83/848556183.db2.gz AYDYSZUSFGDZBO-YZGWKJHDSA-N 2 1 359.514 1.291 20 30 FDEDMP C=C(CC[NH+](C)C)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000911891440 859095740 /nfs/dbraw/zinc/09/57/40/859095740.db2.gz HAMHBGBASSGUOJ-PMACEKPBSA-N 2 1 357.498 1.996 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(C)C ZINC000672729199 871542162 /nfs/dbraw/zinc/54/21/62/871542162.db2.gz JLOCKTUFRFNFTN-SFHVURJKSA-N 2 1 366.550 1.783 20 30 FDEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719832 873552888 /nfs/dbraw/zinc/55/28/88/873552888.db2.gz YOELXNUDNJSMCP-AQNXPRMDSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719832 873552897 /nfs/dbraw/zinc/55/28/97/873552897.db2.gz YOELXNUDNJSMCP-AQNXPRMDSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719832 873552900 /nfs/dbraw/zinc/55/29/00/873552900.db2.gz YOELXNUDNJSMCP-AQNXPRMDSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719832 873552909 /nfs/dbraw/zinc/55/29/09/873552909.db2.gz YOELXNUDNJSMCP-AQNXPRMDSA-N 2 1 370.497 1.342 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000917091637 882970921 /nfs/dbraw/zinc/97/09/21/882970921.db2.gz AABQSHIQPUIJPH-IRXDYDNUSA-N 2 1 352.548 1.906 20 30 FDEDMP C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034209919 883935279 /nfs/dbraw/zinc/93/52/79/883935279.db2.gz LLXPPSCADODKJQ-ZCNNSNEGSA-N 2 1 361.530 1.727 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000999499180 912843509 /nfs/dbraw/zinc/84/35/09/912843509.db2.gz ZSVXLUGVWUYADE-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000999499180 912843527 /nfs/dbraw/zinc/84/35/27/912843527.db2.gz ZSVXLUGVWUYADE-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001129043104 885515747 /nfs/dbraw/zinc/51/57/47/885515747.db2.gz HLLLIEWKGDMTCX-IKGGRYGDSA-N 2 1 369.473 1.360 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001129043104 885515761 /nfs/dbraw/zinc/51/57/61/885515761.db2.gz HLLLIEWKGDMTCX-IKGGRYGDSA-N 2 1 369.473 1.360 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220273 886595657 /nfs/dbraw/zinc/59/56/57/886595657.db2.gz UJEGKGKRDBVSJX-JQHSSLGASA-N 2 1 360.506 1.316 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(OC)c(C#N)c3)C2)CC[N@@H+]1C ZINC001031684151 887455131 /nfs/dbraw/zinc/45/51/31/887455131.db2.gz ITBYMHLIYBRYDP-RBUKOAKNSA-N 2 1 370.497 1.845 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(OC)c(C#N)c3)C2)CC[N@H+]1C ZINC001031684151 887455139 /nfs/dbraw/zinc/45/51/39/887455139.db2.gz ITBYMHLIYBRYDP-RBUKOAKNSA-N 2 1 370.497 1.845 20 30 FDEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C)C1=O ZINC001106905373 888755481 /nfs/dbraw/zinc/75/54/81/888755481.db2.gz LZPDZKXUACXEKY-KZNAEPCWSA-N 2 1 364.534 1.189 20 30 FDEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C)C1=O ZINC001106905372 888755992 /nfs/dbraw/zinc/75/59/92/888755992.db2.gz LZPDZKXUACXEKY-KURKYZTESA-N 2 1 364.534 1.189 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106907444 889052302 /nfs/dbraw/zinc/05/23/02/889052302.db2.gz LSVPFHINDWEGAS-BRWVUGGUSA-N 2 1 352.523 1.093 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nc2ccccc2n1C1CC1 ZINC000183837336 896577290 /nfs/dbraw/zinc/57/72/90/896577290.db2.gz YNEJHBMCCYCPMI-UHFFFAOYSA-N 2 1 356.474 1.498 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106986627 897622076 /nfs/dbraw/zinc/62/20/76/897622076.db2.gz XTLHSUUQAOGLSV-YLJYHZDGSA-N 2 1 350.466 1.927 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001078405509 898747673 /nfs/dbraw/zinc/74/76/73/898747673.db2.gz POBTWCFCENLPOK-LSTHTHJFSA-N 2 1 370.497 1.606 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cccc(F)c1 ZINC001079188877 902138677 /nfs/dbraw/zinc/13/86/77/902138677.db2.gz WEQFUWQQNVQMJP-ZWQIFLOQSA-N 2 1 359.445 1.062 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cccc(F)c1 ZINC001079188877 902138683 /nfs/dbraw/zinc/13/86/83/902138683.db2.gz WEQFUWQQNVQMJP-ZWQIFLOQSA-N 2 1 359.445 1.062 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079257164 902287751 /nfs/dbraw/zinc/28/77/51/902287751.db2.gz XKLBNWQNJWMYBL-GBESFXJTSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243275 902340232 /nfs/dbraw/zinc/34/02/32/902340232.db2.gz WEJSCSYQMWYECM-VNTMZGSJSA-N 2 1 373.541 1.679 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781123 906250815 /nfs/dbraw/zinc/25/08/15/906250815.db2.gz OQTWKHCAVDOOFC-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781123 906250833 /nfs/dbraw/zinc/25/08/33/906250833.db2.gz OQTWKHCAVDOOFC-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080781123 906250852 /nfs/dbraw/zinc/25/08/52/906250852.db2.gz OQTWKHCAVDOOFC-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080781123 906250871 /nfs/dbraw/zinc/25/08/71/906250871.db2.gz OQTWKHCAVDOOFC-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2C)CC1 ZINC001080997803 906972892 /nfs/dbraw/zinc/97/28/92/906972892.db2.gz KVADERWJCCKYAO-AHRSYUTCSA-N 2 1 361.530 1.583 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC3CCC3)C[C@H]2OC)CC1 ZINC001082384155 907386561 /nfs/dbraw/zinc/38/65/61/907386561.db2.gz GEHNPUCZRBMTEL-WOJBJXKFSA-N 2 1 361.530 1.727 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082590408 908846613 /nfs/dbraw/zinc/84/66/13/908846613.db2.gz VFKQWHUIAOGRJQ-TWKYDXJASA-N 2 1 374.460 1.353 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082590408 908846624 /nfs/dbraw/zinc/84/66/24/908846624.db2.gz VFKQWHUIAOGRJQ-TWKYDXJASA-N 2 1 374.460 1.353 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)C[C@H]2C)cc1C#N ZINC001082595880 908932828 /nfs/dbraw/zinc/93/28/28/908932828.db2.gz JPHQHDKUKZIPFF-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082861760 910524319 /nfs/dbraw/zinc/52/43/19/910524319.db2.gz NSEDHNFJZYWSRF-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082862049 910526616 /nfs/dbraw/zinc/52/66/16/910526616.db2.gz WWDLQAHZMOHZEU-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082935002 910969533 /nfs/dbraw/zinc/96/95/33/910969533.db2.gz GBLMWRCMJZFWEL-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082935002 910969536 /nfs/dbraw/zinc/96/95/36/910969536.db2.gz GBLMWRCMJZFWEL-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082934010 910989224 /nfs/dbraw/zinc/98/92/24/910989224.db2.gz TWFKRQFSIACKNP-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082934010 910989226 /nfs/dbraw/zinc/98/92/26/910989226.db2.gz TWFKRQFSIACKNP-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084773482 917028668 /nfs/dbraw/zinc/02/86/68/917028668.db2.gz RIJMLNBEYGAQEL-PWRODBHTSA-N 2 1 351.494 1.913 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084773482 917028678 /nfs/dbraw/zinc/02/86/78/917028678.db2.gz RIJMLNBEYGAQEL-PWRODBHTSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084773482 917028690 /nfs/dbraw/zinc/02/86/90/917028690.db2.gz RIJMLNBEYGAQEL-PWRODBHTSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001084773482 917028701 /nfs/dbraw/zinc/02/87/01/917028701.db2.gz RIJMLNBEYGAQEL-PWRODBHTSA-N 2 1 351.494 1.913 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC[C@H]4CCOC4)C[C@H]32)CC1 ZINC001084851065 917658776 /nfs/dbraw/zinc/65/87/76/917658776.db2.gz LRNPIVNEWXWTDS-DFQSSKMNSA-N 2 1 359.514 1.291 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)C1=O ZINC001110007384 931070714 /nfs/dbraw/zinc/07/07/14/931070714.db2.gz UENMTNWDVLSJJK-VSZNYVQBSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)C1=O ZINC001110007384 931070723 /nfs/dbraw/zinc/07/07/23/931070723.db2.gz UENMTNWDVLSJJK-VSZNYVQBSA-N 2 1 362.518 1.227 20 30 FDEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001170994156 945106318 /nfs/dbraw/zinc/10/63/18/945106318.db2.gz WTVJOQKOPHAPNJ-FPOVZHCZSA-N 2 1 355.482 1.206 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129437726 938424700 /nfs/dbraw/zinc/42/47/00/938424700.db2.gz FVTAUZRIMBDSER-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465968 938429033 /nfs/dbraw/zinc/42/90/33/938429033.db2.gz VMDMKCPEIVLZAC-MSOLQXFVSA-N 2 1 364.538 1.930 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465968 938429035 /nfs/dbraw/zinc/42/90/35/938429035.db2.gz VMDMKCPEIVLZAC-MSOLQXFVSA-N 2 1 364.538 1.930 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129465968 938429037 /nfs/dbraw/zinc/42/90/37/938429037.db2.gz VMDMKCPEIVLZAC-MSOLQXFVSA-N 2 1 364.538 1.930 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838073 938535370 /nfs/dbraw/zinc/53/53/70/938535370.db2.gz QEXWFDSZRLHQMR-SQNIBIBYSA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894346 938555474 /nfs/dbraw/zinc/55/54/74/938555474.db2.gz BTNPPFRVFWWNPI-NXHRZFHOSA-N 2 1 360.506 1.459 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001130610362 939907965 /nfs/dbraw/zinc/90/79/65/939907965.db2.gz KFWHHVUZFARNSN-WSTZPKSXSA-N 2 1 371.529 1.305 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001130608004 939919969 /nfs/dbraw/zinc/91/99/69/939919969.db2.gz WIOVLPBTNMUVBD-CGTJXYLNSA-N 2 1 366.469 1.102 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607989 939920110 /nfs/dbraw/zinc/92/01/10/939920110.db2.gz VQZGVSSNLVCRBJ-CMKODMSKSA-N 2 1 371.529 1.590 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131006138 940432645 /nfs/dbraw/zinc/43/26/45/940432645.db2.gz NAXKUQSPDULKQQ-GUDVDZBRSA-N 2 1 371.529 1.305 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131082122 940487801 /nfs/dbraw/zinc/48/78/01/940487801.db2.gz JLRFDIJRRGJNRZ-QRVBRYPASA-N 2 1 371.529 1.590 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001086664291 940545988 /nfs/dbraw/zinc/54/59/88/940545988.db2.gz HLPNLKCHNDUDCS-IPMKNSEASA-N 2 1 356.470 1.263 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001086664291 940545989 /nfs/dbraw/zinc/54/59/89/940545989.db2.gz HLPNLKCHNDUDCS-IPMKNSEASA-N 2 1 356.470 1.263 20 30 FDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000818970070 943386742 /nfs/dbraw/zinc/38/67/42/943386742.db2.gz LIPHALGPBXAUFW-SFHVURJKSA-N 2 1 363.421 1.977 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000819062649 943425658 /nfs/dbraw/zinc/42/56/58/943425658.db2.gz RROFCZMRILKODR-QUCCMNQESA-N 2 1 359.470 1.531 20 30 FDEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000819062648 943425816 /nfs/dbraw/zinc/42/58/16/943425816.db2.gz RROFCZMRILKODR-ICSRJNTNSA-N 2 1 359.470 1.531 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001171070763 946854674 /nfs/dbraw/zinc/85/46/74/946854674.db2.gz JVBDJKUNXILZIY-INIZCTEOSA-N 2 1 357.458 1.660 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306744 971594752 /nfs/dbraw/zinc/59/47/52/971594752.db2.gz HYJQZWKYOSMACA-IPMKNSEASA-N 2 1 367.534 1.395 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114733 951124372 /nfs/dbraw/zinc/12/43/72/951124372.db2.gz CTUOLQVEGXMRFP-YRXWBPOGSA-N 2 1 374.529 1.112 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114733 951124389 /nfs/dbraw/zinc/12/43/89/951124389.db2.gz CTUOLQVEGXMRFP-YRXWBPOGSA-N 2 1 374.529 1.112 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690059 952662058 /nfs/dbraw/zinc/66/20/58/952662058.db2.gz GWFNVBSLSOLDFY-BPAFIMBUSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690059 952662061 /nfs/dbraw/zinc/66/20/61/952662061.db2.gz GWFNVBSLSOLDFY-BPAFIMBUSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690059 952662063 /nfs/dbraw/zinc/66/20/63/952662063.db2.gz GWFNVBSLSOLDFY-BPAFIMBUSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690059 952662065 /nfs/dbraw/zinc/66/20/65/952662065.db2.gz GWFNVBSLSOLDFY-BPAFIMBUSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@@]2(C)C1 ZINC001091749899 952789346 /nfs/dbraw/zinc/78/93/46/952789346.db2.gz RNHMTEMTKGSLSH-LMNJBCLMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)ncn3)C[C@@]2(C)C1 ZINC001091749899 952789349 /nfs/dbraw/zinc/78/93/49/952789349.db2.gz RNHMTEMTKGSLSH-LMNJBCLMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cc(C)ncn3)C[C@@]2(C)C1 ZINC001091749899 952789351 /nfs/dbraw/zinc/78/93/51/952789351.db2.gz RNHMTEMTKGSLSH-LMNJBCLMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cc(C)ncn3)C[C@@]2(C)C1 ZINC001091749899 952789353 /nfs/dbraw/zinc/78/93/53/952789353.db2.gz RNHMTEMTKGSLSH-LMNJBCLMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086992993 953025698 /nfs/dbraw/zinc/02/56/98/953025698.db2.gz AOHGDUJVWJSMAM-YTQUADARSA-N 2 1 357.502 1.059 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1 ZINC001092273852 954658819 /nfs/dbraw/zinc/65/88/19/954658819.db2.gz UHGGKURJEYRXPS-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1 ZINC001092273852 954658823 /nfs/dbraw/zinc/65/88/23/954658823.db2.gz UHGGKURJEYRXPS-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1 ZINC001092273852 954658825 /nfs/dbraw/zinc/65/88/25/954658825.db2.gz UHGGKURJEYRXPS-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)C[C@@]3(C)C2)C1 ZINC001092273852 954658830 /nfs/dbraw/zinc/65/88/30/954658830.db2.gz UHGGKURJEYRXPS-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ccccn4)C[C@@]3(C)C2)CC1 ZINC001092300021 954747467 /nfs/dbraw/zinc/74/74/67/954747467.db2.gz PHZOXAPPXNQDDE-KNQAVFIVSA-N 2 1 366.509 1.707 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092615710 955824897 /nfs/dbraw/zinc/82/48/97/955824897.db2.gz NTKBXGDQJQJONF-AFYVEPGGSA-N 2 1 363.546 1.994 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@H]2C)CC1 ZINC001093224458 957855766 /nfs/dbraw/zinc/85/57/66/957855766.db2.gz WVBJVBDITVRGDI-VQIMIIECSA-N 2 1 369.513 1.314 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001093672723 958513878 /nfs/dbraw/zinc/51/38/78/958513878.db2.gz BKVINIJPHVRFHS-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ns2)[C@H](C)C1 ZINC001093833086 958927458 /nfs/dbraw/zinc/92/74/58/958927458.db2.gz QOAZZLVGQGAZOZ-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ns2)[C@H](C)C1 ZINC001093833086 958927463 /nfs/dbraw/zinc/92/74/63/958927463.db2.gz QOAZZLVGQGAZOZ-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001197751966 972413554 /nfs/dbraw/zinc/41/35/54/972413554.db2.gz GLJZCYMXZVWLSA-BMGDILEWSA-N 2 1 355.442 1.397 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110152513 959427614 /nfs/dbraw/zinc/42/76/14/959427614.db2.gz XREXEUWYYBDLHN-HOJAQTOUSA-N 2 1 355.482 1.733 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C2 ZINC001110152513 959427619 /nfs/dbraw/zinc/42/76/19/959427619.db2.gz XREXEUWYYBDLHN-HOJAQTOUSA-N 2 1 355.482 1.733 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](CCCC)C(N)=O)CC1 ZINC001110152064 959524337 /nfs/dbraw/zinc/52/43/37/959524337.db2.gz HSPDUXAAJLJDJF-XWSJACJDSA-N 2 1 374.529 1.097 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](CCCC)C(N)=O)CC1 ZINC001110152064 959524351 /nfs/dbraw/zinc/52/43/51/959524351.db2.gz HSPDUXAAJLJDJF-XWSJACJDSA-N 2 1 374.529 1.097 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159207 960884817 /nfs/dbraw/zinc/88/48/17/960884817.db2.gz DQHDZIKNVMQNFH-SQNIBIBYSA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110159207 960884826 /nfs/dbraw/zinc/88/48/26/960884826.db2.gz DQHDZIKNVMQNFH-SQNIBIBYSA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110159207 960884835 /nfs/dbraw/zinc/88/48/35/960884835.db2.gz DQHDZIKNVMQNFH-SQNIBIBYSA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110159207 960884840 /nfs/dbraw/zinc/88/48/40/960884840.db2.gz DQHDZIKNVMQNFH-SQNIBIBYSA-N 2 1 364.534 1.473 20 30 FDEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178521686 964270699 /nfs/dbraw/zinc/27/06/99/964270699.db2.gz BJAIDIDEQGUERN-DLBZAZTESA-N 2 1 352.523 1.285 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527017 964277421 /nfs/dbraw/zinc/27/74/21/964277421.db2.gz HOWNPEZYMFQKNQ-OKZBNKHCSA-N 2 1 366.550 1.674 20 30 FDEDMP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178981664 964569442 /nfs/dbraw/zinc/56/94/42/964569442.db2.gz BBDFKUJOQYSPAW-LCLWPZTBSA-N 2 1 355.482 1.336 20 30 FDEDMP C[C@H]1[C@@H]([NH2+]CC#Cc2ccccc2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178981664 964569457 /nfs/dbraw/zinc/56/94/57/964569457.db2.gz BBDFKUJOQYSPAW-LCLWPZTBSA-N 2 1 355.482 1.336 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189136448 966787714 /nfs/dbraw/zinc/78/77/14/966787714.db2.gz YGVRBJGGNOCARJ-QKLQHJQFSA-N 2 1 367.509 1.934 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189136448 966787728 /nfs/dbraw/zinc/78/77/28/966787728.db2.gz YGVRBJGGNOCARJ-QKLQHJQFSA-N 2 1 367.509 1.934 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189136448 966787733 /nfs/dbraw/zinc/78/77/33/966787733.db2.gz YGVRBJGGNOCARJ-QKLQHJQFSA-N 2 1 367.509 1.934 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189391036 966935057 /nfs/dbraw/zinc/93/50/57/966935057.db2.gz OGPLWDGJPCJDSS-JENIJYKNSA-N 2 1 359.518 1.946 20 30 FDEDMP CC1(C)C[N@H+](C2(CNC(=O)C#CC3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000852866070 967671614 /nfs/dbraw/zinc/67/16/14/967671614.db2.gz CINFEMDDQKOTKZ-UHFFFAOYSA-N 2 1 361.530 1.919 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCCCOC)C[C@H]32)CC1 ZINC001190318721 967732276 /nfs/dbraw/zinc/73/22/76/967732276.db2.gz TWNPFJMDGGEZRV-VQTJNVASSA-N 2 1 361.530 1.681 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000849106037 977317548 /nfs/dbraw/zinc/31/75/48/977317548.db2.gz PVSFJUGOMZVQBC-GOSISDBHSA-N 2 1 351.539 1.281 20 30 FDEDMP Cc1ccn(-c2ccccc2CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000128770958 979610931 /nfs/dbraw/zinc/61/09/31/979610931.db2.gz YMFWDRDRNGIBNR-UHFFFAOYSA-N 2 1 356.474 1.307 20 30 FDEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000883586673 982286794 /nfs/dbraw/zinc/28/67/94/982286794.db2.gz QDNFTGKIBVEKCE-JLSDUUJJSA-N 2 1 354.458 1.204 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1 ZINC000884152659 982931374 /nfs/dbraw/zinc/93/13/74/982931374.db2.gz QTMCOGZCAWKWOI-FHWLQOOXSA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1 ZINC000884152659 982931376 /nfs/dbraw/zinc/93/13/76/982931376.db2.gz QTMCOGZCAWKWOI-FHWLQOOXSA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CCCOCC)C[C@@H]2C)C1 ZINC000884152659 982931381 /nfs/dbraw/zinc/93/13/81/982931381.db2.gz QTMCOGZCAWKWOI-FHWLQOOXSA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CCCOCC)C[C@@H]2C)C1 ZINC000884152659 982931384 /nfs/dbraw/zinc/93/13/84/982931384.db2.gz QTMCOGZCAWKWOI-FHWLQOOXSA-N 2 1 364.534 1.520 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl)C2 ZINC000884278249 983049290 /nfs/dbraw/zinc/04/92/90/983049290.db2.gz HFCZYWOHPOTDMF-NKCCXGTCSA-N 2 1 358.873 1.952 20 30 FDEDMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884406166 983141519 /nfs/dbraw/zinc/14/15/19/983141519.db2.gz NHWZIDQIKCQLRL-LNSLMDJYSA-N 2 1 366.509 1.901 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000373224282 992030155 /nfs/dbraw/zinc/03/01/55/992030155.db2.gz RMFLZOKQEHFFMC-NHCUHLMSSA-N 2 1 354.498 1.975 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)cc1 ZINC000373224282 992030170 /nfs/dbraw/zinc/03/01/70/992030170.db2.gz RMFLZOKQEHFFMC-NHCUHLMSSA-N 2 1 354.498 1.975 20 30 FDEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000968861216 1015772007 /nfs/dbraw/zinc/77/20/07/1015772007.db2.gz JWZIZUDDHWMHNW-ZCNNSNEGSA-N 2 1 361.530 1.727 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000469793045 993881141 /nfs/dbraw/zinc/88/11/41/993881141.db2.gz BIUTYHGJRPVFQT-YLJYHZDGSA-N 2 1 372.513 1.901 20 30 FDEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000469793045 993881147 /nfs/dbraw/zinc/88/11/47/993881147.db2.gz BIUTYHGJRPVFQT-YLJYHZDGSA-N 2 1 372.513 1.901 20 30 FDEDMP C=CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1OC ZINC000469988658 993926247 /nfs/dbraw/zinc/92/62/47/993926247.db2.gz DDQDAWVKEQSOFY-GOSISDBHSA-N 2 1 373.497 1.904 20 30 FDEDMP Cc1nccn1-c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1F ZINC000264086294 997399779 /nfs/dbraw/zinc/39/97/79/997399779.db2.gz JLRQIMONFPRZGV-UHFFFAOYSA-N 2 1 374.464 1.446 20 30 FDEDMP Cc1ccc([C@H](CNC(=[NH2+])NCCCN2CCOCC2)[NH+]2CCCC2)o1 ZINC000264257718 997440694 /nfs/dbraw/zinc/44/06/94/997440694.db2.gz ILDLTDSNHGKEKC-KRWDZBQOSA-N 2 1 363.506 1.352 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000890369518 998917188 /nfs/dbraw/zinc/91/71/88/998917188.db2.gz XNTZPKGKCZTWHZ-QGZVFWFLSA-N 2 1 350.507 1.226 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000890369518 998917191 /nfs/dbraw/zinc/91/71/91/998917191.db2.gz XNTZPKGKCZTWHZ-QGZVFWFLSA-N 2 1 350.507 1.226 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1c2ccccc2OCC1=O ZINC000267451763 999339536 /nfs/dbraw/zinc/33/95/36/999339536.db2.gz RSBGKFZGBYNBDU-OAHLLOKOSA-N 2 1 359.474 1.191 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000271686788 999725159 /nfs/dbraw/zinc/72/51/59/999725159.db2.gz QMDWDCOHQARBSW-LPHOPBHVSA-N 2 1 358.486 1.682 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000284862210 999874628 /nfs/dbraw/zinc/87/46/28/999874628.db2.gz FPTMWVYDUCZMAG-UHFFFAOYSA-N 2 1 358.486 1.001 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000190537100 1003777915 /nfs/dbraw/zinc/77/79/15/1003777915.db2.gz XGQOVIIFQVBIBT-VQTJNVASSA-N 3 1 373.545 1.666 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190537100 1003777922 /nfs/dbraw/zinc/77/79/22/1003777922.db2.gz XGQOVIIFQVBIBT-VQTJNVASSA-N 3 1 373.545 1.666 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000190537100 1003777931 /nfs/dbraw/zinc/77/79/31/1003777931.db2.gz XGQOVIIFQVBIBT-VQTJNVASSA-N 3 1 373.545 1.666 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932916736 1005242972 /nfs/dbraw/zinc/24/29/72/1005242972.db2.gz VHZKNEYQFDTFSR-UONOGXRCSA-N 2 1 363.428 1.888 20 30 FDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304496190 1010226415 /nfs/dbraw/zinc/22/64/15/1010226415.db2.gz NQBFDPNAOITJOR-DLBZAZTESA-N 2 1 373.501 1.357 20 30 FDEDMP COC(=O)c1cccc(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c1C#N ZINC000779653842 1010660126 /nfs/dbraw/zinc/66/01/26/1010660126.db2.gz XSCPHSXGNCYKDU-MRXNPFEDSA-N 2 1 360.414 1.453 20 30 FDEDMP COC(=O)c1cccc(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c1C#N ZINC000779653842 1010660131 /nfs/dbraw/zinc/66/01/31/1010660131.db2.gz XSCPHSXGNCYKDU-MRXNPFEDSA-N 2 1 360.414 1.453 20 30 FDEDMP COc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000961850589 1012941929 /nfs/dbraw/zinc/94/19/29/1012941929.db2.gz ZATKKAGUZVIIFU-WLHONDITSA-N 2 1 370.497 1.891 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 ZINC000127170836 173066789 /nfs/dbraw/zinc/06/67/89/173066789.db2.gz RGYNXKFAAMOXRM-HXUWFJFHSA-N 2 1 370.497 1.468 20 30 FDEDMP C=CCOc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000556963795 544225499 /nfs/dbraw/zinc/22/54/99/544225499.db2.gz IXRDRCSWHKCEFS-PMACEKPBSA-N 2 1 370.497 1.972 20 30 FDEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016997 521781659 /nfs/dbraw/zinc/78/16/59/521781659.db2.gz UAXZDYWAWPJULH-OKZBNKHCSA-N 2 1 364.534 1.816 20 30 FDEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016997 521781674 /nfs/dbraw/zinc/78/16/74/521781674.db2.gz UAXZDYWAWPJULH-OKZBNKHCSA-N 2 1 364.534 1.816 20 30 FDEDMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000328631696 523042178 /nfs/dbraw/zinc/04/21/78/523042178.db2.gz RIFCOVXNGPYFQB-MAUKXSAKSA-N 2 1 362.522 1.743 20 30 FDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1c(F)cccc1Cl ZINC000088754758 524467493 /nfs/dbraw/zinc/46/74/93/524467493.db2.gz DWVPZKMOBRLCBO-CYBMUJFWSA-N 2 1 355.889 1.732 20 30 FDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000088818742 524474740 /nfs/dbraw/zinc/47/47/40/524474740.db2.gz FQBNRFNMPBFMJM-IBGZPJMESA-N 2 1 369.517 1.125 20 30 FDEDMP O=C(NCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1N=CC=CC1=O ZINC000174392698 524561824 /nfs/dbraw/zinc/56/18/24/524561824.db2.gz BABWSGMACXPSOG-VXPUYCOJSA-N 2 1 354.454 1.767 20 30 FDEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729236 524709843 /nfs/dbraw/zinc/70/98/43/524709843.db2.gz MMTPYOUIMPHINU-LJQANCHMSA-N 2 1 371.529 1.891 20 30 FDEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000174877149 524772070 /nfs/dbraw/zinc/77/20/70/524772070.db2.gz VIIKJQYMMVZPOL-IBGZPJMESA-N 2 1 369.513 1.989 20 30 FDEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000174877149 524772076 /nfs/dbraw/zinc/77/20/76/524772076.db2.gz VIIKJQYMMVZPOL-IBGZPJMESA-N 2 1 369.513 1.989 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1OC ZINC000104165325 525397708 /nfs/dbraw/zinc/39/77/08/525397708.db2.gz YCQWOPSMUODOTA-AWEZNQCLSA-N 2 1 350.463 1.601 20 30 FDEDMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000106164920 525646064 /nfs/dbraw/zinc/64/60/64/525646064.db2.gz RSHJHTGNPQIHFJ-SFHVURJKSA-N 2 1 354.454 1.986 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305242 525939065 /nfs/dbraw/zinc/93/90/65/525939065.db2.gz PUKFHKZNQUEADC-XHSDSOJGSA-N 2 1 366.506 1.208 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171305242 525939068 /nfs/dbraw/zinc/93/90/68/525939068.db2.gz PUKFHKZNQUEADC-XHSDSOJGSA-N 2 1 366.506 1.208 20 30 FDEDMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000185581172 536212633 /nfs/dbraw/zinc/21/26/33/536212633.db2.gz ODDZCIDSTKZGAA-KRWDZBQOSA-N 2 1 357.502 1.084 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OC2CCOCC2)c1 ZINC000267398011 536976084 /nfs/dbraw/zinc/97/60/84/536976084.db2.gz FGMDSELYMGXOEY-MRXNPFEDSA-N 2 1 361.490 1.528 20 30 FDEDMP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371341970 537820474 /nfs/dbraw/zinc/82/04/74/537820474.db2.gz SYGGZNXEXQFAGY-SFHVURJKSA-N 2 1 363.550 1.485 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2)C[C@H](C)O1 ZINC000565954289 547545932 /nfs/dbraw/zinc/54/59/32/547545932.db2.gz LLDKBOZJAXOIND-GQIGUUNPSA-N 2 1 358.486 1.869 20 30 FDEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000573721955 550200703 /nfs/dbraw/zinc/20/07/03/550200703.db2.gz QRKMLJSEOHPOHK-KRWDZBQOSA-N 2 1 351.539 1.533 20 30 FDEDMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327478 550453692 /nfs/dbraw/zinc/45/36/92/550453692.db2.gz XLLNRGVFYGGUPV-LJQANCHMSA-N 2 1 355.486 1.719 20 30 FDEDMP OC[C@H]([NH2+]CC#CC[NH2+][C@@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000578531503 550774091 /nfs/dbraw/zinc/77/40/91/550774091.db2.gz LHHLBXYVYBLGHQ-PMACEKPBSA-N 2 1 360.404 1.914 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000591728853 551904245 /nfs/dbraw/zinc/90/42/45/551904245.db2.gz ZRBKDIZNAXZCOY-IAGOWNOFSA-N 2 1 350.532 1.756 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000591728853 551904246 /nfs/dbraw/zinc/90/42/46/551904246.db2.gz ZRBKDIZNAXZCOY-IAGOWNOFSA-N 2 1 350.532 1.756 20 30 FDEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)N1CC[NH+](C)CC1 ZINC000593882882 552216220 /nfs/dbraw/zinc/21/62/20/552216220.db2.gz NKHLRTSCEOZNFF-KRWDZBQOSA-N 2 1 369.513 1.275 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593882348 552216438 /nfs/dbraw/zinc/21/64/38/552216438.db2.gz INFIGDPDQPEWEU-LJQANCHMSA-N 2 1 356.470 1.360 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593882348 552216439 /nfs/dbraw/zinc/21/64/39/552216439.db2.gz INFIGDPDQPEWEU-LJQANCHMSA-N 2 1 356.470 1.360 20 30 FDEDMP CC(C)C[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000595513298 552576499 /nfs/dbraw/zinc/57/64/99/552576499.db2.gz UEGIIUNROPPWPL-UHFFFAOYSA-N 2 1 358.486 1.959 20 30 FDEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595948519 552637116 /nfs/dbraw/zinc/63/71/16/552637116.db2.gz MCSYLUYYVLIMKK-RTBURBONSA-N 2 1 357.502 1.330 20 30 FDEDMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595948519 552637118 /nfs/dbraw/zinc/63/71/18/552637118.db2.gz MCSYLUYYVLIMKK-RTBURBONSA-N 2 1 357.502 1.330 20 30 FDEDMP C[NH+]1CCN([C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000598703361 552926966 /nfs/dbraw/zinc/92/69/66/552926966.db2.gz GZIXGEGLVPXTIZ-HOTGVXAUSA-N 2 1 350.532 1.927 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844322 553649453 /nfs/dbraw/zinc/64/94/53/553649453.db2.gz AMQDUEQXYWDGHL-LJQANCHMSA-N 2 1 352.438 1.905 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000186871356 672276949 /nfs/dbraw/zinc/27/69/49/672276949.db2.gz GRHZTZDZOUROGZ-LBPRGKRZSA-N 2 1 363.453 1.535 20 30 FDEDMP C[NH+]=C(NC[C@]1(N(C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262762004 672843999 /nfs/dbraw/zinc/84/39/99/672843999.db2.gz GFIOZQYYGXMJEU-YCXXCVGLSA-N 2 1 353.580 1.604 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262762004 672844002 /nfs/dbraw/zinc/84/40/02/672844002.db2.gz GFIOZQYYGXMJEU-YCXXCVGLSA-N 3 1 353.580 1.604 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262762004 672844006 /nfs/dbraw/zinc/84/40/06/672844006.db2.gz GFIOZQYYGXMJEU-YCXXCVGLSA-N 3 1 353.580 1.604 20 30 FDEDMP CO[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000267405303 673300451 /nfs/dbraw/zinc/30/04/51/673300451.db2.gz GWKCTBYDLHJODP-MRXNPFEDSA-N 2 1 354.882 1.654 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNc1nc2ccccc2s1 ZINC000303873831 676543349 /nfs/dbraw/zinc/54/33/49/676543349.db2.gz GXIUXNPWGUFHTA-UHFFFAOYSA-N 2 1 362.503 1.335 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750305 676544427 /nfs/dbraw/zinc/54/44/27/676544427.db2.gz IGGBUDXKVVKEFI-CABCVRRESA-N 2 1 355.527 1.924 20 30 FDEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000329541920 676643447 /nfs/dbraw/zinc/64/34/47/676643447.db2.gz NOQKPWCGHRZHLI-YESZJQIVSA-N 2 1 352.523 1.552 20 30 FDEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000329541920 676643448 /nfs/dbraw/zinc/64/34/48/676643448.db2.gz NOQKPWCGHRZHLI-YESZJQIVSA-N 2 1 352.523 1.552 20 30 FDEDMP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCC[N@H+]2C)n1 ZINC000329895350 676662765 /nfs/dbraw/zinc/66/27/65/676662765.db2.gz BTYXCBAVLKCVOK-IHRRRGAJSA-N 2 1 350.442 1.510 20 30 FDEDMP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@@H]2CCCN2C)n1 ZINC000329895350 676662772 /nfs/dbraw/zinc/66/27/72/676662772.db2.gz BTYXCBAVLKCVOK-IHRRRGAJSA-N 2 1 350.442 1.510 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)CC1 ZINC000363250896 676943711 /nfs/dbraw/zinc/94/37/11/676943711.db2.gz VPXQHCXAAVJWNM-UHFFFAOYSA-N 2 1 350.507 1.533 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(CC#N)CC1 ZINC000516683083 689981553 /nfs/dbraw/zinc/98/15/53/689981553.db2.gz YOXOVJZSBVSXIV-MRXNPFEDSA-N 2 1 356.536 1.358 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(CC#N)CC1 ZINC000516683083 689981557 /nfs/dbraw/zinc/98/15/57/689981557.db2.gz YOXOVJZSBVSXIV-MRXNPFEDSA-N 2 1 356.536 1.358 20 30 FDEDMP CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921623 721848353 /nfs/dbraw/zinc/84/83/53/721848353.db2.gz OPQYKBXDOFSGQS-RTBURBONSA-N 2 1 354.502 1.204 20 30 FDEDMP CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921623 721848354 /nfs/dbraw/zinc/84/83/54/721848354.db2.gz OPQYKBXDOFSGQS-RTBURBONSA-N 2 1 354.502 1.204 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC2CCC2)C1 ZINC001104305975 774436950 /nfs/dbraw/zinc/43/69/50/774436950.db2.gz DADHFGGJTXXUDU-GGPKGHCWSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOC2CCC2)C1 ZINC001104305975 774436954 /nfs/dbraw/zinc/43/69/54/774436954.db2.gz DADHFGGJTXXUDU-GGPKGHCWSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncn2C)C1 ZINC001104306252 774441854 /nfs/dbraw/zinc/44/18/54/774441854.db2.gz SYMFTUGLHQCEQK-LMMKCTJWSA-N 2 1 357.502 1.092 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncn2C)C1 ZINC001104306252 774441857 /nfs/dbraw/zinc/44/18/57/774441857.db2.gz SYMFTUGLHQCEQK-LMMKCTJWSA-N 2 1 357.502 1.092 20 30 FDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518410 783630730 /nfs/dbraw/zinc/63/07/30/783630730.db2.gz HVRCWTQXNJUBLT-WFXMLNOXSA-N 2 1 354.498 1.996 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC001024998633 787108903 /nfs/dbraw/zinc/10/89/03/787108903.db2.gz HWIDCDLBBJXPIC-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC001024998633 787108912 /nfs/dbraw/zinc/10/89/12/787108912.db2.gz HWIDCDLBBJXPIC-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001211688122 805938682 /nfs/dbraw/zinc/93/86/82/805938682.db2.gz PKVGRZSQUBCXRC-VQTJNVASSA-N 2 1 357.498 1.869 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932710 794451041 /nfs/dbraw/zinc/45/10/41/794451041.db2.gz IUICKFUMMVGNLZ-FGTMMUONSA-N 2 1 366.550 1.483 20 30 FDEDMP CC[N@H+]1CCC[C@H](NC(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000330239018 795418715 /nfs/dbraw/zinc/41/87/15/795418715.db2.gz IBHCYWDPTDRRIQ-PZJWPPBQSA-N 2 1 374.529 1.954 20 30 FDEDMP CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000330239018 795418720 /nfs/dbraw/zinc/41/87/20/795418720.db2.gz IBHCYWDPTDRRIQ-PZJWPPBQSA-N 2 1 374.529 1.954 20 30 FDEDMP CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000330239018 795418727 /nfs/dbraw/zinc/41/87/27/795418727.db2.gz IBHCYWDPTDRRIQ-PZJWPPBQSA-N 2 1 374.529 1.954 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000364347614 795795824 /nfs/dbraw/zinc/79/58/24/795795824.db2.gz OFEMHFXWDBFHDS-KZNAEPCWSA-N 2 1 362.518 1.808 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000364347614 795795830 /nfs/dbraw/zinc/79/58/30/795795830.db2.gz OFEMHFXWDBFHDS-KZNAEPCWSA-N 2 1 362.518 1.808 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3C#N)C2)O1 ZINC001026916080 800172479 /nfs/dbraw/zinc/17/24/79/800172479.db2.gz AADYYXJKSZZOTI-GPMSIDNRSA-N 2 1 356.470 1.215 20 30 FDEDMP C=CC[C@@]1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC[NH2+]1 ZINC000662534073 806833376 /nfs/dbraw/zinc/83/33/76/806833376.db2.gz CROAELGRJZFENF-INIZCTEOSA-N 2 1 363.424 1.798 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261931064 811346477 /nfs/dbraw/zinc/34/64/77/811346477.db2.gz BJIIUCFFADJUOR-YJBOKZPZSA-N 2 1 369.517 1.969 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366411548 811996186 /nfs/dbraw/zinc/99/61/86/811996186.db2.gz YZBKKNOUEKWSKG-GOSISDBHSA-N 2 1 371.485 1.395 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366411548 811996189 /nfs/dbraw/zinc/99/61/89/811996189.db2.gz YZBKKNOUEKWSKG-GOSISDBHSA-N 2 1 371.485 1.395 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000330437218 819613979 /nfs/dbraw/zinc/61/39/79/819613979.db2.gz ROTGULRDVPTUIZ-HLIPFELVSA-N 2 1 364.534 1.862 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CCC#N)c1C ZINC000896042316 823976319 /nfs/dbraw/zinc/97/63/19/823976319.db2.gz GYMSUWNXGPFTGH-QGZVFWFLSA-N 2 1 360.506 1.593 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994178 825003067 /nfs/dbraw/zinc/00/30/67/825003067.db2.gz VHGIXMNQFWDWNZ-CEXWTWQISA-N 2 1 359.518 1.560 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994178 825003075 /nfs/dbraw/zinc/00/30/75/825003075.db2.gz VHGIXMNQFWDWNZ-CEXWTWQISA-N 2 1 359.518 1.560 20 30 FDEDMP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000330207804 825733444 /nfs/dbraw/zinc/73/34/44/825733444.db2.gz ANUBNVOZYISTID-NSHGMRRFSA-N 2 1 372.513 1.610 20 30 FDEDMP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000330207804 825733450 /nfs/dbraw/zinc/73/34/50/825733450.db2.gz ANUBNVOZYISTID-NSHGMRRFSA-N 2 1 372.513 1.610 20 30 FDEDMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000330207804 825733457 /nfs/dbraw/zinc/73/34/57/825733457.db2.gz ANUBNVOZYISTID-NSHGMRRFSA-N 2 1 372.513 1.610 20 30 FDEDMP C[N@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)C2)C1 ZINC000330212827 825736265 /nfs/dbraw/zinc/73/62/65/825736265.db2.gz KMFYOFOATJPYFF-HBFSDRIKSA-N 2 1 364.534 1.696 20 30 FDEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000330298680 825826296 /nfs/dbraw/zinc/82/62/96/825826296.db2.gz LUZAVZBPTQDCGK-KRWDZBQOSA-N 2 1 361.490 1.989 20 30 FDEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000330298680 825826305 /nfs/dbraw/zinc/82/63/05/825826305.db2.gz LUZAVZBPTQDCGK-KRWDZBQOSA-N 2 1 361.490 1.989 20 30 FDEDMP C#CCNC(=O)c1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)nc1 ZINC000301847783 827676599 /nfs/dbraw/zinc/67/65/99/827676599.db2.gz NQXTYMJIQMSUHE-DFNIBXOVSA-N 2 1 367.497 1.192 20 30 FDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000451606248 830401195 /nfs/dbraw/zinc/40/11/95/830401195.db2.gz NAACAIBEBHIAQU-UXHICEINSA-N 2 1 357.498 1.962 20 30 FDEDMP C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262782788 831420132 /nfs/dbraw/zinc/42/01/32/831420132.db2.gz LLYQKLCQBCTPGA-ALOPSCKCSA-N 2 1 373.501 1.302 20 30 FDEDMP C#CCC[NH+]1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272050321 838427473 /nfs/dbraw/zinc/42/74/73/838427473.db2.gz UGAJXZOAUUNQEV-PZJWPPBQSA-N 2 1 368.525 1.407 20 30 FDEDMP C#CCC[NH+]1CCN([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272050321 838427478 /nfs/dbraw/zinc/42/74/78/838427478.db2.gz UGAJXZOAUUNQEV-PZJWPPBQSA-N 2 1 368.525 1.407 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC001075943165 840956941 /nfs/dbraw/zinc/95/69/41/840956941.db2.gz DXTBNEKNNSIZEW-XWPNQZOQSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC001075943165 840956944 /nfs/dbraw/zinc/95/69/44/840956944.db2.gz DXTBNEKNNSIZEW-XWPNQZOQSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC001075943165 840956949 /nfs/dbraw/zinc/95/69/49/840956949.db2.gz DXTBNEKNNSIZEW-XWPNQZOQSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC001075943165 840956953 /nfs/dbraw/zinc/95/69/53/840956953.db2.gz DXTBNEKNNSIZEW-XWPNQZOQSA-N 2 1 368.481 1.310 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105643418 842335760 /nfs/dbraw/zinc/33/57/60/842335760.db2.gz XYKHUJZTFGUFNJ-LFGUQSLTSA-N 2 1 358.486 1.181 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC001076365685 847965245 /nfs/dbraw/zinc/96/52/45/847965245.db2.gz JMBPJLLMVRSTFT-VQTJNVASSA-N 2 1 368.481 1.313 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)cc1 ZINC001076365685 847965250 /nfs/dbraw/zinc/96/52/50/847965250.db2.gz JMBPJLLMVRSTFT-VQTJNVASSA-N 2 1 368.481 1.313 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462498 848213918 /nfs/dbraw/zinc/21/39/18/848213918.db2.gz XEKFZYLLTPDGDS-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462498 848213929 /nfs/dbraw/zinc/21/39/29/848213929.db2.gz XEKFZYLLTPDGDS-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462498 848213939 /nfs/dbraw/zinc/21/39/39/848213939.db2.gz XEKFZYLLTPDGDS-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCCCO4)C[C@H]32)CC1 ZINC001076605480 848555676 /nfs/dbraw/zinc/55/56/76/848555676.db2.gz BXKSOSKVBONMGA-XUVXKRRUSA-N 2 1 359.514 1.433 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)c1 ZINC001083559778 849551714 /nfs/dbraw/zinc/55/17/14/849551714.db2.gz BSHXCOLOPFDMJQ-MOPGFXCFSA-N 2 1 368.481 1.096 20 30 FDEDMP N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)c1 ZINC001083559778 849551718 /nfs/dbraw/zinc/55/17/18/849551718.db2.gz BSHXCOLOPFDMJQ-MOPGFXCFSA-N 2 1 368.481 1.096 20 30 FDEDMP CNC(=O)C[NH+]1CCC(NC(NCc2cc3ccccc3[nH]2)=[NH+]C)CC1 ZINC000911600969 858824750 /nfs/dbraw/zinc/82/47/50/858824750.db2.gz BXBKMURKRAFVMX-UHFFFAOYSA-N 2 1 356.474 1.043 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000913977005 870189233 /nfs/dbraw/zinc/18/92/33/870189233.db2.gz DGDUJOFUECARNV-HZPDHXFCSA-N 2 1 350.507 1.271 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357741 874895919 /nfs/dbraw/zinc/89/59/19/874895919.db2.gz MIUTYDXDDIFVKE-QRVBRYPASA-N 2 1 351.535 1.994 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000917091633 882970484 /nfs/dbraw/zinc/97/04/84/882970484.db2.gz AABQSHIQPUIJPH-DLBZAZTESA-N 2 1 352.548 1.906 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570913 875999086 /nfs/dbraw/zinc/99/90/86/875999086.db2.gz FJOAREAMPGZXQH-CEXWTWQISA-N 2 1 351.535 1.995 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591140 876060236 /nfs/dbraw/zinc/06/02/36/876060236.db2.gz OYQPOBDFRCBLEH-KBAYOESNSA-N 2 1 360.502 1.641 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC001005577059 884684239 /nfs/dbraw/zinc/68/42/39/884684239.db2.gz ZCVSCCRUOGLORC-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC001005577059 884684246 /nfs/dbraw/zinc/68/42/46/884684246.db2.gz ZCVSCCRUOGLORC-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129084698 885712684 /nfs/dbraw/zinc/71/26/84/885712684.db2.gz UHPRRSLYSYOXQH-SJORKVTESA-N 2 1 360.506 1.459 20 30 FDEDMP C=CC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129084698 885712693 /nfs/dbraw/zinc/71/26/93/885712693.db2.gz UHPRRSLYSYOXQH-SJORKVTESA-N 2 1 360.506 1.459 20 30 FDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129084698 885712702 /nfs/dbraw/zinc/71/27/02/885712702.db2.gz UHPRRSLYSYOXQH-SJORKVTESA-N 2 1 360.506 1.459 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129084698 885712716 /nfs/dbraw/zinc/71/27/16/885712716.db2.gz UHPRRSLYSYOXQH-SJORKVTESA-N 2 1 360.506 1.459 20 30 FDEDMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000187056611 887734563 /nfs/dbraw/zinc/73/45/63/887734563.db2.gz DKKXJDWNVVHVGV-HXUWFJFHSA-N 2 1 373.545 1.524 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)C[C@@H]2O)CC1 ZINC001084088044 913360252 /nfs/dbraw/zinc/36/02/52/913360252.db2.gz NHZGPJZELYGYNW-WMQCIHAUSA-N 2 1 369.509 1.563 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001212437019 897932766 /nfs/dbraw/zinc/93/27/66/897932766.db2.gz WBNYEIZJJGFYMF-QRVBRYPASA-N 2 1 358.486 1.460 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@H]2O)CC1 ZINC001078227281 898429469 /nfs/dbraw/zinc/42/94/69/898429469.db2.gz SJRHDWXZHGUFFL-WOJBJXKFSA-N 2 1 359.514 1.383 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079210845 902118840 /nfs/dbraw/zinc/11/88/40/902118840.db2.gz DLXDGUMBSAYZTH-OTWHNJEPSA-N 2 1 359.445 1.064 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079210845 902118860 /nfs/dbraw/zinc/11/88/60/902118860.db2.gz DLXDGUMBSAYZTH-OTWHNJEPSA-N 2 1 359.445 1.064 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270267 902328056 /nfs/dbraw/zinc/32/80/56/902328056.db2.gz JYGJYYKOJXIERQ-GBESFXJTSA-N 2 1 361.530 1.844 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710372 903120074 /nfs/dbraw/zinc/12/00/74/903120074.db2.gz FPHFNSPHZFIGKG-FSPWUOQZSA-N 2 1 358.511 1.898 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710372 903120078 /nfs/dbraw/zinc/12/00/78/903120078.db2.gz FPHFNSPHZFIGKG-FSPWUOQZSA-N 2 1 358.511 1.898 20 30 FDEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107438895 904915738 /nfs/dbraw/zinc/91/57/38/904915738.db2.gz MNJFJRDSJKOCAM-YLJYHZDGSA-N 2 1 362.518 1.134 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438895 904915744 /nfs/dbraw/zinc/91/57/44/904915744.db2.gz MNJFJRDSJKOCAM-YLJYHZDGSA-N 2 1 362.518 1.134 20 30 FDEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107438895 904915749 /nfs/dbraw/zinc/91/57/49/904915749.db2.gz MNJFJRDSJKOCAM-YLJYHZDGSA-N 2 1 362.518 1.134 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2C)CC1 ZINC001080998078 906973999 /nfs/dbraw/zinc/97/39/99/906973999.db2.gz RLWNBGUGWXTXCW-OXQOHEQNSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2C)CC1 ZINC001080998127 906976039 /nfs/dbraw/zinc/97/60/39/906976039.db2.gz UBZHMJYRKGSHMM-YLJYHZDGSA-N 2 1 354.498 1.672 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001082558421 908600847 /nfs/dbraw/zinc/60/08/47/908600847.db2.gz PKXPESMWRUMVFL-XYPHTWIQSA-N 2 1 355.910 1.819 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C[C@H]2C)cc1C#N ZINC001082740777 909935849 /nfs/dbraw/zinc/93/58/49/909935849.db2.gz GGNBLSHPKXKTMO-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403577 911185737 /nfs/dbraw/zinc/18/57/37/911185737.db2.gz NKIMXCWSEJXYNL-KZNAEPCWSA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403577 911185742 /nfs/dbraw/zinc/18/57/42/911185742.db2.gz NKIMXCWSEJXYNL-KZNAEPCWSA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403577 911185746 /nfs/dbraw/zinc/18/57/46/911185746.db2.gz NKIMXCWSEJXYNL-KZNAEPCWSA-N 2 1 353.507 1.267 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC000731846866 918676812 /nfs/dbraw/zinc/67/68/12/918676812.db2.gz QGGANYDHIBZBNO-UHFFFAOYSA-N 2 1 370.497 1.965 20 30 FDEDMP C#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040104 919990926 /nfs/dbraw/zinc/99/09/26/919990926.db2.gz LVQZNAGKEPTHEA-CGXNFDGLSA-N 2 1 351.494 1.888 20 30 FDEDMP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040104 919990928 /nfs/dbraw/zinc/99/09/28/919990928.db2.gz LVQZNAGKEPTHEA-CGXNFDGLSA-N 2 1 351.494 1.888 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]21 ZINC001085040104 919990931 /nfs/dbraw/zinc/99/09/31/919990931.db2.gz LVQZNAGKEPTHEA-CGXNFDGLSA-N 2 1 351.494 1.888 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000734364957 923260834 /nfs/dbraw/zinc/26/08/34/923260834.db2.gz NBNGCDJGHVGGLF-OAHLLOKOSA-N 2 1 362.547 1.695 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nncs2)CC1 ZINC001085432840 924680280 /nfs/dbraw/zinc/68/02/80/924680280.db2.gz SIVFMHJQACZTKQ-HZPDHXFCSA-N 2 1 361.515 1.400 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086090690 925950749 /nfs/dbraw/zinc/95/07/49/925950749.db2.gz MNZYCZXKGMQXKO-SKWUIDRYSA-N 2 1 370.497 1.891 20 30 FDEDMP COc1ccc(C[NH2+][C@H]2C[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001086370913 926882128 /nfs/dbraw/zinc/88/21/28/926882128.db2.gz FZYTZTFSJHSOMF-YCEFEEMOSA-N 2 1 370.497 1.891 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890136 930692510 /nfs/dbraw/zinc/69/25/10/930692510.db2.gz IZULMKHUECGGGL-QYZOEREBSA-N 2 1 367.453 1.805 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001109890136 930692521 /nfs/dbraw/zinc/69/25/21/930692521.db2.gz IZULMKHUECGGGL-QYZOEREBSA-N 2 1 367.453 1.805 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C#N)cn1 ZINC000780658535 930793253 /nfs/dbraw/zinc/79/32/53/930793253.db2.gz QOCLLTOIVZGZBJ-SFHVURJKSA-N 2 1 358.490 1.511 20 30 FDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365529 933615353 /nfs/dbraw/zinc/61/53/53/933615353.db2.gz NRDCLEGKMPLDMG-UXHICEINSA-N 2 1 357.498 1.679 20 30 FDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001113365529 933615359 /nfs/dbraw/zinc/61/53/59/933615359.db2.gz NRDCLEGKMPLDMG-UXHICEINSA-N 2 1 357.498 1.679 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892064 938542610 /nfs/dbraw/zinc/54/26/10/938542610.db2.gz FSGLAIMBHLXDDF-QRVBRYPASA-N 2 1 370.501 1.050 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129900073 938559828 /nfs/dbraw/zinc/55/98/28/938559828.db2.gz ZPIYACLDJOMDHH-KSZLIROESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980410 938595451 /nfs/dbraw/zinc/59/54/51/938595451.db2.gz JUSGTBUFICYFBU-FJIDUMEYSA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030472 938631957 /nfs/dbraw/zinc/63/19/57/938631957.db2.gz BWMJVVPBFKARHZ-SQNIBIBYSA-N 2 1 360.506 1.459 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C(C)C)[NH+](C)C)n[nH]2)O1 ZINC001130787188 940154927 /nfs/dbraw/zinc/15/49/27/940154927.db2.gz DDDGHEANPMUFBO-LZWOXQAQSA-N 2 1 364.494 1.003 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131008014 940434516 /nfs/dbraw/zinc/43/45/16/940434516.db2.gz RVVUCAVSZYAHSN-GUDVDZBRSA-N 2 1 371.529 1.305 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131022834 940456495 /nfs/dbraw/zinc/45/64/95/940456495.db2.gz ILAVVNXOFULGSU-QRVBRYPASA-N 2 1 371.529 1.448 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001086664897 940552174 /nfs/dbraw/zinc/55/21/74/940552174.db2.gz ICRBZASCZQUUCL-IPELMVKDSA-N 2 1 356.470 1.263 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001086664897 940552175 /nfs/dbraw/zinc/55/21/75/940552175.db2.gz ICRBZASCZQUUCL-IPELMVKDSA-N 2 1 356.470 1.263 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001131564498 940740513 /nfs/dbraw/zinc/74/05/13/940740513.db2.gz MANOJJSDAXGPIG-QUCCMNQESA-N 2 1 363.546 1.973 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC001086720958 941621277 /nfs/dbraw/zinc/62/12/77/941621277.db2.gz XUDGONBKPXTHAK-BBWFWOEESA-N 2 1 360.527 1.924 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncc(C)s2)C1 ZINC001086720958 941621278 /nfs/dbraw/zinc/62/12/78/941621278.db2.gz XUDGONBKPXTHAK-BBWFWOEESA-N 2 1 360.527 1.924 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000815652800 941933674 /nfs/dbraw/zinc/93/36/74/941933674.db2.gz UDEMMJRAWZNPPN-ICSRJNTNSA-N 2 1 373.497 1.957 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000815652800 941933676 /nfs/dbraw/zinc/93/36/76/941933676.db2.gz UDEMMJRAWZNPPN-ICSRJNTNSA-N 2 1 373.497 1.957 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000818588975 943297106 /nfs/dbraw/zinc/29/71/06/943297106.db2.gz LLCXSNOFMCQGDU-QZTJIDSGSA-N 2 1 357.498 1.981 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000818588975 943297110 /nfs/dbraw/zinc/29/71/10/943297110.db2.gz LLCXSNOFMCQGDU-QZTJIDSGSA-N 2 1 357.498 1.981 20 30 FDEDMP CN(CCC#N)C[C@@H](O)CNc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000819468848 943604298 /nfs/dbraw/zinc/60/42/98/943604298.db2.gz WCPXXPNUYZWVJC-KRWDZBQOSA-N 2 1 360.502 1.434 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594488 971064969 /nfs/dbraw/zinc/06/49/69/971064969.db2.gz PDUAQKKTVABXQP-KURKYZTESA-N 2 1 353.507 1.003 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594488 971064978 /nfs/dbraw/zinc/06/49/78/971064978.db2.gz PDUAQKKTVABXQP-KURKYZTESA-N 2 1 353.507 1.003 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594488 971064989 /nfs/dbraw/zinc/06/49/89/971064989.db2.gz PDUAQKKTVABXQP-KURKYZTESA-N 2 1 353.507 1.003 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594488 971065002 /nfs/dbraw/zinc/06/50/02/971065002.db2.gz PDUAQKKTVABXQP-KURKYZTESA-N 2 1 353.507 1.003 20 30 FDEDMP C=CC[C@H](CO)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823888511 946500449 /nfs/dbraw/zinc/50/04/49/946500449.db2.gz PDTIBUJJNZQGBO-INIZCTEOSA-N 2 1 356.474 1.605 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597176 971245825 /nfs/dbraw/zinc/24/58/25/971245825.db2.gz FMSFUJRYGVMOPE-VQIMIIECSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597176 971245830 /nfs/dbraw/zinc/24/58/30/971245830.db2.gz FMSFUJRYGVMOPE-VQIMIIECSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597176 971245835 /nfs/dbraw/zinc/24/58/35/971245835.db2.gz FMSFUJRYGVMOPE-VQIMIIECSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597176 971245841 /nfs/dbraw/zinc/24/58/41/971245841.db2.gz FMSFUJRYGVMOPE-VQIMIIECSA-N 2 1 358.486 1.513 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001171071102 946865666 /nfs/dbraw/zinc/86/56/66/946865666.db2.gz PPUYPSKVVRYDFJ-JKSUJKDBSA-N 2 1 372.473 1.793 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090881109 947598811 /nfs/dbraw/zinc/59/88/11/947598811.db2.gz ZUZJBNAELGMDFP-LSTHTHJFSA-N 2 1 355.482 1.554 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000845220254 948825533 /nfs/dbraw/zinc/82/55/33/948825533.db2.gz GAWXGGBVUQZDQO-UHFFFAOYSA-N 2 1 367.497 1.777 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086993066 953025586 /nfs/dbraw/zinc/02/55/86/953025586.db2.gz FNRPTLCEZDQCFL-YTQUADARSA-N 2 1 359.518 1.612 20 30 FDEDMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001092275955 954670715 /nfs/dbraw/zinc/67/07/15/954670715.db2.gz YEAMKVKSHXHVRG-CTNGQTDRSA-N 2 1 352.482 1.934 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505371 955278903 /nfs/dbraw/zinc/27/89/03/955278903.db2.gz NRSMHSIEARUKDL-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092505371 955278911 /nfs/dbraw/zinc/27/89/11/955278911.db2.gz NRSMHSIEARUKDL-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092505371 955278917 /nfs/dbraw/zinc/27/89/17/955278917.db2.gz NRSMHSIEARUKDL-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522047 955314072 /nfs/dbraw/zinc/31/40/72/955314072.db2.gz JWNYQTWAHUFUPB-CPUCHLNUSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522047 955314083 /nfs/dbraw/zinc/31/40/83/955314083.db2.gz JWNYQTWAHUFUPB-CPUCHLNUSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092522047 955314093 /nfs/dbraw/zinc/31/40/93/955314093.db2.gz JWNYQTWAHUFUPB-CPUCHLNUSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092522047 955314098 /nfs/dbraw/zinc/31/40/98/955314098.db2.gz JWNYQTWAHUFUPB-CPUCHLNUSA-N 2 1 362.499 1.134 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)nc2)C[C@H]1C ZINC001092689273 956194648 /nfs/dbraw/zinc/19/46/48/956194648.db2.gz HGRUONFYPLNYJC-LZQZEXGQSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)nc2)C[C@H]1C ZINC001092689273 956194653 /nfs/dbraw/zinc/19/46/53/956194653.db2.gz HGRUONFYPLNYJC-LZQZEXGQSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnc(C)nc2)C[C@H]1C ZINC001092689273 956194663 /nfs/dbraw/zinc/19/46/63/956194663.db2.gz HGRUONFYPLNYJC-LZQZEXGQSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnc(C)nc2)C[C@H]1C ZINC001092689273 956194673 /nfs/dbraw/zinc/19/46/73/956194673.db2.gz HGRUONFYPLNYJC-LZQZEXGQSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cncc(C)c2)C[C@H]1C ZINC001092689303 956194759 /nfs/dbraw/zinc/19/47/59/956194759.db2.gz HZDPNGPYPSUBPP-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cncc(C)c2)C[C@H]1C ZINC001092689303 956194761 /nfs/dbraw/zinc/19/47/61/956194761.db2.gz HZDPNGPYPSUBPP-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cncc(C)c2)C[C@H]1C ZINC001092689303 956194763 /nfs/dbraw/zinc/19/47/63/956194763.db2.gz HZDPNGPYPSUBPP-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cncc(C)c2)C[C@H]1C ZINC001092689303 956194764 /nfs/dbraw/zinc/19/47/64/956194764.db2.gz HZDPNGPYPSUBPP-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C(C)C)C[C@H]1O ZINC001093465564 958204000 /nfs/dbraw/zinc/20/40/00/958204000.db2.gz KNJUOYMJXUCBLY-VGUOSERISA-N 2 1 361.530 1.318 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC(F)F)CC1 ZINC001110147228 958336804 /nfs/dbraw/zinc/33/68/04/958336804.db2.gz QHWXZJUCRARGMM-IKGGRYGDSA-N 2 1 369.456 1.335 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nc2)[C@H](C)C1 ZINC001093832816 958926133 /nfs/dbraw/zinc/92/61/33/958926133.db2.gz AZEZSKFULPHBNV-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nc2)[C@H](C)C1 ZINC001093832816 958926135 /nfs/dbraw/zinc/92/61/35/958926135.db2.gz AZEZSKFULPHBNV-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001093833137 958928853 /nfs/dbraw/zinc/92/88/53/958928853.db2.gz UGMJHFNTHOBUBY-SUMDDJOVSA-N 2 1 370.497 1.834 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2coc(C3CC3)n2)[C@H](C)C1 ZINC001093833137 958928858 /nfs/dbraw/zinc/92/88/58/958928858.db2.gz UGMJHFNTHOBUBY-SUMDDJOVSA-N 2 1 370.497 1.834 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094220885 960045070 /nfs/dbraw/zinc/04/50/70/960045070.db2.gz BJXLBGRWDLJEDH-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C#C[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000775789835 972479976 /nfs/dbraw/zinc/47/99/76/972479976.db2.gz FFDNMGQNGPGQMK-RSPOEFSDSA-N 2 1 355.482 1.536 20 30 FDEDMP C#C[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCO1 ZINC000775789835 972479979 /nfs/dbraw/zinc/47/99/79/972479979.db2.gz FFDNMGQNGPGQMK-RSPOEFSDSA-N 2 1 355.482 1.536 20 30 FDEDMP CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(CCC[NH3+])CC2)C[C@H]1C#N ZINC001172982510 961867149 /nfs/dbraw/zinc/86/71/49/961867149.db2.gz DBIHXCWGHCMJSZ-HOTGVXAUSA-N 2 1 351.495 1.244 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC001188673203 966518801 /nfs/dbraw/zinc/51/88/01/966518801.db2.gz DWWBKQMAQZCAPX-RBUKOAKNSA-N 2 1 361.530 1.681 20 30 FDEDMP COc1ccc(C[N@@H+]2CCCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1 ZINC000852883549 967688140 /nfs/dbraw/zinc/68/81/40/967688140.db2.gz YXUBNTWEILLZIL-UHFFFAOYSA-N 2 1 355.482 1.733 20 30 FDEDMP COc1ccc(C[N@H+]2CCCN(C(=O)C#CC3CC[NH2+]CC3)CC2)cc1 ZINC000852883549 967688150 /nfs/dbraw/zinc/68/81/50/967688150.db2.gz YXUBNTWEILLZIL-UHFFFAOYSA-N 2 1 355.482 1.733 20 30 FDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000863551831 973008822 /nfs/dbraw/zinc/00/88/22/973008822.db2.gz ROGJXMSUJBODMK-GOSISDBHSA-N 2 1 363.421 1.977 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1 ZINC000884152658 982931189 /nfs/dbraw/zinc/93/11/89/982931189.db2.gz QTMCOGZCAWKWOI-CEXWTWQISA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1 ZINC000884152658 982931199 /nfs/dbraw/zinc/93/11/99/982931199.db2.gz QTMCOGZCAWKWOI-CEXWTWQISA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CCCOCC)C[C@H]2C)C1 ZINC000884152658 982931204 /nfs/dbraw/zinc/93/12/04/982931204.db2.gz QTMCOGZCAWKWOI-CEXWTWQISA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CCCOCC)C[C@H]2C)C1 ZINC000884152658 982931206 /nfs/dbraw/zinc/93/12/06/982931206.db2.gz QTMCOGZCAWKWOI-CEXWTWQISA-N 2 1 364.534 1.520 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884193758 982969453 /nfs/dbraw/zinc/96/94/53/982969453.db2.gz OOHCALRKBMEOIS-KYBDOYODSA-N 2 1 352.482 1.907 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)C2 ZINC000884203944 982979346 /nfs/dbraw/zinc/97/93/46/982979346.db2.gz JTYWVJWLQGWHRP-GGUNXXMASA-N 2 1 366.509 1.807 20 30 FDEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000884308314 983072397 /nfs/dbraw/zinc/07/23/97/983072397.db2.gz LRQSVVBYNBTSOW-WOJBJXKFSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000884308314 983072402 /nfs/dbraw/zinc/07/24/02/983072402.db2.gz LRQSVVBYNBTSOW-WOJBJXKFSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000884308314 983072409 /nfs/dbraw/zinc/07/24/09/983072409.db2.gz LRQSVVBYNBTSOW-WOJBJXKFSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000884308314 983072415 /nfs/dbraw/zinc/07/24/15/983072415.db2.gz LRQSVVBYNBTSOW-WOJBJXKFSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000884308314 983072423 /nfs/dbraw/zinc/07/24/23/983072423.db2.gz LRQSVVBYNBTSOW-WOJBJXKFSA-N 2 1 354.498 1.905 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884448920 983161404 /nfs/dbraw/zinc/16/14/04/983161404.db2.gz PXYALNBZFKEIQS-GUFYVYCGSA-N 2 1 352.482 1.764 20 30 FDEDMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1 ZINC000884465912 983171443 /nfs/dbraw/zinc/17/14/43/983171443.db2.gz MSCDJKMVNZQOQQ-XTBIFASLSA-N 2 1 352.482 1.825 20 30 FDEDMP C[NH+]1CCC[C@H]2CN(CC#CCN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000367461899 988952000 /nfs/dbraw/zinc/95/20/00/988952000.db2.gz BZTQTTLLQQQMNP-ZDNVTZCJSA-N 2 1 358.574 1.822 20 30 FDEDMP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000367461899 988952003 /nfs/dbraw/zinc/95/20/03/988952003.db2.gz BZTQTTLLQQQMNP-ZDNVTZCJSA-N 2 1 358.574 1.822 20 30 FDEDMP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000367461899 988952006 /nfs/dbraw/zinc/95/20/06/988952006.db2.gz BZTQTTLLQQQMNP-ZDNVTZCJSA-N 2 1 358.574 1.822 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)C[N@@H+]2CCn3ccnc3C2)CC1 ZINC000368302121 988987819 /nfs/dbraw/zinc/98/78/19/988987819.db2.gz RBIYSZMUWFOPPN-UHFFFAOYSA-N 2 1 359.518 1.882 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)C[N@H+]2CCn3ccnc3C2)CC1 ZINC000368302121 988987823 /nfs/dbraw/zinc/98/78/23/988987823.db2.gz RBIYSZMUWFOPPN-UHFFFAOYSA-N 2 1 359.518 1.882 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000369758262 989150049 /nfs/dbraw/zinc/15/00/49/989150049.db2.gz VRSJSFYNRHFUEM-NRFANRHFSA-N 2 1 369.509 1.881 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000369758262 989150054 /nfs/dbraw/zinc/15/00/54/989150054.db2.gz VRSJSFYNRHFUEM-NRFANRHFSA-N 2 1 369.509 1.881 20 30 FDEDMP N#Cc1cccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000363661077 989374858 /nfs/dbraw/zinc/37/48/58/989374858.db2.gz PDUNCTUCWPXQOW-UHFFFAOYSA-N 2 1 356.470 1.219 20 30 FDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000875712175 991929562 /nfs/dbraw/zinc/92/95/62/991929562.db2.gz CFJIJDHCMMHHLU-KXBFYZLASA-N 2 1 357.502 1.597 20 30 FDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000875712175 991929567 /nfs/dbraw/zinc/92/95/67/991929567.db2.gz CFJIJDHCMMHHLU-KXBFYZLASA-N 2 1 357.502 1.597 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000876755568 992877639 /nfs/dbraw/zinc/87/76/39/992877639.db2.gz VGXIQHIBJZIQCH-LJQANCHMSA-N 2 1 368.481 1.506 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000876778091 992903720 /nfs/dbraw/zinc/90/37/20/992903720.db2.gz WJKFKEUVPBMQAP-MRXNPFEDSA-N 2 1 364.877 1.412 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000876779762 992904958 /nfs/dbraw/zinc/90/49/58/992904958.db2.gz MHXDIVHJEHDVEB-UONOGXRCSA-N 2 1 356.923 1.623 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374786240 992942111 /nfs/dbraw/zinc/94/21/11/992942111.db2.gz ZBEUSZWQVZIVHM-OAHLLOKOSA-N 2 1 359.474 1.630 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000264119780 997405232 /nfs/dbraw/zinc/40/52/32/997405232.db2.gz QQHYOYCPUXJKPR-LJQANCHMSA-N 3 1 359.518 1.450 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000270817667 999619279 /nfs/dbraw/zinc/61/92/79/999619279.db2.gz HXSPHMKGNIGRAX-NHCUHLMSSA-N 2 1 369.509 1.331 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001111198110 1006817431 /nfs/dbraw/zinc/81/74/31/1006817431.db2.gz JIADVNDLSFLAQF-NXHRZFHOSA-N 2 1 351.491 1.021 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779369078 1008893423 /nfs/dbraw/zinc/89/34/23/1008893423.db2.gz HURCPWHPERPILH-PZJWPPBQSA-N 2 1 355.482 1.179 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779369078 1008893440 /nfs/dbraw/zinc/89/34/40/1008893440.db2.gz HURCPWHPERPILH-PZJWPPBQSA-N 2 1 355.482 1.179 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779369078 1008893449 /nfs/dbraw/zinc/89/34/49/1008893449.db2.gz HURCPWHPERPILH-PZJWPPBQSA-N 2 1 355.482 1.179 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779369078 1008893473 /nfs/dbraw/zinc/89/34/73/1008893473.db2.gz HURCPWHPERPILH-PZJWPPBQSA-N 2 1 355.482 1.179 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000303875508 1009645768 /nfs/dbraw/zinc/64/57/68/1009645768.db2.gz DLPBTBXDZJPKDI-VQTJNVASSA-N 2 1 373.545 1.757 20 30 FDEDMP C[N@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000245792350 178381936 /nfs/dbraw/zinc/38/19/36/178381936.db2.gz CIZSCSFKODJOAP-VQTJNVASSA-N 2 1 372.513 1.400 20 30 FDEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000245792350 178381937 /nfs/dbraw/zinc/38/19/37/178381937.db2.gz CIZSCSFKODJOAP-VQTJNVASSA-N 2 1 372.513 1.400 20 30 FDEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000245792350 178381939 /nfs/dbraw/zinc/38/19/39/178381939.db2.gz CIZSCSFKODJOAP-VQTJNVASSA-N 2 1 372.513 1.400 20 30 FDEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000548786924 542778794 /nfs/dbraw/zinc/77/87/94/542778794.db2.gz GMCYIDCUORPLDL-RBUKOAKNSA-N 2 1 353.470 1.917 20 30 FDEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000548786924 542778799 /nfs/dbraw/zinc/77/87/99/542778799.db2.gz GMCYIDCUORPLDL-RBUKOAKNSA-N 2 1 353.470 1.917 20 30 FDEDMP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000548786925 542778867 /nfs/dbraw/zinc/77/88/67/542778867.db2.gz GMCYIDCUORPLDL-RTBURBONSA-N 2 1 353.470 1.917 20 30 FDEDMP N#CCC[C@H](C#N)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000548786925 542778869 /nfs/dbraw/zinc/77/88/69/542778869.db2.gz GMCYIDCUORPLDL-RTBURBONSA-N 2 1 353.470 1.917 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000553710939 543685472 /nfs/dbraw/zinc/68/54/72/543685472.db2.gz FSBRHPKEJBKDKE-SFHVURJKSA-N 2 1 362.518 1.276 20 30 FDEDMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000331379032 259190788 /nfs/dbraw/zinc/19/07/88/259190788.db2.gz FRDXQRRDIPJRNH-FXAWDEMLSA-N 2 1 369.513 1.845 20 30 FDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083032515 524235122 /nfs/dbraw/zinc/23/51/22/524235122.db2.gz OWWJHZHKFKCFTP-SJLPKXTDSA-N 2 1 359.518 1.688 20 30 FDEDMP COc1ccc(CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1OC ZINC000104181026 525398505 /nfs/dbraw/zinc/39/85/05/525398505.db2.gz LWNVYCAIESWINU-UHFFFAOYSA-N 2 1 364.490 1.263 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000188565418 536902693 /nfs/dbraw/zinc/90/26/93/536902693.db2.gz AQUGMLTWWDCZDF-INIZCTEOSA-N 2 1 352.523 1.514 20 30 FDEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291273 537391661 /nfs/dbraw/zinc/39/16/61/537391661.db2.gz YFVVYEJDOLDPKQ-IBGZPJMESA-N 2 1 359.518 1.135 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291273 537391666 /nfs/dbraw/zinc/39/16/66/537391666.db2.gz YFVVYEJDOLDPKQ-IBGZPJMESA-N 3 1 359.518 1.135 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291273 537391671 /nfs/dbraw/zinc/39/16/71/537391671.db2.gz YFVVYEJDOLDPKQ-IBGZPJMESA-N 3 1 359.518 1.135 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274850733 537533069 /nfs/dbraw/zinc/53/30/69/537533069.db2.gz QWCOQUAIVAKXKM-SOLBZPMBSA-N 2 1 358.486 1.887 20 30 FDEDMP C#CCOc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000289932146 537630159 /nfs/dbraw/zinc/63/01/59/537630159.db2.gz WLOTXXNLNYLAHB-UHFFFAOYSA-N 2 1 355.482 1.685 20 30 FDEDMP C=CCN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372462983 537956783 /nfs/dbraw/zinc/95/67/83/537956783.db2.gz JOQPAQZXXZNUQB-QGZVFWFLSA-N 2 1 365.481 1.958 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000570870251 549441840 /nfs/dbraw/zinc/44/18/40/549441840.db2.gz JLJIZLQWWJTMAM-UHFFFAOYSA-N 2 1 364.534 1.524 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000578215292 550740258 /nfs/dbraw/zinc/74/02/58/550740258.db2.gz VAZPQYAQGNVBPT-KRWDZBQOSA-N 2 1 364.534 1.380 20 30 FDEDMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439531 552310530 /nfs/dbraw/zinc/31/05/30/552310530.db2.gz RMSMACSKHDOVCS-FQEVSTJZSA-N 2 1 371.529 1.852 20 30 FDEDMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439175 552310703 /nfs/dbraw/zinc/31/07/03/552310703.db2.gz SYGWXBBDHGYTLC-IRXDYDNUSA-N 2 1 358.490 1.120 20 30 FDEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000598699252 552926388 /nfs/dbraw/zinc/92/63/88/552926388.db2.gz DOFHJUJUTPASKP-SFHVURJKSA-N 2 1 358.486 1.465 20 30 FDEDMP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N ZINC000600708249 553305112 /nfs/dbraw/zinc/30/51/12/553305112.db2.gz DTHHDYNYLHXSSK-OALUTQOASA-N 2 1 353.470 1.587 20 30 FDEDMP Cc1ccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N ZINC000600708249 553305113 /nfs/dbraw/zinc/30/51/13/553305113.db2.gz DTHHDYNYLHXSSK-OALUTQOASA-N 2 1 353.470 1.587 20 30 FDEDMP CC[NH+]1CCC(NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000330262535 567957418 /nfs/dbraw/zinc/95/74/18/567957418.db2.gz VDXUWBLDTRQZMI-NRFANRHFSA-N 2 1 374.529 1.954 20 30 FDEDMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000330274132 568077479 /nfs/dbraw/zinc/07/74/79/568077479.db2.gz JPMXHXRCJAEYIT-WIYYLYMNSA-N 2 1 372.513 1.706 20 30 FDEDMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330274132 568077480 /nfs/dbraw/zinc/07/74/80/568077480.db2.gz JPMXHXRCJAEYIT-WIYYLYMNSA-N 2 1 372.513 1.706 20 30 FDEDMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330274132 568077481 /nfs/dbraw/zinc/07/74/81/568077481.db2.gz JPMXHXRCJAEYIT-WIYYLYMNSA-N 2 1 372.513 1.706 20 30 FDEDMP CN(C(=O)COc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365229403 568337437 /nfs/dbraw/zinc/33/74/37/568337437.db2.gz SOVMILUIPYUHMG-GOSISDBHSA-N 2 1 356.470 1.564 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(Cl)cc2c1OCC2 ZINC000273487964 674542232 /nfs/dbraw/zinc/54/22/32/674542232.db2.gz MRSBALGCCHFYMH-UHFFFAOYSA-N 2 1 352.866 1.402 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000156163402 671951733 /nfs/dbraw/zinc/95/17/33/671951733.db2.gz VWILQBHZWHMNIZ-WMZOPIPTSA-N 2 1 352.523 1.564 20 30 FDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261838078 672680828 /nfs/dbraw/zinc/68/08/28/672680828.db2.gz WAJCQZJPLVAGOL-CQSZACIVSA-N 2 1 362.503 1.125 20 30 FDEDMP COc1ccc(O[C@@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000267462491 673306772 /nfs/dbraw/zinc/30/67/72/673306772.db2.gz VQQPFTSPXYSUAJ-HNNXBMFYSA-N 2 1 350.463 1.089 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccsc1Br ZINC000282508129 675631453 /nfs/dbraw/zinc/63/14/53/675631453.db2.gz FLJGZIHXQINIIA-UHFFFAOYSA-N 2 1 361.309 1.637 20 30 FDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303889633 676543793 /nfs/dbraw/zinc/54/37/93/676543793.db2.gz PPYAASXOQNSRHJ-CALCHBBNSA-N 2 1 353.555 1.370 20 30 FDEDMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303889633 676543794 /nfs/dbraw/zinc/54/37/94/676543794.db2.gz PPYAASXOQNSRHJ-CALCHBBNSA-N 3 1 353.555 1.370 20 30 FDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303889633 676543795 /nfs/dbraw/zinc/54/37/95/676543795.db2.gz PPYAASXOQNSRHJ-CALCHBBNSA-N 3 1 353.555 1.370 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cn1 ZINC000305093997 676544787 /nfs/dbraw/zinc/54/47/87/676544787.db2.gz QYVIUUBAHNXMII-ZDUSSCGKSA-N 2 1 359.396 1.868 20 30 FDEDMP C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CC[NH+](C)CC1 ZINC000328984965 676614965 /nfs/dbraw/zinc/61/49/65/676614965.db2.gz ZJUMZUKYPNCOID-KBAYOESNSA-N 2 1 352.523 1.347 20 30 FDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001104289697 773632134 /nfs/dbraw/zinc/63/21/34/773632134.db2.gz PGPOYLKQEPQLPU-QWFCFKBJSA-N 2 1 361.530 1.727 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104290472 773813644 /nfs/dbraw/zinc/81/36/44/773813644.db2.gz ABKGDXFINUSKDE-KZNAEPCWSA-N 2 1 358.486 1.485 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC2CC2)C1 ZINC001104306168 774435830 /nfs/dbraw/zinc/43/58/30/774435830.db2.gz ONXSTZBWXYKPEZ-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC2CC2)C1 ZINC001104306168 774435836 /nfs/dbraw/zinc/43/58/36/774435836.db2.gz ONXSTZBWXYKPEZ-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC(C)C)C1 ZINC001104306086 774439500 /nfs/dbraw/zinc/43/95/00/774439500.db2.gz JWXLSDBXEGFVCL-AQNXPRMDSA-N 2 1 363.546 1.973 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCOC(C)C)C1 ZINC001104306086 774439504 /nfs/dbraw/zinc/43/95/04/774439504.db2.gz JWXLSDBXEGFVCL-AQNXPRMDSA-N 2 1 363.546 1.973 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656311085 774898049 /nfs/dbraw/zinc/89/80/49/774898049.db2.gz IWBOLPZLOSNLBR-ROUUACIJSA-N 2 1 362.518 1.276 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC000971782493 779073604 /nfs/dbraw/zinc/07/36/04/779073604.db2.gz WXEZTHCDBGBGIJ-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC000971782493 779073610 /nfs/dbraw/zinc/07/36/10/779073610.db2.gz WXEZTHCDBGBGIJ-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC000971782493 779073622 /nfs/dbraw/zinc/07/36/22/779073622.db2.gz WXEZTHCDBGBGIJ-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC000971782493 779073629 /nfs/dbraw/zinc/07/36/29/779073629.db2.gz WXEZTHCDBGBGIJ-AYOQOUSVSA-N 2 1 356.470 1.310 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001075454065 783475700 /nfs/dbraw/zinc/47/57/00/783475700.db2.gz KLEOQPVPPGWJTH-QWFCFKBJSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001075454065 783475709 /nfs/dbraw/zinc/47/57/09/783475709.db2.gz KLEOQPVPPGWJTH-QWFCFKBJSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC1 ZINC001075454065 783475715 /nfs/dbraw/zinc/47/57/15/783475715.db2.gz KLEOQPVPPGWJTH-QWFCFKBJSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC1 ZINC001075454065 783475722 /nfs/dbraw/zinc/47/57/22/783475722.db2.gz KLEOQPVPPGWJTH-QWFCFKBJSA-N 2 1 361.530 1.679 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000376053086 785692816 /nfs/dbraw/zinc/69/28/16/785692816.db2.gz CTKCGCZPMOYPTE-KZNAEPCWSA-N 2 1 361.490 1.121 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000376053086 785692821 /nfs/dbraw/zinc/69/28/21/785692821.db2.gz CTKCGCZPMOYPTE-KZNAEPCWSA-N 2 1 361.490 1.121 20 30 FDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530081 806540514 /nfs/dbraw/zinc/54/05/14/806540514.db2.gz CDXGLJMKOVLOBR-LQWHRVPQSA-N 2 1 354.498 1.996 20 30 FDEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000424139962 815316595 /nfs/dbraw/zinc/31/65/95/815316595.db2.gz ATKYGPYXGLKSAB-DOTOQJQBSA-N 2 1 357.458 1.344 20 30 FDEDMP C[NH+]=C(NCc1cn2ccccc2n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261763309 811315151 /nfs/dbraw/zinc/31/51/51/811315151.db2.gz OMROQUJJHJDSQK-MRXNPFEDSA-N 2 1 356.474 1.064 20 30 FDEDMP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000261933647 811346769 /nfs/dbraw/zinc/34/67/69/811346769.db2.gz BWQRJCPALRZAFT-SJLPKXTDSA-N 2 1 371.533 1.704 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262017945 811368005 /nfs/dbraw/zinc/36/80/05/811368005.db2.gz YEZWCLLSJLOPGT-RHSMWYFYSA-N 2 1 353.474 1.415 20 30 FDEDMP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261823623 813663023 /nfs/dbraw/zinc/66/30/23/813663023.db2.gz USGKNIJBQSCKON-OAHLLOKOSA-N 2 1 363.506 1.702 20 30 FDEDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030671 814258692 /nfs/dbraw/zinc/25/86/92/814258692.db2.gz ROSTWVFPHCZCOI-PXNSSMCTSA-N 2 1 369.513 1.845 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC000983704040 818618308 /nfs/dbraw/zinc/61/83/08/818618308.db2.gz HFLRBLKNSHVXQB-DLVXIWMQSA-N 2 1 370.497 1.914 20 30 FDEDMP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075800399 820498829 /nfs/dbraw/zinc/49/88/29/820498829.db2.gz WOXPHXUNGMIYKC-FDFHNCONSA-N 2 1 363.505 1.913 20 30 FDEDMP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075800399 820498831 /nfs/dbraw/zinc/49/88/31/820498831.db2.gz WOXPHXUNGMIYKC-FDFHNCONSA-N 2 1 363.505 1.913 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOC3CCC3)[C@@H]2CC)CC1 ZINC001087840087 822558786 /nfs/dbraw/zinc/55/87/86/822558786.db2.gz HAGLBFJJWQBXRT-VQTJNVASSA-N 2 1 361.530 1.870 20 30 FDEDMP C[N@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)[C@H]2C1 ZINC000895594310 822667367 /nfs/dbraw/zinc/66/73/67/822667367.db2.gz NXCDMAGUKAEMJV-QUCCMNQESA-N 2 1 367.497 1.868 20 30 FDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329263824 824702487 /nfs/dbraw/zinc/70/24/87/824702487.db2.gz DNVVELVXMKJURZ-FDPIWHGQSA-N 2 1 364.534 1.741 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]2C1 ZINC001088107301 826422398 /nfs/dbraw/zinc/42/23/98/826422398.db2.gz QSGMLJNLJXZLMC-SJORKVTESA-N 2 1 356.470 1.688 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]2C1 ZINC001088107301 826422400 /nfs/dbraw/zinc/42/24/00/826422400.db2.gz QSGMLJNLJXZLMC-SJORKVTESA-N 2 1 356.470 1.688 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088135984 826600178 /nfs/dbraw/zinc/60/01/78/826600178.db2.gz OZDUFJFXXJOMGI-WBVHZDCISA-N 2 1 365.909 1.591 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088135984 826600181 /nfs/dbraw/zinc/60/01/81/826600181.db2.gz OZDUFJFXXJOMGI-WBVHZDCISA-N 2 1 365.909 1.591 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC001112179180 827174733 /nfs/dbraw/zinc/17/47/33/827174733.db2.gz ZRZMLOXQYMOENU-HUUCEWRRSA-N 2 1 356.392 1.974 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001029767633 828031631 /nfs/dbraw/zinc/03/16/31/828031631.db2.gz WKMONUMNDACSQB-FUHIMQAGSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3ccccc3C#N)C2)O1 ZINC001029767633 828031641 /nfs/dbraw/zinc/03/16/41/828031641.db2.gz WKMONUMNDACSQB-FUHIMQAGSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001029767633 828031665 /nfs/dbraw/zinc/03/16/65/828031665.db2.gz WKMONUMNDACSQB-FUHIMQAGSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001029767633 828031681 /nfs/dbraw/zinc/03/16/81/828031681.db2.gz WKMONUMNDACSQB-FUHIMQAGSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528431893 829400961 /nfs/dbraw/zinc/40/09/61/829400961.db2.gz NTHBTUZXIGEBFX-YZGWKJHDSA-N 2 1 372.513 1.256 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528431893 829400963 /nfs/dbraw/zinc/40/09/63/829400963.db2.gz NTHBTUZXIGEBFX-YZGWKJHDSA-N 2 1 372.513 1.256 20 30 FDEDMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000262685451 830159080 /nfs/dbraw/zinc/15/90/80/830159080.db2.gz AGGWRMKMDYCKBB-SFHVURJKSA-N 2 1 371.533 1.710 20 30 FDEDMP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001105429210 831851919 /nfs/dbraw/zinc/85/19/19/831851919.db2.gz QXQYPFQUAWGLER-RQGSJKACSA-N 2 1 369.509 1.535 20 30 FDEDMP CC#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001105429210 831851920 /nfs/dbraw/zinc/85/19/20/831851920.db2.gz QXQYPFQUAWGLER-RQGSJKACSA-N 2 1 369.509 1.535 20 30 FDEDMP N#Cc1cc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)ccc1F ZINC001076467950 848195088 /nfs/dbraw/zinc/19/50/88/848195088.db2.gz WLVOJFGHWJEIBB-QFBILLFUSA-N 2 1 368.456 1.826 20 30 FDEDMP N#Cc1cc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)ccc1F ZINC001076467950 848195092 /nfs/dbraw/zinc/19/50/92/848195092.db2.gz WLVOJFGHWJEIBB-QFBILLFUSA-N 2 1 368.456 1.826 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001076569472 848467237 /nfs/dbraw/zinc/46/72/37/848467237.db2.gz YEYOXVDAHXDJCU-NLWGTHIKSA-N 2 1 355.457 1.662 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001076569472 848467245 /nfs/dbraw/zinc/46/72/45/848467245.db2.gz YEYOXVDAHXDJCU-NLWGTHIKSA-N 2 1 355.457 1.662 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001076569472 848467254 /nfs/dbraw/zinc/46/72/54/848467254.db2.gz YEYOXVDAHXDJCU-NLWGTHIKSA-N 2 1 355.457 1.662 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001076569472 848467259 /nfs/dbraw/zinc/46/72/59/848467259.db2.gz YEYOXVDAHXDJCU-NLWGTHIKSA-N 2 1 355.457 1.662 20 30 FDEDMP CCCCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911338954 858530070 /nfs/dbraw/zinc/53/00/70/858530070.db2.gz SMUYMJCEOQFLQE-HDICACEKSA-N 2 1 364.534 1.500 20 30 FDEDMP CCCCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911338954 858530074 /nfs/dbraw/zinc/53/00/74/858530074.db2.gz SMUYMJCEOQFLQE-HDICACEKSA-N 2 1 364.534 1.500 20 30 FDEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NCc1nc(C2CC2)no1 ZINC000912506513 859831437 /nfs/dbraw/zinc/83/14/37/859831437.db2.gz ODINGFQJTFOSPZ-UHFFFAOYSA-N 2 1 364.494 1.503 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]([C@@H](C)CC)CC1 ZINC000669032784 860836164 /nfs/dbraw/zinc/83/61/64/860836164.db2.gz VWUGSTIUKIVUSG-KSZLIROESA-N 2 1 374.533 1.920 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037308 866204875 /nfs/dbraw/zinc/20/48/75/866204875.db2.gz ACBPUNMUKHXKOD-HFTRVMKXSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037308 866204896 /nfs/dbraw/zinc/20/48/96/866204896.db2.gz ACBPUNMUKHXKOD-HFTRVMKXSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089037308 866204914 /nfs/dbraw/zinc/20/49/14/866204914.db2.gz ACBPUNMUKHXKOD-HFTRVMKXSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089037308 866204932 /nfs/dbraw/zinc/20/49/32/866204932.db2.gz ACBPUNMUKHXKOD-HFTRVMKXSA-N 2 1 356.470 1.598 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCc3cnn(CC)c3)[C@@H]2C)CC1 ZINC001089059396 866384235 /nfs/dbraw/zinc/38/42/35/866384235.db2.gz KLPBCQJMORKSJS-XLIONFOSSA-N 2 1 371.529 1.370 20 30 FDEDMP C[N@@H+](CCN1CC[NH+](C)CC1)Cc1ccc(Br)c(C#N)c1 ZINC001232898133 866694567 /nfs/dbraw/zinc/69/45/67/866694567.db2.gz ACNQTFFJCSPAKP-UHFFFAOYSA-N 2 1 351.292 2.000 20 30 FDEDMP C#CCN(C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000913976930 870188976 /nfs/dbraw/zinc/18/89/76/870188976.db2.gz BESXNTFBAXEWLD-IRXDYDNUSA-N 2 1 364.534 1.613 20 30 FDEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148181 871381422 /nfs/dbraw/zinc/38/14/22/871381422.db2.gz GKTDUOICRHTIJD-NMFUWQPSSA-N 2 1 358.324 1.919 20 30 FDEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106149247 871389476 /nfs/dbraw/zinc/38/94/76/871389476.db2.gz ATOBXZOMOGZFEU-KZNAEPCWSA-N 2 1 360.502 1.731 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C[C@H]1C ZINC001106343213 874852550 /nfs/dbraw/zinc/85/25/50/874852550.db2.gz UWSJPNYARBQSCZ-HYVNUMGLSA-N 2 1 358.486 1.157 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672283 876513423 /nfs/dbraw/zinc/51/34/23/876513423.db2.gz NYGLCKSTLGFFDH-BRWVUGGUSA-N 2 1 366.550 1.339 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001034272647 884064509 /nfs/dbraw/zinc/06/45/09/884064509.db2.gz NYTDMQITFJOTLT-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001034272647 884064526 /nfs/dbraw/zinc/06/45/26/884064526.db2.gz NYTDMQITFJOTLT-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001034272647 884064541 /nfs/dbraw/zinc/06/45/41/884064541.db2.gz NYTDMQITFJOTLT-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001034272647 884064558 /nfs/dbraw/zinc/06/45/58/884064558.db2.gz NYTDMQITFJOTLT-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129220274 886596844 /nfs/dbraw/zinc/59/68/44/886596844.db2.gz UJEGKGKRDBVSJX-NXHRZFHOSA-N 2 1 360.506 1.316 20 30 FDEDMP C#CCN(C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000921320674 887639841 /nfs/dbraw/zinc/63/98/41/887639841.db2.gz PXZRYQIJAZDGBX-UHFFFAOYSA-N 2 1 360.477 1.997 20 30 FDEDMP C[NH+](C)C1(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000923013909 887774112 /nfs/dbraw/zinc/77/41/12/887774112.db2.gz SITWYDPTQPINNR-UHFFFAOYSA-N 2 1 355.486 1.870 20 30 FDEDMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000923090745 888001758 /nfs/dbraw/zinc/00/17/58/888001758.db2.gz DWPRIAPSMBNYDI-DNVCBOLYSA-N 2 1 355.486 1.914 20 30 FDEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000923328715 888887486 /nfs/dbraw/zinc/88/74/86/888887486.db2.gz NECJVIIUEIXLIQ-NZSAHSFTSA-N 2 1 356.470 1.172 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000265717424 913401677 /nfs/dbraw/zinc/40/16/77/913401677.db2.gz JWYYWTCGTPVGBW-UHFFFAOYSA-N 2 1 368.525 1.612 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981509 897449115 /nfs/dbraw/zinc/44/91/15/897449115.db2.gz RIZKQGZEVCNONX-KZNAEPCWSA-N 2 1 364.534 1.047 20 30 FDEDMP C#CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000995268237 897656645 /nfs/dbraw/zinc/65/66/45/897656645.db2.gz RYZPQXNBMLNPEX-YZGWKJHDSA-N 2 1 370.497 1.084 20 30 FDEDMP C#CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000995268237 897656658 /nfs/dbraw/zinc/65/66/58/897656658.db2.gz RYZPQXNBMLNPEX-YZGWKJHDSA-N 2 1 370.497 1.084 20 30 FDEDMP C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000995268237 897656668 /nfs/dbraw/zinc/65/66/68/897656668.db2.gz RYZPQXNBMLNPEX-YZGWKJHDSA-N 2 1 370.497 1.084 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000995268237 897656673 /nfs/dbraw/zinc/65/66/73/897656673.db2.gz RYZPQXNBMLNPEX-YZGWKJHDSA-N 2 1 370.497 1.084 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3C)C[C@H]2O)CC1 ZINC001078226943 898426916 /nfs/dbraw/zinc/42/69/16/898426916.db2.gz AQYYUJJSJHICKG-WOJBJXKFSA-N 2 1 355.482 1.002 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CCOCC3)C[C@H]21 ZINC001084418072 914379558 /nfs/dbraw/zinc/37/95/58/914379558.db2.gz TVBNQNYSJNMGPG-HSALFYBXSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](CCC3CCOCC3)C[C@H]21 ZINC001084418072 914379577 /nfs/dbraw/zinc/37/95/77/914379577.db2.gz TVBNQNYSJNMGPG-HSALFYBXSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](CCC3CCOCC3)C[C@H]21 ZINC001084418072 914379592 /nfs/dbraw/zinc/37/95/92/914379592.db2.gz TVBNQNYSJNMGPG-HSALFYBXSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](CCC3CCOCC3)C[C@H]21 ZINC001084418072 914379597 /nfs/dbraw/zinc/37/95/97/914379597.db2.gz TVBNQNYSJNMGPG-HSALFYBXSA-N 2 1 359.514 1.433 20 30 FDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258248 902292366 /nfs/dbraw/zinc/29/23/66/902292366.db2.gz UUMFDSRRQOYHFH-CADBVGFASA-N 2 1 361.530 1.842 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081676220 904925285 /nfs/dbraw/zinc/92/52/85/904925285.db2.gz ZOPFDCXYFNIHSA-XUVXKRRUSA-N 2 1 368.481 1.215 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001081676220 904925288 /nfs/dbraw/zinc/92/52/88/904925288.db2.gz ZOPFDCXYFNIHSA-XUVXKRRUSA-N 2 1 368.481 1.215 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107568368 905682689 /nfs/dbraw/zinc/68/26/89/905682689.db2.gz ZHDQWGZZHOTQPD-TZIWHRDSSA-N 2 1 361.530 1.729 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066217 905702653 /nfs/dbraw/zinc/70/26/53/905702653.db2.gz GOEBTOBHAPCNND-KCUHQSDYSA-N 2 1 370.497 1.604 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001082066217 905702662 /nfs/dbraw/zinc/70/26/62/905702662.db2.gz GOEBTOBHAPCNND-KCUHQSDYSA-N 2 1 370.497 1.604 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001082066217 905702672 /nfs/dbraw/zinc/70/26/72/905702672.db2.gz GOEBTOBHAPCNND-KCUHQSDYSA-N 2 1 370.497 1.604 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001082066217 905702680 /nfs/dbraw/zinc/70/26/80/905702680.db2.gz GOEBTOBHAPCNND-KCUHQSDYSA-N 2 1 370.497 1.604 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781319 906252040 /nfs/dbraw/zinc/25/20/40/906252040.db2.gz WIMCWTVTLLSHEN-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781319 906252057 /nfs/dbraw/zinc/25/20/57/906252057.db2.gz WIMCWTVTLLSHEN-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080781319 906252075 /nfs/dbraw/zinc/25/20/75/906252075.db2.gz WIMCWTVTLLSHEN-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080781319 906252093 /nfs/dbraw/zinc/25/20/93/906252093.db2.gz WIMCWTVTLLSHEN-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2C)CC1 ZINC001080997604 906970619 /nfs/dbraw/zinc/97/06/19/906970619.db2.gz GPTVWPBWACDBTM-BHIYHBOVSA-N 2 1 361.530 1.583 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2C)CC1 ZINC001080997840 906972409 /nfs/dbraw/zinc/97/24/09/906972409.db2.gz MEZHJHCHDMZYQH-RHSMWYFYSA-N 2 1 353.457 1.813 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001082520835 908223518 /nfs/dbraw/zinc/22/35/18/908223518.db2.gz WHTLUOMCSWPXOB-OHDICMOHSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1C#N ZINC001082861918 910524218 /nfs/dbraw/zinc/52/42/18/910524218.db2.gz SLDQMODMORPPOL-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3ncccn3)C2)CC1 ZINC001082940988 911014990 /nfs/dbraw/zinc/01/49/90/911014990.db2.gz HCHYEHXYBOLFFT-JFIYKMOQSA-N 2 1 355.486 1.319 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2csnn2)CC1 ZINC001085432715 924679923 /nfs/dbraw/zinc/67/99/23/924679923.db2.gz MGYUXQREIYWQBV-IAGOWNOFSA-N 2 1 361.515 1.400 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001109976164 930933285 /nfs/dbraw/zinc/93/32/85/930933285.db2.gz UNOMVFWOWPPQEE-RDGPPVDQSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001109976164 930933287 /nfs/dbraw/zinc/93/32/87/930933287.db2.gz UNOMVFWOWPPQEE-RDGPPVDQSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976164 930933289 /nfs/dbraw/zinc/93/32/89/930933289.db2.gz UNOMVFWOWPPQEE-RDGPPVDQSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001109976164 930933297 /nfs/dbraw/zinc/93/32/97/930933297.db2.gz UNOMVFWOWPPQEE-RDGPPVDQSA-N 2 1 374.529 1.250 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086625261 938511616 /nfs/dbraw/zinc/51/16/16/938511616.db2.gz RASJNWQTOPKUJO-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086625261 938511619 /nfs/dbraw/zinc/51/16/19/938511619.db2.gz RASJNWQTOPKUJO-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001086625261 938511624 /nfs/dbraw/zinc/51/16/24/938511624.db2.gz RASJNWQTOPKUJO-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001086625261 938511625 /nfs/dbraw/zinc/51/16/25/938511625.db2.gz RASJNWQTOPKUJO-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672460 939971595 /nfs/dbraw/zinc/97/15/95/939971595.db2.gz PXCUTNJOPSEAOX-FUHWJXTLSA-N 2 1 361.534 1.858 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)n[nH]2)O1 ZINC001130809033 940185217 /nfs/dbraw/zinc/18/52/17/940185217.db2.gz DDDGHEANPMUFBO-SQWLQELKSA-N 2 1 364.494 1.003 20 30 FDEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)CCC)n2)O1 ZINC001130816409 940218986 /nfs/dbraw/zinc/21/89/86/940218986.db2.gz VRDPULAGEYMETJ-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108062 940502452 /nfs/dbraw/zinc/50/24/52/940502452.db2.gz IBBFUWNNCVUWJL-RCCFBDPRSA-N 2 1 359.518 1.612 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131321425 940551623 /nfs/dbraw/zinc/55/16/23/940551623.db2.gz RYELHIHDRDZWSD-ZACQAIPSSA-N 2 1 364.490 1.009 20 30 FDEDMP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131321425 940551624 /nfs/dbraw/zinc/55/16/24/940551624.db2.gz RYELHIHDRDZWSD-ZACQAIPSSA-N 2 1 364.490 1.009 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131321425 940551626 /nfs/dbraw/zinc/55/16/26/940551626.db2.gz RYELHIHDRDZWSD-ZACQAIPSSA-N 2 1 364.490 1.009 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001086665079 940552439 /nfs/dbraw/zinc/55/24/39/940552439.db2.gz PNBAVVGREAIULG-OTWHNJEPSA-N 2 1 356.470 1.263 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001086665079 940552440 /nfs/dbraw/zinc/55/24/40/940552440.db2.gz PNBAVVGREAIULG-OTWHNJEPSA-N 2 1 356.470 1.263 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001131515279 940679652 /nfs/dbraw/zinc/67/96/52/940679652.db2.gz BFBVGANXGFIALY-ZVDOUQERSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CC)CC1 ZINC001131515276 940679924 /nfs/dbraw/zinc/67/99/24/940679924.db2.gz BCECFWVLHINADC-AABGKKOBSA-N 2 1 357.498 1.093 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CC)CC1 ZINC001131515276 940679930 /nfs/dbraw/zinc/67/99/30/940679930.db2.gz BCECFWVLHINADC-AABGKKOBSA-N 2 1 357.498 1.093 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001086720563 941624557 /nfs/dbraw/zinc/62/45/57/941624557.db2.gz CDUGSFSGROGXEZ-WDYCEAGBSA-N 2 1 358.461 1.693 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC001086720563 941624560 /nfs/dbraw/zinc/62/45/60/941624560.db2.gz CDUGSFSGROGXEZ-WDYCEAGBSA-N 2 1 358.461 1.693 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC001086721343 941646054 /nfs/dbraw/zinc/64/60/54/941646054.db2.gz UDNZZSKMVMTQOV-SCTDSRPQSA-N 2 1 355.486 1.257 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC001086721343 941646056 /nfs/dbraw/zinc/64/60/56/941646056.db2.gz UDNZZSKMVMTQOV-SCTDSRPQSA-N 2 1 355.486 1.257 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccc(OC)cc1 ZINC001090875726 947494738 /nfs/dbraw/zinc/49/47/38/947494738.db2.gz FPPWNYJIMGGRBX-RBUKOAKNSA-N 2 1 352.438 1.418 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001091543524 951981368 /nfs/dbraw/zinc/98/13/68/951981368.db2.gz LZLKQAMFYLYQCG-URVUXULASA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001091543524 951981370 /nfs/dbraw/zinc/98/13/70/951981370.db2.gz LZLKQAMFYLYQCG-URVUXULASA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001091543524 951981371 /nfs/dbraw/zinc/98/13/71/951981371.db2.gz LZLKQAMFYLYQCG-URVUXULASA-N 2 1 351.494 1.913 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970891 952972895 /nfs/dbraw/zinc/97/28/95/952972895.db2.gz LTGXXIQPQVHPEO-ARFHVFGLSA-N 2 1 351.882 1.151 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970891 952972898 /nfs/dbraw/zinc/97/28/98/952972898.db2.gz LTGXXIQPQVHPEO-ARFHVFGLSA-N 2 1 351.882 1.151 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086982286 952994836 /nfs/dbraw/zinc/99/48/36/952994836.db2.gz CDCYUZDCCFCOFL-GVDBMIGSSA-N 2 1 354.458 1.264 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086984719 952999495 /nfs/dbraw/zinc/99/94/95/952999495.db2.gz ZYOVNEOXRPEDBC-ARFHVFGLSA-N 2 1 353.898 1.397 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086984860 952999964 /nfs/dbraw/zinc/99/99/64/952999964.db2.gz HYTXTDMJMANWIJ-BBWFWOEESA-N 2 1 365.909 1.541 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086984860 952999965 /nfs/dbraw/zinc/99/99/65/952999965.db2.gz HYTXTDMJMANWIJ-BBWFWOEESA-N 2 1 365.909 1.541 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1c1cnn(C)c1 ZINC001086987975 953011736 /nfs/dbraw/zinc/01/17/36/953011736.db2.gz XXJSPJHGNNQKKE-FUHWJXTLSA-N 2 1 368.485 1.266 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087101067 953271867 /nfs/dbraw/zinc/27/18/67/953271867.db2.gz RPRDFKFXORQOFN-XUVXKRRUSA-N 2 1 370.497 1.463 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)oc2C)[C@H](C)C1 ZINC001093832927 958927324 /nfs/dbraw/zinc/92/73/24/958927324.db2.gz JBLGTOLWGIDBIB-BJZITVGISA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)oc2C)[C@H](C)C1 ZINC001093832927 958927328 /nfs/dbraw/zinc/92/73/28/958927328.db2.gz JBLGTOLWGIDBIB-BJZITVGISA-N 2 1 358.486 1.573 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000636677841 1013187761 /nfs/dbraw/zinc/18/77/61/1013187761.db2.gz YUMMZWYSXJJZJY-GOSISDBHSA-N 2 1 362.518 1.276 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCOC)CC1 ZINC001110152430 959420554 /nfs/dbraw/zinc/42/05/54/959420554.db2.gz UIHQCBHXBPKOEK-AABGKKOBSA-N 2 1 361.530 1.870 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000775789305 972502842 /nfs/dbraw/zinc/50/28/42/972502842.db2.gz CPFNGVBGZJQPES-LEWJYISDSA-N 2 1 369.509 1.800 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000775789305 972502846 /nfs/dbraw/zinc/50/28/46/972502846.db2.gz CPFNGVBGZJQPES-LEWJYISDSA-N 2 1 369.509 1.800 20 30 FDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532504 960744882 /nfs/dbraw/zinc/74/48/82/960744882.db2.gz YBEXMZRKDYFSBC-UYAOXDASSA-N 2 1 359.518 1.995 20 30 FDEDMP C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001172319321 961620356 /nfs/dbraw/zinc/62/03/56/961620356.db2.gz MPSMKONNDPSIPB-QGZVFWFLSA-N 2 1 354.498 1.975 20 30 FDEDMP C[N@H+]1CCCN(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172976713 961859998 /nfs/dbraw/zinc/85/99/98/961859998.db2.gz SCOSQUZNCWNWDP-SJORKVTESA-N 2 1 365.522 1.505 20 30 FDEDMP C[N@@H+](CCN1CC[NH+](C)CC1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173433677 962154076 /nfs/dbraw/zinc/15/40/76/962154076.db2.gz UQECUJXDTISRQZ-UHFFFAOYSA-N 2 1 369.513 1.342 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187951835 965926885 /nfs/dbraw/zinc/92/68/85/965926885.db2.gz OVHNLIVJZPBVDH-JENIJYKNSA-N 2 1 359.518 1.946 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034330 966709013 /nfs/dbraw/zinc/70/90/13/966709013.db2.gz IBBQXSNIKPCLKE-FUHWJXTLSA-N 2 1 356.470 1.551 20 30 FDEDMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000852823964 967635261 /nfs/dbraw/zinc/63/52/61/967635261.db2.gz NCAGQQMILJKSSG-UHFFFAOYSA-N 2 1 361.408 1.103 20 30 FDEDMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852873591 967681106 /nfs/dbraw/zinc/68/11/06/967681106.db2.gz ZGPYXTCCWXKLIC-UHFFFAOYSA-N 2 1 354.498 1.270 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190363629 967783762 /nfs/dbraw/zinc/78/37/62/967783762.db2.gz UGYRQTJYPQFCPO-ZWKOTPCHSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190363629 967783769 /nfs/dbraw/zinc/78/37/69/967783769.db2.gz UGYRQTJYPQFCPO-ZWKOTPCHSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190363629 967783776 /nfs/dbraw/zinc/78/37/76/967783776.db2.gz UGYRQTJYPQFCPO-ZWKOTPCHSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190363629 967783781 /nfs/dbraw/zinc/78/37/81/967783781.db2.gz UGYRQTJYPQFCPO-ZWKOTPCHSA-N 2 1 364.534 1.284 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000854094096 968587750 /nfs/dbraw/zinc/58/77/50/968587750.db2.gz DMHKANCEUUAKGW-LJQANCHMSA-N 2 1 358.486 1.008 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000854094096 968587753 /nfs/dbraw/zinc/58/77/53/968587753.db2.gz DMHKANCEUUAKGW-LJQANCHMSA-N 2 1 358.486 1.008 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000854094096 968587768 /nfs/dbraw/zinc/58/77/68/968587768.db2.gz DMHKANCEUUAKGW-LJQANCHMSA-N 2 1 358.486 1.008 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193726823 969817734 /nfs/dbraw/zinc/81/77/34/969817734.db2.gz FODJEEFKOYRCJH-GUDVDZBRSA-N 2 1 351.535 1.872 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193726823 969817742 /nfs/dbraw/zinc/81/77/42/969817742.db2.gz FODJEEFKOYRCJH-GUDVDZBRSA-N 2 1 351.535 1.872 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193726823 969817748 /nfs/dbraw/zinc/81/77/48/969817748.db2.gz FODJEEFKOYRCJH-GUDVDZBRSA-N 2 1 351.535 1.872 20 30 FDEDMP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)c1 ZINC001199345521 974172362 /nfs/dbraw/zinc/17/23/62/974172362.db2.gz OJFUUGGOOPWDME-WOJBJXKFSA-N 2 1 370.497 1.486 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)c1 ZINC001199345521 974172369 /nfs/dbraw/zinc/17/23/69/974172369.db2.gz OJFUUGGOOPWDME-WOJBJXKFSA-N 2 1 370.497 1.486 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C(C)C ZINC000849071945 977302583 /nfs/dbraw/zinc/30/25/83/977302583.db2.gz UDBVQHBMOCKEBM-SFHVURJKSA-N 2 1 371.533 1.822 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000884189777 982965635 /nfs/dbraw/zinc/96/56/35/982965635.db2.gz MTXIKHSHNVEOKB-SCCNAQOGSA-N 2 1 352.482 1.690 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000884261606 983036038 /nfs/dbraw/zinc/03/60/38/983036038.db2.gz PJSCKOOYOHUVKK-WOJBJXKFSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000884261606 983036046 /nfs/dbraw/zinc/03/60/46/983036046.db2.gz PJSCKOOYOHUVKK-WOJBJXKFSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000884261606 983036054 /nfs/dbraw/zinc/03/60/54/983036054.db2.gz PJSCKOOYOHUVKK-WOJBJXKFSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000884261606 983036058 /nfs/dbraw/zinc/03/60/58/983036058.db2.gz PJSCKOOYOHUVKK-WOJBJXKFSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000884354739 983110819 /nfs/dbraw/zinc/11/08/19/983110819.db2.gz YMUGSGKGLZCSAI-SFHVURJKSA-N 2 1 373.501 1.309 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000884354739 983110826 /nfs/dbraw/zinc/11/08/26/983110826.db2.gz YMUGSGKGLZCSAI-SFHVURJKSA-N 2 1 373.501 1.309 20 30 FDEDMP C=CCN1CC[C@H](N2CCC[C@H]([N@@H+](C)[C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193241 988940216 /nfs/dbraw/zinc/94/02/16/988940216.db2.gz FURQGWUQHGJCJT-FHWLQOOXSA-N 2 1 374.529 1.347 20 30 FDEDMP C=CCN1CC[C@H](N(C)[C@H]2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193241 988940221 /nfs/dbraw/zinc/94/02/21/988940221.db2.gz FURQGWUQHGJCJT-FHWLQOOXSA-N 2 1 374.529 1.347 20 30 FDEDMP C=CCN1CC[C@H](N(C)[C@H]2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193241 988940223 /nfs/dbraw/zinc/94/02/23/988940223.db2.gz FURQGWUQHGJCJT-FHWLQOOXSA-N 2 1 374.529 1.347 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363393602 989157578 /nfs/dbraw/zinc/15/75/78/989157578.db2.gz SXXRIWZPMHMTKX-SCTDSRPQSA-N 2 1 364.534 1.920 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363393602 989157585 /nfs/dbraw/zinc/15/75/85/989157585.db2.gz SXXRIWZPMHMTKX-SCTDSRPQSA-N 2 1 364.534 1.920 20 30 FDEDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301441 990348439 /nfs/dbraw/zinc/34/84/39/990348439.db2.gz FVFYAEVYCUQTMB-FXAWDEMLSA-N 2 1 369.513 1.845 20 30 FDEDMP C[N@@H+](C[C@H]1CC12CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)C1CC1 ZINC000372840352 991585788 /nfs/dbraw/zinc/58/57/88/991585788.db2.gz KBVXIBCTDRJUOK-QGZVFWFLSA-N 2 1 357.502 1.839 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876772276 992895418 /nfs/dbraw/zinc/89/54/18/992895418.db2.gz KSIPARONRYGTFP-HYVNUMGLSA-N 2 1 351.878 1.862 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876772276 992895426 /nfs/dbraw/zinc/89/54/26/992895426.db2.gz KSIPARONRYGTFP-HYVNUMGLSA-N 2 1 351.878 1.862 20 30 FDEDMP C=CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000878290590 993882425 /nfs/dbraw/zinc/88/24/25/993882425.db2.gz BEHHKEXQEULSFG-GOSISDBHSA-N 2 1 365.518 1.808 20 30 FDEDMP C#CC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C2)C1 ZINC000965211932 1015924548 /nfs/dbraw/zinc/92/45/48/1015924548.db2.gz PYGBVRJOZCYNIA-PGUJWAORSA-N 2 1 351.494 1.982 20 30 FDEDMP C[C@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259427 995762682 /nfs/dbraw/zinc/76/26/82/995762682.db2.gz SNQWKRHDXIUHOF-LPHOPBHVSA-N 2 1 352.438 1.904 20 30 FDEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000887130957 996957995 /nfs/dbraw/zinc/95/79/95/996957995.db2.gz OIBFRRWLJFHLFT-VQIMIIECSA-N 2 1 352.438 1.904 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000264068720 997395460 /nfs/dbraw/zinc/39/54/60/997395460.db2.gz CJZJUNLGJPNGPO-MSOLQXFVSA-N 2 1 373.501 1.693 20 30 FDEDMP C[N@@H+](CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000264095884 997400895 /nfs/dbraw/zinc/40/08/95/997400895.db2.gz MNMNSSBCIUYTBQ-UHFFFAOYSA-N 2 1 359.522 1.568 20 30 FDEDMP C[NH+]=C(NCc1ccco1)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000264107745 997402791 /nfs/dbraw/zinc/40/27/91/997402791.db2.gz ZXTKONDZDJPAKF-UHFFFAOYSA-N 2 1 369.469 1.532 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889658332 998507412 /nfs/dbraw/zinc/50/74/12/998507412.db2.gz CULBNCFLFUGJOG-LJQANCHMSA-N 2 1 369.513 1.335 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889658332 998507417 /nfs/dbraw/zinc/50/74/17/998507417.db2.gz CULBNCFLFUGJOG-LJQANCHMSA-N 2 1 369.513 1.335 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000286747397 999948730 /nfs/dbraw/zinc/94/87/30/999948730.db2.gz SLBUHCMIHNSACM-UHFFFAOYSA-N 2 1 361.490 1.245 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OC[C@H]1CCOC1 ZINC000287012961 999954059 /nfs/dbraw/zinc/95/40/59/999954059.db2.gz FWMCPPLLEXFEIY-RDJZCZTQSA-N 2 1 361.490 1.386 20 30 FDEDMP C#Cc1ccc(NC(=O)CCN2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000930071075 1002784650 /nfs/dbraw/zinc/78/46/50/1002784650.db2.gz BCUKSKLCZHYSBG-LJQANCHMSA-N 2 1 368.481 1.411 20 30 FDEDMP C#Cc1ccc(NC(=O)CCN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000930071075 1002784660 /nfs/dbraw/zinc/78/46/60/1002784660.db2.gz BCUKSKLCZHYSBG-LJQANCHMSA-N 2 1 368.481 1.411 20 30 FDEDMP C[C@@H]1CCC[N@@H+](CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120444 1006010365 /nfs/dbraw/zinc/01/03/65/1006010365.db2.gz KOTSZYCBQDSPAX-CVEARBPZSA-N 2 1 365.522 1.599 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263441 1007336157 /nfs/dbraw/zinc/33/61/57/1007336157.db2.gz QWTHNMAFGZTODP-AQNXPRMDSA-N 2 1 359.514 1.480 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001111263441 1007336167 /nfs/dbraw/zinc/33/61/67/1007336167.db2.gz QWTHNMAFGZTODP-AQNXPRMDSA-N 2 1 359.514 1.480 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867188 1009643196 /nfs/dbraw/zinc/64/31/96/1009643196.db2.gz CTKXAOQDPLVQRI-VQTJNVASSA-N 2 1 373.545 1.757 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC(=O)N1CCc2ccccc21 ZINC000304764666 1010489412 /nfs/dbraw/zinc/48/94/12/1010489412.db2.gz YITVXNZDLINRPZ-KRWDZBQOSA-N 2 1 357.502 1.745 20 30 FDEDMP CC(C)CCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000304765159 1010490066 /nfs/dbraw/zinc/49/00/66/1010490066.db2.gz YXVZXAQGFOOHEI-GOSISDBHSA-N 2 1 359.518 1.834 20 30 FDEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC000192756905 178131930 /nfs/dbraw/zinc/13/19/30/178131930.db2.gz CWMRLBGCIHBGTF-SFHVURJKSA-N 2 1 371.533 1.275 20 30 FDEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000245432183 178356987 /nfs/dbraw/zinc/35/69/87/178356987.db2.gz OLUGFMUUDAVAHM-WOJBJXKFSA-N 2 1 372.513 1.400 20 30 FDEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000245432183 178356989 /nfs/dbraw/zinc/35/69/89/178356989.db2.gz OLUGFMUUDAVAHM-WOJBJXKFSA-N 2 1 372.513 1.400 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000245943116 178391499 /nfs/dbraw/zinc/39/14/99/178391499.db2.gz VTAAJTQXPZYQCT-RBUKOAKNSA-N 2 1 358.486 1.010 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)o1 ZINC000287115673 183215770 /nfs/dbraw/zinc/21/57/70/183215770.db2.gz ZQHSMXMNSFXJJA-CQSZACIVSA-N 2 1 354.476 1.188 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000553329866 543610656 /nfs/dbraw/zinc/61/06/56/543610656.db2.gz RVVMYVFHYFZLKF-LPHOPBHVSA-N 2 1 374.529 1.228 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089896885 524539675 /nfs/dbraw/zinc/53/96/75/524539675.db2.gz IAGODXNYNLOJJV-UXHICEINSA-N 2 1 372.513 1.571 20 30 FDEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000178574050 525447023 /nfs/dbraw/zinc/44/70/23/525447023.db2.gz KAFYOWLIWQFEMD-UHFFFAOYSA-N 2 1 373.379 1.476 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)CC1 ZINC000106349008 525699403 /nfs/dbraw/zinc/69/94/03/525699403.db2.gz PFIVFPUCCYNFBN-UHFFFAOYSA-N 2 1 356.470 1.727 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)CC1 ZINC000106349008 525699409 /nfs/dbraw/zinc/69/94/09/525699409.db2.gz PFIVFPUCCYNFBN-UHFFFAOYSA-N 2 1 356.470 1.727 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000107371608 525880457 /nfs/dbraw/zinc/88/04/57/525880457.db2.gz UONXBWPCMJPDSY-UXHICEINSA-N 2 1 372.513 1.204 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000171565899 526039026 /nfs/dbraw/zinc/03/90/26/526039026.db2.gz BUKDPKCCGOHIFC-HXUWFJFHSA-N 2 1 356.514 1.742 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171706388 526087283 /nfs/dbraw/zinc/08/72/83/526087283.db2.gz XJEDOJYCHIKDTC-IYBDPMFKSA-N 2 1 352.523 1.824 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171706388 526087293 /nfs/dbraw/zinc/08/72/93/526087293.db2.gz XJEDOJYCHIKDTC-IYBDPMFKSA-N 2 1 352.523 1.824 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cn(-c2ccc(OC)cc2)nn1 ZINC000304931102 537598119 /nfs/dbraw/zinc/59/81/19/537598119.db2.gz CHKOWKHRBSNLOD-MRXNPFEDSA-N 2 1 357.462 1.165 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000375901823 537797073 /nfs/dbraw/zinc/79/70/73/537797073.db2.gz LHRPASOEVBSDOV-VQTJNVASSA-N 2 1 372.513 1.398 20 30 FDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000451678213 538300587 /nfs/dbraw/zinc/30/05/87/538300587.db2.gz WOGDTOKZNDUYOO-UXHICEINSA-N 2 1 357.498 1.962 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000434197553 538309266 /nfs/dbraw/zinc/30/92/66/538309266.db2.gz RGARJTDOUDTZNQ-UHFFFAOYSA-N 2 1 352.523 1.779 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000434197553 538309270 /nfs/dbraw/zinc/30/92/70/538309270.db2.gz RGARJTDOUDTZNQ-UHFFFAOYSA-N 2 1 352.523 1.779 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000483918182 538746373 /nfs/dbraw/zinc/74/63/73/538746373.db2.gz RCELZEBZZPLZOK-MRXNPFEDSA-N 2 1 364.534 1.380 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000561450429 545856157 /nfs/dbraw/zinc/85/61/57/545856157.db2.gz JXWYNKKLXKWXAF-SFHVURJKSA-N 2 1 364.534 1.476 20 30 FDEDMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000565713669 547452628 /nfs/dbraw/zinc/45/26/28/547452628.db2.gz JFUAOWITKHCHLL-RBUKOAKNSA-N 2 1 357.502 1.503 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000565713669 547452634 /nfs/dbraw/zinc/45/26/34/547452634.db2.gz JFUAOWITKHCHLL-RBUKOAKNSA-N 2 1 357.502 1.503 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000569961180 549110379 /nfs/dbraw/zinc/11/03/79/549110379.db2.gz ZZBSLEKICLZWIH-QGZVFWFLSA-N 2 1 359.470 1.551 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574324582 550295936 /nfs/dbraw/zinc/29/59/36/550295936.db2.gz RYUJXSLKWVMXNQ-CRAIPNDOSA-N 2 1 356.474 1.828 20 30 FDEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574324582 550295938 /nfs/dbraw/zinc/29/59/38/550295938.db2.gz RYUJXSLKWVMXNQ-CRAIPNDOSA-N 2 1 356.474 1.828 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)CN(C)CCC#N)c2)CCO1 ZINC000581066862 551048478 /nfs/dbraw/zinc/04/84/78/551048478.db2.gz ZCZGFMQKHOQATC-XLIONFOSSA-N 2 1 360.502 1.203 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)CN(C)CCC#N)c2)CCO1 ZINC000581066862 551048480 /nfs/dbraw/zinc/04/84/80/551048480.db2.gz ZCZGFMQKHOQATC-XLIONFOSSA-N 2 1 360.502 1.203 20 30 FDEDMP N#CC[C@@]1(O)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC000592150634 551950616 /nfs/dbraw/zinc/95/06/16/551950616.db2.gz FKNBKDMRGLVXQP-WOJBJXKFSA-N 2 1 354.454 1.388 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOCc1ccc(Cl)cc1 ZINC000124887791 671742394 /nfs/dbraw/zinc/74/23/94/671742394.db2.gz MKSFUSATDSVBAP-UHFFFAOYSA-N 2 1 354.882 1.483 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCCS1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000261939140 672697751 /nfs/dbraw/zinc/69/77/51/672697751.db2.gz DDZPDTFXZRICMD-KRWDZBQOSA-N 2 1 367.607 1.997 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262805029 672850740 /nfs/dbraw/zinc/85/07/40/672850740.db2.gz RUSSAOLCZAYTNG-FUHWJXTLSA-N 3 1 353.580 1.559 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CCCC[N@H+]1CC)N1CCN(C(=O)C(C)C)CC1 ZINC000262820533 672851705 /nfs/dbraw/zinc/85/17/05/672851705.db2.gz WVTRJEVOOCJWFI-QGZVFWFLSA-N 2 1 351.539 1.627 20 30 FDEDMP CCN(CC)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccco1 ZINC000264068745 672900126 /nfs/dbraw/zinc/90/01/26/672900126.db2.gz CLOVGQYKJKCNEG-MRXNPFEDSA-N 2 1 351.495 1.289 20 30 FDEDMP COc1ccc(OC)c(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000303776244 676542915 /nfs/dbraw/zinc/54/29/15/676542915.db2.gz HTHMPISPFUBCLW-OKILXGFUSA-N 2 1 350.463 1.930 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000303876845 676543508 /nfs/dbraw/zinc/54/35/08/676543508.db2.gz FBJFOCJLEGUCJM-HUUCEWRRSA-N 2 1 353.511 1.775 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(c2ccc(Cl)cc2)CC1 ZINC000303970812 676543903 /nfs/dbraw/zinc/54/39/03/676543903.db2.gz CYJRLFQPVUNCPN-UHFFFAOYSA-N 2 1 350.894 1.998 20 30 FDEDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000330859770 676706908 /nfs/dbraw/zinc/70/69/08/676706908.db2.gz RIECHMXXOHQXFB-FGTMMUONSA-N 2 1 354.539 1.798 20 30 FDEDMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330859770 676706910 /nfs/dbraw/zinc/70/69/10/676706910.db2.gz RIECHMXXOHQXFB-FGTMMUONSA-N 2 1 354.539 1.798 20 30 FDEDMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000330859770 676706912 /nfs/dbraw/zinc/70/69/12/676706912.db2.gz RIECHMXXOHQXFB-FGTMMUONSA-N 2 1 354.539 1.798 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363635105 676966493 /nfs/dbraw/zinc/96/64/93/676966493.db2.gz RSMDPUYOMSWGBH-IBGZPJMESA-N 2 1 350.507 1.475 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364342204 677009076 /nfs/dbraw/zinc/00/90/76/677009076.db2.gz MAJVWRLIADTMBN-XMTFNYHQSA-N 2 1 350.507 1.474 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000364342204 677009077 /nfs/dbraw/zinc/00/90/77/677009077.db2.gz MAJVWRLIADTMBN-XMTFNYHQSA-N 2 1 350.507 1.474 20 30 FDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481959 772043338 /nfs/dbraw/zinc/04/33/38/772043338.db2.gz ZIYJXTAPGXXLEO-UJRDFLTJSA-N 2 1 359.514 1.644 20 30 FDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289985 773663794 /nfs/dbraw/zinc/66/37/94/773663794.db2.gz VYJFWPYWWXIXPH-DJIMGWMZSA-N 2 1 367.925 1.640 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471871742 779467028 /nfs/dbraw/zinc/46/70/28/779467028.db2.gz MSVOXKKADPQTNZ-ZWKOTPCHSA-N 2 1 358.486 1.670 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471871742 779467031 /nfs/dbraw/zinc/46/70/31/779467031.db2.gz MSVOXKKADPQTNZ-ZWKOTPCHSA-N 2 1 358.486 1.670 20 30 FDEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098610944 794273451 /nfs/dbraw/zinc/27/34/51/794273451.db2.gz RTROZQLPMOOYSP-FGTMMUONSA-N 2 1 365.518 1.364 20 30 FDEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098610944 794273455 /nfs/dbraw/zinc/27/34/55/794273455.db2.gz RTROZQLPMOOYSP-FGTMMUONSA-N 2 1 365.518 1.364 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105096938 795262343 /nfs/dbraw/zinc/26/23/43/795262343.db2.gz FLKCBSRHEXHXDV-TZIWHRDSSA-N 2 1 371.525 1.842 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001105096938 795262346 /nfs/dbraw/zinc/26/23/46/795262346.db2.gz FLKCBSRHEXHXDV-TZIWHRDSSA-N 2 1 371.525 1.842 20 30 FDEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000195522525 796224235 /nfs/dbraw/zinc/22/42/35/796224235.db2.gz KFBDRJHBVPAPIL-IBGZPJMESA-N 2 1 359.518 1.407 20 30 FDEDMP C=CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000662757720 803073027 /nfs/dbraw/zinc/07/30/27/803073027.db2.gz LSBJRJBCTGDZCF-NRFANRHFSA-N 2 1 356.514 1.749 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001027466009 804353977 /nfs/dbraw/zinc/35/39/77/804353977.db2.gz ZOGGNOWKYPRSJI-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001027466009 804353982 /nfs/dbraw/zinc/35/39/82/804353982.db2.gz ZOGGNOWKYPRSJI-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001027466009 804353989 /nfs/dbraw/zinc/35/39/89/804353989.db2.gz ZOGGNOWKYPRSJI-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001027466009 804353996 /nfs/dbraw/zinc/35/39/96/804353996.db2.gz ZOGGNOWKYPRSJI-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001027465969 804354054 /nfs/dbraw/zinc/35/40/54/804354054.db2.gz YYDGMEYVIOAVDM-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001027465969 804354064 /nfs/dbraw/zinc/35/40/64/804354064.db2.gz YYDGMEYVIOAVDM-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001027465969 804354072 /nfs/dbraw/zinc/35/40/72/804354072.db2.gz YYDGMEYVIOAVDM-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001027465969 804354081 /nfs/dbraw/zinc/35/40/81/804354081.db2.gz YYDGMEYVIOAVDM-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC000978351611 805364744 /nfs/dbraw/zinc/36/47/44/805364744.db2.gz ILFFVEMPZPBKHY-LELZANKISA-N 2 1 367.493 1.051 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC000978351611 805364754 /nfs/dbraw/zinc/36/47/54/805364754.db2.gz ILFFVEMPZPBKHY-LELZANKISA-N 2 1 367.493 1.051 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC000978351611 805364764 /nfs/dbraw/zinc/36/47/64/805364764.db2.gz ILFFVEMPZPBKHY-LELZANKISA-N 2 1 367.493 1.051 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC000978351611 805364772 /nfs/dbraw/zinc/36/47/72/805364772.db2.gz ILFFVEMPZPBKHY-LELZANKISA-N 2 1 367.493 1.051 20 30 FDEDMP C=CCN1CC[C@@H](N2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1=O ZINC000981199770 807705734 /nfs/dbraw/zinc/70/57/34/807705734.db2.gz BNBNGCMYDKITNT-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1=O ZINC000981199770 807705739 /nfs/dbraw/zinc/70/57/39/807705739.db2.gz BNBNGCMYDKITNT-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1=O ZINC000981199770 807705744 /nfs/dbraw/zinc/70/57/44/807705744.db2.gz BNBNGCMYDKITNT-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1=O ZINC000981199770 807705752 /nfs/dbraw/zinc/70/57/52/807705752.db2.gz BNBNGCMYDKITNT-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1=O ZINC000981199770 807705758 /nfs/dbraw/zinc/70/57/58/807705758.db2.gz BNBNGCMYDKITNT-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C2)CC[N@H+]1C ZINC001028551094 810625136 /nfs/dbraw/zinc/62/51/36/810625136.db2.gz ZWCZVZRQORZXIG-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC[NH+]1C ZINC001028551094 810625139 /nfs/dbraw/zinc/62/51/39/810625139.db2.gz ZWCZVZRQORZXIG-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC[NH+]1C ZINC001028551094 810625142 /nfs/dbraw/zinc/62/51/42/810625142.db2.gz ZWCZVZRQORZXIG-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP Cn1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(-c2ccccc2)n1 ZINC000272727579 814777275 /nfs/dbraw/zinc/77/72/75/814777275.db2.gz AROMFOAWEJHTQZ-UHFFFAOYSA-N 2 1 356.474 1.214 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3C#N)C2)O1 ZINC000984016034 820544907 /nfs/dbraw/zinc/54/49/07/820544907.db2.gz QTZPVMZNBBXFDR-OHDICMOHSA-N 2 1 356.470 1.262 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087837068 822547779 /nfs/dbraw/zinc/54/77/79/822547779.db2.gz SKULGVHTPHMIKU-ZCNNSNEGSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087837068 822547780 /nfs/dbraw/zinc/54/77/80/822547780.db2.gz SKULGVHTPHMIKU-ZCNNSNEGSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087837068 822547781 /nfs/dbraw/zinc/54/77/81/822547781.db2.gz SKULGVHTPHMIKU-ZCNNSNEGSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087837068 822547782 /nfs/dbraw/zinc/54/77/82/822547782.db2.gz SKULGVHTPHMIKU-ZCNNSNEGSA-N 2 1 370.497 1.748 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969730 824263564 /nfs/dbraw/zinc/26/35/64/824263564.db2.gz KSUKYASVIFQMEV-MSOLQXFVSA-N 2 1 359.518 1.805 20 30 FDEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329301800 824724489 /nfs/dbraw/zinc/72/44/89/824724489.db2.gz WMBYZEGIXXCWKJ-MKXGPGLRSA-N 2 1 364.534 1.885 20 30 FDEDMP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329303619 824725124 /nfs/dbraw/zinc/72/51/24/824725124.db2.gz NZGWAWIBAJSLIG-SFHVURJKSA-N 2 1 372.513 1.884 20 30 FDEDMP Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)CC2)cn1 ZINC000329330643 824740253 /nfs/dbraw/zinc/74/02/53/824740253.db2.gz LUKHRZHGBHKUKT-MSOLQXFVSA-N 2 1 360.506 1.469 20 30 FDEDMP Cn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)CC2)cn1 ZINC000329330643 824740269 /nfs/dbraw/zinc/74/02/69/824740269.db2.gz LUKHRZHGBHKUKT-MSOLQXFVSA-N 2 1 360.506 1.469 20 30 FDEDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cn1 ZINC000329330643 824740277 /nfs/dbraw/zinc/74/02/77/824740277.db2.gz LUKHRZHGBHKUKT-MSOLQXFVSA-N 2 1 360.506 1.469 20 30 FDEDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cn1 ZINC000329330643 824740289 /nfs/dbraw/zinc/74/02/89/824740289.db2.gz LUKHRZHGBHKUKT-MSOLQXFVSA-N 2 1 360.506 1.469 20 30 FDEDMP O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329466523 824812971 /nfs/dbraw/zinc/81/29/71/824812971.db2.gz SBCDEMXBEAWSNO-GOSISDBHSA-N 2 1 358.486 1.759 20 30 FDEDMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000329466523 824812979 /nfs/dbraw/zinc/81/29/79/824812979.db2.gz SBCDEMXBEAWSNO-GOSISDBHSA-N 2 1 358.486 1.759 20 30 FDEDMP O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329677645 825285294 /nfs/dbraw/zinc/28/52/94/825285294.db2.gz WRIHMIJTWIYVQW-KSZLIROESA-N 2 1 365.518 1.681 20 30 FDEDMP O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329677645 825285305 /nfs/dbraw/zinc/28/53/05/825285305.db2.gz WRIHMIJTWIYVQW-KSZLIROESA-N 2 1 365.518 1.681 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262839074 831638374 /nfs/dbraw/zinc/63/83/74/831638374.db2.gz WXJRRLNAKJUGSM-MRXNPFEDSA-N 2 1 353.474 1.477 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262839074 831638376 /nfs/dbraw/zinc/63/83/76/831638376.db2.gz WXJRRLNAKJUGSM-MRXNPFEDSA-N 3 1 353.474 1.477 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001088494148 831772699 /nfs/dbraw/zinc/77/26/99/831772699.db2.gz NTXMAYDHNMOALE-MNEFBYGVSA-N 2 1 356.470 1.762 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001088494148 831772706 /nfs/dbraw/zinc/77/27/06/831772706.db2.gz NTXMAYDHNMOALE-MNEFBYGVSA-N 2 1 356.470 1.762 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001088494148 831772709 /nfs/dbraw/zinc/77/27/09/831772709.db2.gz NTXMAYDHNMOALE-MNEFBYGVSA-N 2 1 356.470 1.762 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C)C(C)C ZINC000480513451 845375650 /nfs/dbraw/zinc/37/56/50/845375650.db2.gz CXUAOSUQKYDNQN-IPMKNSEASA-N 2 1 366.550 1.782 20 30 FDEDMP CC(C)C[NH+]1CCN(C(NCCc2nnc3ccccn32)=[NH+]C2CC2)CC1 ZINC000899893116 846846146 /nfs/dbraw/zinc/84/61/46/846846146.db2.gz LDSKMZKPULAHQW-UHFFFAOYSA-N 2 1 369.517 1.653 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)no4)C[C@H]32)CC1 ZINC001076604663 848554460 /nfs/dbraw/zinc/55/44/60/848554460.db2.gz PXHSZLBCQNJJAL-PKOBYXMFSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)no4)C[C@H]32)CC1 ZINC001076604663 848554462 /nfs/dbraw/zinc/55/44/62/848554462.db2.gz PXHSZLBCQNJJAL-PKOBYXMFSA-N 2 1 356.470 1.361 20 30 FDEDMP C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903772297 850610934 /nfs/dbraw/zinc/61/09/34/850610934.db2.gz ZPIULBUGPONJAU-QRQLOZEOSA-N 2 1 374.529 1.228 20 30 FDEDMP C=CC[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000903772297 850610940 /nfs/dbraw/zinc/61/09/40/850610940.db2.gz ZPIULBUGPONJAU-QRQLOZEOSA-N 2 1 374.529 1.228 20 30 FDEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593057 852222329 /nfs/dbraw/zinc/22/23/29/852222329.db2.gz CAKYHVPNDVVBRC-AQNXPRMDSA-N 2 1 370.497 1.340 20 30 FDEDMP C[C@@H](CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C)Cn1cccn1 ZINC000912505662 859831543 /nfs/dbraw/zinc/83/15/43/859831543.db2.gz CJWNLMFIHYUZJR-KRWDZBQOSA-N 2 1 364.538 1.575 20 30 FDEDMP CC(C)(C)[NH+]=C(NCCCCn1ccnc1)NCCC[NH+]1CCOCC1 ZINC000912506017 859831692 /nfs/dbraw/zinc/83/16/92/859831692.db2.gz FQDZTJSQTYNUIS-UHFFFAOYSA-N 2 1 364.538 1.719 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000669034076 860854969 /nfs/dbraw/zinc/85/49/69/860854969.db2.gz HQLPYSFOGBDCLO-SQNIBIBYSA-N 2 1 374.533 1.776 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000669034076 860854985 /nfs/dbraw/zinc/85/49/85/860854985.db2.gz HQLPYSFOGBDCLO-SQNIBIBYSA-N 2 1 374.533 1.776 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000669034076 860854999 /nfs/dbraw/zinc/85/49/99/860854999.db2.gz HQLPYSFOGBDCLO-SQNIBIBYSA-N 2 1 374.533 1.776 20 30 FDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CC2CC[NH+](C)CC2)CC1=O ZINC000153987433 881627207 /nfs/dbraw/zinc/62/72/07/881627207.db2.gz DRCSSADQUNGOQI-UHFFFAOYSA-N 2 1 353.470 1.988 20 30 FDEDMP C#CCN(C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000913976929 870188861 /nfs/dbraw/zinc/18/88/61/870188861.db2.gz BESXNTFBAXEWLD-IAGOWNOFSA-N 2 1 364.534 1.613 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001106775490 877743530 /nfs/dbraw/zinc/74/35/30/877743530.db2.gz KNDVWWBTKOMFFP-QZTJIDSGSA-N 2 1 366.550 1.485 20 30 FDEDMP CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034209872 883934710 /nfs/dbraw/zinc/93/47/10/883934710.db2.gz LGRATJKPDFAUEB-ZCNNSNEGSA-N 2 1 361.530 1.727 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001034272551 884062839 /nfs/dbraw/zinc/06/28/39/884062839.db2.gz MLIKOYLNPUESJW-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001034272551 884062865 /nfs/dbraw/zinc/06/28/65/884062865.db2.gz MLIKOYLNPUESJW-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001034272551 884062884 /nfs/dbraw/zinc/06/28/84/884062884.db2.gz MLIKOYLNPUESJW-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001034272551 884062895 /nfs/dbraw/zinc/06/28/95/884062895.db2.gz MLIKOYLNPUESJW-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029888 885342277 /nfs/dbraw/zinc/34/22/77/885342277.db2.gz OALFOUBTMQFFEV-ZACQAIPSSA-N 2 1 366.485 1.266 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257710 886932821 /nfs/dbraw/zinc/93/28/21/886932821.db2.gz LKAXBGNWNUXDSK-SQNIBIBYSA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276475 887583341 /nfs/dbraw/zinc/58/33/41/887583341.db2.gz MHKBHIJTPQZGFA-SJORKVTESA-N 2 1 360.506 1.318 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276475 887583345 /nfs/dbraw/zinc/58/33/45/887583345.db2.gz MHKBHIJTPQZGFA-SJORKVTESA-N 2 1 360.506 1.318 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](n2ccnn2)C1 ZINC001129276475 887583355 /nfs/dbraw/zinc/58/33/55/887583355.db2.gz MHKBHIJTPQZGFA-SJORKVTESA-N 2 1 360.506 1.318 20 30 FDEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923377639 889049386 /nfs/dbraw/zinc/04/93/86/889049386.db2.gz ADSHYWNRYLVXSN-IRXDYDNUSA-N 2 1 350.459 1.213 20 30 FDEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923377639 889049400 /nfs/dbraw/zinc/04/94/00/889049400.db2.gz ADSHYWNRYLVXSN-IRXDYDNUSA-N 2 1 350.459 1.213 20 30 FDEDMP N#Cc1ccccc1OC[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000923432055 889231303 /nfs/dbraw/zinc/23/13/03/889231303.db2.gz WDAUVDXAPDALEE-ZCNNSNEGSA-N 2 1 370.497 1.199 20 30 FDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923432055 889231323 /nfs/dbraw/zinc/23/13/23/889231323.db2.gz WDAUVDXAPDALEE-ZCNNSNEGSA-N 2 1 370.497 1.199 20 30 FDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923432055 889231342 /nfs/dbraw/zinc/23/13/42/889231342.db2.gz WDAUVDXAPDALEE-ZCNNSNEGSA-N 2 1 370.497 1.199 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@@H]2O)CC1 ZINC001084087910 913360363 /nfs/dbraw/zinc/36/03/63/913360363.db2.gz GZWZGUVVSFSYAX-DBVUQKKJSA-N 2 1 355.482 1.254 20 30 FDEDMP C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)n1 ZINC001128107612 896968256 /nfs/dbraw/zinc/96/82/56/896968256.db2.gz WAAXVBLXHNJVMW-CEXWTWQISA-N 2 1 371.529 1.782 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3)C[C@H]2O)CC1 ZINC001078227324 898429696 /nfs/dbraw/zinc/42/96/96/898429696.db2.gz VBPYIPCTZMECSP-NHCUHLMSSA-N 2 1 369.509 1.126 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1F ZINC001079316147 902411955 /nfs/dbraw/zinc/41/19/55/902411955.db2.gz ZKKIVJOPJDIRLZ-PKOBYXMFSA-N 2 1 361.461 1.618 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC001080138719 904779773 /nfs/dbraw/zinc/77/97/73/904779773.db2.gz OCAQNBRAXXHWOQ-DNVCBOLYSA-N 2 1 367.453 1.731 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC001080138719 904779788 /nfs/dbraw/zinc/77/97/88/904779788.db2.gz OCAQNBRAXXHWOQ-DNVCBOLYSA-N 2 1 367.453 1.731 20 30 FDEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107538153 905435597 /nfs/dbraw/zinc/43/55/97/905435597.db2.gz IRXAINNCTHSCIW-YVWKXTFCSA-N 2 1 364.534 1.236 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080441461 905440283 /nfs/dbraw/zinc/44/02/83/905440283.db2.gz MIAKOLWKESTCRY-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001080441461 905440288 /nfs/dbraw/zinc/44/02/88/905440288.db2.gz MIAKOLWKESTCRY-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001080441461 905440293 /nfs/dbraw/zinc/44/02/93/905440293.db2.gz MIAKOLWKESTCRY-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001080441461 905440301 /nfs/dbraw/zinc/44/03/01/905440301.db2.gz MIAKOLWKESTCRY-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)CC1 ZINC001080997436 906971061 /nfs/dbraw/zinc/97/10/61/906971061.db2.gz DALFYTXEGNZTJM-DYESRHJHSA-N 2 1 364.493 1.840 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150851 907263142 /nfs/dbraw/zinc/26/31/42/907263142.db2.gz GWSXBHWLLIZGEF-LZWWZHRGSA-N 2 1 367.493 1.620 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]2OC)CC1 ZINC001082383154 907373313 /nfs/dbraw/zinc/37/33/13/907373313.db2.gz KOOHJIOZUABVSR-WOJBJXKFSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001082567780 908702045 /nfs/dbraw/zinc/70/20/45/908702045.db2.gz ALVTZDLVHQIWAR-OIISXLGYSA-N 2 1 360.889 1.769 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC001082567780 908702052 /nfs/dbraw/zinc/70/20/52/908702052.db2.gz ALVTZDLVHQIWAR-OIISXLGYSA-N 2 1 360.889 1.769 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(COC)c2)C1 ZINC001082567892 908705033 /nfs/dbraw/zinc/70/50/33/908705033.db2.gz JOAKQQVJFHICES-UIFIKXQLSA-N 2 1 369.509 1.867 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(COC)c2)C1 ZINC001082567892 908705041 /nfs/dbraw/zinc/70/50/41/908705041.db2.gz JOAKQQVJFHICES-UIFIKXQLSA-N 2 1 369.509 1.867 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001084830387 917506702 /nfs/dbraw/zinc/50/67/02/917506702.db2.gz UIHKVPZOCJSAOZ-QWFCFKBJSA-N 2 1 355.457 1.662 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001084830387 917506714 /nfs/dbraw/zinc/50/67/14/917506714.db2.gz UIHKVPZOCJSAOZ-QWFCFKBJSA-N 2 1 355.457 1.662 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001084830387 917506729 /nfs/dbraw/zinc/50/67/29/917506729.db2.gz UIHKVPZOCJSAOZ-QWFCFKBJSA-N 2 1 355.457 1.662 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)C1 ZINC001084830387 917506735 /nfs/dbraw/zinc/50/67/35/917506735.db2.gz UIHKVPZOCJSAOZ-QWFCFKBJSA-N 2 1 355.457 1.662 20 30 FDEDMP C[NH+](C)CC1(O)CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000826779165 924325235 /nfs/dbraw/zinc/32/52/35/924325235.db2.gz DKSRBPDGRKDXMI-SFHVURJKSA-N 2 1 356.470 1.442 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002632 931046010 /nfs/dbraw/zinc/04/60/10/931046010.db2.gz OELOBCXTWGYABN-NCOADZHNSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002632 931046025 /nfs/dbraw/zinc/04/60/25/931046025.db2.gz OELOBCXTWGYABN-NCOADZHNSA-N 2 1 350.507 1.131 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2c2ccccc2)CC1 ZINC001086625039 938509008 /nfs/dbraw/zinc/50/90/08/938509008.db2.gz HUELZLARBLXGNA-DZFGPLHGSA-N 2 1 369.509 1.297 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131017790 940438609 /nfs/dbraw/zinc/43/86/09/940438609.db2.gz LUIHQZHSWNEAEF-KURKYZTESA-N 2 1 359.518 1.755 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1cncn1C ZINC001131020582 940453173 /nfs/dbraw/zinc/45/31/73/940453173.db2.gz XXJVUVDFZPINBJ-HUUCEWRRSA-N 2 1 367.925 1.787 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1cncn1C ZINC001131020582 940453174 /nfs/dbraw/zinc/45/31/74/940453174.db2.gz XXJVUVDFZPINBJ-HUUCEWRRSA-N 2 1 367.925 1.787 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001086664687 940551929 /nfs/dbraw/zinc/55/19/29/940551929.db2.gz AFJZZPAWDGATGY-JJRVBVJISA-N 2 1 362.499 1.325 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001086664687 940551930 /nfs/dbraw/zinc/55/19/30/940551930.db2.gz AFJZZPAWDGATGY-JJRVBVJISA-N 2 1 362.499 1.325 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001131552630 940729075 /nfs/dbraw/zinc/72/90/75/940729075.db2.gz ZIZZEDWJERWRET-FFGOWVMKSA-N 2 1 361.530 1.726 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001086732120 942012033 /nfs/dbraw/zinc/01/20/33/942012033.db2.gz WDKZMNGHUOQMPJ-XWPNQZOQSA-N 2 1 370.497 1.652 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001086732120 942012039 /nfs/dbraw/zinc/01/20/39/942012039.db2.gz WDKZMNGHUOQMPJ-XWPNQZOQSA-N 2 1 370.497 1.652 20 30 FDEDMP C#C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C1CCOCC1 ZINC000823181829 945523008 /nfs/dbraw/zinc/52/30/08/945523008.db2.gz PAHKSOMGEZSPKT-RTBURBONSA-N 2 1 364.534 1.472 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000961990544 1013108488 /nfs/dbraw/zinc/10/84/88/1013108488.db2.gz KGHJCTKQYDKLSH-YOODTLSXSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000961990544 1013108498 /nfs/dbraw/zinc/10/84/98/1013108498.db2.gz KGHJCTKQYDKLSH-YOODTLSXSA-N 2 1 356.470 1.262 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091530715 951939100 /nfs/dbraw/zinc/93/91/00/951939100.db2.gz FUUCANDZXFOFHN-DYXWJJEUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091530715 951939101 /nfs/dbraw/zinc/93/91/01/951939101.db2.gz FUUCANDZXFOFHN-DYXWJJEUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091530715 951939105 /nfs/dbraw/zinc/93/91/05/951939105.db2.gz FUUCANDZXFOFHN-DYXWJJEUSA-N 2 1 352.482 1.933 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735807 952756141 /nfs/dbraw/zinc/75/61/41/952756141.db2.gz YFOQSXILGUIYGJ-QFUCXCTJSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735807 952756143 /nfs/dbraw/zinc/75/61/43/952756143.db2.gz YFOQSXILGUIYGJ-QFUCXCTJSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735807 952756145 /nfs/dbraw/zinc/75/61/45/952756145.db2.gz YFOQSXILGUIYGJ-QFUCXCTJSA-N 2 1 361.530 1.986 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3c(C)noc3C)C[C@@]2(C)C1 ZINC001091748116 952793147 /nfs/dbraw/zinc/79/31/47/952793147.db2.gz AJBKUSQMAFDBIS-LMNJBCLMSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3c(C)noc3C)C[C@@]2(C)C1 ZINC001091748116 952793150 /nfs/dbraw/zinc/79/31/50/952793150.db2.gz AJBKUSQMAFDBIS-LMNJBCLMSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3c(C)noc3C)C[C@@]2(C)C1 ZINC001091748116 952793151 /nfs/dbraw/zinc/79/31/51/952793151.db2.gz AJBKUSQMAFDBIS-LMNJBCLMSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3c(C)noc3C)C[C@@]2(C)C1 ZINC001091748116 952793154 /nfs/dbraw/zinc/79/31/54/952793154.db2.gz AJBKUSQMAFDBIS-LMNJBCLMSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1c1cnn(C)c1 ZINC001086979477 952993078 /nfs/dbraw/zinc/99/30/78/952993078.db2.gz AYIZEFVBKYCTMP-RYQLBKOJSA-N 2 1 368.485 1.348 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086982285 952994900 /nfs/dbraw/zinc/99/49/00/952994900.db2.gz CDCYUZDCCFCOFL-BBWFWOEESA-N 2 1 354.458 1.264 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011154 953103181 /nfs/dbraw/zinc/10/31/81/953103181.db2.gz HRXVZTFXUSUONL-ZCNNSNEGSA-N 2 1 365.481 1.240 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939514 971998433 /nfs/dbraw/zinc/99/84/33/971998433.db2.gz KINKDJCMHJNARR-RTBURBONSA-N 2 1 369.550 1.621 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939514 971998437 /nfs/dbraw/zinc/99/84/37/971998437.db2.gz KINKDJCMHJNARR-RTBURBONSA-N 2 1 369.550 1.621 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725755 956315214 /nfs/dbraw/zinc/31/52/14/956315214.db2.gz ZDQZYCPKHVGBKX-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725755 956315225 /nfs/dbraw/zinc/31/52/25/956315225.db2.gz ZDQZYCPKHVGBKX-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092725755 956315233 /nfs/dbraw/zinc/31/52/33/956315233.db2.gz ZDQZYCPKHVGBKX-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092725755 956315241 /nfs/dbraw/zinc/31/52/41/956315241.db2.gz ZDQZYCPKHVGBKX-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ncccn3)C[C@H]2C)CC1 ZINC001093222883 957850738 /nfs/dbraw/zinc/85/07/38/957850738.db2.gz QVBGXUHZNWVAHZ-SJLPKXTDSA-N 2 1 355.486 1.006 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ncccn3)C[C@H]2C)CC1 ZINC001093222883 957850748 /nfs/dbraw/zinc/85/07/48/957850748.db2.gz QVBGXUHZNWVAHZ-SJLPKXTDSA-N 2 1 355.486 1.006 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@H]2C)CC1 ZINC001093224447 957856432 /nfs/dbraw/zinc/85/64/32/957856432.db2.gz WNSMXRXXDHAESF-ZHALLVOQSA-N 2 1 369.513 1.567 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000636677842 1013187583 /nfs/dbraw/zinc/18/75/83/1013187583.db2.gz YUMMZWYSXJJZJY-SFHVURJKSA-N 2 1 362.518 1.276 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001094220608 960042283 /nfs/dbraw/zinc/04/22/83/960042283.db2.gz JPXIWBUCKDXMGV-BHIYHBOVSA-N 2 1 370.497 1.725 20 30 FDEDMP C#C[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000775789833 972479678 /nfs/dbraw/zinc/47/96/78/972479678.db2.gz FFDNMGQNGPGQMK-GTAWCEEGSA-N 2 1 355.482 1.536 20 30 FDEDMP C#C[C@H]([NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000775789833 972479681 /nfs/dbraw/zinc/47/96/81/972479681.db2.gz FFDNMGQNGPGQMK-GTAWCEEGSA-N 2 1 355.482 1.536 20 30 FDEDMP COC(=O)[C@@H](CCCC[NH3+])[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173423809 962123318 /nfs/dbraw/zinc/12/33/18/962123318.db2.gz MZRMZSXUWJOJRE-GOSISDBHSA-N 2 1 372.469 1.423 20 30 FDEDMP C=CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001185955426 964215557 /nfs/dbraw/zinc/21/55/57/964215557.db2.gz TVDSGZFNPRMDBA-OKZBNKHCSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001185955426 964215560 /nfs/dbraw/zinc/21/55/60/964215560.db2.gz TVDSGZFNPRMDBA-OKZBNKHCSA-N 2 1 360.506 1.448 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000775216887 966729062 /nfs/dbraw/zinc/72/90/62/966729062.db2.gz KNSRLHNFPODWQP-NRFANRHFSA-N 2 1 369.509 1.918 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000775216887 966729069 /nfs/dbraw/zinc/72/90/69/966729069.db2.gz KNSRLHNFPODWQP-NRFANRHFSA-N 2 1 369.509 1.918 20 30 FDEDMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852873343 967680234 /nfs/dbraw/zinc/68/02/34/967680234.db2.gz SOOVGVQEBOWUJM-SFHVURJKSA-N 2 1 354.498 1.316 20 30 FDEDMP C#CC(C)(C)[N@@H+](C)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000794575228 973320929 /nfs/dbraw/zinc/32/09/29/973320929.db2.gz UOORISDECNWEMV-UHFFFAOYSA-N 2 1 357.502 1.901 20 30 FDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454770 975054994 /nfs/dbraw/zinc/05/49/94/975054994.db2.gz RWFWGQQEJNPEMM-HBMCJLEFSA-N 2 1 369.509 1.562 20 30 FDEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454944 975055831 /nfs/dbraw/zinc/05/58/31/975055831.db2.gz VSBBKNFWTYVWCL-ZCNNSNEGSA-N 2 1 357.498 1.725 20 30 FDEDMP C#CCC1(O)CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000880481734 979221576 /nfs/dbraw/zinc/22/15/76/979221576.db2.gz ZWXAGXIMDLWRRG-UYAOXDASSA-N 2 1 369.509 1.616 20 30 FDEDMP C#CCC1(O)CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000880481734 979221584 /nfs/dbraw/zinc/22/15/84/979221584.db2.gz ZWXAGXIMDLWRRG-UYAOXDASSA-N 2 1 369.509 1.616 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)C1 ZINC000884152660 982931237 /nfs/dbraw/zinc/93/12/37/982931237.db2.gz QTMCOGZCAWKWOI-GBESFXJTSA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)C1 ZINC000884152660 982931241 /nfs/dbraw/zinc/93/12/41/982931241.db2.gz QTMCOGZCAWKWOI-GBESFXJTSA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CCCOCC)C[C@@H]2C)C1 ZINC000884152660 982931244 /nfs/dbraw/zinc/93/12/44/982931244.db2.gz QTMCOGZCAWKWOI-GBESFXJTSA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](CCCOCC)C[C@@H]2C)C1 ZINC000884152660 982931250 /nfs/dbraw/zinc/93/12/50/982931250.db2.gz QTMCOGZCAWKWOI-GBESFXJTSA-N 2 1 364.534 1.520 20 30 FDEDMP Cc1cccc(C[NH+]2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)c1 ZINC000884179410 982952548 /nfs/dbraw/zinc/95/25/48/982952548.db2.gz NMIPQQXIUFGEGP-OBXNSHGQSA-N 2 1 352.482 1.779 20 30 FDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)cn1 ZINC000884187783 982964149 /nfs/dbraw/zinc/96/41/49/982964149.db2.gz PDUUEZULIBCFQV-KOHRHEQBSA-N 2 1 350.426 1.331 20 30 FDEDMP C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000886361721 986100324 /nfs/dbraw/zinc/10/03/24/986100324.db2.gz SQFFDIKISSUOPX-ICSRJNTNSA-N 2 1 369.509 1.869 20 30 FDEDMP C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000886361721 986100332 /nfs/dbraw/zinc/10/03/32/986100332.db2.gz SQFFDIKISSUOPX-ICSRJNTNSA-N 2 1 369.509 1.869 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368332621 988989313 /nfs/dbraw/zinc/98/93/13/988989313.db2.gz OORYCKKIODZZPY-FQEVSTJZSA-N 2 1 363.550 1.390 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000370569626 989848856 /nfs/dbraw/zinc/84/88/56/989848856.db2.gz PHTJSUYHTZLMOQ-MOPGFXCFSA-N 2 1 364.534 1.970 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000372610121 991267972 /nfs/dbraw/zinc/26/79/72/991267972.db2.gz KYJAQGKGNKYJIH-CALCHBBNSA-N 2 1 362.518 1.760 20 30 FDEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000372610121 991267977 /nfs/dbraw/zinc/26/79/77/991267977.db2.gz KYJAQGKGNKYJIH-CALCHBBNSA-N 2 1 362.518 1.760 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000876620824 992747847 /nfs/dbraw/zinc/74/78/47/992747847.db2.gz QAIGSLXLWNXIGC-GFCCVEGCSA-N 2 1 357.804 1.570 20 30 FDEDMP C[NH+]1CCC(n2cc(NC(=O)[C@H]3[NH2+]CCc4cc(C#N)ccc43)cn2)CC1 ZINC000877196372 993098877 /nfs/dbraw/zinc/09/88/77/993098877.db2.gz YGDALEMZYJZIHM-IBGZPJMESA-N 2 1 364.453 1.847 20 30 FDEDMP CC[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@@H+]3C[C@@H](CC)[C@H](O)C3)c2)C[C@@H]1O ZINC000878322070 993906586 /nfs/dbraw/zinc/90/65/86/993906586.db2.gz WFZNGDYGJBNVFQ-NCYKPQTJSA-N 2 1 357.498 1.964 20 30 FDEDMP CC[C@@H]1C[N@H+](Cc2cc(C#N)cc(C[NH+]3C[C@@H](CC)[C@H](O)C3)c2)C[C@@H]1O ZINC000878322070 993906590 /nfs/dbraw/zinc/90/65/90/993906590.db2.gz WFZNGDYGJBNVFQ-NCYKPQTJSA-N 2 1 357.498 1.964 20 30 FDEDMP CC[C@@H]1C[N@@H+](Cc2cc(C#N)cc(C[NH+]3C[C@@H](CC)[C@H](O)C3)c2)C[C@@H]1O ZINC000878322070 993906596 /nfs/dbraw/zinc/90/65/96/993906596.db2.gz WFZNGDYGJBNVFQ-NCYKPQTJSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259426 995762165 /nfs/dbraw/zinc/76/21/65/995762165.db2.gz SNQWKRHDXIUHOF-APWZRJJASA-N 2 1 352.438 1.904 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000264077758 997397615 /nfs/dbraw/zinc/39/76/15/997397615.db2.gz HUTXYSZQHKKDON-KRWDZBQOSA-N 2 1 363.506 1.433 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000890377460 998921221 /nfs/dbraw/zinc/92/12/21/998921221.db2.gz LSIUCVUEEORZNS-FQEVSTJZSA-N 2 1 367.497 1.729 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000890377460 998921222 /nfs/dbraw/zinc/92/12/22/998921222.db2.gz LSIUCVUEEORZNS-FQEVSTJZSA-N 2 1 367.497 1.729 20 30 FDEDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccn3)c2)C1 ZINC000267383777 999325083 /nfs/dbraw/zinc/32/50/83/999325083.db2.gz BFDAMPPBNAKALG-QGZVFWFLSA-N 2 1 366.469 1.706 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)ccc1N1CCOCC1 ZINC000267449772 999338742 /nfs/dbraw/zinc/33/87/42/999338742.db2.gz RCXXQJNLFDBIHU-KRWDZBQOSA-N 2 1 363.481 1.551 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000284210916 999780349 /nfs/dbraw/zinc/78/03/49/999780349.db2.gz WSHRFVPNVVVTCU-MSOLQXFVSA-N 2 1 364.534 1.211 20 30 FDEDMP C[NH+]1C[C@@]2(C)CN(CC#CCN3C[C@]4(C)C[N@H+](C)C[C@]4(C)C3)C[C@@]2(C)C1 ZINC000931313342 1004047784 /nfs/dbraw/zinc/04/77/84/1004047784.db2.gz BABBWXPNARCSEM-COPRSSIGSA-N 2 1 358.574 1.537 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000157392793 1006908786 /nfs/dbraw/zinc/90/87/86/1006908786.db2.gz HJPWTXWBMFWOQT-INIZCTEOSA-N 2 1 367.538 1.880 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000305045621 1008607653 /nfs/dbraw/zinc/60/76/53/1008607653.db2.gz XTLYJYIKAHQGTQ-GFCCVEGCSA-N 2 1 370.400 1.905 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111312394 1009018650 /nfs/dbraw/zinc/01/86/50/1009018650.db2.gz FDVBWXHRYMUMPA-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001111312394 1009018654 /nfs/dbraw/zinc/01/86/54/1009018654.db2.gz FDVBWXHRYMUMPA-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111312394 1009018668 /nfs/dbraw/zinc/01/86/68/1009018668.db2.gz FDVBWXHRYMUMPA-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111312394 1009018684 /nfs/dbraw/zinc/01/86/84/1009018684.db2.gz FDVBWXHRYMUMPA-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303788831 1009584113 /nfs/dbraw/zinc/58/41/13/1009584113.db2.gz UUESGEYBNBDNJE-IBGZPJMESA-N 2 1 359.518 1.407 20 30 FDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530230640 539915525 /nfs/dbraw/zinc/91/55/25/539915525.db2.gz IGUQBPJDDXGBFU-LJQANCHMSA-N 2 1 361.486 1.777 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000533445433 540248632 /nfs/dbraw/zinc/24/86/32/540248632.db2.gz FTHJWKWRNLBRIY-FQEVSTJZSA-N 2 1 369.513 1.987 20 30 FDEDMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333833568 259385518 /nfs/dbraw/zinc/38/55/18/259385518.db2.gz MZALSWPTDIAKLJ-APWZRJJASA-N 2 1 355.486 1.774 20 30 FDEDMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)[NH+]1CCSCC1 ZINC000151804051 524688808 /nfs/dbraw/zinc/68/88/08/524688808.db2.gz SKQGXQLTTKMWIN-MRXNPFEDSA-N 2 1 360.527 1.886 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000106258115 525683987 /nfs/dbraw/zinc/68/39/87/525683987.db2.gz DKUIJKQSGHGBQB-CALCHBBNSA-N 2 1 352.523 1.825 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNc1ccc(C#N)cc1 ZINC000129868218 525698817 /nfs/dbraw/zinc/69/88/17/525698817.db2.gz RKBZRMYWTSCXNA-LJQANCHMSA-N 2 1 357.502 1.845 20 30 FDEDMP COc1ccccc1CNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000170913040 525768575 /nfs/dbraw/zinc/76/85/75/525768575.db2.gz AEBDHWNXBWQSSO-LJQANCHMSA-N 2 1 368.481 1.519 20 30 FDEDMP CCN1CC[NH+](CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000130565500 525771277 /nfs/dbraw/zinc/77/12/77/525771277.db2.gz MMFRUKQKZUVANI-UHFFFAOYSA-N 2 1 371.529 1.476 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246231797 536906719 /nfs/dbraw/zinc/90/67/19/536906719.db2.gz UAXZDYWAWPJULH-SQNIBIBYSA-N 2 1 364.534 1.816 20 30 FDEDMP Cc1c(C#N)cccc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000188959691 536977605 /nfs/dbraw/zinc/97/76/05/536977605.db2.gz CZVFEQWKYRPZNO-UHFFFAOYSA-N 2 1 371.485 1.290 20 30 FDEDMP C=CCN(C(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371833695 537833273 /nfs/dbraw/zinc/83/32/73/537833273.db2.gz CNDHSUMNDQCIFH-PZJWPPBQSA-N 2 1 370.541 1.911 20 30 FDEDMP C=CCN(C(=O)[C@H](C)N1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371833695 537833279 /nfs/dbraw/zinc/83/32/79/537833279.db2.gz CNDHSUMNDQCIFH-PZJWPPBQSA-N 2 1 370.541 1.911 20 30 FDEDMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000483212143 538688637 /nfs/dbraw/zinc/68/86/37/538688637.db2.gz QZVOAHWDGWMRIG-KRWDZBQOSA-N 2 1 368.437 1.524 20 30 FDEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000569450050 548921701 /nfs/dbraw/zinc/92/17/01/548921701.db2.gz YCPBCMIWJXPZMX-IBGZPJMESA-N 2 1 361.530 1.770 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)c2)CCO1 ZINC000581066863 551048267 /nfs/dbraw/zinc/04/82/67/551048267.db2.gz ZCZGFMQKHOQATC-YLJYHZDGSA-N 2 1 360.502 1.203 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H](O)CN(C)CCC#N)c2)CCO1 ZINC000581066863 551048269 /nfs/dbraw/zinc/04/82/69/551048269.db2.gz ZCZGFMQKHOQATC-YLJYHZDGSA-N 2 1 360.502 1.203 20 30 FDEDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541735 551238871 /nfs/dbraw/zinc/23/88/71/551238871.db2.gz GQYSHSBXGBMYAT-PKOBYXMFSA-N 2 1 361.486 1.583 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000594441025 552311196 /nfs/dbraw/zinc/31/11/96/552311196.db2.gz LEJNGURGNRLVMV-IAGOWNOFSA-N 2 1 357.458 1.486 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000594441025 552311198 /nfs/dbraw/zinc/31/11/98/552311198.db2.gz LEJNGURGNRLVMV-IAGOWNOFSA-N 2 1 357.458 1.486 20 30 FDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595904525 552631409 /nfs/dbraw/zinc/63/14/09/552631409.db2.gz FDSKITWAAKOAIV-AZUAARDMSA-N 2 1 361.486 1.535 20 30 FDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595904525 552631411 /nfs/dbraw/zinc/63/14/11/552631411.db2.gz FDSKITWAAKOAIV-AZUAARDMSA-N 2 1 361.486 1.535 20 30 FDEDMP N#CC1(C[C@H](O)C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000600714093 553305960 /nfs/dbraw/zinc/30/59/60/553305960.db2.gz IZOFSLHEOAPYOT-FQEVSTJZSA-N 2 1 373.497 1.680 20 30 FDEDMP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000602890335 553661811 /nfs/dbraw/zinc/66/18/11/553661811.db2.gz HHQTUTKUAISPCM-GOSISDBHSA-N 2 1 364.877 1.929 20 30 FDEDMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000602890335 553661812 /nfs/dbraw/zinc/66/18/12/553661812.db2.gz HHQTUTKUAISPCM-GOSISDBHSA-N 2 1 364.877 1.929 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000611386258 554630432 /nfs/dbraw/zinc/63/04/32/554630432.db2.gz HJCPCYZHUDMISM-LPHOPBHVSA-N 2 1 358.486 1.682 20 30 FDEDMP C[NH+]=C(NCCc1sc(C)nc1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261822028 672678429 /nfs/dbraw/zinc/67/84/29/672678429.db2.gz ULRBNGGCBNFYKT-MRXNPFEDSA-N 2 1 365.547 1.532 20 30 FDEDMP C[NH+]=C(NCCN1CCc2sccc2C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261957168 672701984 /nfs/dbraw/zinc/70/19/84/672701984.db2.gz JCJUSBHYHLZQNG-WMLDXEAASA-N 2 1 361.559 1.754 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262364483 672776987 /nfs/dbraw/zinc/77/69/87/672776987.db2.gz HKBRLEPCJJZEMG-FCEWJHQRSA-N 2 1 352.523 1.420 20 30 FDEDMP O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000262422967 672787021 /nfs/dbraw/zinc/78/70/21/672787021.db2.gz RGCPOICHYROGPG-NVXWUHKLSA-N 2 1 368.547 1.089 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000262763275 672844306 /nfs/dbraw/zinc/84/43/06/672844306.db2.gz GPSUZKZHNCCANS-HDMKZQKVSA-N 2 1 369.579 1.236 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)nc1 ZINC000303894068 676543775 /nfs/dbraw/zinc/54/37/75/676543775.db2.gz OOYWNXJYZXVFOB-ZDUSSCGKSA-N 2 1 359.396 1.911 20 30 FDEDMP CC(C)(C)c1csc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000304759141 676544453 /nfs/dbraw/zinc/54/44/53/676544453.db2.gz QVBDKMSWRIHLIG-UHFFFAOYSA-N 2 1 353.536 1.610 20 30 FDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328920890 676612165 /nfs/dbraw/zinc/61/21/65/676612165.db2.gz BICJYVZYXPDNGA-GOSISDBHSA-N 2 1 351.539 1.390 20 30 FDEDMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329304967 676632196 /nfs/dbraw/zinc/63/21/96/676632196.db2.gz YECCWDSXVKCRMO-SJORKVTESA-N 2 1 370.563 1.307 20 30 FDEDMP C[N@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)C1 ZINC000330227769 676679675 /nfs/dbraw/zinc/67/96/75/676679675.db2.gz VBDYDSLHGOZGBA-AOIWGVFYSA-N 2 1 350.507 1.306 20 30 FDEDMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000330221764 676679696 /nfs/dbraw/zinc/67/96/96/676679696.db2.gz LYENZWQHQRMNGT-CGTJXYLNSA-N 2 1 352.523 1.552 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)C(C)C ZINC000457744620 683783467 /nfs/dbraw/zinc/78/34/67/683783467.db2.gz KSYMHDBZZVOWCZ-MSOLQXFVSA-N 2 1 352.523 1.393 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)C(C)C ZINC000457744620 683783473 /nfs/dbraw/zinc/78/34/73/683783473.db2.gz KSYMHDBZZVOWCZ-MSOLQXFVSA-N 2 1 352.523 1.393 20 30 FDEDMP C=CCOCCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000470852307 685080678 /nfs/dbraw/zinc/08/06/78/685080678.db2.gz VQYTXSKFQDNEIY-HOTGVXAUSA-N 2 1 351.470 1.984 20 30 FDEDMP C=CCOCCC[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000470852307 685080682 /nfs/dbraw/zinc/08/06/82/685080682.db2.gz VQYTXSKFQDNEIY-HOTGVXAUSA-N 2 1 351.470 1.984 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC001083244752 782709455 /nfs/dbraw/zinc/70/94/55/782709455.db2.gz INRSFGIGFGRKEJ-VQTJNVASSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083246062 783036292 /nfs/dbraw/zinc/03/62/92/783036292.db2.gz XKOXUWFOLWGVSY-RBUKOAKNSA-N 2 1 367.453 1.759 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)c2)C1 ZINC001104306277 774442536 /nfs/dbraw/zinc/44/25/36/774442536.db2.gz VDJRXGHAWAPYOI-QRQLOZEOSA-N 2 1 357.502 1.092 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnn(C)c2)C1 ZINC001104306277 774442541 /nfs/dbraw/zinc/44/25/41/774442541.db2.gz VDJRXGHAWAPYOI-QRQLOZEOSA-N 2 1 357.502 1.092 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N(C)C[C@@H]1CCOC1 ZINC000261667971 774839064 /nfs/dbraw/zinc/83/90/64/774839064.db2.gz OVKMEEIOOFMSSR-SFHVURJKSA-N 2 1 365.566 1.480 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000375889062 785223695 /nfs/dbraw/zinc/22/36/95/785223695.db2.gz JADZOHCQGXGPCV-FQEVSTJZSA-N 2 1 369.513 1.275 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NCc3ccc(C#N)cc3)C2)CC1 ZINC000375889062 785223707 /nfs/dbraw/zinc/22/37/07/785223707.db2.gz JADZOHCQGXGPCV-FQEVSTJZSA-N 2 1 369.513 1.275 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000376053087 785693113 /nfs/dbraw/zinc/69/31/13/785693113.db2.gz CTKCGCZPMOYPTE-SQNIBIBYSA-N 2 1 361.490 1.121 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000376053087 785693115 /nfs/dbraw/zinc/69/31/15/785693115.db2.gz CTKCGCZPMOYPTE-SQNIBIBYSA-N 2 1 361.490 1.121 20 30 FDEDMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)C1 ZINC001104573279 788195056 /nfs/dbraw/zinc/19/50/56/788195056.db2.gz PCCFTEGYHSYIPH-AQNXPRMDSA-N 2 1 363.546 1.832 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974602688 799881998 /nfs/dbraw/zinc/88/19/98/799881998.db2.gz MSKWCSVYARJLCM-QRVBRYPASA-N 2 1 361.530 1.583 20 30 FDEDMP C=CC[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000662685834 806958636 /nfs/dbraw/zinc/95/86/36/806958636.db2.gz YUOWNWNCHDWEPO-PXNSSMCTSA-N 2 1 356.470 1.773 20 30 FDEDMP C=CC[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000662685834 806958640 /nfs/dbraw/zinc/95/86/40/806958640.db2.gz YUOWNWNCHDWEPO-PXNSSMCTSA-N 2 1 356.470 1.773 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000272992813 814785495 /nfs/dbraw/zinc/78/54/95/814785495.db2.gz SYXZCCGNEDZZLE-MOPGFXCFSA-N 3 1 359.518 1.142 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272992813 814785496 /nfs/dbraw/zinc/78/54/96/814785496.db2.gz SYXZCCGNEDZZLE-MOPGFXCFSA-N 3 1 359.518 1.142 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272992813 814785497 /nfs/dbraw/zinc/78/54/97/814785497.db2.gz SYXZCCGNEDZZLE-MOPGFXCFSA-N 3 1 359.518 1.142 20 30 FDEDMP Cc1nnc(CNC(N[C@@H]2CC[N@@H+](C3CC3)C2)=[NH+]C2CCCCC2)n1C ZINC000261950644 817537851 /nfs/dbraw/zinc/53/78/51/817537851.db2.gz HFKQUQXBGUGQNW-MRXNPFEDSA-N 2 1 359.522 1.728 20 30 FDEDMP Cc1nnc(CNC(N[C@@H]2CC[N@H+](C3CC3)C2)=[NH+]C2CCCCC2)n1C ZINC000261950644 817537855 /nfs/dbraw/zinc/53/78/55/817537855.db2.gz HFKQUQXBGUGQNW-MRXNPFEDSA-N 2 1 359.522 1.728 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CCC[N@@H+]1C ZINC000330220904 825739403 /nfs/dbraw/zinc/73/94/03/825739403.db2.gz QQMORCBDXLLOPW-HQRMLTQVSA-N 2 1 374.533 1.745 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CCC[N@H+]1C ZINC000330220904 825739410 /nfs/dbraw/zinc/73/94/10/825739410.db2.gz QQMORCBDXLLOPW-HQRMLTQVSA-N 2 1 374.533 1.745 20 30 FDEDMP [NH2+]=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262486310 827417615 /nfs/dbraw/zinc/41/76/15/827417615.db2.gz UWGPMVRGBMVERB-SFHVURJKSA-N 3 1 352.486 1.767 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)C1 ZINC001088199450 827430066 /nfs/dbraw/zinc/43/00/66/827430066.db2.gz OIHUKYQYKPHCEF-AQNXPRMDSA-N 2 1 369.484 1.909 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)C1 ZINC001088199450 827430068 /nfs/dbraw/zinc/43/00/68/827430068.db2.gz OIHUKYQYKPHCEF-AQNXPRMDSA-N 2 1 369.484 1.909 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)C1 ZINC001088199450 827430074 /nfs/dbraw/zinc/43/00/74/827430074.db2.gz OIHUKYQYKPHCEF-AQNXPRMDSA-N 2 1 369.484 1.909 20 30 FDEDMP C#CCCN1CCN([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272050324 838426432 /nfs/dbraw/zinc/42/64/32/838426432.db2.gz UGAJXZOAUUNQEV-TZIWHRDSSA-N 2 1 368.525 1.407 20 30 FDEDMP C#CCC[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272050324 838426439 /nfs/dbraw/zinc/42/64/39/838426439.db2.gz UGAJXZOAUUNQEV-TZIWHRDSSA-N 2 1 368.525 1.407 20 30 FDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(OCC#N)c2)CC1 ZINC000760405741 839941142 /nfs/dbraw/zinc/94/11/42/839941142.db2.gz LCNJBRPNKLUDKB-UHFFFAOYSA-N 2 1 365.437 1.917 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)C(C)C ZINC000480513445 845375472 /nfs/dbraw/zinc/37/54/72/845375472.db2.gz CXUAOSUQKYDNQN-CEXWTWQISA-N 2 1 366.550 1.782 20 30 FDEDMP CCC[N@H+]1CC[C@@H](CNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912506021 859831619 /nfs/dbraw/zinc/83/16/19/859831619.db2.gz FRAQLBHVWVIPKM-SFHVURJKSA-N 2 1 367.582 1.774 20 30 FDEDMP CCC[N@@H+]1CC[C@@H](CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912506021 859831637 /nfs/dbraw/zinc/83/16/37/859831637.db2.gz FRAQLBHVWVIPKM-SFHVURJKSA-N 3 1 367.582 1.774 20 30 FDEDMP CCC[N@H+]1CC[C@@H](CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912506021 859831644 /nfs/dbraw/zinc/83/16/44/859831644.db2.gz FRAQLBHVWVIPKM-SFHVURJKSA-N 3 1 367.582 1.774 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000669032120 860845275 /nfs/dbraw/zinc/84/52/75/860845275.db2.gz AXEBRRURQXELOS-FJIDUMEYSA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC000669032120 860845285 /nfs/dbraw/zinc/84/52/85/860845285.db2.gz AXEBRRURQXELOS-FJIDUMEYSA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C ZINC000669032120 860845290 /nfs/dbraw/zinc/84/52/90/860845290.db2.gz AXEBRRURQXELOS-FJIDUMEYSA-N 2 1 374.533 1.919 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037309 866202823 /nfs/dbraw/zinc/20/28/23/866202823.db2.gz ACBPUNMUKHXKOD-KYJSFNMBSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001089037309 866202841 /nfs/dbraw/zinc/20/28/41/866202841.db2.gz ACBPUNMUKHXKOD-KYJSFNMBSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001089037309 866202858 /nfs/dbraw/zinc/20/28/58/866202858.db2.gz ACBPUNMUKHXKOD-KYJSFNMBSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001089037309 866202873 /nfs/dbraw/zinc/20/28/73/866202873.db2.gz ACBPUNMUKHXKOD-KYJSFNMBSA-N 2 1 356.470 1.598 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001089037935 866206030 /nfs/dbraw/zinc/20/60/30/866206030.db2.gz XCXTUUBLEBISGO-AYBZRNKSSA-N 2 1 356.470 1.620 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001089037935 866206046 /nfs/dbraw/zinc/20/60/46/866206046.db2.gz XCXTUUBLEBISGO-AYBZRNKSSA-N 2 1 356.470 1.620 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001089037935 866206064 /nfs/dbraw/zinc/20/60/64/866206064.db2.gz XCXTUUBLEBISGO-AYBZRNKSSA-N 2 1 356.470 1.620 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(OC)n3)[C@@H]2C)CC1 ZINC001089059965 866390552 /nfs/dbraw/zinc/39/05/52/866390552.db2.gz LAEWTCORZFHAOO-APWZRJJASA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccc(OC)n3)[C@@H]2C)CC1 ZINC001089059965 866390561 /nfs/dbraw/zinc/39/05/61/866390561.db2.gz LAEWTCORZFHAOO-APWZRJJASA-N 2 1 370.497 1.514 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](OC)C1 ZINC001212495871 872519299 /nfs/dbraw/zinc/51/92/99/872519299.db2.gz RMFBTARGUXTAGX-QZTJIDSGSA-N 2 1 358.442 1.274 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127488 885815599 /nfs/dbraw/zinc/81/55/99/885815599.db2.gz FELDQVYUEALLPB-SJORKVTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516321 886107880 /nfs/dbraw/zinc/10/78/80/886107880.db2.gz CZDBXTOVMHOJJW-ZCNNSNEGSA-N 2 1 357.498 1.725 20 30 FDEDMP C=CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516321 886107882 /nfs/dbraw/zinc/10/78/82/886107882.db2.gz CZDBXTOVMHOJJW-ZCNNSNEGSA-N 2 1 357.498 1.725 20 30 FDEDMP C=CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516321 886107886 /nfs/dbraw/zinc/10/78/86/886107886.db2.gz CZDBXTOVMHOJJW-ZCNNSNEGSA-N 2 1 357.498 1.725 20 30 FDEDMP C=CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516321 886107889 /nfs/dbraw/zinc/10/78/89/886107889.db2.gz CZDBXTOVMHOJJW-ZCNNSNEGSA-N 2 1 357.498 1.725 20 30 FDEDMP C[N@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000900044670 886843968 /nfs/dbraw/zinc/84/39/68/886843968.db2.gz FPGWAUPLGHEACB-QUCCMNQESA-N 2 1 356.470 1.048 20 30 FDEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986729 896517630 /nfs/dbraw/zinc/51/76/30/896517630.db2.gz JZIULMVKRSXTQM-OKZBNKHCSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999986729 896517640 /nfs/dbraw/zinc/51/76/40/896517640.db2.gz JZIULMVKRSXTQM-OKZBNKHCSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999986729 896517652 /nfs/dbraw/zinc/51/76/52/896517652.db2.gz JZIULMVKRSXTQM-OKZBNKHCSA-N 2 1 360.506 1.448 20 30 FDEDMP C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083166964 901916413 /nfs/dbraw/zinc/91/64/13/901916413.db2.gz RZJOZCMGDWWGLB-SNVBAGLBSA-N 2 1 369.391 1.444 20 30 FDEDMP C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083166964 901916415 /nfs/dbraw/zinc/91/64/15/901916415.db2.gz RZJOZCMGDWWGLB-SNVBAGLBSA-N 2 1 369.391 1.444 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270325 902328153 /nfs/dbraw/zinc/32/81/53/902328153.db2.gz MSSBVEATPNFQIM-GBESFXJTSA-N 2 1 361.530 1.844 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243100 902340612 /nfs/dbraw/zinc/34/06/12/902340612.db2.gz LDUUQHKPKQSXNA-INDMIFKZSA-N 2 1 359.514 1.289 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)O1 ZINC000995958581 902788054 /nfs/dbraw/zinc/78/80/54/902788054.db2.gz NKNJCQOZWHUDEO-ATZDWAIDSA-N 2 1 370.497 1.604 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C(C)(C)C2)O1 ZINC000995958581 902788067 /nfs/dbraw/zinc/78/80/67/902788067.db2.gz NKNJCQOZWHUDEO-ATZDWAIDSA-N 2 1 370.497 1.604 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3nccnc3C)C[C@H]2C)CC1 ZINC001080997446 906970905 /nfs/dbraw/zinc/97/09/05/906970905.db2.gz DJNSYTKHHWSXQC-CRAIPNDOSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3nccnc3C)C[C@H]2C)CC1 ZINC001080997446 906970917 /nfs/dbraw/zinc/97/09/17/906970917.db2.gz DJNSYTKHHWSXQC-CRAIPNDOSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001081168014 907288106 /nfs/dbraw/zinc/28/81/06/907288106.db2.gz CLAPGHSLVRJQEB-XUVXKRRUSA-N 2 1 355.482 1.313 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001081168014 907288124 /nfs/dbraw/zinc/28/81/24/907288124.db2.gz CLAPGHSLVRJQEB-XUVXKRRUSA-N 2 1 355.482 1.313 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(OC)cc2)C1 ZINC001082568512 908711043 /nfs/dbraw/zinc/71/10/43/908711043.db2.gz AHZKGLDFMIREBC-UIFIKXQLSA-N 2 1 369.509 1.772 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccc(OC)cc2)C1 ZINC001082568512 908711052 /nfs/dbraw/zinc/71/10/52/908711052.db2.gz AHZKGLDFMIREBC-UIFIKXQLSA-N 2 1 369.509 1.772 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC001082646441 909313297 /nfs/dbraw/zinc/31/32/97/909313297.db2.gz WMGXNNFRAFWGIS-FZKQIMNGSA-N 2 1 355.417 1.839 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4c(C)noc4C)C[C@H]32)CC1 ZINC001084850990 917656814 /nfs/dbraw/zinc/65/68/14/917656814.db2.gz HSSAVULNBCZDSF-UYAOXDASSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4c(C)noc4C)C[C@H]32)CC1 ZINC001084850990 917656820 /nfs/dbraw/zinc/65/68/20/917656820.db2.gz HSSAVULNBCZDSF-UYAOXDASSA-N 2 1 370.497 1.669 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)O1 ZINC001085243172 923126401 /nfs/dbraw/zinc/12/64/01/923126401.db2.gz XVRQAXYATQSTSU-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)O1 ZINC001085243172 923126404 /nfs/dbraw/zinc/12/64/04/923126404.db2.gz XVRQAXYATQSTSU-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC001085604484 924969232 /nfs/dbraw/zinc/96/92/32/924969232.db2.gz JLJZKOXHQCKFJW-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC001085604484 924969234 /nfs/dbraw/zinc/96/92/34/924969234.db2.gz JLJZKOXHQCKFJW-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(OCC#N)cc2)CC[NH+]1C ZINC001085604484 924969241 /nfs/dbraw/zinc/96/92/41/924969241.db2.gz JLJZKOXHQCKFJW-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(OCC#N)cc2)CC[NH+]1C ZINC001085604484 924969247 /nfs/dbraw/zinc/96/92/47/924969247.db2.gz JLJZKOXHQCKFJW-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000741206042 925630036 /nfs/dbraw/zinc/63/00/36/925630036.db2.gz VJERWTMZBOIZCG-WIYYLYMNSA-N 2 1 369.509 1.737 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000741206042 925630038 /nfs/dbraw/zinc/63/00/38/925630038.db2.gz VJERWTMZBOIZCG-WIYYLYMNSA-N 2 1 369.509 1.737 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326201 925902582 /nfs/dbraw/zinc/90/25/82/925902582.db2.gz CNWWWPPPVMTJRS-FGTMMUONSA-N 2 1 362.522 1.562 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326201 925902585 /nfs/dbraw/zinc/90/25/85/925902585.db2.gz CNWWWPPPVMTJRS-FGTMMUONSA-N 2 1 362.522 1.562 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001086120963 926051223 /nfs/dbraw/zinc/05/12/23/926051223.db2.gz VPILZFLMRURJOM-VWPFQQQWSA-N 2 1 362.499 1.323 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001086120963 926051229 /nfs/dbraw/zinc/05/12/29/926051229.db2.gz VPILZFLMRURJOM-VWPFQQQWSA-N 2 1 362.499 1.323 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)C1=O ZINC001110007383 931070802 /nfs/dbraw/zinc/07/08/02/931070802.db2.gz UENMTNWDVLSJJK-OWSLCNJRSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)C1=O ZINC001110007383 931070806 /nfs/dbraw/zinc/07/08/06/931070806.db2.gz UENMTNWDVLSJJK-OWSLCNJRSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110019448 931121053 /nfs/dbraw/zinc/12/10/53/931121053.db2.gz XYNURSPELABSAP-YVSFHVDLSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110019448 931121060 /nfs/dbraw/zinc/12/10/60/931121060.db2.gz XYNURSPELABSAP-YVSFHVDLSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019448 931121062 /nfs/dbraw/zinc/12/10/62/931121062.db2.gz XYNURSPELABSAP-YVSFHVDLSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019448 931121066 /nfs/dbraw/zinc/12/10/66/931121066.db2.gz XYNURSPELABSAP-YVSFHVDLSA-N 2 1 350.507 1.131 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101428 934267294 /nfs/dbraw/zinc/26/72/94/934267294.db2.gz OOVRCAAYEWNJNI-MHORFTMASA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101428 934267301 /nfs/dbraw/zinc/26/73/01/934267301.db2.gz OOVRCAAYEWNJNI-MHORFTMASA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101428 934267312 /nfs/dbraw/zinc/26/73/12/934267312.db2.gz OOVRCAAYEWNJNI-MHORFTMASA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101428 934267318 /nfs/dbraw/zinc/26/73/18/934267318.db2.gz OOVRCAAYEWNJNI-MHORFTMASA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685027 938484774 /nfs/dbraw/zinc/48/47/74/938484774.db2.gz LTBWPFYMCIYCHT-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123149 938705030 /nfs/dbraw/zinc/70/50/30/938705030.db2.gz IUJSCYPRKDFWQA-KSZLIROESA-N 2 1 362.522 1.542 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622127 939920902 /nfs/dbraw/zinc/92/09/02/939920902.db2.gz RDGWGQGLUBEHBZ-DFQSSKMNSA-N 2 1 371.529 1.448 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130626331 939924068 /nfs/dbraw/zinc/92/40/68/939924068.db2.gz JEOZUTLMPVHFKC-HHXXYDBFSA-N 2 1 370.501 1.864 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672370 939971436 /nfs/dbraw/zinc/97/14/36/939971436.db2.gz OTYMTQOBZRFIMH-ZIFCJYIRSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687610 939977408 /nfs/dbraw/zinc/97/74/08/939977408.db2.gz ITRKQUHVLIVPKM-FUHWJXTLSA-N 2 1 368.485 1.348 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130695098 939989723 /nfs/dbraw/zinc/98/97/23/939989723.db2.gz DMICDSLAOIIXNU-PKOBYXMFSA-N 2 1 370.501 1.866 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994213 940416670 /nfs/dbraw/zinc/41/66/70/940416670.db2.gz NFDJEENXRQOJER-BSDSXHPESA-N 2 1 357.502 1.058 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070110 940484249 /nfs/dbraw/zinc/48/42/49/940484249.db2.gz GCOGBIWMOUTHFI-KZNAEPCWSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCF)CC1 ZINC001131515330 940679794 /nfs/dbraw/zinc/67/97/94/940679794.db2.gz DGFLIGDKAJBVCD-QYZOEREBSA-N 2 1 365.493 1.429 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCF)CC1 ZINC001131515330 940679797 /nfs/dbraw/zinc/67/97/97/940679797.db2.gz DGFLIGDKAJBVCD-QYZOEREBSA-N 2 1 365.493 1.429 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001086732160 942012539 /nfs/dbraw/zinc/01/25/39/942012539.db2.gz YJVSYNHSIRDMRL-XWPNQZOQSA-N 2 1 370.497 1.652 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001086732160 942012545 /nfs/dbraw/zinc/01/25/45/942012545.db2.gz YJVSYNHSIRDMRL-XWPNQZOQSA-N 2 1 370.497 1.652 20 30 FDEDMP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N1CCN(c2ncccn2)CC1 ZINC000114067132 971021827 /nfs/dbraw/zinc/02/18/27/971021827.db2.gz JEDBHNIZOXPWCF-KRWDZBQOSA-N 2 1 359.522 1.439 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709957 971228914 /nfs/dbraw/zinc/22/89/14/971228914.db2.gz SIDMOWMHANNETN-TVFCKZIOSA-N 2 1 374.529 1.275 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709957 971228923 /nfs/dbraw/zinc/22/89/23/971228923.db2.gz SIDMOWMHANNETN-TVFCKZIOSA-N 2 1 374.529 1.275 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196185308 971497600 /nfs/dbraw/zinc/49/76/00/971497600.db2.gz USNJCLIVTOTUEU-PWIZWCRZSA-N 2 1 359.514 1.920 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091543987 951982627 /nfs/dbraw/zinc/98/26/27/951982627.db2.gz SXXMARVDZDGZGR-DYXWJJEUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091543987 951982628 /nfs/dbraw/zinc/98/26/28/951982628.db2.gz SXXMARVDZDGZGR-DYXWJJEUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@]2(C)C1 ZINC001091543987 951982634 /nfs/dbraw/zinc/98/26/34/951982634.db2.gz SXXMARVDZDGZGR-DYXWJJEUSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679817 952624286 /nfs/dbraw/zinc/62/42/86/952624286.db2.gz MZFJDLUUYCKVCQ-JBPLPALLSA-N 2 1 373.541 1.537 20 30 FDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679686 952624316 /nfs/dbraw/zinc/62/43/16/952624316.db2.gz JZPCWZPELHZVLN-JBPLPALLSA-N 2 1 373.541 1.537 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@]2(C)C1 ZINC001091737018 952764534 /nfs/dbraw/zinc/76/45/34/952764534.db2.gz HDADDYGOGYOEEW-NUJGCVRESA-N 2 1 365.909 1.346 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)N(C)C)C[C@]2(C)C1 ZINC001091737018 952764536 /nfs/dbraw/zinc/76/45/36/952764536.db2.gz HDADDYGOGYOEEW-NUJGCVRESA-N 2 1 365.909 1.346 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091749599 952789215 /nfs/dbraw/zinc/78/92/15/952789215.db2.gz NQRRFDBILJPVHV-AOIWGVFYSA-N 2 1 365.468 1.910 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091749599 952789219 /nfs/dbraw/zinc/78/92/19/952789219.db2.gz NQRRFDBILJPVHV-AOIWGVFYSA-N 2 1 365.468 1.910 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091749599 952789223 /nfs/dbraw/zinc/78/92/23/952789223.db2.gz NQRRFDBILJPVHV-AOIWGVFYSA-N 2 1 365.468 1.910 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CC(F)(F)C3)C[C@@]2(C)C1 ZINC001091749599 952789225 /nfs/dbraw/zinc/78/92/25/952789225.db2.gz NQRRFDBILJPVHV-AOIWGVFYSA-N 2 1 365.468 1.910 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1c1cnn(C)c1 ZINC001086979782 952993526 /nfs/dbraw/zinc/99/35/26/952993526.db2.gz RNBFUDWIUGVNRE-RYQLBKOJSA-N 2 1 370.501 1.900 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ncc(C)o4)C[C@@]3(C)C2)CC1 ZINC001092300262 954749105 /nfs/dbraw/zinc/74/91/05/954749105.db2.gz UKICVDOCLKHOEX-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ncc(C)o4)C[C@@]3(C)C2)CC1 ZINC001092300262 954749115 /nfs/dbraw/zinc/74/91/15/954749115.db2.gz UKICVDOCLKHOEX-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195430 957758327 /nfs/dbraw/zinc/75/83/27/957758327.db2.gz QXMDRSBBWWVDAA-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195430 957758331 /nfs/dbraw/zinc/75/83/31/957758331.db2.gz QXMDRSBBWWVDAA-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195430 957758339 /nfs/dbraw/zinc/75/83/39/957758339.db2.gz QXMDRSBBWWVDAA-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2C)CC1 ZINC001093224421 957855858 /nfs/dbraw/zinc/85/58/58/957855858.db2.gz VTNKDVXPFDIARZ-GDBMZVCRSA-N 2 1 359.436 1.968 20 30 FDEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001093373970 958015724 /nfs/dbraw/zinc/01/57/24/958015724.db2.gz WHJJGWYIULVZTF-BHIYHBOVSA-N 2 1 361.530 1.985 20 30 FDEDMP C=CC[NH+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001093373970 958015736 /nfs/dbraw/zinc/01/57/36/958015736.db2.gz WHJJGWYIULVZTF-BHIYHBOVSA-N 2 1 361.530 1.985 20 30 FDEDMP C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093373970 958015752 /nfs/dbraw/zinc/01/57/52/958015752.db2.gz WHJJGWYIULVZTF-BHIYHBOVSA-N 2 1 361.530 1.985 20 30 FDEDMP C=CC[N@H+]1CC2(CCC2)[C@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093373970 958015766 /nfs/dbraw/zinc/01/57/66/958015766.db2.gz WHJJGWYIULVZTF-BHIYHBOVSA-N 2 1 361.530 1.985 20 30 FDEDMP C[C@@H](CCCC#N)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001172498740 961688050 /nfs/dbraw/zinc/68/80/50/961688050.db2.gz NPDLSKRGFNFWLT-KRWDZBQOSA-N 2 1 350.507 1.571 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189152013 966798281 /nfs/dbraw/zinc/79/82/81/966798281.db2.gz XRNOORZXLIXHGL-OKZBNKHCSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189152013 966798284 /nfs/dbraw/zinc/79/82/84/966798284.db2.gz XRNOORZXLIXHGL-OKZBNKHCSA-N 2 1 362.518 1.060 20 30 FDEDMP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001199023716 973804936 /nfs/dbraw/zinc/80/49/36/973804936.db2.gz NVWALAHDILGJMA-RTBURBONSA-N 2 1 356.470 1.096 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+]3CCCC3)C2)c1 ZINC001199023716 973804946 /nfs/dbraw/zinc/80/49/46/973804946.db2.gz NVWALAHDILGJMA-RTBURBONSA-N 2 1 356.470 1.096 20 30 FDEDMP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001199071341 973889440 /nfs/dbraw/zinc/88/94/40/973889440.db2.gz RWMNAGDDGDRCLO-RTBURBONSA-N 2 1 356.470 1.096 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)c1 ZINC001199071341 973889450 /nfs/dbraw/zinc/88/94/50/973889450.db2.gz RWMNAGDDGDRCLO-RTBURBONSA-N 2 1 356.470 1.096 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC#Cc3ccccc3)C2)CC[N@H+]1C ZINC001200537547 974812398 /nfs/dbraw/zinc/81/23/98/974812398.db2.gz PRKSJGAMOFMPRD-HMXCVIKNSA-N 2 1 369.509 1.585 20 30 FDEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786219 974905771 /nfs/dbraw/zinc/90/57/71/974905771.db2.gz CYQZGDPUBMICMQ-GUDVDZBRSA-N 2 1 369.550 1.883 20 30 FDEDMP CCCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786219 974905774 /nfs/dbraw/zinc/90/57/74/974905774.db2.gz CYQZGDPUBMICMQ-GUDVDZBRSA-N 2 1 369.550 1.883 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000884221972 982996184 /nfs/dbraw/zinc/99/61/84/982996184.db2.gz FAXQCEJUEITUNG-KYBDOYODSA-N 2 1 352.482 1.907 20 30 FDEDMP Cc1cc(N2CCC(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)nc(C)[nH+]1 ZINC000884230035 983004044 /nfs/dbraw/zinc/00/40/44/983004044.db2.gz HJSIQHPMXSHVFU-LFDOHDQPSA-N 2 1 368.485 1.318 20 30 FDEDMP CN1CC[NH+](Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)cc2)CC1 ZINC000884234162 983008028 /nfs/dbraw/zinc/00/80/28/983008028.db2.gz JZFQLKHVCTYHCB-WBTXTPOCSA-N 2 1 367.497 1.512 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000296610066 989325304 /nfs/dbraw/zinc/32/53/04/989325304.db2.gz XCIBANPNDGLDRM-KRWDZBQOSA-N 2 1 357.502 1.861 20 30 FDEDMP CCCCCCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000875215459 991097928 /nfs/dbraw/zinc/09/79/28/991097928.db2.gz WUVYGHXCJGEVHX-MRXNPFEDSA-N 2 1 352.523 1.358 20 30 FDEDMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)C1CC1 ZINC000372840347 991584370 /nfs/dbraw/zinc/58/43/70/991584370.db2.gz KBVXIBCTDRJUOK-KRWDZBQOSA-N 2 1 357.502 1.839 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000876779760 992905377 /nfs/dbraw/zinc/90/53/77/992905377.db2.gz MHXDIVHJEHDVEB-KBPBESRZSA-N 2 1 356.923 1.623 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877229445 993121979 /nfs/dbraw/zinc/12/19/79/993121979.db2.gz MONHOXMAHCVHSI-IRXDYDNUSA-N 2 1 351.878 1.782 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877229445 993121985 /nfs/dbraw/zinc/12/19/85/993121985.db2.gz MONHOXMAHCVHSI-IRXDYDNUSA-N 2 1 351.878 1.782 20 30 FDEDMP N#Cc1cc(C[NH+]2CCC[C@H](CO)C2)cc(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000877935493 993561330 /nfs/dbraw/zinc/56/13/30/993561330.db2.gz NWMYJOMABCJREC-ROUUACIJSA-N 2 1 357.498 1.967 20 30 FDEDMP C#CCNC(=O)C1CC[NH+](C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878018953 993615327 /nfs/dbraw/zinc/61/53/27/993615327.db2.gz OJOJLZWWMTWDQZ-OAQYLSRUSA-N 2 1 355.482 1.085 20 30 FDEDMP C#CCNC(=O)C1CC[NH+](C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878018953 993615333 /nfs/dbraw/zinc/61/53/33/993615333.db2.gz OJOJLZWWMTWDQZ-OAQYLSRUSA-N 2 1 355.482 1.085 20 30 FDEDMP CCNC(=O)COc1cccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264095971 997401737 /nfs/dbraw/zinc/40/17/37/997401737.db2.gz MQDRVVDJZLFQRQ-MRXNPFEDSA-N 2 1 361.490 1.090 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143488 997412803 /nfs/dbraw/zinc/41/28/03/997412803.db2.gz XDKLQNWJRKKMNB-IAGOWNOFSA-N 2 1 363.506 1.350 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000890363096 998913785 /nfs/dbraw/zinc/91/37/85/998913785.db2.gz KICWQPLQKKJRRE-VQTJNVASSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000890363096 998913786 /nfs/dbraw/zinc/91/37/86/998913786.db2.gz KICWQPLQKKJRRE-VQTJNVASSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000890363096 998913789 /nfs/dbraw/zinc/91/37/89/998913789.db2.gz KICWQPLQKKJRRE-VQTJNVASSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000890363096 998913795 /nfs/dbraw/zinc/91/37/95/998913795.db2.gz KICWQPLQKKJRRE-VQTJNVASSA-N 2 1 370.497 1.150 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001110847142 999028207 /nfs/dbraw/zinc/02/82/07/999028207.db2.gz JNYWQQMTCGEXHJ-NRSPTQNISA-N 2 1 369.509 1.776 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001110847142 999028213 /nfs/dbraw/zinc/02/82/13/999028213.db2.gz JNYWQQMTCGEXHJ-NRSPTQNISA-N 2 1 369.509 1.776 20 30 FDEDMP COCCCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000285002903 999892911 /nfs/dbraw/zinc/89/29/11/999892911.db2.gz ICKUWMKBPAYKBK-UHFFFAOYSA-N 2 1 364.490 1.229 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111275380 1002396319 /nfs/dbraw/zinc/39/63/19/1002396319.db2.gz UNOMVFWOWPPQEE-MANSERQUSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001111275380 1002396331 /nfs/dbraw/zinc/39/63/31/1002396331.db2.gz UNOMVFWOWPPQEE-MANSERQUSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111275380 1002396340 /nfs/dbraw/zinc/39/63/40/1002396340.db2.gz UNOMVFWOWPPQEE-MANSERQUSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001111275380 1002396347 /nfs/dbraw/zinc/39/63/47/1002396347.db2.gz UNOMVFWOWPPQEE-MANSERQUSA-N 2 1 374.529 1.250 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979756 1002742736 /nfs/dbraw/zinc/74/27/36/1002742736.db2.gz BVPNIUDYAMZBPP-MLHJIOFPSA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979756 1002742745 /nfs/dbraw/zinc/74/27/45/1002742745.db2.gz BVPNIUDYAMZBPP-MLHJIOFPSA-N 2 1 364.534 1.473 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)CC[N@H+]1C ZINC000959974841 1009239106 /nfs/dbraw/zinc/23/91/06/1009239106.db2.gz QSQWJTAVGHTHBQ-SBUWESJJSA-N 2 1 368.481 1.476 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)CC[NH+]1C ZINC000959974841 1009239113 /nfs/dbraw/zinc/23/91/13/1009239113.db2.gz QSQWJTAVGHTHBQ-SBUWESJJSA-N 2 1 368.481 1.476 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)CC[NH+]1C ZINC000959974841 1009239123 /nfs/dbraw/zinc/23/91/23/1009239123.db2.gz QSQWJTAVGHTHBQ-SBUWESJJSA-N 2 1 368.481 1.476 20 30 FDEDMP CCOCCCNC(=[NH2+])NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000303882389 1009670757 /nfs/dbraw/zinc/67/07/57/1009670757.db2.gz HZTLHPHEUGAYAG-IBGZPJMESA-N 2 1 361.534 1.696 20 30 FDEDMP CCOCCCNC(=[NH2+])NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000303882389 1009670769 /nfs/dbraw/zinc/67/07/69/1009670769.db2.gz HZTLHPHEUGAYAG-IBGZPJMESA-N 2 1 361.534 1.696 20 30 FDEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000961378993 1012305795 /nfs/dbraw/zinc/30/57/95/1012305795.db2.gz PLWNRVFSQSQSFS-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000961378993 1012305809 /nfs/dbraw/zinc/30/58/09/1012305809.db2.gz PLWNRVFSQSQSFS-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000961378993 1012305825 /nfs/dbraw/zinc/30/58/25/1012305825.db2.gz PLWNRVFSQSQSFS-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000961378993 1012305829 /nfs/dbraw/zinc/30/58/29/1012305829.db2.gz PLWNRVFSQSQSFS-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CCN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC000192756891 178131443 /nfs/dbraw/zinc/13/14/43/178131443.db2.gz CWMRLBGCIHBGTF-GOSISDBHSA-N 2 1 371.533 1.275 20 30 FDEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000245432181 178357524 /nfs/dbraw/zinc/35/75/24/178357524.db2.gz OLUGFMUUDAVAHM-VQTJNVASSA-N 2 1 372.513 1.400 20 30 FDEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000245432181 178357525 /nfs/dbraw/zinc/35/75/25/178357525.db2.gz OLUGFMUUDAVAHM-VQTJNVASSA-N 2 1 372.513 1.400 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933195 540661690 /nfs/dbraw/zinc/66/16/90/540661690.db2.gz NILMWOVFPCSWHZ-IXDOHACOSA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933195 540661693 /nfs/dbraw/zinc/66/16/93/540661693.db2.gz NILMWOVFPCSWHZ-IXDOHACOSA-N 2 1 353.507 1.267 20 30 FDEDMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000152388842 524870223 /nfs/dbraw/zinc/87/02/23/524870223.db2.gz IIMRVSBEAFYKQS-QFBILLFUSA-N 2 1 373.501 1.351 20 30 FDEDMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000152388842 524870233 /nfs/dbraw/zinc/87/02/33/524870233.db2.gz IIMRVSBEAFYKQS-QFBILLFUSA-N 2 1 373.501 1.351 20 30 FDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)N1CCc2sccc2C1 ZINC000104173546 525398634 /nfs/dbraw/zinc/39/86/34/525398634.db2.gz QGFGEBOVXFHMPM-OAHLLOKOSA-N 2 1 365.547 1.121 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000293446983 537465776 /nfs/dbraw/zinc/46/57/76/537465776.db2.gz PWCZDEIPJRNCLW-UHFFFAOYSA-N 2 1 355.442 1.738 20 30 FDEDMP Cc1ccc(-c2cnc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)o2)cc1 ZINC000304807760 537598586 /nfs/dbraw/zinc/59/85/86/537598586.db2.gz UATUPVBVBSCQCL-UHFFFAOYSA-N 2 1 357.458 1.777 20 30 FDEDMP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000329924401 537647005 /nfs/dbraw/zinc/64/70/05/537647005.db2.gz UZYULXWDADWLQG-ZOBUZTSGSA-N 2 1 364.469 1.073 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000458348278 538589558 /nfs/dbraw/zinc/58/95/58/538589558.db2.gz YRKCXMVIBIMYTH-DFNIBXOVSA-N 2 1 364.534 1.920 20 30 FDEDMP C(#CC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21)C[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745560 538695174 /nfs/dbraw/zinc/69/51/74/538695174.db2.gz BXBLYDXSYNBQPO-JVSBHGNQSA-N 2 1 356.510 1.992 20 30 FDEDMP C(#CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C[NH+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459745560 538695185 /nfs/dbraw/zinc/69/51/85/538695185.db2.gz BXBLYDXSYNBQPO-JVSBHGNQSA-N 2 1 356.510 1.992 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000560797883 545607939 /nfs/dbraw/zinc/60/79/39/545607939.db2.gz WSBHFJMVZMJYRY-SFHVURJKSA-N 2 1 364.534 1.524 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000561451042 545856903 /nfs/dbraw/zinc/85/69/03/545856903.db2.gz ZYZZKWVROKOQSJ-DOTOQJQBSA-N 2 1 350.507 1.084 20 30 FDEDMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)c1 ZINC000571277497 549588714 /nfs/dbraw/zinc/58/87/14/549588714.db2.gz VZGMRCFXVFOOPA-UHFFFAOYSA-N 2 1 372.494 1.968 20 30 FDEDMP CN(C)c1nc(N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000575049403 550415739 /nfs/dbraw/zinc/41/57/39/550415739.db2.gz AKNJTUWTBJLORK-UHFFFAOYSA-N 2 1 367.413 1.645 20 30 FDEDMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580183183 550951859 /nfs/dbraw/zinc/95/18/59/550951859.db2.gz WXIRSVUHXYBMOO-INIZCTEOSA-N 2 1 364.515 1.971 20 30 FDEDMP N#CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000583022471 551292563 /nfs/dbraw/zinc/29/25/63/551292563.db2.gz NFZDRHGBPSJUKC-IBGZPJMESA-N 2 1 357.502 1.332 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592150230 551950086 /nfs/dbraw/zinc/95/00/86/551950086.db2.gz BHECAFRRIPLGBL-PMACEKPBSA-N 2 1 354.454 1.388 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@](O)(CC#N)C3)c2)C1 ZINC000592150633 551950741 /nfs/dbraw/zinc/95/07/41/551950741.db2.gz FKNBKDMRGLVXQP-PMACEKPBSA-N 2 1 354.454 1.388 20 30 FDEDMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594438033 552309640 /nfs/dbraw/zinc/30/96/40/552309640.db2.gz MIAVYUMLDVXBQK-SFHVURJKSA-N 2 1 371.485 1.814 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000595257032 552506325 /nfs/dbraw/zinc/50/63/25/552506325.db2.gz HFGBPMQKEFDDAY-LJQANCHMSA-N 2 1 369.513 1.869 20 30 FDEDMP C=C(C)C[C@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000602599086 553610400 /nfs/dbraw/zinc/61/04/00/553610400.db2.gz GPAPIQWAEDWRPU-SFHVURJKSA-N 2 1 373.497 1.994 20 30 FDEDMP CN(CC[N@@H+](C)C[C@@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](C)CC1 ZINC000611373743 554629563 /nfs/dbraw/zinc/62/95/63/554629563.db2.gz QJBYFIPNWGYKEO-HXUWFJFHSA-N 2 1 374.529 1.450 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000278390200 675131750 /nfs/dbraw/zinc/13/17/50/675131750.db2.gz IVXHPKLFHYWZIT-HNNXBMFYSA-N 2 1 358.845 1.139 20 30 FDEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@@H+]2CCCOCC2)c1 ZINC000187856894 672287586 /nfs/dbraw/zinc/28/75/86/672287586.db2.gz ONWYHEFBTGBLTP-UHFFFAOYSA-N 2 1 350.463 1.933 20 30 FDEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC[N@H+]2CCCOCC2)c1 ZINC000187856894 672287590 /nfs/dbraw/zinc/28/75/90/672287590.db2.gz ONWYHEFBTGBLTP-UHFFFAOYSA-N 2 1 350.463 1.933 20 30 FDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261766215 672667995 /nfs/dbraw/zinc/66/79/95/672667995.db2.gz OSGVHNJBDIJEOT-AEFFLSMTSA-N 2 1 352.523 1.157 20 30 FDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262013266 672711743 /nfs/dbraw/zinc/71/17/43/672711743.db2.gz XCIZCZBIAPWPRB-CQSZACIVSA-N 2 1 361.881 1.684 20 30 FDEDMP C[NH+]=C(NC[C@H]1CCCO1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262379421 672779803 /nfs/dbraw/zinc/77/98/03/672779803.db2.gz KDUHLUVERMMOBN-QGZVFWFLSA-N 2 1 351.539 1.281 20 30 FDEDMP N#CCCCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264552339 672917725 /nfs/dbraw/zinc/91/77/25/672917725.db2.gz JITVLLFKTRXIOY-UHFFFAOYSA-N 2 1 365.503 1.207 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1nc(C(F)(F)F)cs1 ZINC000267385094 673299074 /nfs/dbraw/zinc/29/90/74/673299074.db2.gz BIRXIKYXJZKFJG-UHFFFAOYSA-N 2 1 351.398 1.289 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc(C(F)(F)F)cn1 ZINC000305093996 676544869 /nfs/dbraw/zinc/54/48/69/676544869.db2.gz QYVIUUBAHNXMII-CYBMUJFWSA-N 2 1 359.396 1.868 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472615 676868453 /nfs/dbraw/zinc/86/84/53/676868453.db2.gz LTKWTTUYLDRSCD-MJGOQNOKSA-N 2 1 350.551 1.900 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266888 678501076 /nfs/dbraw/zinc/50/10/76/678501076.db2.gz MWZIPZZOTWQTAK-KRWDZBQOSA-N 2 1 350.551 1.805 20 30 FDEDMP C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1OC ZINC000415048521 679378570 /nfs/dbraw/zinc/37/85/70/679378570.db2.gz CGAMQXZLBMFCMS-LBPRGKRZSA-N 2 1 359.264 1.774 20 30 FDEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1OC ZINC000415048521 679378574 /nfs/dbraw/zinc/37/85/74/679378574.db2.gz CGAMQXZLBMFCMS-LBPRGKRZSA-N 2 1 359.264 1.774 20 30 FDEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347430 680434296 /nfs/dbraw/zinc/43/42/96/680434296.db2.gz GQFIWUAAMBIMTG-SJORKVTESA-N 2 1 362.543 1.631 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969705202 770694421 /nfs/dbraw/zinc/69/44/21/770694421.db2.gz UNKNKQZVYOWVRW-QMTMVMCOSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969705202 770694441 /nfs/dbraw/zinc/69/44/41/770694441.db2.gz UNKNKQZVYOWVRW-QMTMVMCOSA-N 2 1 370.497 1.844 20 30 FDEDMP C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C1CN(CC#Cc2ccccc2)C1 ZINC000969956788 771124953 /nfs/dbraw/zinc/12/49/53/771124953.db2.gz ABWMEAISNZTOAU-MBOZVWFJSA-N 2 1 355.482 1.194 20 30 FDEDMP C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C1CN(CC#Cc2ccccc2)C1 ZINC000969956788 771124954 /nfs/dbraw/zinc/12/49/54/771124954.db2.gz ABWMEAISNZTOAU-MBOZVWFJSA-N 2 1 355.482 1.194 20 30 FDEDMP C=C(C)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481957 772043567 /nfs/dbraw/zinc/04/35/67/772043567.db2.gz ZIYJXTAPGXXLEO-KBGGIIEESA-N 2 1 359.514 1.644 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310784 774562220 /nfs/dbraw/zinc/56/22/20/774562220.db2.gz IKLODHZJGOBGII-KZNAEPCWSA-N 2 1 364.534 1.237 20 30 FDEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)C1 ZINC001104573280 788194931 /nfs/dbraw/zinc/19/49/31/788194931.db2.gz PCCFTEGYHSYIPH-VAMGGRTRSA-N 2 1 363.546 1.832 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN(C)Cc2ccccc2)C1 ZINC001112021660 789667867 /nfs/dbraw/zinc/66/78/67/789667867.db2.gz ZMIWPDBNTZBZID-UNMCSNQZSA-N 2 1 369.509 1.739 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3ccccc3C#N)CC2)O1 ZINC001026514533 795488259 /nfs/dbraw/zinc/48/82/59/795488259.db2.gz IRMSGWUCVVOQER-BTWUCOSQSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3ccccc3C#N)CC2)O1 ZINC001026514533 795488265 /nfs/dbraw/zinc/48/82/65/795488265.db2.gz IRMSGWUCVVOQER-BTWUCOSQSA-N 2 1 370.497 1.794 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291530 796142282 /nfs/dbraw/zinc/14/22/82/796142282.db2.gz WIECPWQNCRDBPQ-IBGZPJMESA-N 2 1 359.518 1.006 20 30 FDEDMP CN(CCC#N)C(=O)CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511872090 801346608 /nfs/dbraw/zinc/34/66/08/801346608.db2.gz LBEDQOFMUQRMEI-UHFFFAOYSA-N 2 1 371.529 1.498 20 30 FDEDMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978180891 805261363 /nfs/dbraw/zinc/26/13/63/805261363.db2.gz OZNNYBXMLUAESJ-UEDWAMCQSA-N 2 1 361.530 1.603 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726267 809404705 /nfs/dbraw/zinc/40/47/05/809404705.db2.gz SWRORGASOIUBOC-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726267 809404709 /nfs/dbraw/zinc/40/47/09/809404709.db2.gz SWRORGASOIUBOC-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C[C@H]1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000332923475 809946335 /nfs/dbraw/zinc/94/63/35/809946335.db2.gz GAABRIMPJQEDTI-LPHOPBHVSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC001028549847 810619211 /nfs/dbraw/zinc/61/92/11/810619211.db2.gz BQMRMOOUXQZEQT-YVWKXTFCSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C2)CC[N@H+]1C ZINC001028549943 810619514 /nfs/dbraw/zinc/61/95/14/810619514.db2.gz CMUNLUUIZQKFJP-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261955206 811352435 /nfs/dbraw/zinc/35/24/35/811352435.db2.gz IOEQHOSWVGTPSR-KRWDZBQOSA-N 2 1 369.517 1.330 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367030672 814258459 /nfs/dbraw/zinc/25/84/59/814258459.db2.gz ROSTWVFPHCZCOI-XLIONFOSSA-N 2 1 369.513 1.845 20 30 FDEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000515838465 816468599 /nfs/dbraw/zinc/46/85/99/816468599.db2.gz XSIAZYUBWFUNPW-SFHVURJKSA-N 2 1 369.469 1.933 20 30 FDEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)N(C)Cc1cccn1C ZINC000261976765 817884804 /nfs/dbraw/zinc/88/48/04/817884804.db2.gz NWXLEVLKSZENBJ-UHFFFAOYSA-N 2 1 369.517 1.379 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001087847347 822582516 /nfs/dbraw/zinc/58/25/16/822582516.db2.gz IFXIJPWSCRATEP-RBUKOAKNSA-N 2 1 367.453 1.955 20 30 FDEDMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000895594309 822666858 /nfs/dbraw/zinc/66/68/58/822666858.db2.gz NXCDMAGUKAEMJV-ICSRJNTNSA-N 2 1 367.497 1.868 20 30 FDEDMP C[N@H+]1C[C@@H]2CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)[C@@H]2C1 ZINC000895594308 822666993 /nfs/dbraw/zinc/66/69/93/822666993.db2.gz NXCDMAGUKAEMJV-AZUAARDMSA-N 2 1 367.497 1.868 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCn3ccnc3C2)C[C@H](C)O1 ZINC000330267900 825782864 /nfs/dbraw/zinc/78/28/64/825782864.db2.gz IIVOXOYNFJQIPW-TWMKSMIVSA-N 2 1 361.490 1.686 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)N[C@@H]2CCn3ccnc3C2)C[C@H](C)O1 ZINC000330267900 825782867 /nfs/dbraw/zinc/78/28/67/825782867.db2.gz IIVOXOYNFJQIPW-TWMKSMIVSA-N 2 1 361.490 1.686 20 30 FDEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000330298681 825826816 /nfs/dbraw/zinc/82/68/16/825826816.db2.gz LUZAVZBPTQDCGK-QGZVFWFLSA-N 2 1 361.490 1.989 20 30 FDEDMP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000330298681 825826825 /nfs/dbraw/zinc/82/68/25/825826825.db2.gz LUZAVZBPTQDCGK-QGZVFWFLSA-N 2 1 361.490 1.989 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)cc1 ZINC001088172014 827242454 /nfs/dbraw/zinc/24/24/54/827242454.db2.gz RAMXDVIRQGPFFT-UXHICEINSA-N 2 1 364.493 1.934 20 30 FDEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCCC[C@H]1C)N1CCN(c2ncccn2)CC1 ZINC000262533779 827994436 /nfs/dbraw/zinc/99/44/36/827994436.db2.gz IZFNGMKGRFNWTI-MSOLQXFVSA-N 2 1 373.549 1.827 20 30 FDEDMP C#CCC[NH+]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000272055589 838428340 /nfs/dbraw/zinc/42/83/40/838428340.db2.gz VORQVBNBFNTWMR-UHFFFAOYSA-N 2 1 368.525 1.540 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105670254 844368609 /nfs/dbraw/zinc/36/86/09/844368609.db2.gz YSDFRDUHZYKFLC-LFGUQSLTSA-N 2 1 358.486 1.181 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2c(C)cccc2C)C[C@@H]1O ZINC001083535210 846913565 /nfs/dbraw/zinc/91/35/65/846913565.db2.gz GJYCVVISNUHTHU-AABGKKOBSA-N 2 1 355.482 1.062 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076242465 847664498 /nfs/dbraw/zinc/66/44/98/847664498.db2.gz GENSSUKBTYPKFN-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076242465 847664502 /nfs/dbraw/zinc/66/45/02/847664502.db2.gz GENSSUKBTYPKFN-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076242465 847664508 /nfs/dbraw/zinc/66/45/08/847664508.db2.gz GENSSUKBTYPKFN-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC001088983385 865911746 /nfs/dbraw/zinc/91/17/46/865911746.db2.gz UOWMNPWSKNOGSO-APWZRJJASA-N 2 1 355.457 1.852 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC001088983385 865911751 /nfs/dbraw/zinc/91/17/51/865911751.db2.gz UOWMNPWSKNOGSO-APWZRJJASA-N 2 1 355.457 1.852 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3ccns3)[C@@H]2C)CC1 ZINC001089059756 866388309 /nfs/dbraw/zinc/38/83/09/866388309.db2.gz ZOQAPOSSQASAEJ-QAPCUYQASA-N 2 1 360.527 1.610 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#Cc3ccccc3)[C@@H]2C)CC1 ZINC001089059844 866389105 /nfs/dbraw/zinc/38/91/05/866389105.db2.gz DZKXUGXMBSKHKI-KNQAVFIVSA-N 2 1 363.505 1.962 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C[C@H]1C ZINC001106342878 874849642 /nfs/dbraw/zinc/84/96/42/874849642.db2.gz HKSJLNSQVHDCFL-DJIMGWMZSA-N 2 1 360.502 1.710 20 30 FDEDMP C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001034324301 884195286 /nfs/dbraw/zinc/19/52/86/884195286.db2.gz UGLSGWHJAWUGRL-KURKYZTESA-N 2 1 351.491 1.023 20 30 FDEDMP Cn1ccnc1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923342544 888961159 /nfs/dbraw/zinc/96/11/59/888961159.db2.gz PGLVXANDIIXIRA-OALUTQOASA-N 2 1 365.481 1.969 20 30 FDEDMP Cn1ccnc1C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923342544 888961166 /nfs/dbraw/zinc/96/11/66/888961166.db2.gz PGLVXANDIIXIRA-OALUTQOASA-N 2 1 365.481 1.969 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3=CCCCC3)C[C@@H]2O)CC1 ZINC001084090285 913372518 /nfs/dbraw/zinc/37/25/18/913372518.db2.gz SJRHDWXZHGUFFL-UXHICEINSA-N 2 1 359.514 1.383 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923555283 889771993 /nfs/dbraw/zinc/77/19/93/889771993.db2.gz UHCGAOOWEQYGFJ-HOTGVXAUSA-N 2 1 366.506 1.045 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923555283 889772004 /nfs/dbraw/zinc/77/20/04/889772004.db2.gz UHCGAOOWEQYGFJ-HOTGVXAUSA-N 2 1 366.506 1.045 20 30 FDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944264 896420365 /nfs/dbraw/zinc/42/03/65/896420365.db2.gz ASHBHKMRKMDHKB-KZNAEPCWSA-N 2 1 365.518 1.269 20 30 FDEDMP C=C(C)C[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944264 896420370 /nfs/dbraw/zinc/42/03/70/896420370.db2.gz ASHBHKMRKMDHKB-KZNAEPCWSA-N 2 1 365.518 1.269 20 30 FDEDMP C=C(C)C[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944264 896420375 /nfs/dbraw/zinc/42/03/75/896420375.db2.gz ASHBHKMRKMDHKB-KZNAEPCWSA-N 2 1 365.518 1.269 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944264 896420380 /nfs/dbraw/zinc/42/03/80/896420380.db2.gz ASHBHKMRKMDHKB-KZNAEPCWSA-N 2 1 365.518 1.269 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079146928 901970066 /nfs/dbraw/zinc/97/00/66/901970066.db2.gz OQVYVBKQOYRCMM-NJDAHSKKSA-N 2 1 371.525 1.978 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079146928 901970072 /nfs/dbraw/zinc/97/00/72/901970072.db2.gz OQVYVBKQOYRCMM-NJDAHSKKSA-N 2 1 371.525 1.978 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079146928 901970077 /nfs/dbraw/zinc/97/00/77/901970077.db2.gz OQVYVBKQOYRCMM-NJDAHSKKSA-N 2 1 371.525 1.978 20 30 FDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCc4[nH+]ccn43)[C@@H]3COC[C@@H]32)CC1 ZINC001079245885 902255307 /nfs/dbraw/zinc/25/53/07/902255307.db2.gz LCYOQVBDOVTUTP-OKZBNKHCSA-N 2 1 370.497 1.886 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107409205 904769448 /nfs/dbraw/zinc/76/94/48/904769448.db2.gz LBRUMKIPEYEWLE-SFHLNBCPSA-N 2 1 359.514 1.339 20 30 FDEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107410474 904775707 /nfs/dbraw/zinc/77/57/07/904775707.db2.gz FKCVZPSGIZRGBJ-SFHLNBCPSA-N 2 1 361.530 1.892 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)CC[N@H+]1C ZINC000996775569 905311358 /nfs/dbraw/zinc/31/13/58/905311358.db2.gz GKNNZLFSVQSOII-WZOJCFFYSA-N 2 1 361.534 1.285 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001080781266 906253555 /nfs/dbraw/zinc/25/35/55/906253555.db2.gz TVGCSZOYFXOEQB-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)C2)cc1C#N ZINC001080781266 906253569 /nfs/dbraw/zinc/25/35/69/906253569.db2.gz TVGCSZOYFXOEQB-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001080781266 906253588 /nfs/dbraw/zinc/25/35/88/906253588.db2.gz TVGCSZOYFXOEQB-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107646291 906260768 /nfs/dbraw/zinc/26/07/68/906260768.db2.gz GLMMNOSJHLSLGY-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107646291 906260786 /nfs/dbraw/zinc/26/07/86/906260786.db2.gz GLMMNOSJHLSLGY-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107646291 906260801 /nfs/dbraw/zinc/26/08/01/906260801.db2.gz GLMMNOSJHLSLGY-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001080935515 906727845 /nfs/dbraw/zinc/72/78/45/906727845.db2.gz XQCFVBXHPASOME-SZVBFZGTSA-N 2 1 356.470 1.477 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001080935515 906727859 /nfs/dbraw/zinc/72/78/59/906727859.db2.gz XQCFVBXHPASOME-SZVBFZGTSA-N 2 1 356.470 1.477 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001080935515 906727873 /nfs/dbraw/zinc/72/78/73/906727873.db2.gz XQCFVBXHPASOME-SZVBFZGTSA-N 2 1 356.470 1.477 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1ccccc1 ZINC001081179842 907352728 /nfs/dbraw/zinc/35/27/28/907352728.db2.gz NDJXEMGMWSFEHZ-HLAWJBBLSA-N 2 1 362.477 1.971 20 30 FDEDMP C=CCOCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107952586 908395842 /nfs/dbraw/zinc/39/58/42/908395842.db2.gz HTTYVJXSNDRPBN-YQVWRLOYSA-N 2 1 353.507 1.126 20 30 FDEDMP C=CCOCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107952586 908395859 /nfs/dbraw/zinc/39/58/59/908395859.db2.gz HTTYVJXSNDRPBN-YQVWRLOYSA-N 2 1 353.507 1.126 20 30 FDEDMP C=CCOCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952586 908395874 /nfs/dbraw/zinc/39/58/74/908395874.db2.gz HTTYVJXSNDRPBN-YQVWRLOYSA-N 2 1 353.507 1.126 20 30 FDEDMP C=CCOCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952586 908395892 /nfs/dbraw/zinc/39/58/92/908395892.db2.gz HTTYVJXSNDRPBN-YQVWRLOYSA-N 2 1 353.507 1.126 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)C1 ZINC001082742038 909943703 /nfs/dbraw/zinc/94/37/03/909943703.db2.gz OHHNTDIALMKBRV-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](OC)C1 ZINC001212403578 911185564 /nfs/dbraw/zinc/18/55/64/911185564.db2.gz NKIMXCWSEJXYNL-RCCFBDPRSA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](OC)C1 ZINC001212403578 911185568 /nfs/dbraw/zinc/18/55/68/911185568.db2.gz NKIMXCWSEJXYNL-RCCFBDPRSA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)[C@H](OC)C1 ZINC001212403578 911185577 /nfs/dbraw/zinc/18/55/77/911185577.db2.gz NKIMXCWSEJXYNL-RCCFBDPRSA-N 2 1 353.507 1.267 20 30 FDEDMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084661977 915955457 /nfs/dbraw/zinc/95/54/57/915955457.db2.gz QBFFTCBFQQPNKG-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084661977 915955462 /nfs/dbraw/zinc/95/54/62/915955462.db2.gz QBFFTCBFQQPNKG-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084661977 915955467 /nfs/dbraw/zinc/95/54/67/915955467.db2.gz QBFFTCBFQQPNKG-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084661977 915955471 /nfs/dbraw/zinc/95/54/71/915955471.db2.gz QBFFTCBFQQPNKG-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946586 918662025 /nfs/dbraw/zinc/66/20/25/918662025.db2.gz YXKHCCWDKDNXMR-LZQZEXGQSA-N 2 1 355.486 1.736 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946586 918662032 /nfs/dbraw/zinc/66/20/32/918662032.db2.gz YXKHCCWDKDNXMR-LZQZEXGQSA-N 2 1 355.486 1.736 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946586 918662043 /nfs/dbraw/zinc/66/20/43/918662043.db2.gz YXKHCCWDKDNXMR-LZQZEXGQSA-N 2 1 355.486 1.736 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946586 918662051 /nfs/dbraw/zinc/66/20/51/918662051.db2.gz YXKHCCWDKDNXMR-LZQZEXGQSA-N 2 1 355.486 1.736 20 30 FDEDMP CC(=[NH+]NC(=S)NCCC[NH+](C)C)c1ccc(N2CCOCC2)cc1 ZINC000731930809 918852980 /nfs/dbraw/zinc/85/29/80/918852980.db2.gz NEGCIAOPQJBPOT-UHFFFAOYSA-N 2 1 363.531 1.663 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993106 919366913 /nfs/dbraw/zinc/36/69/13/919366913.db2.gz MEMZUEVTYGGYHZ-TUKJNDCMSA-N 2 1 359.514 1.739 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993106 919366931 /nfs/dbraw/zinc/36/69/31/919366931.db2.gz MEMZUEVTYGGYHZ-TUKJNDCMSA-N 2 1 359.514 1.739 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993106 919366949 /nfs/dbraw/zinc/36/69/49/919366949.db2.gz MEMZUEVTYGGYHZ-TUKJNDCMSA-N 2 1 359.514 1.739 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085429237 924643058 /nfs/dbraw/zinc/64/30/58/924643058.db2.gz LFFKHYPBESLUGH-AQNXPRMDSA-N 2 1 370.497 1.796 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)C1 ZINC001085429237 924643065 /nfs/dbraw/zinc/64/30/65/924643065.db2.gz LFFKHYPBESLUGH-AQNXPRMDSA-N 2 1 370.497 1.796 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001086090904 925951213 /nfs/dbraw/zinc/95/12/13/925951213.db2.gz XHZSYDSHFPTJII-PHXBYCTMSA-N 2 1 370.497 1.914 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326462 926001972 /nfs/dbraw/zinc/00/19/72/926001972.db2.gz IGVQEYOJTSGNRZ-FGTMMUONSA-N 2 1 362.522 1.562 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000743492104 926379292 /nfs/dbraw/zinc/37/92/92/926379292.db2.gz PPFGCRXDOAIHTF-UHFFFAOYSA-N 2 1 357.502 1.236 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001109553538 929767800 /nfs/dbraw/zinc/76/78/00/929767800.db2.gz JNYWQQMTCGEXHJ-GIVPXCGWSA-N 2 1 369.509 1.776 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C2 ZINC001109553538 929767805 /nfs/dbraw/zinc/76/78/05/929767805.db2.gz JNYWQQMTCGEXHJ-GIVPXCGWSA-N 2 1 369.509 1.776 20 30 FDEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@]13CC[N@@H+](C1)CCC3)C2 ZINC001112570731 931652408 /nfs/dbraw/zinc/65/24/08/931652408.db2.gz MJLQLJBKBJPHTB-JBACZVJFSA-N 2 1 361.530 1.893 20 30 FDEDMP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001130305308 938803741 /nfs/dbraw/zinc/80/37/41/938803741.db2.gz SDODQJHSRRVJSR-XLIONFOSSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130726346 940031047 /nfs/dbraw/zinc/03/10/47/940031047.db2.gz UALVJROZUBGEQD-VDZJLULYSA-N 2 1 370.501 1.864 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131081973 940487822 /nfs/dbraw/zinc/48/78/22/940487822.db2.gz GSYQJXKHIMGJQS-GUDVDZBRSA-N 2 1 371.529 1.590 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131074179 940490425 /nfs/dbraw/zinc/49/04/25/940490425.db2.gz XPCMRKUHELFBLH-IAGOWNOFSA-N 2 1 361.534 1.858 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313406 940553064 /nfs/dbraw/zinc/55/30/64/940553064.db2.gz QPRAUPPGKHGPRE-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313464 940553203 /nfs/dbraw/zinc/55/32/03/940553203.db2.gz SWMSFIUGLYSRPQ-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313464 940553204 /nfs/dbraw/zinc/55/32/04/940553204.db2.gz SWMSFIUGLYSRPQ-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001086721429 941646981 /nfs/dbraw/zinc/64/69/81/941646981.db2.gz YTYKPDJGHBLROL-JZXOWHBKSA-N 2 1 360.527 1.924 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ns2)C1 ZINC001086721429 941646982 /nfs/dbraw/zinc/64/69/82/941646982.db2.gz YTYKPDJGHBLROL-JZXOWHBKSA-N 2 1 360.527 1.924 20 30 FDEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597172 971245305 /nfs/dbraw/zinc/24/53/05/971245305.db2.gz FMSFUJRYGVMOPE-LPHOPBHVSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597172 971245310 /nfs/dbraw/zinc/24/53/10/971245310.db2.gz FMSFUJRYGVMOPE-LPHOPBHVSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597172 971245319 /nfs/dbraw/zinc/24/53/19/971245319.db2.gz FMSFUJRYGVMOPE-LPHOPBHVSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597172 971245327 /nfs/dbraw/zinc/24/53/27/971245327.db2.gz FMSFUJRYGVMOPE-LPHOPBHVSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CC[N@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001147291064 952365891 /nfs/dbraw/zinc/36/58/91/952365891.db2.gz GXFPOFLGTDGUHP-UHFFFAOYSA-N 2 1 354.498 1.366 20 30 FDEDMP C#CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001147291064 952365899 /nfs/dbraw/zinc/36/58/99/952365899.db2.gz GXFPOFLGTDGUHP-UHFFFAOYSA-N 2 1 354.498 1.366 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735139 952753940 /nfs/dbraw/zinc/75/39/40/952753940.db2.gz LOQGGPOGRMGQLT-QFUCXCTJSA-N 2 1 361.530 1.986 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735139 952753943 /nfs/dbraw/zinc/75/39/43/952753943.db2.gz LOQGGPOGRMGQLT-QFUCXCTJSA-N 2 1 361.530 1.986 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735139 952753944 /nfs/dbraw/zinc/75/39/44/952753944.db2.gz LOQGGPOGRMGQLT-QFUCXCTJSA-N 2 1 361.530 1.986 20 30 FDEDMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001092203153 954528045 /nfs/dbraw/zinc/52/80/45/954528045.db2.gz FYURVWTZTUKVKO-BEFAXECRSA-N 2 1 370.522 1.996 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)C1 ZINC001092273240 954655552 /nfs/dbraw/zinc/65/55/52/954655552.db2.gz MXKIZZVAJDBOCC-KNKQGSTJSA-N 2 1 369.484 1.909 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)C1 ZINC001092273240 954655560 /nfs/dbraw/zinc/65/55/60/954655560.db2.gz MXKIZZVAJDBOCC-KNKQGSTJSA-N 2 1 369.484 1.909 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)C1 ZINC001092273240 954655567 /nfs/dbraw/zinc/65/55/67/954655567.db2.gz MXKIZZVAJDBOCC-KNKQGSTJSA-N 2 1 369.484 1.909 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC001093221662 957849613 /nfs/dbraw/zinc/84/96/13/957849613.db2.gz AUYDGFFYDIDNIJ-IEBWSBKVSA-N 2 1 354.498 1.611 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nccs3)C[C@H]2C)CC1 ZINC001093222260 957849748 /nfs/dbraw/zinc/84/97/48/957849748.db2.gz KDTBXPVWWMUOPN-NVXWUHKLSA-N 2 1 360.527 1.672 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nccs3)C[C@H]2C)CC1 ZINC001093222260 957849758 /nfs/dbraw/zinc/84/97/58/957849758.db2.gz KDTBXPVWWMUOPN-NVXWUHKLSA-N 2 1 360.527 1.672 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2C)CC1 ZINC001093224424 957856164 /nfs/dbraw/zinc/85/61/64/957856164.db2.gz VXXHDLMUNRKQHV-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3coc(C)n3)C[C@H]2C)CC1 ZINC001093224424 957856175 /nfs/dbraw/zinc/85/61/75/957856175.db2.gz VXXHDLMUNRKQHV-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)nc2C)[C@H](C)C1 ZINC001093833186 958928740 /nfs/dbraw/zinc/92/87/40/958928740.db2.gz XBNQMEAMKPLOJF-HBGVWJBISA-N 2 1 368.525 1.980 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C)nc2C)[C@H](C)C1 ZINC001093833186 958928741 /nfs/dbraw/zinc/92/87/41/958928741.db2.gz XBNQMEAMKPLOJF-HBGVWJBISA-N 2 1 368.525 1.980 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001093920950 959218832 /nfs/dbraw/zinc/21/88/32/959218832.db2.gz CLUWUZITZKAIHM-DNVCBOLYSA-N 2 1 351.454 1.948 20 30 FDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001094417227 960408831 /nfs/dbraw/zinc/40/88/31/960408831.db2.gz OABFZIMBQSIXSN-XWSHUIEDSA-N 2 1 373.541 1.727 20 30 FDEDMP N#Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H](O)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001186058055 964287040 /nfs/dbraw/zinc/28/70/40/964287040.db2.gz PONLVVWSIDPSCA-GUDVDZBRSA-N 2 1 356.470 1.223 20 30 FDEDMP N#Cc1ccc(CN(C(=O)C[N@H+]2CC[C@@H](O)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001186058055 964287046 /nfs/dbraw/zinc/28/70/46/964287046.db2.gz PONLVVWSIDPSCA-GUDVDZBRSA-N 2 1 356.470 1.223 20 30 FDEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205689 966123129 /nfs/dbraw/zinc/12/31/29/966123129.db2.gz RMGJLSXNAZDSKE-RCCFBDPRSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205689 966123139 /nfs/dbraw/zinc/12/31/39/966123139.db2.gz RMGJLSXNAZDSKE-RCCFBDPRSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205689 966123148 /nfs/dbraw/zinc/12/31/48/966123148.db2.gz RMGJLSXNAZDSKE-RCCFBDPRSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205689 966123163 /nfs/dbraw/zinc/12/31/63/966123163.db2.gz RMGJLSXNAZDSKE-RCCFBDPRSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188323627 966202229 /nfs/dbraw/zinc/20/22/29/966202229.db2.gz XRNOORZXLIXHGL-RCCFBDPRSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188323627 966202239 /nfs/dbraw/zinc/20/22/39/966202239.db2.gz XRNOORZXLIXHGL-RCCFBDPRSA-N 2 1 362.518 1.060 20 30 FDEDMP CN1CC[NH+](CCOc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852872584 967678831 /nfs/dbraw/zinc/67/88/31/967678831.db2.gz IJFQQRNRDUVHSV-UHFFFAOYSA-N 2 1 370.497 1.254 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103361 970018807 /nfs/dbraw/zinc/01/88/07/970018807.db2.gz YQPXPZJGHSYYOT-QZTJIDSGSA-N 2 1 367.534 1.253 20 30 FDEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787598 974906563 /nfs/dbraw/zinc/90/65/63/974906563.db2.gz UVWUQRWPKPINNL-GUDVDZBRSA-N 2 1 367.534 1.659 20 30 FDEDMP C=CCCCCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787598 974906564 /nfs/dbraw/zinc/90/65/64/974906564.db2.gz UVWUQRWPKPINNL-GUDVDZBRSA-N 2 1 367.534 1.659 20 30 FDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884206619 982982401 /nfs/dbraw/zinc/98/24/01/982982401.db2.gz ZRBFYLWGVOQXSF-PPAWOBCPSA-N 2 1 373.545 1.143 20 30 FDEDMP C[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](Cc2ccccc2)C1 ZINC000884386859 983132165 /nfs/dbraw/zinc/13/21/65/983132165.db2.gz BKTUEHPZINVZFE-LSNYBQGISA-N 2 1 352.482 1.511 20 30 FDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](Cc2ccccc2)C1 ZINC000884386859 983132169 /nfs/dbraw/zinc/13/21/69/983132169.db2.gz BKTUEHPZINVZFE-LSNYBQGISA-N 2 1 352.482 1.511 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)C2 ZINC000884401289 983138757 /nfs/dbraw/zinc/13/87/57/983138757.db2.gz KFLKFPIBKFLZLC-JMDAGXMHSA-N 2 1 368.481 1.009 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000653392965 1015119972 /nfs/dbraw/zinc/11/99/72/1015119972.db2.gz PDGBVBTWBRXFOL-UHFFFAOYSA-N 2 1 352.523 1.237 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000360890816 988194994 /nfs/dbraw/zinc/19/49/94/988194994.db2.gz UBOXUCWZFGOVNS-RTBURBONSA-N 2 1 364.534 1.658 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000366040953 988327251 /nfs/dbraw/zinc/32/72/51/988327251.db2.gz XISOSOGFIGAFII-KRWDZBQOSA-N 2 1 364.534 1.922 20 30 FDEDMP C=CCN1CC[C@H](N2CCC[C@@H]([N@@H+](C)[C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193244 988939934 /nfs/dbraw/zinc/93/99/34/988939934.db2.gz FURQGWUQHGJCJT-QYZOEREBSA-N 2 1 374.529 1.347 20 30 FDEDMP C=CCN1CC[C@H](N(C)[C@@H]2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193244 988939945 /nfs/dbraw/zinc/93/99/45/988939945.db2.gz FURQGWUQHGJCJT-QYZOEREBSA-N 2 1 374.529 1.347 20 30 FDEDMP C=CCN1CC[C@H](N(C)[C@@H]2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193244 988939946 /nfs/dbraw/zinc/93/99/46/988939946.db2.gz FURQGWUQHGJCJT-QYZOEREBSA-N 2 1 374.529 1.347 20 30 FDEDMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)CC1 ZINC000368822342 989010803 /nfs/dbraw/zinc/01/08/03/989010803.db2.gz FCAGCECROPJRNF-FQEVSTJZSA-N 2 1 361.534 1.144 20 30 FDEDMP C=CC[N@H+](C[C@H](O)CN1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363512525 989259808 /nfs/dbraw/zinc/25/98/08/989259808.db2.gz VPAIHYWXIFFPGQ-LEWJYISDSA-N 2 1 359.514 1.442 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000363713218 989403668 /nfs/dbraw/zinc/40/36/68/989403668.db2.gz MHFWIEJPSRVXKJ-LSTHTHJFSA-N 2 1 370.497 1.653 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000363713218 989403672 /nfs/dbraw/zinc/40/36/72/989403672.db2.gz MHFWIEJPSRVXKJ-LSTHTHJFSA-N 2 1 370.497 1.653 20 30 FDEDMP COCC[N@H+]1CCO[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)CC[C@@H]2C1 ZINC001137118467 993202727 /nfs/dbraw/zinc/20/27/27/993202727.db2.gz YDWNCZOXKAAJER-UYAOXDASSA-N 2 1 359.470 1.758 20 30 FDEDMP COCC[NH+]1CCO[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]2C1 ZINC001137118467 993202735 /nfs/dbraw/zinc/20/27/35/993202735.db2.gz YDWNCZOXKAAJER-UYAOXDASSA-N 2 1 359.470 1.758 20 30 FDEDMP COCC[NH+]1CCO[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)CC[C@@H]2C1 ZINC001137118467 993202740 /nfs/dbraw/zinc/20/27/40/993202740.db2.gz YDWNCZOXKAAJER-UYAOXDASSA-N 2 1 359.470 1.758 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccn(-c2ccccc2)n1 ZINC000264275415 997446810 /nfs/dbraw/zinc/44/68/10/997446810.db2.gz MNFYFDJXOQGEQG-UHFFFAOYSA-N 2 1 356.474 1.041 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCCn2cc[nH+]c2C)CC1 ZINC000286483156 999944949 /nfs/dbraw/zinc/94/49/49/999944949.db2.gz JJDQMIYUKLYWLL-UHFFFAOYSA-N 2 1 361.490 1.197 20 30 FDEDMP C#CC1(O)CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000931148066 1003923988 /nfs/dbraw/zinc/92/39/88/1003923988.db2.gz PVCSZANRSMCZOZ-HKUYNNGSSA-N 2 1 355.482 1.226 20 30 FDEDMP C#CC1(O)CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000931148066 1003923989 /nfs/dbraw/zinc/92/39/89/1003923989.db2.gz PVCSZANRSMCZOZ-HKUYNNGSSA-N 2 1 355.482 1.226 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000303774956 1009576354 /nfs/dbraw/zinc/57/63/54/1009576354.db2.gz GKZQCVDPZYXSNO-FQEVSTJZSA-N 3 1 372.561 1.193 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCN(Cc2ccccc2)CC1 ZINC000303774956 1009576365 /nfs/dbraw/zinc/57/63/65/1009576365.db2.gz GKZQCVDPZYXSNO-FQEVSTJZSA-N 2 1 372.561 1.193 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCN(Cc2ccccc2)CC1 ZINC000303774956 1009576369 /nfs/dbraw/zinc/57/63/69/1009576369.db2.gz GKZQCVDPZYXSNO-FQEVSTJZSA-N 2 1 372.561 1.193 20 30 FDEDMP CCc1cccc2c(CCNC(=[NH2+])NCCC[NH+]3CCOCC3)c[nH]c21 ZINC000304740138 1010476988 /nfs/dbraw/zinc/47/69/88/1010476988.db2.gz BNQSLAHBYMRACO-UHFFFAOYSA-N 2 1 357.502 1.899 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccccc1C(F)(F)F ZINC000304764850 1010489954 /nfs/dbraw/zinc/48/99/54/1010489954.db2.gz YNUMROFZDYPMFN-UHFFFAOYSA-N 2 1 374.407 1.711 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000557730807 544337388 /nfs/dbraw/zinc/33/73/88/544337388.db2.gz DVWJOVVHODJPOV-RBUKOAKNSA-N 2 1 370.497 1.315 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC(C)(C)C#N ZINC000559637344 544751907 /nfs/dbraw/zinc/75/19/07/544751907.db2.gz OGKOXVQOMVXZDD-MRXNPFEDSA-N 2 1 358.552 1.604 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CCC(C)(C)C#N ZINC000559637344 544751911 /nfs/dbraw/zinc/75/19/11/544751911.db2.gz OGKOXVQOMVXZDD-MRXNPFEDSA-N 2 1 358.552 1.604 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000122093627 524449892 /nfs/dbraw/zinc/44/98/92/524449892.db2.gz GUQOQNNDWNWUOO-UHFFFAOYSA-N 2 1 357.458 1.264 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000122093627 524449898 /nfs/dbraw/zinc/44/98/98/524449898.db2.gz GUQOQNNDWNWUOO-UHFFFAOYSA-N 2 1 357.458 1.264 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C2CC[NH+](Cc3nccn3C)CC2)CC1 ZINC000171728735 526098774 /nfs/dbraw/zinc/09/87/74/526098774.db2.gz OYBWRXQOICAOLA-UHFFFAOYSA-N 2 1 359.518 1.789 20 30 FDEDMP C[NH+]=C(NC[C@H](c1ccc(C)o1)[NH+]1CCCC1)N1CCN(C(C)=O)CC1 ZINC000263275422 537007099 /nfs/dbraw/zinc/00/70/99/537007099.db2.gz YFRFJTRZOOHSAF-QGZVFWFLSA-N 2 1 361.490 1.464 20 30 FDEDMP CN(CCC[N@H+](C)CC(=O)N(CCC#N)c1ccccc1)CC[NH+](C)C ZINC000289512785 537573060 /nfs/dbraw/zinc/57/30/60/537573060.db2.gz VDKQRVCWSVEJAI-UHFFFAOYSA-N 2 1 359.518 1.749 20 30 FDEDMP CN(CCC[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1)CC[NH+](C)C ZINC000289512785 537573069 /nfs/dbraw/zinc/57/30/69/537573069.db2.gz VDKQRVCWSVEJAI-UHFFFAOYSA-N 2 1 359.518 1.749 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997968 537598213 /nfs/dbraw/zinc/59/82/13/537598213.db2.gz AQEGLZWOELPQGL-MOPGFXCFSA-N 2 1 371.529 1.466 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000375901822 537796561 /nfs/dbraw/zinc/79/65/61/537796561.db2.gz LHRPASOEVBSDOV-UXHICEINSA-N 2 1 372.513 1.398 20 30 FDEDMP C(#CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C[NH+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459745564 538694709 /nfs/dbraw/zinc/69/47/09/538694709.db2.gz BXBLYDXSYNBQPO-WTGUMLROSA-N 2 1 356.510 1.992 20 30 FDEDMP C(#CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)C[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745564 538694699 /nfs/dbraw/zinc/69/46/99/538694699.db2.gz BXBLYDXSYNBQPO-WTGUMLROSA-N 2 1 356.510 1.992 20 30 FDEDMP N#CCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000571044229 549504559 /nfs/dbraw/zinc/50/45/59/549504559.db2.gz OIHVFTZPHIEUAT-KRWDZBQOSA-N 2 1 363.893 1.599 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000571183952 549557189 /nfs/dbraw/zinc/55/71/89/549557189.db2.gz KRKNGOOVPGCAKC-UHFFFAOYSA-N 2 1 353.470 1.695 20 30 FDEDMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000571795453 549766201 /nfs/dbraw/zinc/76/62/01/549766201.db2.gz ZNOSMBJYZXIFSG-LJQANCHMSA-N 2 1 357.502 1.461 20 30 FDEDMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541728 551238714 /nfs/dbraw/zinc/23/87/14/551238714.db2.gz GQYSHSBXGBMYAT-HKUYNNGSSA-N 2 1 361.486 1.583 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCSC[C@@H]3C#N)CC2)CC1 ZINC000582914079 551280911 /nfs/dbraw/zinc/28/09/11/551280911.db2.gz AKXXBMQIDAMQOR-KRWDZBQOSA-N 2 1 350.532 1.650 20 30 FDEDMP C[N@@H+](CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)C1CC1 ZINC000593340706 552092102 /nfs/dbraw/zinc/09/21/02/552092102.db2.gz FKZCXOZLSXGGGI-UHFFFAOYSA-N 2 1 355.486 1.916 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CCC#N)CCOC)CC2)CC1 ZINC000594272465 552275560 /nfs/dbraw/zinc/27/55/60/552275560.db2.gz HMZUMTKWVJXFEP-UHFFFAOYSA-N 2 1 350.507 1.571 20 30 FDEDMP CN(CC[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1)C1CC[NH+](C)CC1 ZINC000599336704 553031099 /nfs/dbraw/zinc/03/10/99/553031099.db2.gz MWXLTILLPCNAJJ-SFHVURJKSA-N 2 1 352.523 1.016 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000599373042 553038839 /nfs/dbraw/zinc/03/88/39/553038839.db2.gz RQVCCRPVEDJPEF-FHWLQOOXSA-N 2 1 367.534 1.784 20 30 FDEDMP Cn1c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)nc2cc(Cl)ccc21 ZINC000275085664 674605457 /nfs/dbraw/zinc/60/54/57/674605457.db2.gz PCYIPHLEQVRODC-UHFFFAOYSA-N 2 1 364.881 1.353 20 30 FDEDMP C[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000086913985 671484311 /nfs/dbraw/zinc/48/43/11/671484311.db2.gz LLWSTVZVCZTEEZ-MRXNPFEDSA-N 2 1 365.547 1.532 20 30 FDEDMP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000089072095 671491711 /nfs/dbraw/zinc/49/17/11/671491711.db2.gz UHJUKHAANVUFGK-OAHLLOKOSA-N 2 1 351.520 1.489 20 30 FDEDMP CCC(CC)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000104160610 671594761 /nfs/dbraw/zinc/59/47/61/671594761.db2.gz LLGIFNUMVAWEHO-SFHVURJKSA-N 3 1 353.555 1.514 20 30 FDEDMP CO[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1Cl ZINC000123622569 671728119 /nfs/dbraw/zinc/72/81/19/671728119.db2.gz FPHVREBHLGGTIN-MRXNPFEDSA-N 2 1 354.882 1.654 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261686220 672650861 /nfs/dbraw/zinc/65/08/61/672650861.db2.gz IBGLQXIBIAPSGM-FCEWJHQRSA-N 2 1 352.523 1.420 20 30 FDEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCO[C@@H](C)C3)CC2)cs1 ZINC000262487106 672797455 /nfs/dbraw/zinc/79/74/55/672797455.db2.gz STZMSHBIONBSRO-AWEZNQCLSA-N 2 1 365.547 1.953 20 30 FDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262755557 672842681 /nfs/dbraw/zinc/84/26/81/672842681.db2.gz DEUQECLLIOGCOL-KRWDZBQOSA-N 2 1 350.488 1.518 20 30 FDEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC)N1CCOCC1 ZINC000303790334 676543097 /nfs/dbraw/zinc/54/30/97/676543097.db2.gz WBWJMVGDCKAXNH-MSOLQXFVSA-N 2 1 353.555 1.512 20 30 FDEDMP CC(C)[NH+]1CCC(O)(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329935336 676664569 /nfs/dbraw/zinc/66/45/69/676664569.db2.gz QYEQGIVLNONVJD-ALOPSCKCSA-N 2 1 352.523 1.741 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000370295955 677561988 /nfs/dbraw/zinc/56/19/88/677561988.db2.gz AYFZZTHCBKQUSI-ROUUACIJSA-N 2 1 350.507 1.268 20 30 FDEDMP C=CCOCCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374726762 678090240 /nfs/dbraw/zinc/09/02/40/678090240.db2.gz QCADIYPCVBWRMM-UHFFFAOYSA-N 2 1 352.523 1.685 20 30 FDEDMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3[nH]cc(C#N)c32)c2c1CC[NH2+]C2 ZINC001164685188 719603397 /nfs/dbraw/zinc/60/33/97/719603397.db2.gz SLLZALYNPMHKJO-UHFFFAOYSA-N 2 1 350.430 1.501 20 30 FDEDMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3[nH]cc(C#N)c32)c2c1CC[NH2+]C2 ZINC001164685188 719603405 /nfs/dbraw/zinc/60/34/05/719603405.db2.gz SLLZALYNPMHKJO-UHFFFAOYSA-N 2 1 350.430 1.501 20 30 FDEDMP C#CCCN1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193938 771222945 /nfs/dbraw/zinc/22/29/45/771222945.db2.gz NWZDHWSCDWGAQA-FCEWJHQRSA-N 2 1 351.466 1.134 20 30 FDEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193938 771222950 /nfs/dbraw/zinc/22/29/50/771222950.db2.gz NWZDHWSCDWGAQA-FCEWJHQRSA-N 2 1 351.466 1.134 20 30 FDEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193938 771222954 /nfs/dbraw/zinc/22/29/54/771222954.db2.gz NWZDHWSCDWGAQA-FCEWJHQRSA-N 2 1 351.466 1.134 20 30 FDEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193938 771222960 /nfs/dbraw/zinc/22/29/60/771222960.db2.gz NWZDHWSCDWGAQA-FCEWJHQRSA-N 2 1 351.466 1.134 20 30 FDEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193938 771222965 /nfs/dbraw/zinc/22/29/65/771222965.db2.gz NWZDHWSCDWGAQA-FCEWJHQRSA-N 2 1 351.466 1.134 20 30 FDEDMP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001022105181 777952923 /nfs/dbraw/zinc/95/29/23/777952923.db2.gz SUEISPMMHUYROZ-NKGKWGDASA-N 2 1 356.470 1.644 20 30 FDEDMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001075424243 777967333 /nfs/dbraw/zinc/96/73/33/777967333.db2.gz ICEYJRYCCNLIGY-NLWGTHIKSA-N 2 1 357.473 1.932 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001075424243 777967337 /nfs/dbraw/zinc/96/73/37/777967337.db2.gz ICEYJRYCCNLIGY-NLWGTHIKSA-N 2 1 357.473 1.932 20 30 FDEDMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001075424243 777967344 /nfs/dbraw/zinc/96/73/44/777967344.db2.gz ICEYJRYCCNLIGY-NLWGTHIKSA-N 2 1 357.473 1.932 20 30 FDEDMP C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375833856 785078345 /nfs/dbraw/zinc/07/83/45/785078345.db2.gz VNLRQDPIIGPAOT-WOJBJXKFSA-N 2 1 372.513 1.398 20 30 FDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104580799 788694844 /nfs/dbraw/zinc/69/48/44/788694844.db2.gz IUKJOYHYFXRFFM-OIISXLGYSA-N 2 1 357.926 1.922 20 30 FDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104580799 788694849 /nfs/dbraw/zinc/69/48/49/788694849.db2.gz IUKJOYHYFXRFFM-OIISXLGYSA-N 2 1 357.926 1.922 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726330 809405357 /nfs/dbraw/zinc/40/53/57/809405357.db2.gz WAFYXVNLKVLSHC-XUVXKRRUSA-N 2 1 355.482 1.315 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726330 809405362 /nfs/dbraw/zinc/40/53/62/809405362.db2.gz WAFYXVNLKVLSHC-XUVXKRRUSA-N 2 1 355.482 1.315 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001028550233 810620502 /nfs/dbraw/zinc/62/05/02/810620502.db2.gz LIJJZCNSKCJFDZ-IMFGXOCKSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC001028550233 810620507 /nfs/dbraw/zinc/62/05/07/810620507.db2.gz LIJJZCNSKCJFDZ-IMFGXOCKSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC001028550233 810620511 /nfs/dbraw/zinc/62/05/11/810620511.db2.gz LIJJZCNSKCJFDZ-IMFGXOCKSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC001028550423 810621155 /nfs/dbraw/zinc/62/11/55/810621155.db2.gz PIEKNCKNQZJBLR-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC[NH+]1C ZINC001028550423 810621160 /nfs/dbraw/zinc/62/11/60/810621160.db2.gz PIEKNCKNQZJBLR-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC[NH+]1C ZINC001028550423 810621164 /nfs/dbraw/zinc/62/11/64/810621164.db2.gz PIEKNCKNQZJBLR-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262509863 811480348 /nfs/dbraw/zinc/48/03/48/811480348.db2.gz AYAPOFGUCYYQCS-INIZCTEOSA-N 2 1 373.501 1.487 20 30 FDEDMP C[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261798482 811646613 /nfs/dbraw/zinc/64/66/13/811646613.db2.gz RFHQGDFARJLMSC-GOEBONIOSA-N 2 1 359.522 1.195 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C)C(C)C ZINC000419425891 811934992 /nfs/dbraw/zinc/93/49/92/811934992.db2.gz QFRPQMLLNXNJAH-GBESFXJTSA-N 2 1 366.550 1.782 20 30 FDEDMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1CC ZINC001087575973 821578839 /nfs/dbraw/zinc/57/88/39/821578839.db2.gz GMSKWARUWPNOIC-WCIQWLHISA-N 2 1 361.530 1.726 20 30 FDEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H]1CC ZINC001087575892 821578931 /nfs/dbraw/zinc/57/89/31/821578931.db2.gz BBKNBAHAPCUOOR-WCIQWLHISA-N 2 1 361.530 1.726 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCCOC3)[C@@H]2CC)CC1 ZINC001087840078 822558724 /nfs/dbraw/zinc/55/87/24/822558724.db2.gz GUJSHTOYBVOBBU-YSIASYRMSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@@H]2CC)CC1 ZINC001087840195 822559030 /nfs/dbraw/zinc/55/90/30/822559030.db2.gz LRYHRKDECJGERX-VQTJNVASSA-N 2 1 371.529 1.277 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001087920490 823875077 /nfs/dbraw/zinc/87/50/77/823875077.db2.gz QWJILVWAJZEIIG-AABGKKOBSA-N 2 1 368.481 1.169 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001087920490 823875088 /nfs/dbraw/zinc/87/50/88/823875088.db2.gz QWJILVWAJZEIIG-AABGKKOBSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001087920490 823875098 /nfs/dbraw/zinc/87/50/98/823875098.db2.gz QWJILVWAJZEIIG-AABGKKOBSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001087920490 823875114 /nfs/dbraw/zinc/87/51/14/823875114.db2.gz QWJILVWAJZEIIG-AABGKKOBSA-N 2 1 368.481 1.169 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973000 824304660 /nfs/dbraw/zinc/30/46/60/824304660.db2.gz FQKNGTCBFMXWHF-GJYPPUQNSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973000 824304665 /nfs/dbraw/zinc/30/46/65/824304665.db2.gz FQKNGTCBFMXWHF-GJYPPUQNSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973000 824304672 /nfs/dbraw/zinc/30/46/72/824304672.db2.gz FQKNGTCBFMXWHF-GJYPPUQNSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973000 824304675 /nfs/dbraw/zinc/30/46/75/824304675.db2.gz FQKNGTCBFMXWHF-GJYPPUQNSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992136 824952743 /nfs/dbraw/zinc/95/27/43/824952743.db2.gz FOLAPTNCRIKPFD-WSTZPKSXSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992136 824952744 /nfs/dbraw/zinc/95/27/44/824952744.db2.gz FOLAPTNCRIKPFD-WSTZPKSXSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992136 824952746 /nfs/dbraw/zinc/95/27/46/824952746.db2.gz FOLAPTNCRIKPFD-WSTZPKSXSA-N 2 1 359.514 1.433 20 30 FDEDMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(NCC(=O)N(C)C)=[NH+][C@H]1CCCC[C@H]1C ZINC000262322137 825155540 /nfs/dbraw/zinc/15/55/40/825155540.db2.gz SCMXIUCLDLPJDN-MXSMSXNCSA-N 2 1 363.550 1.671 20 30 FDEDMP C[C@H]1C[NH+]=C(NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)N1 ZINC000263062191 832295549 /nfs/dbraw/zinc/29/55/49/832295549.db2.gz FPULQIANHLGVQM-KRWDZBQOSA-N 2 1 357.502 1.295 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105667165 843517007 /nfs/dbraw/zinc/51/70/07/843517007.db2.gz OXDOKUOACIDJTC-IZBJGVDFSA-N 2 1 351.535 1.870 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105672775 845214039 /nfs/dbraw/zinc/21/40/39/845214039.db2.gz DGPYXOGLRRXPTP-IZBJGVDFSA-N 2 1 351.535 1.869 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnc(C)cn4)C[C@H]32)CC1 ZINC001076605570 848555610 /nfs/dbraw/zinc/55/56/10/848555610.db2.gz HBWYXZTVWKDXQN-AZUAARDMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnc(C)cn4)C[C@H]32)CC1 ZINC001076605570 848555612 /nfs/dbraw/zinc/55/56/12/848555612.db2.gz HBWYXZTVWKDXQN-AZUAARDMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452237 852901442 /nfs/dbraw/zinc/90/14/42/852901442.db2.gz NNRUYBGCXXDIOB-RBUKOAKNSA-N 2 1 357.502 1.011 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000668843385 857697033 /nfs/dbraw/zinc/69/70/33/857697033.db2.gz PVXSTCWVZKJTKZ-KRWDZBQOSA-N 2 1 350.507 1.086 20 30 FDEDMP C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911077116 858120189 /nfs/dbraw/zinc/12/01/89/858120189.db2.gz CIESOIFWKLAFAW-RYQLBKOJSA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCCC[C@H](C)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911077116 858120194 /nfs/dbraw/zinc/12/01/94/858120194.db2.gz CIESOIFWKLAFAW-RYQLBKOJSA-N 2 1 362.518 1.275 20 30 FDEDMP CSCCC[NH+]=C(NC[C@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912508175 859832688 /nfs/dbraw/zinc/83/26/88/859832688.db2.gz ITFOKOIWTWBNKU-INIZCTEOSA-N 2 1 357.612 1.957 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)[C@H]2C)cc1C#N ZINC001088980313 865889136 /nfs/dbraw/zinc/88/91/36/865889136.db2.gz DCJYCJPJAMNCCB-AYBZRNKSSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1C#N ZINC001088980313 865889163 /nfs/dbraw/zinc/88/91/63/865889163.db2.gz DCJYCJPJAMNCCB-AYBZRNKSSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1C#N ZINC001088980313 865889179 /nfs/dbraw/zinc/88/91/79/865889179.db2.gz DCJYCJPJAMNCCB-AYBZRNKSSA-N 2 1 370.497 1.988 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248354 874114931 /nfs/dbraw/zinc/11/49/31/874114931.db2.gz NCDKAHQNVGDNSP-CEXWTWQISA-N 2 1 351.535 1.851 20 30 FDEDMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106775495 877742906 /nfs/dbraw/zinc/74/29/06/877742906.db2.gz KVWKUBINPXUIBB-RTBURBONSA-N 2 1 351.535 1.832 20 30 FDEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077553259 886380516 /nfs/dbraw/zinc/38/05/16/886380516.db2.gz IGOAWNFDPPSYOL-XUVXKRRUSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077553259 886380536 /nfs/dbraw/zinc/38/05/36/886380536.db2.gz IGOAWNFDPPSYOL-XUVXKRRUSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077553259 886380557 /nfs/dbraw/zinc/38/05/57/886380557.db2.gz IGOAWNFDPPSYOL-XUVXKRRUSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077553259 886380584 /nfs/dbraw/zinc/38/05/84/886380584.db2.gz IGOAWNFDPPSYOL-XUVXKRRUSA-N 2 1 370.497 1.342 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000919962567 886461160 /nfs/dbraw/zinc/46/11/60/886461160.db2.gz VPVNBXNNELKKDQ-SFHVURJKSA-N 2 1 374.554 1.498 20 30 FDEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001077927722 896924668 /nfs/dbraw/zinc/92/46/68/896924668.db2.gz BJXNTZQFPWNGOY-WOJBJXKFSA-N 2 1 370.497 1.340 20 30 FDEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001077927722 896924672 /nfs/dbraw/zinc/92/46/72/896924672.db2.gz BJXNTZQFPWNGOY-WOJBJXKFSA-N 2 1 370.497 1.340 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3)C[C@H]2O)CC1 ZINC001078228143 898431797 /nfs/dbraw/zinc/43/17/97/898431797.db2.gz FGOJNUFXYNSIEW-WOJBJXKFSA-N 2 1 355.482 1.002 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[C@H]1c1ccc(F)cc1 ZINC001079154790 902069798 /nfs/dbraw/zinc/06/97/98/902069798.db2.gz WHDXDZPSGGBXTI-XWPNQZOQSA-N 2 1 373.472 1.452 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[C@H]1c1ccc(F)cc1 ZINC001079154790 902069804 /nfs/dbraw/zinc/06/98/04/902069804.db2.gz WHDXDZPSGGBXTI-XWPNQZOQSA-N 2 1 373.472 1.452 20 30 FDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273694 902289688 /nfs/dbraw/zinc/28/96/88/902289688.db2.gz MEMKRICHQCOTQE-GBESFXJTSA-N 2 1 361.530 1.844 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079273336 902338790 /nfs/dbraw/zinc/33/87/90/902338790.db2.gz ABMVNDKCZYEARO-ZWKOTPCHSA-N 2 1 358.486 1.707 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710448 903119865 /nfs/dbraw/zinc/11/98/65/903119865.db2.gz JAHFWFNDDMJTMA-HEFCMCLBSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710448 903119870 /nfs/dbraw/zinc/11/98/70/903119870.db2.gz JAHFWFNDDMJTMA-HEFCMCLBSA-N 2 1 370.472 1.976 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081683687 904932859 /nfs/dbraw/zinc/93/28/59/904932859.db2.gz HDFLIJDTKHXSJA-MKXGPGLRSA-N 2 1 365.518 1.125 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107443027 904940594 /nfs/dbraw/zinc/94/05/94/904940594.db2.gz VIZIPNICENLDDN-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107443027 904940597 /nfs/dbraw/zinc/94/05/97/904940597.db2.gz VIZIPNICENLDDN-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107443027 904940601 /nfs/dbraw/zinc/94/06/01/904940601.db2.gz VIZIPNICENLDDN-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444450 904943423 /nfs/dbraw/zinc/94/34/23/904943423.db2.gz IRXAINNCTHSCIW-IMFGXOCKSA-N 2 1 364.534 1.236 20 30 FDEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107614056 905990323 /nfs/dbraw/zinc/99/03/23/905990323.db2.gz NYFRUAVPAOTOEV-YLJYHZDGSA-N 2 1 364.534 1.381 20 30 FDEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107616020 906008794 /nfs/dbraw/zinc/00/87/94/906008794.db2.gz OWEGWRBECKXWHM-YLJYHZDGSA-N 2 1 364.534 1.381 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107616020 906008806 /nfs/dbraw/zinc/00/88/06/906008806.db2.gz OWEGWRBECKXWHM-YLJYHZDGSA-N 2 1 364.534 1.381 20 30 FDEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107616020 906008817 /nfs/dbraw/zinc/00/88/17/906008817.db2.gz OWEGWRBECKXWHM-YLJYHZDGSA-N 2 1 364.534 1.381 20 30 FDEDMP C=CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001127832913 906475356 /nfs/dbraw/zinc/47/53/56/906475356.db2.gz SEIIWUZEKIPSPA-NZSAHSFTSA-N 2 1 371.529 1.782 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001080935514 906725668 /nfs/dbraw/zinc/72/56/68/906725668.db2.gz XQCFVBXHPASOME-HHXXYDBFSA-N 2 1 356.470 1.477 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001080935514 906725675 /nfs/dbraw/zinc/72/56/75/906725675.db2.gz XQCFVBXHPASOME-HHXXYDBFSA-N 2 1 356.470 1.477 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001080935514 906725686 /nfs/dbraw/zinc/72/56/86/906725686.db2.gz XQCFVBXHPASOME-HHXXYDBFSA-N 2 1 356.470 1.477 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)n3)C[C@H]2C)CC1 ZINC001080997613 906971082 /nfs/dbraw/zinc/97/10/82/906971082.db2.gz GXMIVCFTMUJSJJ-VQIMIIECSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)n3)C[C@H]2C)CC1 ZINC001080997613 906971088 /nfs/dbraw/zinc/97/10/88/906971088.db2.gz GXMIVCFTMUJSJJ-VQIMIIECSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001082567797 908702210 /nfs/dbraw/zinc/70/22/10/908702210.db2.gz BXXMDSMIRQIDKO-NXHRZFHOSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001082567797 908702222 /nfs/dbraw/zinc/70/22/22/908702222.db2.gz BXXMDSMIRQIDKO-NXHRZFHOSA-N 2 1 356.470 1.124 20 30 FDEDMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084775816 917000376 /nfs/dbraw/zinc/00/03/76/917000376.db2.gz VNTZDXKTYGEICT-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084775816 917000391 /nfs/dbraw/zinc/00/03/91/917000391.db2.gz VNTZDXKTYGEICT-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084775816 917000400 /nfs/dbraw/zinc/00/04/00/917000400.db2.gz VNTZDXKTYGEICT-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001084775816 917000414 /nfs/dbraw/zinc/00/04/14/917000414.db2.gz VNTZDXKTYGEICT-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cccnc4)C[C@H]32)CC1 ZINC001084851261 917660698 /nfs/dbraw/zinc/66/06/98/917660698.db2.gz UOEVONBVSFKNQJ-WOJBJXKFSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccnc4)C[C@H]32)CC1 ZINC001084851261 917660700 /nfs/dbraw/zinc/66/07/00/917660700.db2.gz UOEVONBVSFKNQJ-WOJBJXKFSA-N 2 1 352.482 1.460 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646460 930001597 /nfs/dbraw/zinc/00/15/97/930001597.db2.gz XNSRTIIYXWOYOK-NBMJBFSESA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001109646460 930001600 /nfs/dbraw/zinc/00/16/00/930001600.db2.gz XNSRTIIYXWOYOK-NBMJBFSESA-N 2 1 358.486 1.678 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001109977418 930936132 /nfs/dbraw/zinc/93/61/32/930936132.db2.gz IOSLDHMHVBRHLO-COXVUDFISA-N 2 1 362.499 1.419 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001109977418 930936140 /nfs/dbraw/zinc/93/61/40/930936140.db2.gz IOSLDHMHVBRHLO-COXVUDFISA-N 2 1 362.499 1.419 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110021496 931103853 /nfs/dbraw/zinc/10/38/53/931103853.db2.gz FDVBWXHRYMUMPA-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110021496 931103857 /nfs/dbraw/zinc/10/38/57/931103857.db2.gz FDVBWXHRYMUMPA-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110021496 931103863 /nfs/dbraw/zinc/10/38/63/931103863.db2.gz FDVBWXHRYMUMPA-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110021496 931103867 /nfs/dbraw/zinc/10/38/67/931103867.db2.gz FDVBWXHRYMUMPA-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567872 931646060 /nfs/dbraw/zinc/64/60/60/931646060.db2.gz MCZPONDKSBKJCE-UWVAXJGDSA-N 2 1 364.534 1.237 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588278 933608112 /nfs/dbraw/zinc/60/81/12/933608112.db2.gz NHUDKZHDQCLNGW-PWRODBHTSA-N 2 1 351.494 1.936 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433863 938424150 /nfs/dbraw/zinc/42/41/50/938424150.db2.gz WTAWLZCBGDXFMG-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433863 938424151 /nfs/dbraw/zinc/42/41/51/938424151.db2.gz WTAWLZCBGDXFMG-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129460378 938435756 /nfs/dbraw/zinc/43/57/56/938435756.db2.gz LLCRBXWIAZTUFP-SQNIBIBYSA-N 2 1 360.506 1.316 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129460378 938435757 /nfs/dbraw/zinc/43/57/57/938435757.db2.gz LLCRBXWIAZTUFP-SQNIBIBYSA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@@H]1n1ccnn1 ZINC001129856148 938529033 /nfs/dbraw/zinc/52/90/33/938529033.db2.gz YIMVTOUHMRHUFV-BBWFWOEESA-N 2 1 371.489 1.606 20 30 FDEDMP C[NH+](C)CCN1c2ccccc2C(=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)C1=O ZINC000807979077 940504096 /nfs/dbraw/zinc/50/40/96/940504096.db2.gz MCSFQLBFLMPJJM-HUUCEWRRSA-N 2 1 354.458 1.159 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cncn1C ZINC001131132448 940512607 /nfs/dbraw/zinc/51/26/07/940512607.db2.gz LCFNXYHEOCZHJS-KZNAEPCWSA-N 2 1 357.502 1.202 20 30 FDEDMP C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H]([NH3+])CCCC#N)n3)cn2)CC1 ZINC000822951636 945329730 /nfs/dbraw/zinc/32/97/30/945329730.db2.gz WHMJGTAWUJFMNV-HNNXBMFYSA-N 2 1 355.446 1.967 20 30 FDEDMP C[N@H+]1CCCN(c2ccc(-c3noc([C@@H]([NH3+])CCCC#N)n3)cn2)CC1 ZINC000822951636 945329736 /nfs/dbraw/zinc/32/97/36/945329736.db2.gz WHMJGTAWUJFMNV-HNNXBMFYSA-N 2 1 355.446 1.967 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001131316566 940551033 /nfs/dbraw/zinc/55/10/33/940551033.db2.gz NILDPIUQLDXDAY-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316566 940551034 /nfs/dbraw/zinc/55/10/34/940551034.db2.gz NILDPIUQLDXDAY-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316566 940551035 /nfs/dbraw/zinc/55/10/35/940551035.db2.gz NILDPIUQLDXDAY-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2conc2CC)C1 ZINC001086720534 941624789 /nfs/dbraw/zinc/62/47/89/941624789.db2.gz AHSVAKCHXMUOEM-WDYCEAGBSA-N 2 1 358.486 1.709 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2conc2CC)C1 ZINC001086720534 941624793 /nfs/dbraw/zinc/62/47/93/941624793.db2.gz AHSVAKCHXMUOEM-WDYCEAGBSA-N 2 1 358.486 1.709 20 30 FDEDMP C(#CC[NH+]1CCC2(CC1)OCCCO2)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815155798 941787754 /nfs/dbraw/zinc/78/77/54/941787754.db2.gz MPCGRXPKNVJKNA-UHFFFAOYSA-N 2 1 364.486 1.448 20 30 FDEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(=O)N(C)CCC#N)C2)ccn1 ZINC000856585212 971235779 /nfs/dbraw/zinc/23/57/79/971235779.db2.gz AZLHZUGHPGYIPL-IBGZPJMESA-N 2 1 373.501 1.749 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)ccn1 ZINC000856585212 971235784 /nfs/dbraw/zinc/23/57/84/971235784.db2.gz AZLHZUGHPGYIPL-IBGZPJMESA-N 2 1 373.501 1.749 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCC(=O)N(C)CCC#N)C2)ccn1 ZINC000856585212 971235794 /nfs/dbraw/zinc/23/57/94/971235794.db2.gz AZLHZUGHPGYIPL-IBGZPJMESA-N 2 1 373.501 1.749 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090879520 947575543 /nfs/dbraw/zinc/57/55/43/947575543.db2.gz NEQNKYBZNIYMLK-BVPXEZJJSA-N 2 1 369.509 1.943 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cnn(C)c1 ZINC001086996740 953038720 /nfs/dbraw/zinc/03/87/20/953038720.db2.gz SKXULFRIYHWFPG-ZWKOTPCHSA-N 2 1 359.518 1.612 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087035126 953144109 /nfs/dbraw/zinc/14/41/09/953144109.db2.gz MSHGZUUMTUMDHD-VAMGGRTRSA-N 2 1 370.497 1.606 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272538 954653232 /nfs/dbraw/zinc/65/32/32/954653232.db2.gz FNJATSAFHWFEDH-LZWOXQAQSA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272538 954653241 /nfs/dbraw/zinc/65/32/41/954653241.db2.gz FNJATSAFHWFEDH-LZWOXQAQSA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272538 954653252 /nfs/dbraw/zinc/65/32/52/954653252.db2.gz FNJATSAFHWFEDH-LZWOXQAQSA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272538 954653257 /nfs/dbraw/zinc/65/32/57/954653257.db2.gz FNJATSAFHWFEDH-LZWOXQAQSA-N 2 1 356.308 1.627 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)C1 ZINC001092273236 954656022 /nfs/dbraw/zinc/65/60/22/954656022.db2.gz MXKIZZVAJDBOCC-JQVVWYNYSA-N 2 1 369.484 1.909 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)C1 ZINC001092273236 954656030 /nfs/dbraw/zinc/65/60/30/954656030.db2.gz MXKIZZVAJDBOCC-JQVVWYNYSA-N 2 1 369.484 1.909 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@@]3(C)C2)C1 ZINC001092273236 954656031 /nfs/dbraw/zinc/65/60/31/954656031.db2.gz MXKIZZVAJDBOCC-JQVVWYNYSA-N 2 1 369.484 1.909 20 30 FDEDMP C=C(C)CC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1nccn12 ZINC001092371167 955041252 /nfs/dbraw/zinc/04/12/52/955041252.db2.gz XMCXPFFUBMUGPV-BRWVUGGUSA-N 2 1 357.502 1.761 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505372 955279102 /nfs/dbraw/zinc/27/91/02/955279102.db2.gz NRSMHSIEARUKDL-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092505372 955279107 /nfs/dbraw/zinc/27/91/07/955279107.db2.gz NRSMHSIEARUKDL-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092505372 955279115 /nfs/dbraw/zinc/27/91/15/955279115.db2.gz NRSMHSIEARUKDL-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC001092688928 956194842 /nfs/dbraw/zinc/19/48/42/956194842.db2.gz FXSZFVJXNPYBJR-MDZRGWNJSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(F)cn2)C[C@H]1C ZINC001092688928 956194846 /nfs/dbraw/zinc/19/48/46/956194846.db2.gz FXSZFVJXNPYBJR-MDZRGWNJSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@H]1C ZINC001092688928 956194847 /nfs/dbraw/zinc/19/48/47/956194847.db2.gz FXSZFVJXNPYBJR-MDZRGWNJSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(F)cn2)C[C@H]1C ZINC001092688928 956194849 /nfs/dbraw/zinc/19/48/49/956194849.db2.gz FXSZFVJXNPYBJR-MDZRGWNJSA-N 2 1 358.461 1.502 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193845 957752511 /nfs/dbraw/zinc/75/25/11/957752511.db2.gz NMRNEFADKAHWHR-BHIYHBOVSA-N 2 1 370.497 1.725 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193845 957752518 /nfs/dbraw/zinc/75/25/18/957752518.db2.gz NMRNEFADKAHWHR-BHIYHBOVSA-N 2 1 370.497 1.725 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193845 957752524 /nfs/dbraw/zinc/75/25/24/957752524.db2.gz NMRNEFADKAHWHR-BHIYHBOVSA-N 2 1 370.497 1.725 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001093212217 957763617 /nfs/dbraw/zinc/76/36/17/957763617.db2.gz KRBVTWAHNKTBOH-NRSPTQNISA-N 2 1 369.509 1.443 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001093212217 957763627 /nfs/dbraw/zinc/76/36/27/957763627.db2.gz KRBVTWAHNKTBOH-NRSPTQNISA-N 2 1 369.509 1.443 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001093212217 957763633 /nfs/dbraw/zinc/76/36/33/957763633.db2.gz KRBVTWAHNKTBOH-NRSPTQNISA-N 2 1 369.509 1.443 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001093212217 957763637 /nfs/dbraw/zinc/76/36/37/957763637.db2.gz KRBVTWAHNKTBOH-NRSPTQNISA-N 2 1 369.509 1.443 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001093480876 958304968 /nfs/dbraw/zinc/30/49/68/958304968.db2.gz PPSMOJINWSHTEM-IZBJGVDFSA-N 2 1 360.502 1.734 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2)[C@H](C)C1 ZINC001093832856 958925686 /nfs/dbraw/zinc/92/56/86/958925686.db2.gz CZOQLGAADFTLNJ-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)c2)[C@H](C)C1 ZINC001093832856 958925690 /nfs/dbraw/zinc/92/56/90/958925690.db2.gz CZOQLGAADFTLNJ-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093857417 959015983 /nfs/dbraw/zinc/01/59/83/959015983.db2.gz DVFWZUKWQKMWOI-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093857417 959015993 /nfs/dbraw/zinc/01/59/93/959015993.db2.gz DVFWZUKWQKMWOI-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+](C1CCC(C)(C#N)CC1)CC2 ZINC001173595461 962470619 /nfs/dbraw/zinc/47/06/19/962470619.db2.gz PBZMDIYKGCPULT-UHFFFAOYSA-N 2 1 359.474 1.797 20 30 FDEDMP CCNC(NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)=[NH+]CC ZINC000849109647 977319721 /nfs/dbraw/zinc/31/97/21/977319721.db2.gz CIYALKWTFUKRSW-UHFFFAOYSA-N 2 1 373.545 1.933 20 30 FDEDMP C[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](Cc2ccccc2)C1 ZINC000884386858 983132018 /nfs/dbraw/zinc/13/20/18/983132018.db2.gz BKTUEHPZINVZFE-KYBDOYODSA-N 2 1 352.482 1.511 20 30 FDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@H](Cc2ccccc2)C1 ZINC000884386858 983132024 /nfs/dbraw/zinc/13/20/24/983132024.db2.gz BKTUEHPZINVZFE-KYBDOYODSA-N 2 1 352.482 1.511 20 30 FDEDMP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N(CC)C[C@@H](C)C#N)CC2)CC1 ZINC000369155966 989031959 /nfs/dbraw/zinc/03/19/59/989031959.db2.gz NODFGKXUPZKYFZ-SFHVURJKSA-N 2 1 363.550 1.487 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000297218903 989497390 /nfs/dbraw/zinc/49/73/90/989497390.db2.gz DZLGZWCIABYNJX-UHFFFAOYSA-N 2 1 355.486 1.587 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000876734445 992849610 /nfs/dbraw/zinc/84/96/10/992849610.db2.gz TUTDKNGXMUQHOZ-INIZCTEOSA-N 2 1 364.877 1.412 20 30 FDEDMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC1 ZINC001137120392 993296845 /nfs/dbraw/zinc/29/68/45/993296845.db2.gz JPDSAYVUEYABAP-UHFFFAOYSA-N 2 1 356.470 1.575 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCc1scnc1C ZINC001095556359 993441536 /nfs/dbraw/zinc/44/15/36/993441536.db2.gz NJVAQCBODJFAID-OWSLCNJRSA-N 2 1 372.538 1.813 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000264114005 997404250 /nfs/dbraw/zinc/40/42/50/997404250.db2.gz PNMMQGJHENIHCL-RDJZCZTQSA-N 2 1 360.506 1.195 20 30 FDEDMP CCc1cccc(NC(=[NH2+])NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000264123115 997407397 /nfs/dbraw/zinc/40/73/97/997407397.db2.gz RQFREDGEPMUCQO-UHFFFAOYSA-N 2 1 367.501 1.978 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264985826 997668246 /nfs/dbraw/zinc/66/82/46/997668246.db2.gz NMYYBDYBGYQEHD-QGZVFWFLSA-N 2 1 363.506 1.222 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000265479738 997801225 /nfs/dbraw/zinc/80/12/25/997801225.db2.gz SDUDZXALIJDFGA-GOSISDBHSA-N 2 1 369.513 1.054 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889658331 998507276 /nfs/dbraw/zinc/50/72/76/998507276.db2.gz CULBNCFLFUGJOG-IBGZPJMESA-N 2 1 369.513 1.335 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000889658331 998507283 /nfs/dbraw/zinc/50/72/83/998507283.db2.gz CULBNCFLFUGJOG-IBGZPJMESA-N 2 1 369.513 1.335 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000890376995 998921169 /nfs/dbraw/zinc/92/11/69/998921169.db2.gz FPJGEZQAZXCOBM-QGZVFWFLSA-N 2 1 358.486 1.983 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000890376995 998921171 /nfs/dbraw/zinc/92/11/71/998921171.db2.gz FPJGEZQAZXCOBM-QGZVFWFLSA-N 2 1 358.486 1.983 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405534 999554118 /nfs/dbraw/zinc/55/41/18/999554118.db2.gz GNQZTYYPASNKFS-ZWKOTPCHSA-N 2 1 357.502 1.424 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000283863460 999762799 /nfs/dbraw/zinc/76/27/99/999762799.db2.gz BSKORQYRFNOKNU-KRWDZBQOSA-N 2 1 374.485 1.299 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2cccc(C[N@H+](C)CC)c2)CC1 ZINC000284883841 999877981 /nfs/dbraw/zinc/87/79/81/999877981.db2.gz GRIZXKFMSUFGAK-UHFFFAOYSA-N 2 1 372.513 1.521 20 30 FDEDMP C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931484648 1004201442 /nfs/dbraw/zinc/20/14/42/1004201442.db2.gz OONIGUVIZBFKBZ-QGZVFWFLSA-N 2 1 358.486 1.710 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000303889887 1009676742 /nfs/dbraw/zinc/67/67/42/1009676742.db2.gz MGOPOKLGSHEINI-SOLBZPMBSA-N 2 1 374.533 1.584 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000303906170 1009688154 /nfs/dbraw/zinc/68/81/54/1009688154.db2.gz ZTJCCKFMHULUOU-MRXNPFEDSA-N 2 1 363.481 1.551 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415324 1012427244 /nfs/dbraw/zinc/42/72/44/1012427244.db2.gz MRQRWNQBWANXHP-KURKYZTESA-N 2 1 362.518 1.276 20 30 FDEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415324 1012427255 /nfs/dbraw/zinc/42/72/55/1012427255.db2.gz MRQRWNQBWANXHP-KURKYZTESA-N 2 1 362.518 1.276 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000517317276 539362638 /nfs/dbraw/zinc/36/26/38/539362638.db2.gz CWQOBWVVMVFVGW-UHFFFAOYSA-N 2 1 351.539 1.354 20 30 FDEDMP Cn1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180168487 258363429 /nfs/dbraw/zinc/36/34/29/258363429.db2.gz YEYWLVDTVKQQSJ-UHFFFAOYSA-N 2 1 366.469 1.212 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000368417929 260180465 /nfs/dbraw/zinc/18/04/65/260180465.db2.gz VFJXWIUXFFHSGV-FRTACKCFSA-N 2 1 373.497 1.777 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000067846066 523608187 /nfs/dbraw/zinc/60/81/87/523608187.db2.gz IVAQCZRPPZDXMZ-SFHVURJKSA-N 2 1 369.509 1.869 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000067846066 523608201 /nfs/dbraw/zinc/60/82/01/523608201.db2.gz IVAQCZRPPZDXMZ-SFHVURJKSA-N 2 1 369.509 1.869 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961383 524492332 /nfs/dbraw/zinc/49/23/32/524492332.db2.gz ZPXZEDCDCYKGFS-LJQANCHMSA-N 2 1 350.507 1.618 20 30 FDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177496253 525300676 /nfs/dbraw/zinc/30/06/76/525300676.db2.gz QZRSPMXEZQLZNI-HDICACEKSA-N 2 1 364.534 1.960 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177512207 525302338 /nfs/dbraw/zinc/30/23/38/525302338.db2.gz ZGOXGTKXZKOIQQ-IYBDPMFKSA-N 2 1 366.506 1.210 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177512207 525302345 /nfs/dbraw/zinc/30/23/45/525302345.db2.gz ZGOXGTKXZKOIQQ-IYBDPMFKSA-N 2 1 366.506 1.210 20 30 FDEDMP C[C@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1Cl ZINC000154570385 525576843 /nfs/dbraw/zinc/57/68/43/525576843.db2.gz ICKXZLBKVYAASJ-KRWDZBQOSA-N 2 1 354.882 1.174 20 30 FDEDMP CN(CC[N@@H+](C)CCC(=O)Nc1sccc1C#N)C1CC[NH+](C)CC1 ZINC000180935431 525777986 /nfs/dbraw/zinc/77/79/86/525777986.db2.gz LSFJPFQOZJYDIT-UHFFFAOYSA-N 2 1 363.531 1.906 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182891052 535882272 /nfs/dbraw/zinc/88/22/72/535882272.db2.gz AJGSTNWDRHRHNU-OALUTQOASA-N 2 1 350.551 1.901 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182891052 535882274 /nfs/dbraw/zinc/88/22/74/535882274.db2.gz AJGSTNWDRHRHNU-OALUTQOASA-N 2 1 350.551 1.901 20 30 FDEDMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(Cc3ccc(C#N)cn3)C2)CC1 ZINC000575327477 550453759 /nfs/dbraw/zinc/45/37/59/550453759.db2.gz XLLNRGVFYGGUPV-IBGZPJMESA-N 2 1 355.486 1.719 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(CCC#N)CC2)C1 ZINC000592135796 551948009 /nfs/dbraw/zinc/94/80/09/551948009.db2.gz QHYGCCLDSRAOAE-GOSISDBHSA-N 2 1 350.507 1.475 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(CCC#N)CC2)C1 ZINC000592135798 551948064 /nfs/dbraw/zinc/94/80/64/551948064.db2.gz QHYGCCLDSRAOAE-SFHVURJKSA-N 2 1 350.507 1.475 20 30 FDEDMP N#CC[C@]1(O)CC[N@@H+](Cc2ccc(C[NH+]3CC[C@](O)(CC#N)C3)cc2)C1 ZINC000592149590 551950250 /nfs/dbraw/zinc/95/02/50/551950250.db2.gz RUWPGXRHIZFOIA-BGYRXZFFSA-N 2 1 354.454 1.388 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@](O)(CC#N)C3)cc2)C1 ZINC000592149590 551950251 /nfs/dbraw/zinc/95/02/51/551950251.db2.gz RUWPGXRHIZFOIA-BGYRXZFFSA-N 2 1 354.454 1.388 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](Cc2ccc(C[N@H+]3CC[C@](O)(CC#N)C3)cc2)C1 ZINC000592149590 551950252 /nfs/dbraw/zinc/95/02/52/551950252.db2.gz RUWPGXRHIZFOIA-BGYRXZFFSA-N 2 1 354.454 1.388 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000595909182 552631988 /nfs/dbraw/zinc/63/19/88/552631988.db2.gz QCDQIAASVAJECK-UHFFFAOYSA-N 2 1 374.489 1.068 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595909182 552631989 /nfs/dbraw/zinc/63/19/89/552631989.db2.gz QCDQIAASVAJECK-UHFFFAOYSA-N 2 1 374.489 1.068 20 30 FDEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600720543 553307114 /nfs/dbraw/zinc/30/71/14/553307114.db2.gz ZKHGBPJGTOZWLA-FQEVSTJZSA-N 2 1 356.514 1.968 20 30 FDEDMP N#Cc1cccc(OCCCn2cc(CC[NH+]3CCC([NH3+])CC3)nn2)c1 ZINC000603243143 553740905 /nfs/dbraw/zinc/74/09/05/553740905.db2.gz SHDGAFUBPBCRJE-UHFFFAOYSA-N 2 1 354.458 1.584 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000609166857 554345698 /nfs/dbraw/zinc/34/56/98/554345698.db2.gz GGCLMLDZDYEMDI-LJQANCHMSA-N 2 1 357.502 1.988 20 30 FDEDMP CC[NH+]=C(NCC1CCSCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000086916874 671484441 /nfs/dbraw/zinc/48/44/41/671484441.db2.gz CGTVKZHWLBNRSA-KRWDZBQOSA-N 2 1 354.564 1.749 20 30 FDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261766218 672668092 /nfs/dbraw/zinc/66/80/92/672668092.db2.gz OSGVHNJBDIJEOT-WMZOPIPTSA-N 2 1 352.523 1.157 20 30 FDEDMP C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261838076 672680755 /nfs/dbraw/zinc/68/07/55/672680755.db2.gz WAJCQZJPLVAGOL-AWEZNQCLSA-N 2 1 362.503 1.125 20 30 FDEDMP C[NH+]=C(NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261968295 672704283 /nfs/dbraw/zinc/70/42/83/672704283.db2.gz MAJKXKWNAQYNAS-OAHLLOKOSA-N 2 1 358.552 1.191 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000262023122 672713550 /nfs/dbraw/zinc/71/35/50/672713550.db2.gz ZEMNSNHSMVOTOP-UONOGXRCSA-N 2 1 350.898 1.430 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000262355693 672775988 /nfs/dbraw/zinc/77/59/88/672775988.db2.gz FVKYGFAVCUZZNR-IAGOWNOFSA-N 2 1 370.563 1.337 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000262355693 672775993 /nfs/dbraw/zinc/77/59/93/672775993.db2.gz FVKYGFAVCUZZNR-IAGOWNOFSA-N 2 1 370.563 1.337 20 30 FDEDMP CC1(C)C[N@@H+](C2(CNC(=[NH2+])NC[C@H]3CCCO3)CCCCC2)CCO1 ZINC000263154291 672864122 /nfs/dbraw/zinc/86/41/22/672864122.db2.gz MOKHXRSHJYGKRJ-MRXNPFEDSA-N 2 1 352.523 1.883 20 30 FDEDMP CC1(C)C[N@H+](C2(CNC(=[NH2+])NC[C@H]3CCCO3)CCCCC2)CCO1 ZINC000263154291 672864132 /nfs/dbraw/zinc/86/41/32/672864132.db2.gz MOKHXRSHJYGKRJ-MRXNPFEDSA-N 2 1 352.523 1.883 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000303971859 676543938 /nfs/dbraw/zinc/54/39/38/676543938.db2.gz FFJAOXBPADMRAV-HNNXBMFYSA-N 2 1 353.511 1.775 20 30 FDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccc(Cl)cc1 ZINC000304744970 676544297 /nfs/dbraw/zinc/54/42/97/676544297.db2.gz YEXIEQJTBNXHGX-CQSZACIVSA-N 2 1 354.882 1.734 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCSC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000329014269 676616141 /nfs/dbraw/zinc/61/61/41/676616141.db2.gz JJALPJVLURXPOE-RRFJBIMHSA-N 2 1 354.520 1.075 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CSCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC000329014269 676616143 /nfs/dbraw/zinc/61/61/43/676616143.db2.gz JJALPJVLURXPOE-RRFJBIMHSA-N 2 1 354.520 1.075 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CSCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC000329014269 676616145 /nfs/dbraw/zinc/61/61/45/676616145.db2.gz JJALPJVLURXPOE-RRFJBIMHSA-N 2 1 354.520 1.075 20 30 FDEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330190101 676677415 /nfs/dbraw/zinc/67/74/15/676677415.db2.gz VWSCREAOKOPNMU-TVFCKZIOSA-N 2 1 350.507 1.495 20 30 FDEDMP C[N@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)C1 ZINC000330227770 676679680 /nfs/dbraw/zinc/67/96/80/676679680.db2.gz VBDYDSLHGOZGBA-LMMKCTJWSA-N 2 1 350.507 1.306 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000469793325 684986313 /nfs/dbraw/zinc/98/63/13/684986313.db2.gz CXOWDEPZVBZNLX-ULQDDVLXSA-N 2 1 350.507 1.664 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000469793325 684986315 /nfs/dbraw/zinc/98/63/15/684986315.db2.gz CXOWDEPZVBZNLX-ULQDDVLXSA-N 2 1 350.507 1.664 20 30 FDEDMP C=CCCn1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000657493951 783139273 /nfs/dbraw/zinc/13/92/73/783139273.db2.gz BFWYKFKWHSVJOB-UHFFFAOYSA-N 2 1 355.486 1.971 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000364347616 795795890 /nfs/dbraw/zinc/79/58/90/795795890.db2.gz OFEMHFXWDBFHDS-SQNIBIBYSA-N 2 1 362.518 1.808 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000364347616 795795895 /nfs/dbraw/zinc/79/58/95/795795895.db2.gz OFEMHFXWDBFHDS-SQNIBIBYSA-N 2 1 362.518 1.808 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001026852806 800007450 /nfs/dbraw/zinc/00/74/50/800007450.db2.gz QUQSOICVTCMIBO-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261764765 810762818 /nfs/dbraw/zinc/76/28/18/810762818.db2.gz OQCQSKGDEFKMHR-XDNAFOTISA-N 2 1 364.534 1.420 20 30 FDEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000261935027 811347808 /nfs/dbraw/zinc/34/78/08/811347808.db2.gz CEYXMFCRXMDHTN-RDJZCZTQSA-N 2 1 367.501 1.552 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000272993814 814785483 /nfs/dbraw/zinc/78/54/83/814785483.db2.gz SYXZCCGNEDZZLE-RTBURBONSA-N 3 1 359.518 1.142 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272993814 814785484 /nfs/dbraw/zinc/78/54/84/814785484.db2.gz SYXZCCGNEDZZLE-RTBURBONSA-N 3 1 359.518 1.142 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272993814 814785485 /nfs/dbraw/zinc/78/54/85/814785485.db2.gz SYXZCCGNEDZZLE-RTBURBONSA-N 3 1 359.518 1.142 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1 ZINC001075798546 820436414 /nfs/dbraw/zinc/43/64/14/820436414.db2.gz FNSXBMDROQKRKI-ZYSHUDEJSA-N 2 1 370.522 1.994 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1 ZINC001075798546 820436420 /nfs/dbraw/zinc/43/64/20/820436420.db2.gz FNSXBMDROQKRKI-ZYSHUDEJSA-N 2 1 370.522 1.994 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087836933 822547020 /nfs/dbraw/zinc/54/70/20/822547020.db2.gz NFUJDOPYWAIKII-ZCNNSNEGSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087836933 822547021 /nfs/dbraw/zinc/54/70/21/822547021.db2.gz NFUJDOPYWAIKII-ZCNNSNEGSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087836933 822547023 /nfs/dbraw/zinc/54/70/23/822547023.db2.gz NFUJDOPYWAIKII-ZCNNSNEGSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087836933 822547024 /nfs/dbraw/zinc/54/70/24/822547024.db2.gz NFUJDOPYWAIKII-ZCNNSNEGSA-N 2 1 370.497 1.748 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001087920491 823877067 /nfs/dbraw/zinc/87/70/67/823877067.db2.gz QWJILVWAJZEIIG-HSALFYBXSA-N 2 1 368.481 1.169 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001087920491 823877080 /nfs/dbraw/zinc/87/70/80/823877080.db2.gz QWJILVWAJZEIIG-HSALFYBXSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001087920491 823877090 /nfs/dbraw/zinc/87/70/90/823877090.db2.gz QWJILVWAJZEIIG-HSALFYBXSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001087920491 823877100 /nfs/dbraw/zinc/87/71/00/823877100.db2.gz QWJILVWAJZEIIG-HSALFYBXSA-N 2 1 368.481 1.169 20 30 FDEDMP C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000329815675 825478272 /nfs/dbraw/zinc/47/82/72/825478272.db2.gz NWQKSALXVSXHBJ-WBVHZDCISA-N 2 1 360.506 1.320 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047150 825590354 /nfs/dbraw/zinc/59/03/54/825590354.db2.gz IPRUKTCUSSCDCO-TUKJNDCMSA-N 2 1 359.514 1.596 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047150 825590361 /nfs/dbraw/zinc/59/03/61/825590361.db2.gz IPRUKTCUSSCDCO-TUKJNDCMSA-N 2 1 359.514 1.596 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047150 825590365 /nfs/dbraw/zinc/59/03/65/825590365.db2.gz IPRUKTCUSSCDCO-TUKJNDCMSA-N 2 1 359.514 1.596 20 30 FDEDMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC[C@H]21 ZINC000330221159 825739826 /nfs/dbraw/zinc/73/98/26/825739826.db2.gz LJCWABDVBZYLOK-OWYHZJEWSA-N 2 1 364.534 1.694 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112178888 827169755 /nfs/dbraw/zinc/16/97/55/827169755.db2.gz JSGYQSMFPKYNCN-HUUCEWRRSA-N 2 1 363.424 1.654 20 30 FDEDMP COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C#N ZINC000448550163 829178724 /nfs/dbraw/zinc/17/87/24/829178724.db2.gz RABYTKMMTOXAPA-WMZOPIPTSA-N 2 1 356.470 1.647 20 30 FDEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)c1 ZINC000303878172 830333281 /nfs/dbraw/zinc/33/32/81/830333281.db2.gz JAXUPTMUMAQRIM-UHFFFAOYSA-N 2 1 363.506 1.848 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105641866 842307170 /nfs/dbraw/zinc/30/71/70/842307170.db2.gz FJMOTEDJLSBQGO-PDOICOKGSA-N 2 1 351.535 1.869 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C)C(C)C ZINC000480513449 845374917 /nfs/dbraw/zinc/37/49/17/845374917.db2.gz CXUAOSUQKYDNQN-GUDVDZBRSA-N 2 1 366.550 1.782 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105676280 845886010 /nfs/dbraw/zinc/88/60/10/845886010.db2.gz VDQGICHYKAISMG-JYBIWHBTSA-N 2 1 351.535 1.869 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000481881126 847068179 /nfs/dbraw/zinc/06/81/79/847068179.db2.gz ZDVPIDMIJUFAJL-DLBZAZTESA-N 2 1 364.534 1.380 20 30 FDEDMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076242639 847665513 /nfs/dbraw/zinc/66/55/13/847665513.db2.gz MCWLOIWYMVJWAS-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076242639 847665520 /nfs/dbraw/zinc/66/55/20/847665520.db2.gz MCWLOIWYMVJWAS-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076242639 847665529 /nfs/dbraw/zinc/66/55/29/847665529.db2.gz MCWLOIWYMVJWAS-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076242639 847665534 /nfs/dbraw/zinc/66/55/34/847665534.db2.gz MCWLOIWYMVJWAS-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076457478 848180359 /nfs/dbraw/zinc/18/03/59/848180359.db2.gz FQUODGCSWGTHEN-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076457478 848180364 /nfs/dbraw/zinc/18/03/64/848180364.db2.gz FQUODGCSWGTHEN-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001076457478 848180374 /nfs/dbraw/zinc/18/03/74/848180374.db2.gz FQUODGCSWGTHEN-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452235 852901394 /nfs/dbraw/zinc/90/13/94/852901394.db2.gz NNRUYBGCXXDIOB-MOPGFXCFSA-N 2 1 357.502 1.011 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668835882 857528817 /nfs/dbraw/zinc/52/88/17/857528817.db2.gz LPHRSMKWHNTHGW-KRWDZBQOSA-N 2 1 362.518 1.276 20 30 FDEDMP C=CCCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911324942 858465086 /nfs/dbraw/zinc/46/50/86/858465086.db2.gz NCSMIDHKKROHOG-HDICACEKSA-N 2 1 362.518 1.276 20 30 FDEDMP C=CCCCCCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911324942 858465092 /nfs/dbraw/zinc/46/50/92/858465092.db2.gz NCSMIDHKKROHOG-HDICACEKSA-N 2 1 362.518 1.276 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H]2C)cc1C#N ZINC001089037722 866207442 /nfs/dbraw/zinc/20/74/42/866207442.db2.gz OTVICXJOYIGRPN-HFTRVMKXSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)[C@H]2C)cc1C#N ZINC001089037722 866207458 /nfs/dbraw/zinc/20/74/58/866207458.db2.gz OTVICXJOYIGRPN-HFTRVMKXSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1C#N ZINC001089037722 866207477 /nfs/dbraw/zinc/20/74/77/866207477.db2.gz OTVICXJOYIGRPN-HFTRVMKXSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1C#N ZINC001089037722 866207495 /nfs/dbraw/zinc/20/74/95/866207495.db2.gz OTVICXJOYIGRPN-HFTRVMKXSA-N 2 1 356.470 1.598 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC2CCC2)[C@H](C)C1 ZINC001106266544 874261780 /nfs/dbraw/zinc/26/17/80/874261780.db2.gz PRQVLYSTEACWEH-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC2CCC2)[C@H](C)C1 ZINC001106266544 874261794 /nfs/dbraw/zinc/26/17/94/874261794.db2.gz PRQVLYSTEACWEH-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106353773 874879069 /nfs/dbraw/zinc/87/90/69/874879069.db2.gz DRGNIMPEWRHHOX-HUUCEWRRSA-N 2 1 350.463 1.237 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106590888 876056674 /nfs/dbraw/zinc/05/66/74/876056674.db2.gz CYKIFINKDOARQK-KBAYOESNSA-N 2 1 358.486 1.088 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001129043105 885515183 /nfs/dbraw/zinc/51/51/83/885515183.db2.gz HLLLIEWKGDMTCX-ZACQAIPSSA-N 2 1 369.473 1.360 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001129043105 885515186 /nfs/dbraw/zinc/51/51/86/885515186.db2.gz HLLLIEWKGDMTCX-ZACQAIPSSA-N 2 1 369.473 1.360 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103561 885701347 /nfs/dbraw/zinc/70/13/47/885701347.db2.gz MOUWZAVGYATRFA-UAGQMJEPSA-N 2 1 357.462 1.179 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103561 885701354 /nfs/dbraw/zinc/70/13/54/885701354.db2.gz MOUWZAVGYATRFA-UAGQMJEPSA-N 2 1 357.462 1.179 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923555284 889771832 /nfs/dbraw/zinc/77/18/32/889771832.db2.gz UHCGAOOWEQYGFJ-HZPDHXFCSA-N 2 1 366.506 1.045 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923555284 889771841 /nfs/dbraw/zinc/77/18/41/889771841.db2.gz UHCGAOOWEQYGFJ-HZPDHXFCSA-N 2 1 366.506 1.045 20 30 FDEDMP C=CCN1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC2)C1 ZINC000941578527 895331341 /nfs/dbraw/zinc/33/13/41/895331341.db2.gz LHNVSXCQRCCQSP-RTWAWAEBSA-N 2 1 368.525 1.346 20 30 FDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CC2)C1 ZINC000941578527 895331358 /nfs/dbraw/zinc/33/13/58/895331358.db2.gz LHNVSXCQRCCQSP-RTWAWAEBSA-N 2 1 368.525 1.346 20 30 FDEDMP C=CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)CC2)C1 ZINC000941578527 895331375 /nfs/dbraw/zinc/33/13/75/895331375.db2.gz LHNVSXCQRCCQSP-RTWAWAEBSA-N 2 1 368.525 1.346 20 30 FDEDMP C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)n1 ZINC001128106842 896955349 /nfs/dbraw/zinc/95/53/49/896955349.db2.gz GXCPPZIQILVEMG-CEXWTWQISA-N 2 1 369.513 1.230 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](CC)c3ccccc3)C[C@H]2O)CC1 ZINC001078227168 898429569 /nfs/dbraw/zinc/42/95/69/898429569.db2.gz MFHBDFSILQVMFP-NJDAHSKKSA-N 2 1 369.509 1.644 20 30 FDEDMP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079135810 902002815 /nfs/dbraw/zinc/00/28/15/902002815.db2.gz OGVRTCRTZMTYAU-CWJKEVGVSA-N 2 1 369.509 1.424 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135810 902002821 /nfs/dbraw/zinc/00/28/21/902002821.db2.gz OGVRTCRTZMTYAU-CWJKEVGVSA-N 2 1 369.509 1.424 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135810 902002831 /nfs/dbraw/zinc/00/28/31/902002831.db2.gz OGVRTCRTZMTYAU-CWJKEVGVSA-N 2 1 369.509 1.424 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079251321 902271965 /nfs/dbraw/zinc/27/19/65/902271965.db2.gz QIRMSSILTKLRHN-ZWKOTPCHSA-N 2 1 358.486 1.707 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726172 903144437 /nfs/dbraw/zinc/14/44/37/903144437.db2.gz GSAIMHPIXFDFSV-XNFNUYLZSA-N 2 1 357.473 1.954 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726172 903144442 /nfs/dbraw/zinc/14/44/42/903144442.db2.gz GSAIMHPIXFDFSV-XNFNUYLZSA-N 2 1 357.473 1.954 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726172 903144454 /nfs/dbraw/zinc/14/44/54/903144454.db2.gz GSAIMHPIXFDFSV-XNFNUYLZSA-N 2 1 357.473 1.954 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726172 903144458 /nfs/dbraw/zinc/14/44/58/903144458.db2.gz GSAIMHPIXFDFSV-XNFNUYLZSA-N 2 1 357.473 1.954 20 30 FDEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000996775180 905312565 /nfs/dbraw/zinc/31/25/65/905312565.db2.gz DVANJMCACOMISU-GHBBCFCZSA-N 2 1 360.546 1.395 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779341 906242829 /nfs/dbraw/zinc/24/28/29/906242829.db2.gz KMUQSZCSYRJIDQ-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080779341 906242848 /nfs/dbraw/zinc/24/28/48/906242848.db2.gz KMUQSZCSYRJIDQ-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080779341 906242864 /nfs/dbraw/zinc/24/28/64/906242864.db2.gz KMUQSZCSYRJIDQ-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001127838641 906574702 /nfs/dbraw/zinc/57/47/02/906574702.db2.gz BNRLTMNORPTFOI-BHIYHBOVSA-N 2 1 369.513 1.230 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326258 906904451 /nfs/dbraw/zinc/90/44/51/906904451.db2.gz VUFBQODZZKTDLA-IPMKNSEASA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326258 906904461 /nfs/dbraw/zinc/90/44/61/906904461.db2.gz VUFBQODZZKTDLA-IPMKNSEASA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326258 906904478 /nfs/dbraw/zinc/90/44/78/906904478.db2.gz VUFBQODZZKTDLA-IPMKNSEASA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326258 906904480 /nfs/dbraw/zinc/90/44/80/906904480.db2.gz VUFBQODZZKTDLA-IPMKNSEASA-N 2 1 356.470 1.215 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3oc(C)nc3C)C[C@H]2C)CC1 ZINC001080997722 906972109 /nfs/dbraw/zinc/97/21/09/906972109.db2.gz JVOOVHDPWCURHP-RDTXWAMCSA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001082567909 908704632 /nfs/dbraw/zinc/70/46/32/908704632.db2.gz KUMWJFFBSSRRIM-OLMNPRSZSA-N 2 1 361.436 1.999 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(F)c2F)C1 ZINC001082567909 908704642 /nfs/dbraw/zinc/70/46/42/908704642.db2.gz KUMWJFFBSSRRIM-OLMNPRSZSA-N 2 1 361.436 1.999 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001082568675 908713248 /nfs/dbraw/zinc/71/32/48/908713248.db2.gz LQXHIKHNCPBDLS-OIISXLGYSA-N 2 1 363.893 1.071 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC001082568675 908713261 /nfs/dbraw/zinc/71/32/61/908713261.db2.gz LQXHIKHNCPBDLS-OIISXLGYSA-N 2 1 363.893 1.071 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001082646200 909309532 /nfs/dbraw/zinc/30/95/32/909309532.db2.gz CHTQOQFCYKVNFN-RDTXWAMCSA-N 2 1 367.453 1.709 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@H]2C)cc1C#N ZINC001082740776 909936794 /nfs/dbraw/zinc/93/67/94/909936794.db2.gz GGNBLSHPKXKTMO-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082861832 910523239 /nfs/dbraw/zinc/52/32/39/910523239.db2.gz PZEHHLFKSKVDOU-ZRGWGRIASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000998982140 911931526 /nfs/dbraw/zinc/93/15/26/911931526.db2.gz AGDJSCVGPYHFHV-YOODTLSXSA-N 2 1 356.470 1.356 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000998982140 911931529 /nfs/dbraw/zinc/93/15/29/911931529.db2.gz AGDJSCVGPYHFHV-YOODTLSXSA-N 2 1 356.470 1.356 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957559 918840657 /nfs/dbraw/zinc/84/06/57/918840657.db2.gz GUCOYVIOOXCREV-RLLQIKCJSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957559 918840666 /nfs/dbraw/zinc/84/06/66/918840666.db2.gz GUCOYVIOOXCREV-RLLQIKCJSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957559 918840684 /nfs/dbraw/zinc/84/06/84/918840684.db2.gz GUCOYVIOOXCREV-RLLQIKCJSA-N 2 1 359.514 1.576 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092956 920811751 /nfs/dbraw/zinc/81/17/51/920811751.db2.gz XRQYRBIKNQGDFZ-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092956 920811766 /nfs/dbraw/zinc/81/17/66/920811766.db2.gz XRQYRBIKNQGDFZ-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092956 920811773 /nfs/dbraw/zinc/81/17/73/920811773.db2.gz XRQYRBIKNQGDFZ-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)n1 ZINC001085229645 922982258 /nfs/dbraw/zinc/98/22/58/922982258.db2.gz CMJUCGIZNDUBKB-QRVBRYPASA-N 2 1 370.497 1.705 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OC)n1 ZINC001085229645 922982266 /nfs/dbraw/zinc/98/22/66/922982266.db2.gz CMJUCGIZNDUBKB-QRVBRYPASA-N 2 1 370.497 1.705 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)nc1 ZINC001085230003 922984975 /nfs/dbraw/zinc/98/49/75/922984975.db2.gz WEOAWILSEQEXCM-QRVBRYPASA-N 2 1 355.486 1.400 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(C)nc1 ZINC001085230003 922984982 /nfs/dbraw/zinc/98/49/82/922984982.db2.gz WEOAWILSEQEXCM-QRVBRYPASA-N 2 1 355.486 1.400 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000741206040 925630129 /nfs/dbraw/zinc/63/01/29/925630129.db2.gz VJERWTMZBOIZCG-NQIIRXRSSA-N 2 1 369.509 1.737 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000741206040 925630145 /nfs/dbraw/zinc/63/01/45/925630145.db2.gz VJERWTMZBOIZCG-NQIIRXRSSA-N 2 1 369.509 1.737 20 30 FDEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086624981 938507803 /nfs/dbraw/zinc/50/78/03/938507803.db2.gz DQJGQZROPZYINA-XUVXKRRUSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086624981 938507805 /nfs/dbraw/zinc/50/78/05/938507805.db2.gz DQJGQZROPZYINA-XUVXKRRUSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001086624981 938507806 /nfs/dbraw/zinc/50/78/06/938507806.db2.gz DQJGQZROPZYINA-XUVXKRRUSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001086624981 938507808 /nfs/dbraw/zinc/50/78/08/938507808.db2.gz DQJGQZROPZYINA-XUVXKRRUSA-N 2 1 355.482 1.315 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892373 938543272 /nfs/dbraw/zinc/54/32/72/938543272.db2.gz ULVXGUFYQDAZLW-QRVBRYPASA-N 2 1 370.501 1.050 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130041053 938627463 /nfs/dbraw/zinc/62/74/63/938627463.db2.gz ZPBSXYBDWDPOAN-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130083607 938664954 /nfs/dbraw/zinc/66/49/54/938664954.db2.gz CQVIAJVCNMAYDG-CEXWTWQISA-N 2 1 368.485 1.499 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001130607711 939919335 /nfs/dbraw/zinc/91/93/35/939919335.db2.gz LHTYCKUDWXWVQP-PKOBYXMFSA-N 2 1 359.518 1.755 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001130608005 939920049 /nfs/dbraw/zinc/92/00/49/939920049.db2.gz WIOVLPBTNMUVBD-JQHSSLGASA-N 2 1 366.469 1.102 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687840 939977929 /nfs/dbraw/zinc/97/79/29/939977929.db2.gz SUIMVBSYODRURO-DFQSSKMNSA-N 2 1 371.529 1.590 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131082121 940487838 /nfs/dbraw/zinc/48/78/38/940487838.db2.gz JLRFDIJRRGJNRZ-GUDVDZBRSA-N 2 1 371.529 1.590 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cncn1C ZINC001131082344 940488063 /nfs/dbraw/zinc/48/80/63/940488063.db2.gz NSJHWRAPYFZKIV-IAGOWNOFSA-N 2 1 368.485 1.348 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130336 940510979 /nfs/dbraw/zinc/51/09/79/940510979.db2.gz HARSAGVACOFZQK-KZNAEPCWSA-N 2 1 361.534 1.999 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316757 940551010 /nfs/dbraw/zinc/55/10/10/940551010.db2.gz UPTYTYFKQIBHBV-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316757 940551011 /nfs/dbraw/zinc/55/10/11/940551011.db2.gz UPTYTYFKQIBHBV-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316757 940551012 /nfs/dbraw/zinc/55/10/12/940551012.db2.gz UPTYTYFKQIBHBV-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000819060830 943400100 /nfs/dbraw/zinc/40/01/00/943400100.db2.gz IOORQHIHVDZRES-FPOVZHCZSA-N 2 1 373.497 1.725 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(O[C@@H]2CCC[NH2+]C2)nn1 ZINC001171070712 946853538 /nfs/dbraw/zinc/85/35/38/946853538.db2.gz ILKVWPCHPJTDMD-CABCVRRESA-N 2 1 363.462 1.246 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC)C1 ZINC001090874163 947522177 /nfs/dbraw/zinc/52/21/77/947522177.db2.gz CSFSUWVLAHNMBW-ZCNNSNEGSA-N 2 1 355.482 1.697 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC)C1 ZINC001090874163 947522187 /nfs/dbraw/zinc/52/21/87/947522187.db2.gz CSFSUWVLAHNMBW-ZCNNSNEGSA-N 2 1 355.482 1.697 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001091544200 951982529 /nfs/dbraw/zinc/98/25/29/951982529.db2.gz WHNHEWGMQRZRLB-BJZITVGISA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001091544200 951982532 /nfs/dbraw/zinc/98/25/32/951982532.db2.gz WHNHEWGMQRZRLB-BJZITVGISA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001091544200 951982537 /nfs/dbraw/zinc/98/25/37/951982537.db2.gz WHNHEWGMQRZRLB-BJZITVGISA-N 2 1 358.511 1.994 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001086880890 952911490 /nfs/dbraw/zinc/91/14/90/952911490.db2.gz UNQCBXYMMAZZQE-ZCNNSNEGSA-N 2 1 370.497 1.653 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001086880890 952911491 /nfs/dbraw/zinc/91/14/91/952911491.db2.gz UNQCBXYMMAZZQE-ZCNNSNEGSA-N 2 1 370.497 1.653 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001086880792 952911551 /nfs/dbraw/zinc/91/15/51/952911551.db2.gz OXFZDNPWPXRIGJ-XUVXKRRUSA-N 2 1 370.497 1.653 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001086880792 952911553 /nfs/dbraw/zinc/91/15/53/952911553.db2.gz OXFZDNPWPXRIGJ-XUVXKRRUSA-N 2 1 370.497 1.653 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCC2CC2)C1 ZINC001086983154 952996648 /nfs/dbraw/zinc/99/66/48/952996648.db2.gz ZQAHFAGHFSAHIS-ZCNNSNEGSA-N 2 1 369.513 1.202 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCC2CC2)C1 ZINC001086983154 952996650 /nfs/dbraw/zinc/99/66/50/952996650.db2.gz ZQAHFAGHFSAHIS-ZCNNSNEGSA-N 2 1 369.513 1.202 20 30 FDEDMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001092275948 954670829 /nfs/dbraw/zinc/67/08/29/954670829.db2.gz XUGBLWQTQVYPQP-CTNGQTDRSA-N 2 1 352.482 1.934 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504264 955275544 /nfs/dbraw/zinc/27/55/44/955275544.db2.gz JWLJYUXTLBKXFW-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504264 955275548 /nfs/dbraw/zinc/27/55/48/955275548.db2.gz JWLJYUXTLBKXFW-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504264 955275560 /nfs/dbraw/zinc/27/55/60/955275560.db2.gz JWLJYUXTLBKXFW-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C=CCOCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001197657438 972339454 /nfs/dbraw/zinc/33/94/54/972339454.db2.gz HPKRLWOZGNWTRE-KZNAEPCWSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CCCC)C1 ZINC001197657438 972339463 /nfs/dbraw/zinc/33/94/63/972339463.db2.gz HPKRLWOZGNWTRE-KZNAEPCWSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001197657438 972339468 /nfs/dbraw/zinc/33/94/68/972339468.db2.gz HPKRLWOZGNWTRE-KZNAEPCWSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2CCCC)C1 ZINC001197657438 972339473 /nfs/dbraw/zinc/33/94/73/972339473.db2.gz HPKRLWOZGNWTRE-KZNAEPCWSA-N 2 1 353.507 1.005 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(F)c2)[C@H](C)C1 ZINC001093832944 958927374 /nfs/dbraw/zinc/92/73/74/958927374.db2.gz JZVIESKAUBHPJM-SUMDDJOVSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(F)c2)[C@H](C)C1 ZINC001093832944 958927380 /nfs/dbraw/zinc/92/73/80/958927380.db2.gz JZVIESKAUBHPJM-SUMDDJOVSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ncn2)[C@H](C)C1 ZINC001093833099 958928321 /nfs/dbraw/zinc/92/83/21/958928321.db2.gz RMMOZBJBEXHMFQ-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C)ncn2)[C@H](C)C1 ZINC001093833099 958928325 /nfs/dbraw/zinc/92/83/25/958928325.db2.gz RMMOZBJBEXHMFQ-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094220005 960040664 /nfs/dbraw/zinc/04/06/64/960040664.db2.gz ZUOBEQWDCYKAFK-ZTFGCOKTSA-N 2 1 358.461 1.833 20 30 FDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001183043696 962756336 /nfs/dbraw/zinc/75/63/36/962756336.db2.gz VYKQIZMOSYOFRZ-UXHICEINSA-N 2 1 370.497 1.535 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784009 964102129 /nfs/dbraw/zinc/10/21/29/964102129.db2.gz OHPGAQCJZXRWIK-AQNXPRMDSA-N 2 1 355.482 1.172 20 30 FDEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205688 966123684 /nfs/dbraw/zinc/12/36/84/966123684.db2.gz RMGJLSXNAZDSKE-OKZBNKHCSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205688 966123690 /nfs/dbraw/zinc/12/36/90/966123690.db2.gz RMGJLSXNAZDSKE-OKZBNKHCSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205688 966123695 /nfs/dbraw/zinc/12/36/95/966123695.db2.gz RMGJLSXNAZDSKE-OKZBNKHCSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205688 966123699 /nfs/dbraw/zinc/12/36/99/966123699.db2.gz RMGJLSXNAZDSKE-OKZBNKHCSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405524 966298626 /nfs/dbraw/zinc/29/86/26/966298626.db2.gz KFXSKQMVBRERMP-PKOBYXMFSA-N 2 1 358.486 1.643 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189667691 967131793 /nfs/dbraw/zinc/13/17/93/967131793.db2.gz IFLWIUMWSUCXLA-ZWKOTPCHSA-N 2 1 362.518 1.062 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189667691 967131797 /nfs/dbraw/zinc/13/17/97/967131797.db2.gz IFLWIUMWSUCXLA-ZWKOTPCHSA-N 2 1 362.518 1.062 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189667691 967131804 /nfs/dbraw/zinc/13/18/04/967131804.db2.gz IFLWIUMWSUCXLA-ZWKOTPCHSA-N 2 1 362.518 1.062 20 30 FDEDMP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000852873488 967680109 /nfs/dbraw/zinc/68/01/09/967680109.db2.gz WKPTWRUMKAGFGX-GOSISDBHSA-N 2 1 354.498 1.316 20 30 FDEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000852887258 967690296 /nfs/dbraw/zinc/69/02/96/967690296.db2.gz JLAXVGHZKCDMNW-HXUWFJFHSA-N 2 1 355.482 1.397 20 30 FDEDMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CCCC1 ZINC001194996754 970596740 /nfs/dbraw/zinc/59/67/40/970596740.db2.gz FOZMRDBPYKUVFI-RTBURBONSA-N 2 1 370.497 1.484 20 30 FDEDMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CCCC1 ZINC001194996754 970596744 /nfs/dbraw/zinc/59/67/44/970596744.db2.gz FOZMRDBPYKUVFI-RTBURBONSA-N 2 1 370.497 1.484 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCO1 ZINC000775794167 972533424 /nfs/dbraw/zinc/53/34/24/972533424.db2.gz PVCHUSDYICZLCZ-NHCUHLMSSA-N 2 1 369.509 1.800 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCO1 ZINC000775794167 972533432 /nfs/dbraw/zinc/53/34/32/972533432.db2.gz PVCHUSDYICZLCZ-NHCUHLMSSA-N 2 1 369.509 1.800 20 30 FDEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555980 974823436 /nfs/dbraw/zinc/82/34/36/974823436.db2.gz VKCCHWKFIFYUPD-OKZBNKHCSA-N 2 1 353.507 1.126 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC#Cc3ccccc3)CC2)O1 ZINC001201230809 974974940 /nfs/dbraw/zinc/97/49/40/974974940.db2.gz WANNUQBWDKPKDQ-YLJYHZDGSA-N 2 1 355.482 1.338 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC#Cc3ccccc3)CC2)O1 ZINC001201230809 974974942 /nfs/dbraw/zinc/97/49/42/974974942.db2.gz WANNUQBWDKPKDQ-YLJYHZDGSA-N 2 1 355.482 1.338 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594515 977805334 /nfs/dbraw/zinc/80/53/34/977805334.db2.gz DNXDWYBGICMMRO-MOPGFXCFSA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594515 977805338 /nfs/dbraw/zinc/80/53/38/977805338.db2.gz DNXDWYBGICMMRO-MOPGFXCFSA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849594515 977805345 /nfs/dbraw/zinc/80/53/45/977805345.db2.gz DNXDWYBGICMMRO-MOPGFXCFSA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594518 977805579 /nfs/dbraw/zinc/80/55/79/977805579.db2.gz DNXDWYBGICMMRO-RTBURBONSA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594518 977805591 /nfs/dbraw/zinc/80/55/91/977805591.db2.gz DNXDWYBGICMMRO-RTBURBONSA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594518 977805598 /nfs/dbraw/zinc/80/55/98/977805598.db2.gz DNXDWYBGICMMRO-RTBURBONSA-N 2 1 359.518 1.305 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000884181618 982957401 /nfs/dbraw/zinc/95/74/01/982957401.db2.gz KRJSSCLMPYDJSN-SCCNAQOGSA-N 2 1 352.482 1.513 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368332622 988989339 /nfs/dbraw/zinc/98/93/39/988989339.db2.gz OORYCKKIODZZPY-HXUWFJFHSA-N 2 1 363.550 1.390 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000371295541 990343861 /nfs/dbraw/zinc/34/38/61/990343861.db2.gz SHBNRVXUKNEYJE-BWPNAZKDSA-N 2 1 359.470 1.481 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)COc1ccc(C#N)cc1 ZINC000371295541 990343866 /nfs/dbraw/zinc/34/38/66/990343866.db2.gz SHBNRVXUKNEYJE-BWPNAZKDSA-N 2 1 359.470 1.481 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876772277 992895106 /nfs/dbraw/zinc/89/51/06/992895106.db2.gz KSIPARONRYGTFP-PVAVHDDUSA-N 2 1 351.878 1.862 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876772277 992895112 /nfs/dbraw/zinc/89/51/12/992895112.db2.gz KSIPARONRYGTFP-PVAVHDDUSA-N 2 1 351.878 1.862 20 30 FDEDMP C[C@@H](O)[C@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393066 993938434 /nfs/dbraw/zinc/93/84/34/993938434.db2.gz ZVBGXCVTSKTWEA-IFCLKOLQSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393066 993938437 /nfs/dbraw/zinc/93/84/37/993938437.db2.gz ZVBGXCVTSKTWEA-IFCLKOLQSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393066 993938439 /nfs/dbraw/zinc/93/84/39/993938439.db2.gz ZVBGXCVTSKTWEA-IFCLKOLQSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880264464 995767952 /nfs/dbraw/zinc/76/79/52/995767952.db2.gz WVPPFBPYDCRKNU-APWZRJJASA-N 2 1 352.438 1.904 20 30 FDEDMP C[NH+]=C(NCc1ccco1)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264029495 997384630 /nfs/dbraw/zinc/38/46/30/997384630.db2.gz CUCBUOSXYPADRW-UHFFFAOYSA-N 2 1 355.486 1.892 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264069115 997395891 /nfs/dbraw/zinc/39/58/91/997395891.db2.gz FUDYWZSZQSKFEU-HXUWFJFHSA-N 3 1 372.561 1.323 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264069115 997395895 /nfs/dbraw/zinc/39/58/95/997395895.db2.gz FUDYWZSZQSKFEU-HXUWFJFHSA-N 3 1 372.561 1.323 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000264069115 997395899 /nfs/dbraw/zinc/39/58/99/997395899.db2.gz FUDYWZSZQSKFEU-HXUWFJFHSA-N 3 1 372.561 1.323 20 30 FDEDMP C[NH+]1CCC([C@H]2CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000270032263 999502386 /nfs/dbraw/zinc/50/23/86/999502386.db2.gz DRAWZFAQYIRRPA-PKOBYXMFSA-N 2 1 366.465 1.854 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001111277318 1002471788 /nfs/dbraw/zinc/47/17/88/1002471788.db2.gz LQDKFSIRWPXMDK-AQNXPRMDSA-N 2 1 355.482 1.338 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001111277318 1002471798 /nfs/dbraw/zinc/47/17/98/1002471798.db2.gz LQDKFSIRWPXMDK-AQNXPRMDSA-N 2 1 355.482 1.338 20 30 FDEDMP N#Cc1ccc(N2CC[C@H]([NH+]3CCC(C[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000103482206 172368271 /nfs/dbraw/zinc/36/82/71/172368271.db2.gz QEFQMFPZKTWVEP-FQEVSTJZSA-N 2 1 368.481 1.708 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000553395535 543625618 /nfs/dbraw/zinc/62/56/18/543625618.db2.gz KROHLZARAUWREM-WMZOPIPTSA-N 2 1 364.534 1.474 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2CC)CC1 ZINC000553669658 543677880 /nfs/dbraw/zinc/67/78/80/543677880.db2.gz YISYBRFXFLICOM-QGZVFWFLSA-N 2 1 373.501 1.203 20 30 FDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1 ZINC000083031837 524233460 /nfs/dbraw/zinc/23/34/60/524233460.db2.gz XAUWZYCHQDAPMG-GOSISDBHSA-N 2 1 359.518 1.832 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177512225 525302211 /nfs/dbraw/zinc/30/22/11/525302211.db2.gz ZGOXGTKXZKOIQQ-HOTGVXAUSA-N 2 1 366.506 1.210 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132015597 525928434 /nfs/dbraw/zinc/92/84/34/525928434.db2.gz KKBAENYKHURNQE-IBGZPJMESA-N 2 1 358.486 1.581 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132015597 525928448 /nfs/dbraw/zinc/92/84/48/525928448.db2.gz KKBAENYKHURNQE-IBGZPJMESA-N 2 1 358.486 1.581 20 30 FDEDMP C[C@@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000184878380 536189347 /nfs/dbraw/zinc/18/93/47/536189347.db2.gz RTNJYQPZVLIGLP-QGZVFWFLSA-N 2 1 354.882 1.174 20 30 FDEDMP CN(CCC#N)C(=O)CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286668 536288778 /nfs/dbraw/zinc/28/87/78/536288778.db2.gz ZFPGPHDDNHPNHR-HXUWFJFHSA-N 2 1 358.486 1.317 20 30 FDEDMP CN(CCC#N)C(=O)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286668 536288779 /nfs/dbraw/zinc/28/87/79/536288779.db2.gz ZFPGPHDDNHPNHR-HXUWFJFHSA-N 2 1 358.486 1.317 20 30 FDEDMP CN(CCC#N)C(=O)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188286668 536288780 /nfs/dbraw/zinc/28/87/80/536288780.db2.gz ZFPGPHDDNHPNHR-HXUWFJFHSA-N 2 1 358.486 1.317 20 30 FDEDMP CN(CCC#N)C(=O)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188286668 536288781 /nfs/dbraw/zinc/28/87/81/536288781.db2.gz ZFPGPHDDNHPNHR-HXUWFJFHSA-N 2 1 358.486 1.317 20 30 FDEDMP Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000188956556 536976223 /nfs/dbraw/zinc/97/62/23/536976223.db2.gz GHDCRBYDDYBRMZ-UHFFFAOYSA-N 2 1 371.485 1.290 20 30 FDEDMP Cc1ccc(C#N)cc1NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000188956556 536976227 /nfs/dbraw/zinc/97/62/27/536976227.db2.gz GHDCRBYDDYBRMZ-UHFFFAOYSA-N 2 1 371.485 1.290 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000264106119 537137807 /nfs/dbraw/zinc/13/78/07/537137807.db2.gz PLRAGSCMAZWWOZ-FQEVSTJZSA-N 2 1 373.545 1.784 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262775438 537254515 /nfs/dbraw/zinc/25/45/15/537254515.db2.gz JDECMTLEDHTLBJ-ROUUACIJSA-N 2 1 372.513 1.782 20 30 FDEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCOCC3)CC2)cs1 ZINC000304752803 537598198 /nfs/dbraw/zinc/59/81/98/537598198.db2.gz KQLTVDZRPGIHEL-UHFFFAOYSA-N 2 1 351.520 1.564 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000293973253 537632645 /nfs/dbraw/zinc/63/26/45/537632645.db2.gz MGEUEROUUPBWBT-UHFFFAOYSA-N 2 1 367.497 1.797 20 30 FDEDMP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000376806660 537912554 /nfs/dbraw/zinc/91/25/54/537912554.db2.gz LPWFRCFMRARGEE-UHFFFAOYSA-N 2 1 356.470 1.931 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CCCC)CC1 ZINC000560797880 545608191 /nfs/dbraw/zinc/60/81/91/545608191.db2.gz WSBHFJMVZMJYRY-GOSISDBHSA-N 2 1 364.534 1.524 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000580952296 551036731 /nfs/dbraw/zinc/03/67/31/551036731.db2.gz VFRBTHBLEFOVGM-SFHVURJKSA-N 2 1 353.474 1.201 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000580952296 551036733 /nfs/dbraw/zinc/03/67/33/551036733.db2.gz VFRBTHBLEFOVGM-SFHVURJKSA-N 2 1 353.474 1.201 20 30 FDEDMP N#Cc1cccc(C[NH+]2CCC(NC(=O)c3csc(C[NH3+])n3)CC2)c1 ZINC000593918754 552225568 /nfs/dbraw/zinc/22/55/68/552225568.db2.gz HZOIWQIFXKBTRH-UHFFFAOYSA-N 2 1 355.467 1.868 20 30 FDEDMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c2)CC1 ZINC000594438761 552310473 /nfs/dbraw/zinc/31/04/73/552310473.db2.gz LHGJLYKOXJECRY-SFHVURJKSA-N 2 1 371.485 1.353 20 30 FDEDMP CN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439816 552310833 /nfs/dbraw/zinc/31/08/33/552310833.db2.gz VMICMTKUPMEOTF-IBGZPJMESA-N 2 1 357.502 1.461 20 30 FDEDMP CN(CC(=O)NC1(C#N)CCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615231875 555177007 /nfs/dbraw/zinc/17/70/07/555177007.db2.gz IVNIBDDYKDQKGF-HXUWFJFHSA-N 2 1 356.470 1.118 20 30 FDEDMP CC[NH+]1CCC(NC(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000330262536 567957475 /nfs/dbraw/zinc/95/74/75/567957475.db2.gz VDXUWBLDTRQZMI-OAQYLSRUSA-N 2 1 374.529 1.954 20 30 FDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N(C)Cc1cc(Br)cn1C ZINC000261711632 672656632 /nfs/dbraw/zinc/65/66/32/672656632.db2.gz HHCSIBGWSLKGDZ-UHFFFAOYSA-N 2 1 367.295 2.000 20 30 FDEDMP C[NH+]=C(NCCc1csc(C)n1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261808515 672675703 /nfs/dbraw/zinc/67/57/03/672675703.db2.gz SKWAVWLRIKFOPP-OAHLLOKOSA-N 2 1 351.520 1.224 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1CC[C@]2(CCOC2)C1 ZINC000261947553 672699611 /nfs/dbraw/zinc/69/96/11/672699611.db2.gz GJDAITPWVNYCFV-MJGOQNOKSA-N 2 1 352.523 1.421 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262788245 672849730 /nfs/dbraw/zinc/84/97/30/672849730.db2.gz NCSHJGRLPSAHBR-LJQANCHMSA-N 3 1 367.607 1.996 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000264122866 672902025 /nfs/dbraw/zinc/90/20/25/672902025.db2.gz VKULDPYGRKXJLB-UHFFFAOYSA-N 2 1 368.865 1.238 20 30 FDEDMP COc1cccc(O[C@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000267453619 673305767 /nfs/dbraw/zinc/30/57/67/673305767.db2.gz SBXHPZJERHXGRE-OAHLLOKOSA-N 2 1 350.463 1.089 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000284273895 675683641 /nfs/dbraw/zinc/68/36/41/675683641.db2.gz MYLCFYCBMPRVES-INIZCTEOSA-N 2 1 364.515 1.234 20 30 FDEDMP CC(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000303788979 676543152 /nfs/dbraw/zinc/54/31/52/676543152.db2.gz UWSYQPCJILVDKC-GOSISDBHSA-N 3 1 353.555 1.514 20 30 FDEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000329369089 676635857 /nfs/dbraw/zinc/63/58/57/676635857.db2.gz IETKWCYYECUKPU-FUHWJXTLSA-N 2 1 352.523 1.696 20 30 FDEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000329369089 676635858 /nfs/dbraw/zinc/63/58/58/676635858.db2.gz IETKWCYYECUKPU-FUHWJXTLSA-N 2 1 352.523 1.696 20 30 FDEDMP C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000425862117 680937111 /nfs/dbraw/zinc/93/71/11/680937111.db2.gz WWPBDLYOZLQROI-KSZLIROESA-N 2 1 352.523 1.635 20 30 FDEDMP C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000459046717 684361425 /nfs/dbraw/zinc/36/14/25/684361425.db2.gz SGNIZIHRKZNYQE-KSZLIROESA-N 2 1 352.523 1.778 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000519283694 690196837 /nfs/dbraw/zinc/19/68/37/690196837.db2.gz WXHHNDOQBWBPDL-GOSISDBHSA-N 2 1 352.523 1.683 20 30 FDEDMP CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921622 721848262 /nfs/dbraw/zinc/84/82/62/721848262.db2.gz OPQYKBXDOFSGQS-RBUKOAKNSA-N 2 1 354.502 1.204 20 30 FDEDMP CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921622 721848264 /nfs/dbraw/zinc/84/82/64/721848264.db2.gz OPQYKBXDOFSGQS-RBUKOAKNSA-N 2 1 354.502 1.204 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000969705203 770693782 /nfs/dbraw/zinc/69/37/82/770693782.db2.gz UNKNKQZVYOWVRW-SPYBWZPUSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000969705203 770693793 /nfs/dbraw/zinc/69/37/93/770693793.db2.gz UNKNKQZVYOWVRW-SPYBWZPUSA-N 2 1 370.497 1.844 20 30 FDEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193228 771089866 /nfs/dbraw/zinc/08/98/66/771089866.db2.gz HLYKJWRVIONFFI-LSTHTHJFSA-N 2 1 368.481 1.454 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(C)n2)C1 ZINC001104305998 774437733 /nfs/dbraw/zinc/43/77/33/774437733.db2.gz FJEKVTVQCAQTPO-LMMKCTJWSA-N 2 1 357.502 1.092 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(C)n2)C1 ZINC001104305998 774437738 /nfs/dbraw/zinc/43/77/38/774437738.db2.gz FJEKVTVQCAQTPO-LMMKCTJWSA-N 2 1 357.502 1.092 20 30 FDEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083248062 783427292 /nfs/dbraw/zinc/42/72/92/783427292.db2.gz QFZDZPSAEDVPCS-SLFFLAALSA-N 2 1 368.481 1.312 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083248062 783427301 /nfs/dbraw/zinc/42/73/01/783427301.db2.gz QFZDZPSAEDVPCS-SLFFLAALSA-N 2 1 368.481 1.312 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083248062 783427307 /nfs/dbraw/zinc/42/73/07/783427307.db2.gz QFZDZPSAEDVPCS-SLFFLAALSA-N 2 1 368.481 1.312 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083248062 783427311 /nfs/dbraw/zinc/42/73/11/783427311.db2.gz QFZDZPSAEDVPCS-SLFFLAALSA-N 2 1 368.481 1.312 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950879 786995876 /nfs/dbraw/zinc/99/58/76/786995876.db2.gz GMMBUWFYYHPDPO-UWVAXJGDSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950879 786995881 /nfs/dbraw/zinc/99/58/81/786995881.db2.gz GMMBUWFYYHPDPO-UWVAXJGDSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950879 786995884 /nfs/dbraw/zinc/99/58/84/786995884.db2.gz GMMBUWFYYHPDPO-UWVAXJGDSA-N 2 1 364.534 1.380 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]32)CC1 ZINC001083283720 791178691 /nfs/dbraw/zinc/17/86/91/791178691.db2.gz POOCJMFFTCUNOO-VQTJNVASSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974595859 799902843 /nfs/dbraw/zinc/90/28/43/799902843.db2.gz MWRNFDJZDDHQSB-QRVBRYPASA-N 2 1 361.530 1.583 20 30 FDEDMP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001026852431 800004541 /nfs/dbraw/zinc/00/45/41/800004541.db2.gz OAKSNIJUYPITQG-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP C=CC[C@]1(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCC[NH2+]1 ZINC000662722841 802903209 /nfs/dbraw/zinc/90/32/09/802903209.db2.gz SLCSFRVFJXYKLZ-HXUWFJFHSA-N 2 1 362.518 1.087 20 30 FDEDMP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000261933640 811346876 /nfs/dbraw/zinc/34/68/76/811346876.db2.gz BWQRJCPALRZAFT-AEFFLSMTSA-N 2 1 371.533 1.704 20 30 FDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000261955208 811352795 /nfs/dbraw/zinc/35/27/95/811352795.db2.gz IOEQHOSWVGTPSR-QGZVFWFLSA-N 2 1 369.517 1.330 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000272992814 814785470 /nfs/dbraw/zinc/78/54/70/814785470.db2.gz SYXZCCGNEDZZLE-OALUTQOASA-N 3 1 359.518 1.142 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272992814 814785471 /nfs/dbraw/zinc/78/54/71/814785471.db2.gz SYXZCCGNEDZZLE-OALUTQOASA-N 3 1 359.518 1.142 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272992814 814785472 /nfs/dbraw/zinc/78/54/72/814785472.db2.gz SYXZCCGNEDZZLE-OALUTQOASA-N 3 1 359.518 1.142 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)CC[N@H+]1C ZINC001075809014 820956771 /nfs/dbraw/zinc/95/67/71/820956771.db2.gz OGQLYFDOTKOCNA-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC[NH+]1C ZINC001075809014 820956774 /nfs/dbraw/zinc/95/67/74/820956774.db2.gz OGQLYFDOTKOCNA-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC[NH+]1C ZINC001075809014 820956775 /nfs/dbraw/zinc/95/67/75/820956775.db2.gz OGQLYFDOTKOCNA-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969243 824259432 /nfs/dbraw/zinc/25/94/32/824259432.db2.gz KECFDWGVVKZZIZ-MHTWAQMVSA-N 2 1 373.541 1.537 20 30 FDEDMP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000329303618 824725417 /nfs/dbraw/zinc/72/54/17/824725417.db2.gz NZGWAWIBAJSLIG-GOSISDBHSA-N 2 1 372.513 1.884 20 30 FDEDMP CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329478393 824822202 /nfs/dbraw/zinc/82/22/02/824822202.db2.gz OQSMJTLQEGYZGI-QGZVFWFLSA-N 2 1 366.506 1.141 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCC[N@H+]1C ZINC000329489529 824830556 /nfs/dbraw/zinc/83/05/56/824830556.db2.gz HPHUQQDRJMZFHM-LZLYRXPVSA-N 2 1 362.522 1.743 20 30 FDEDMP CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262366603 826086638 /nfs/dbraw/zinc/08/66/38/826086638.db2.gz HVMWJXCBFYGTRM-XDNAFOTISA-N 2 1 364.534 1.420 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)Cc3cccc(C#N)c3)CC2)O1 ZINC000985492176 828013798 /nfs/dbraw/zinc/01/37/98/828013798.db2.gz LHSWXEJNNUBUHB-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)Cc3cccc(C#N)c3)CC2)O1 ZINC000985492176 828013810 /nfs/dbraw/zinc/01/38/10/828013810.db2.gz LHSWXEJNNUBUHB-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)Cc3cccc(C#N)c3)CC2)O1 ZINC000985492176 828013824 /nfs/dbraw/zinc/01/38/24/828013824.db2.gz LHSWXEJNNUBUHB-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(C#N)c3)CC2)O1 ZINC000985492176 828013836 /nfs/dbraw/zinc/01/38/36/828013836.db2.gz LHSWXEJNNUBUHB-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)Cc3ccc(C#N)cc3)CC2)O1 ZINC000985493232 828018004 /nfs/dbraw/zinc/01/80/04/828018004.db2.gz SFWMJJJYIYTMSE-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)Cc3ccc(C#N)cc3)CC2)O1 ZINC000985493232 828018016 /nfs/dbraw/zinc/01/80/16/828018016.db2.gz SFWMJJJYIYTMSE-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)Cc3ccc(C#N)cc3)CC2)O1 ZINC000985493232 828018024 /nfs/dbraw/zinc/01/80/24/828018024.db2.gz SFWMJJJYIYTMSE-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)Cc3ccc(C#N)cc3)CC2)O1 ZINC000985493232 828018034 /nfs/dbraw/zinc/01/80/34/828018034.db2.gz SFWMJJJYIYTMSE-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP COc1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1C#N ZINC000448550161 829178955 /nfs/dbraw/zinc/17/89/55/829178955.db2.gz RABYTKMMTOXAPA-FUHWJXTLSA-N 2 1 356.470 1.647 20 30 FDEDMP C[NH+]1CC[C@H]2CN(c3nc(N4C[C@H]5CC[N@H+](C)[C@H]5C4)ccc3C#N)C[C@H]21 ZINC000450780422 830122245 /nfs/dbraw/zinc/12/22/45/830122245.db2.gz QKQLGEWMDDKMPH-VSZNYVQBSA-N 2 1 352.486 1.234 20 30 FDEDMP C[NH+]1CC[C@@H]2CN(c3ccc(C#N)c(N4C[C@@H]5CC[N@H+](C)[C@@H]5C4)n3)C[C@@H]21 ZINC000450780422 830122248 /nfs/dbraw/zinc/12/22/48/830122248.db2.gz QKQLGEWMDDKMPH-VSZNYVQBSA-N 2 1 352.486 1.234 20 30 FDEDMP C[NH+]1CC[C@@H]2CN(c3ccc(C#N)c(N4C[C@@H]5CC[N@@H+](C)[C@@H]5C4)n3)C[C@@H]21 ZINC000450780422 830122253 /nfs/dbraw/zinc/12/22/53/830122253.db2.gz QKQLGEWMDDKMPH-VSZNYVQBSA-N 2 1 352.486 1.234 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC001075943168 840957170 /nfs/dbraw/zinc/95/71/70/840957170.db2.gz FBKHUPHGLYCKBI-XWPNQZOQSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC001075943168 840957175 /nfs/dbraw/zinc/95/71/75/840957175.db2.gz FBKHUPHGLYCKBI-XWPNQZOQSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC001075943168 840957180 /nfs/dbraw/zinc/95/71/80/840957180.db2.gz FBKHUPHGLYCKBI-XWPNQZOQSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC001075943168 840957181 /nfs/dbraw/zinc/95/71/81/840957181.db2.gz FBKHUPHGLYCKBI-XWPNQZOQSA-N 2 1 368.481 1.310 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637326 842271389 /nfs/dbraw/zinc/27/13/89/842271389.db2.gz NFCXOZYDIDFKNA-QCFAMHMHSA-N 2 1 361.530 1.460 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668597 843837784 /nfs/dbraw/zinc/83/77/84/843837784.db2.gz LGZIEMMWJPAERO-RMVXJAJNSA-N 2 1 363.546 1.708 20 30 FDEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076462225 848210303 /nfs/dbraw/zinc/21/03/03/848210303.db2.gz MPEDNCIRCQJKCL-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076462225 848210306 /nfs/dbraw/zinc/21/03/06/848210306.db2.gz MPEDNCIRCQJKCL-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076462225 848210311 /nfs/dbraw/zinc/21/03/11/848210311.db2.gz MPEDNCIRCQJKCL-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076462225 848210314 /nfs/dbraw/zinc/21/03/14/848210314.db2.gz MPEDNCIRCQJKCL-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ocnc4C)C[C@H]32)CC1 ZINC001076605614 848555455 /nfs/dbraw/zinc/55/54/55/848555455.db2.gz JNBZAIRLXINYCS-ZWKOTPCHSA-N 2 1 356.470 1.361 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CCC[N@H+](CC)CC1 ZINC000669033596 860869050 /nfs/dbraw/zinc/86/90/50/860869050.db2.gz USEVYMWDAZGXFG-SJORKVTESA-N 2 1 360.506 1.532 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[NH+](CC)CC1 ZINC000669033596 860869055 /nfs/dbraw/zinc/86/90/55/860869055.db2.gz USEVYMWDAZGXFG-SJORKVTESA-N 2 1 360.506 1.532 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC[NH+](CC)CC1 ZINC000669033596 860869066 /nfs/dbraw/zinc/86/90/66/860869066.db2.gz USEVYMWDAZGXFG-SJORKVTESA-N 2 1 360.506 1.532 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)[C@H]2C)cc1C#N ZINC001088980314 865889384 /nfs/dbraw/zinc/88/93/84/865889384.db2.gz DCJYCJPJAMNCCB-SUMDDJOVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)[C@H]2C)cc1C#N ZINC001088980314 865889411 /nfs/dbraw/zinc/88/94/11/865889411.db2.gz DCJYCJPJAMNCCB-SUMDDJOVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)[C@H]2C)cc1C#N ZINC001088980314 865889424 /nfs/dbraw/zinc/88/94/24/865889424.db2.gz DCJYCJPJAMNCCB-SUMDDJOVSA-N 2 1 370.497 1.988 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(C)C ZINC000457753600 867672137 /nfs/dbraw/zinc/67/21/37/867672137.db2.gz QHIIGNQGGHAGBT-OTWHNJEPSA-N 2 1 366.550 1.782 20 30 FDEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212487211 872148204 /nfs/dbraw/zinc/14/82/04/872148204.db2.gz WORAYNRFXCBBOX-QZTJIDSGSA-N 2 1 358.486 1.604 20 30 FDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212487211 872148214 /nfs/dbraw/zinc/14/82/14/872148214.db2.gz WORAYNRFXCBBOX-QZTJIDSGSA-N 2 1 358.486 1.604 20 30 FDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212487211 872148221 /nfs/dbraw/zinc/14/82/21/872148221.db2.gz WORAYNRFXCBBOX-QZTJIDSGSA-N 2 1 358.486 1.604 20 30 FDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1OC ZINC001212487211 872148230 /nfs/dbraw/zinc/14/82/30/872148230.db2.gz WORAYNRFXCBBOX-QZTJIDSGSA-N 2 1 358.486 1.604 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248356 874114849 /nfs/dbraw/zinc/11/48/49/874114849.db2.gz NCDKAHQNVGDNSP-GUDVDZBRSA-N 2 1 351.535 1.851 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106336624 874814988 /nfs/dbraw/zinc/81/49/88/874814988.db2.gz XDUJUUORKJNCOO-OWCLPIDISA-N 2 1 352.523 1.092 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672284 876513560 /nfs/dbraw/zinc/51/35/60/876513560.db2.gz NYGLCKSTLGFFDH-IXDOHACOSA-N 2 1 366.550 1.339 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004562 884997008 /nfs/dbraw/zinc/99/70/08/884997008.db2.gz UAPVNQFMBLJZCA-BBWFWOEESA-N 2 1 371.489 1.606 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004562 884997016 /nfs/dbraw/zinc/99/70/16/884997016.db2.gz UAPVNQFMBLJZCA-BBWFWOEESA-N 2 1 371.489 1.606 20 30 FDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084310 885707017 /nfs/dbraw/zinc/70/70/17/885707017.db2.gz HFFFRQLTOGOIPB-ZACQAIPSSA-N 2 1 362.522 1.705 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084310 885707026 /nfs/dbraw/zinc/70/70/26/885707026.db2.gz HFFFRQLTOGOIPB-ZACQAIPSSA-N 2 1 362.522 1.705 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084310 885707033 /nfs/dbraw/zinc/70/70/33/885707033.db2.gz HFFFRQLTOGOIPB-ZACQAIPSSA-N 2 1 362.522 1.705 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000923388176 889099048 /nfs/dbraw/zinc/09/90/48/889099048.db2.gz MIKZPCAVKAAJPN-GNBUJSLZSA-N 2 1 359.470 1.516 20 30 FDEDMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084349288 914135607 /nfs/dbraw/zinc/13/56/07/914135607.db2.gz GBLQIQXMSIHCRC-YPAWHYETSA-N 2 1 363.505 1.913 20 30 FDEDMP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084349288 914135611 /nfs/dbraw/zinc/13/56/11/914135611.db2.gz GBLQIQXMSIHCRC-YPAWHYETSA-N 2 1 363.505 1.913 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084351935 914152307 /nfs/dbraw/zinc/15/23/07/914152307.db2.gz HCQGFAWSNAAFNX-WTGUMLROSA-N 2 1 359.514 1.289 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cccc(C)c3)C[C@H]2O)CC1 ZINC001078227189 898428917 /nfs/dbraw/zinc/42/89/17/898428917.db2.gz NHZGPJZELYGYNW-DUXKGJEZSA-N 2 1 369.509 1.563 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCF)C1 ZINC001079187594 902135405 /nfs/dbraw/zinc/13/54/05/902135405.db2.gz NUFPEFNOLHAQMV-OTWHNJEPSA-N 2 1 361.436 1.777 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCF)C1 ZINC001079187594 902135415 /nfs/dbraw/zinc/13/54/15/902135415.db2.gz NUFPEFNOLHAQMV-OTWHNJEPSA-N 2 1 361.436 1.777 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079273641 902284351 /nfs/dbraw/zinc/28/43/51/902284351.db2.gz ILXXCJTVWWNVOG-ZWKOTPCHSA-N 2 1 358.486 1.707 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079257200 902289603 /nfs/dbraw/zinc/28/96/03/902289603.db2.gz ZOSHEVGQOGNPMY-GBESFXJTSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001082567782 908703065 /nfs/dbraw/zinc/70/30/65/908703065.db2.gz ASEZJWFXDOWEEW-OIISXLGYSA-N 2 1 360.889 1.769 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC001082567782 908703070 /nfs/dbraw/zinc/70/30/70/908703070.db2.gz ASEZJWFXDOWEEW-OIISXLGYSA-N 2 1 360.889 1.769 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCC)n2)C1 ZINC001082568016 908706923 /nfs/dbraw/zinc/70/69/23/908706923.db2.gz RVPJSECDAMZKPD-QRQLOZEOSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(OCC)n2)C1 ZINC001082568016 908706932 /nfs/dbraw/zinc/70/69/32/908706932.db2.gz RVPJSECDAMZKPD-QRQLOZEOSA-N 2 1 370.497 1.514 20 30 FDEDMP N#Cc1cc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)ccc1F ZINC001084777636 917051143 /nfs/dbraw/zinc/05/11/43/917051143.db2.gz IMIMHYCROWKKJA-VQIMIIECSA-N 2 1 368.456 1.826 20 30 FDEDMP N#Cc1cc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)ccc1F ZINC001084777636 917051151 /nfs/dbraw/zinc/05/11/51/917051151.db2.gz IMIMHYCROWKKJA-VQIMIIECSA-N 2 1 368.456 1.826 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cccnc4C)C[C@H]32)CC1 ZINC001084850930 917656540 /nfs/dbraw/zinc/65/65/40/917656540.db2.gz DIPOVKWXDIUJQC-NHCUHLMSSA-N 2 1 366.509 1.768 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092753 920804208 /nfs/dbraw/zinc/80/42/08/920804208.db2.gz OZNNVWSIAZVTDO-AQNXPRMDSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092753 920804219 /nfs/dbraw/zinc/80/42/19/920804219.db2.gz OZNNVWSIAZVTDO-AQNXPRMDSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)[C@H]3C2)C1 ZINC001085092753 920804234 /nfs/dbraw/zinc/80/42/34/920804234.db2.gz OZNNVWSIAZVTDO-AQNXPRMDSA-N 2 1 352.482 1.933 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001085279482 923462034 /nfs/dbraw/zinc/46/20/34/923462034.db2.gz MHQRKVFVXYEIGN-DSZOFWSKSA-N 2 1 353.894 1.619 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nonc2C)CC1 ZINC001085432872 924681265 /nfs/dbraw/zinc/68/12/65/924681265.db2.gz ULGGJCYQQSXAHF-IAGOWNOFSA-N 2 1 359.474 1.240 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326463 926001739 /nfs/dbraw/zinc/00/17/39/926001739.db2.gz IGVQEYOJTSGNRZ-SQNIBIBYSA-N 2 1 362.522 1.562 20 30 FDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[C@H](C(=O)OCC)OC2)CC1 ZINC001169418743 928569621 /nfs/dbraw/zinc/56/96/21/928569621.db2.gz OQAQZPDDBLLCKG-RBUKOAKNSA-N 2 1 365.518 1.389 20 30 FDEDMP C#CCN1CCN(C(=O)C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)CC1 ZINC000771475506 930686302 /nfs/dbraw/zinc/68/63/02/930686302.db2.gz KVNGPSXKERHQOT-UHFFFAOYSA-N 2 1 374.573 1.598 20 30 FDEDMP C=CCCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001114296979 938385354 /nfs/dbraw/zinc/38/53/54/938385354.db2.gz YNSZFOLOHOVUSO-SLHNCBLASA-N 2 1 361.530 1.746 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030471 938631989 /nfs/dbraw/zinc/63/19/89/938631989.db2.gz BWMJVVPBFKARHZ-KURKYZTESA-N 2 1 360.506 1.459 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137021 938709631 /nfs/dbraw/zinc/70/96/31/938709631.db2.gz FFYFMPAFVJFAIA-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130626630 939924381 /nfs/dbraw/zinc/92/43/81/939924381.db2.gz PGTSOFOEFNYZQP-FUHWJXTLSA-N 2 1 356.474 1.475 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000747405273 940418886 /nfs/dbraw/zinc/41/88/86/940418886.db2.gz YDSZVADJQPFBFX-OAQYLSRUSA-N 2 1 355.482 1.227 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131121496 940506601 /nfs/dbraw/zinc/50/66/01/940506601.db2.gz WJSZRMLHRMIKNL-IAGOWNOFSA-N 2 1 356.474 1.475 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001086664440 940546255 /nfs/dbraw/zinc/54/62/55/940546255.db2.gz ONOVERQNCOJJBD-BFHYXJOUSA-N 2 1 360.296 1.100 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001086664440 940546256 /nfs/dbraw/zinc/54/62/56/940546256.db2.gz ONOVERQNCOJJBD-BFHYXJOUSA-N 2 1 360.296 1.100 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316756 940551156 /nfs/dbraw/zinc/55/11/56/940551156.db2.gz UPTYTYFKQIBHBV-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316756 940551157 /nfs/dbraw/zinc/55/11/57/940551157.db2.gz UPTYTYFKQIBHBV-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316756 940551159 /nfs/dbraw/zinc/55/11/59/940551159.db2.gz UPTYTYFKQIBHBV-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000819062647 943425767 /nfs/dbraw/zinc/42/57/67/943425767.db2.gz RROFCZMRILKODR-AZUAARDMSA-N 2 1 359.470 1.531 20 30 FDEDMP N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000819218084 943492287 /nfs/dbraw/zinc/49/22/87/943492287.db2.gz CMVVAUGKTJLZRO-RTWAWAEBSA-N 2 1 351.450 1.948 20 30 FDEDMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1ccc(C#N)cn1)CC2 ZINC001144157880 948300465 /nfs/dbraw/zinc/30/04/65/948300465.db2.gz ZRAWKSBPFGHVGV-UHFFFAOYSA-N 2 1 351.454 1.277 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001091096523 949311504 /nfs/dbraw/zinc/31/15/04/949311504.db2.gz WSGZNKFAJUTSOW-YOODTLSXSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001091096523 949311527 /nfs/dbraw/zinc/31/15/27/949311527.db2.gz WSGZNKFAJUTSOW-YOODTLSXSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001091097782 949317996 /nfs/dbraw/zinc/31/79/96/949317996.db2.gz VOAGGGHFYYTZKZ-YOODTLSXSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001091097782 949318023 /nfs/dbraw/zinc/31/80/23/949318023.db2.gz VOAGGGHFYYTZKZ-YOODTLSXSA-N 2 1 356.470 1.262 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401079 951574863 /nfs/dbraw/zinc/57/48/63/951574863.db2.gz SCALOWBFDAYMCM-NSISKUIASA-N 2 1 370.497 1.514 20 30 FDEDMP CC#CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091401079 951574868 /nfs/dbraw/zinc/57/48/68/951574868.db2.gz SCALOWBFDAYMCM-NSISKUIASA-N 2 1 370.497 1.514 20 30 FDEDMP CC#CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091401079 951574875 /nfs/dbraw/zinc/57/48/75/951574875.db2.gz SCALOWBFDAYMCM-NSISKUIASA-N 2 1 370.497 1.514 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091679646 952613466 /nfs/dbraw/zinc/61/34/66/952613466.db2.gz ICYDYARRJPVQCW-QAPCUYQASA-N 2 1 365.909 1.591 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@]2(C)C1 ZINC001091679646 952613470 /nfs/dbraw/zinc/61/34/70/952613470.db2.gz ICYDYARRJPVQCW-QAPCUYQASA-N 2 1 365.909 1.591 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001086993540 953027216 /nfs/dbraw/zinc/02/72/16/953027216.db2.gz FOVBKGVBSNDXGS-PBWTXFEYSA-N 2 1 359.518 1.611 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001086997222 953040149 /nfs/dbraw/zinc/04/01/49/953040149.db2.gz SLRVGFUJAKEFGS-XOKHGSTOSA-N 2 1 365.909 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001086997222 953040153 /nfs/dbraw/zinc/04/01/53/953040153.db2.gz SLRVGFUJAKEFGS-XOKHGSTOSA-N 2 1 365.909 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cnn(C)c1 ZINC001087006206 953089438 /nfs/dbraw/zinc/08/94/38/953089438.db2.gz OYRIIFHSJQCSNK-JKSUJKDBSA-N 2 1 363.893 1.152 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001091784300 953301343 /nfs/dbraw/zinc/30/13/43/953301343.db2.gz VPMPVIZJYRWCNS-APWZRJJASA-N 2 1 369.937 1.878 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001091784300 953301347 /nfs/dbraw/zinc/30/13/47/953301347.db2.gz VPMPVIZJYRWCNS-APWZRJJASA-N 2 1 369.937 1.878 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092503987 955275485 /nfs/dbraw/zinc/27/54/85/955275485.db2.gz FXKAKKIUVLWKRF-LZQZEXGQSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092503987 955275491 /nfs/dbraw/zinc/27/54/91/955275491.db2.gz FXKAKKIUVLWKRF-LZQZEXGQSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092503987 955275499 /nfs/dbraw/zinc/27/54/99/955275499.db2.gz FXKAKKIUVLWKRF-LZQZEXGQSA-N 2 1 370.497 1.845 20 30 FDEDMP C=CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001177529423 963867101 /nfs/dbraw/zinc/86/71/01/963867101.db2.gz JLQQQUZESIEJPH-UYAOXDASSA-N 2 1 371.525 1.978 20 30 FDEDMP C=CCC[NH+]1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001177529423 963867112 /nfs/dbraw/zinc/86/71/12/963867112.db2.gz JLQQQUZESIEJPH-UYAOXDASSA-N 2 1 371.525 1.978 20 30 FDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186409821 964476988 /nfs/dbraw/zinc/47/69/88/964476988.db2.gz GIDVATFPPAECRS-KZNAEPCWSA-N 2 1 365.518 1.126 20 30 FDEDMP C=CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186409821 964476996 /nfs/dbraw/zinc/47/69/96/964476996.db2.gz GIDVATFPPAECRS-KZNAEPCWSA-N 2 1 365.518 1.126 20 30 FDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC12CCOCC2 ZINC001186381968 964486825 /nfs/dbraw/zinc/48/68/25/964486825.db2.gz MUVYYZDRXXPHJK-GBESFXJTSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000852360390 967250252 /nfs/dbraw/zinc/25/02/52/967250252.db2.gz XXFDAEGTMNBDNH-HXUWFJFHSA-N 2 1 371.529 1.057 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000852360390 967250261 /nfs/dbraw/zinc/25/02/61/967250261.db2.gz XXFDAEGTMNBDNH-HXUWFJFHSA-N 2 1 371.529 1.057 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000852360390 967250272 /nfs/dbraw/zinc/25/02/72/967250272.db2.gz XXFDAEGTMNBDNH-HXUWFJFHSA-N 2 1 371.529 1.057 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000852360390 967250280 /nfs/dbraw/zinc/25/02/80/967250280.db2.gz XXFDAEGTMNBDNH-HXUWFJFHSA-N 2 1 371.529 1.057 20 30 FDEDMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)C1 ZINC000852863134 967668348 /nfs/dbraw/zinc/66/83/48/967668348.db2.gz ACCAGHOVRFRRPB-SFHVURJKSA-N 2 1 368.481 1.325 20 30 FDEDMP CCC[N@H+]1CCC[C@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849050934 977293641 /nfs/dbraw/zinc/29/36/41/977293641.db2.gz PCXOMWTYKGXYHW-HOTGVXAUSA-N 2 1 365.522 1.741 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C3)C1=O ZINC001110738849 981745604 /nfs/dbraw/zinc/74/56/04/981745604.db2.gz WNLJXVFQWNOVQU-NCOADZHNSA-N 2 1 362.518 1.225 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C3)C1=O ZINC001110738849 981745606 /nfs/dbraw/zinc/74/56/06/981745606.db2.gz WNLJXVFQWNOVQU-NCOADZHNSA-N 2 1 362.518 1.225 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+](C)CC)C3)C1=O ZINC001110738849 981745612 /nfs/dbraw/zinc/74/56/12/981745612.db2.gz WNLJXVFQWNOVQU-NCOADZHNSA-N 2 1 362.518 1.225 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+](C)CC)C3)C1=O ZINC001110738849 981745620 /nfs/dbraw/zinc/74/56/20/981745620.db2.gz WNLJXVFQWNOVQU-NCOADZHNSA-N 2 1 362.518 1.225 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC[N@H+]1CCc3ccccc3C1)C2 ZINC000884189776 982965417 /nfs/dbraw/zinc/96/54/17/982965417.db2.gz MTXIKHSHNVEOKB-OBXNSHGQSA-N 2 1 352.482 1.690 20 30 FDEDMP C#CCN(C(=O)c1cc2c(nc[nH+]c2N(C)C)n1C)C1CC[NH+](C)CC1 ZINC000886578692 986380220 /nfs/dbraw/zinc/38/02/20/986380220.db2.gz IBFUCKGCSQPQGH-UHFFFAOYSA-N 2 1 354.458 1.204 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000366040966 988327339 /nfs/dbraw/zinc/32/73/39/988327339.db2.gz XISOSOGFIGAFII-QGZVFWFLSA-N 2 1 364.534 1.922 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000296201419 989034618 /nfs/dbraw/zinc/03/46/18/989034618.db2.gz CNEYGWDKQFQSNS-HXUWFJFHSA-N 2 1 356.514 1.805 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000296201419 989034629 /nfs/dbraw/zinc/03/46/29/989034629.db2.gz CNEYGWDKQFQSNS-HXUWFJFHSA-N 2 1 356.514 1.805 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000369403570 989050385 /nfs/dbraw/zinc/05/03/85/989050385.db2.gz VTDVQRXCUGMMSJ-YTQUADARSA-N 2 1 364.534 1.825 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000876780732 992906732 /nfs/dbraw/zinc/90/67/32/992906732.db2.gz AHEMCJFPEWSPHW-QGZVFWFLSA-N 2 1 366.893 1.403 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876800399 992919298 /nfs/dbraw/zinc/91/92/98/992919298.db2.gz LOUOPBTYMMYMNQ-GOSISDBHSA-N 2 1 350.426 1.505 20 30 FDEDMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000877229970 993123517 /nfs/dbraw/zinc/12/35/17/993123517.db2.gz UOPPJOLTGVDPNP-RTBURBONSA-N 2 1 358.486 1.723 20 30 FDEDMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000877229970 993123523 /nfs/dbraw/zinc/12/35/23/993123523.db2.gz UOPPJOLTGVDPNP-RTBURBONSA-N 2 1 358.486 1.723 20 30 FDEDMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(Nc3ccccc3C#N)CC2)CC1 ZINC000878961475 994386423 /nfs/dbraw/zinc/38/64/23/994386423.db2.gz CBRRMCRVHMYVTH-UHFFFAOYSA-N 2 1 355.486 1.645 20 30 FDEDMP C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880264465 995767323 /nfs/dbraw/zinc/76/73/23/995767323.db2.gz WVPPFBPYDCRKNU-LPHOPBHVSA-N 2 1 352.438 1.904 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccnc(N2CCCCC2)c1 ZINC000264058011 997390900 /nfs/dbraw/zinc/39/09/00/997390900.db2.gz BRVGVQMZZFNHNS-UHFFFAOYSA-N 2 1 360.506 1.199 20 30 FDEDMP Cc1cc(C)n(-c2ccc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)cn2)n1 ZINC000264071146 997395811 /nfs/dbraw/zinc/39/58/11/997395811.db2.gz DGVYOQVICUGUTF-UHFFFAOYSA-N 2 1 371.489 1.011 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000264090047 997401443 /nfs/dbraw/zinc/40/14/43/997401443.db2.gz KSWIHMXBQCCBDM-QGZVFWFLSA-N 2 1 355.490 1.773 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000267453829 999340403 /nfs/dbraw/zinc/34/04/03/999340403.db2.gz SFWKALYTYFHAGB-IBGZPJMESA-N 3 1 373.545 1.532 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001111277572 1002480205 /nfs/dbraw/zinc/48/02/05/1002480205.db2.gz YEURPMHQVRYLCH-QRVBRYPASA-N 2 1 356.470 1.358 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[N@@H+](C)CCC)C3)C1=O ZINC001111307835 1008887087 /nfs/dbraw/zinc/88/70/87/1008887087.db2.gz ZYUCOAZCPWETSQ-ZJPYXAASSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[N@H+](C)CCC)C3)C1=O ZINC001111307835 1008887101 /nfs/dbraw/zinc/88/71/01/1008887101.db2.gz ZYUCOAZCPWETSQ-ZJPYXAASSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)CCC)C3)C1=O ZINC001111307835 1008887128 /nfs/dbraw/zinc/88/71/28/1008887128.db2.gz ZYUCOAZCPWETSQ-ZJPYXAASSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)CCC)C3)C1=O ZINC001111307835 1008887148 /nfs/dbraw/zinc/88/71/48/1008887148.db2.gz ZYUCOAZCPWETSQ-ZJPYXAASSA-N 2 1 362.518 1.227 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1OC ZINC000303793254 1009588768 /nfs/dbraw/zinc/58/87/68/1009588768.db2.gz ZFQMRZXTACHXRS-INIZCTEOSA-N 2 1 364.490 1.465 20 30 FDEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835733 1009948647 /nfs/dbraw/zinc/94/86/47/1009948647.db2.gz LRVLMXVQKZWMKS-MRXNPFEDSA-N 2 1 350.532 1.488 20 30 FDEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835733 1009948649 /nfs/dbraw/zinc/94/86/49/1009948649.db2.gz LRVLMXVQKZWMKS-MRXNPFEDSA-N 2 1 350.532 1.488 20 30 FDEDMP C[C@H]1CCCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000304765849 1010490091 /nfs/dbraw/zinc/49/00/91/1010490091.db2.gz ZVRXSMPAECHQFX-LPHOPBHVSA-N 2 1 371.529 1.931 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000305822819 1012774423 /nfs/dbraw/zinc/77/44/23/1012774423.db2.gz BQZUZJYGHGORSN-OAHLLOKOSA-N 2 1 359.474 1.634 20 30 FDEDMP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000514602847 539014689 /nfs/dbraw/zinc/01/46/89/539014689.db2.gz GHCNHVNBFFXFPQ-QGZVFWFLSA-N 2 1 365.499 1.158 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000530579375 540004466 /nfs/dbraw/zinc/00/44/66/540004466.db2.gz CRHFFIYILYCWCG-OAQYLSRUSA-N 2 1 357.498 1.780 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333872851 259389027 /nfs/dbraw/zinc/38/90/27/259389027.db2.gz UWIQQQVGQJHARD-VQIMIIECSA-N 2 1 355.486 1.916 20 30 FDEDMP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958183 523098242 /nfs/dbraw/zinc/09/82/42/523098242.db2.gz BBCYPFFQRXTLFX-KRWDZBQOSA-N 2 1 362.518 1.762 20 30 FDEDMP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158555701 524489743 /nfs/dbraw/zinc/48/97/43/524489743.db2.gz YGETUAYZGHXTHA-RDJZCZTQSA-N 2 1 357.502 1.469 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131247090 525838291 /nfs/dbraw/zinc/83/82/91/525838291.db2.gz LOGCELBICPWJTD-NVXWUHKLSA-N 2 1 350.507 1.214 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000107370704 525881325 /nfs/dbraw/zinc/88/13/25/525881325.db2.gz VTAAJTQXPZYQCT-MOPGFXCFSA-N 2 1 358.486 1.010 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188565394 536902763 /nfs/dbraw/zinc/90/27/63/536902763.db2.gz AQUGMLTWWDCZDF-MRXNPFEDSA-N 2 1 352.523 1.514 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000194955856 537355258 /nfs/dbraw/zinc/35/52/58/537355258.db2.gz UDUBPHGSHJXXMM-CALCHBBNSA-N 2 1 352.523 1.778 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371374789 537824927 /nfs/dbraw/zinc/82/49/27/537824927.db2.gz SDKJTLKKTLHLJZ-LJQANCHMSA-N 2 1 350.507 1.475 20 30 FDEDMP OCC[NH+](CC#CC[N@H+](CCO)[C@H]1CCCSC1)[C@H]1CCCSC1 ZINC000433188835 538209932 /nfs/dbraw/zinc/20/99/32/538209932.db2.gz DEXHMLWIIYZKRI-ROUUACIJSA-N 2 1 372.600 1.370 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424150825 538245940 /nfs/dbraw/zinc/24/59/40/538245940.db2.gz ZOSLDZARAPJQPV-QAPCUYQASA-N 2 1 360.458 1.415 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424150825 538245943 /nfs/dbraw/zinc/24/59/43/538245943.db2.gz ZOSLDZARAPJQPV-QAPCUYQASA-N 2 1 360.458 1.415 20 30 FDEDMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424152599 538246842 /nfs/dbraw/zinc/24/68/42/538246842.db2.gz IRVGATHPEQXTQD-INIZCTEOSA-N 2 1 357.458 1.424 20 30 FDEDMP CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424152208 538247032 /nfs/dbraw/zinc/24/70/32/538247032.db2.gz JBVLDIBMBHVIHT-CEXWTWQISA-N 2 1 358.486 1.803 20 30 FDEDMP CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424152208 538247038 /nfs/dbraw/zinc/24/70/38/538247038.db2.gz JBVLDIBMBHVIHT-CEXWTWQISA-N 2 1 358.486 1.803 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000472284568 538617416 /nfs/dbraw/zinc/61/74/16/538617416.db2.gz LTFNPLMDYJBUHA-ZHALLVOQSA-N 2 1 352.523 1.862 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000472284568 538617421 /nfs/dbraw/zinc/61/74/21/538617421.db2.gz LTFNPLMDYJBUHA-ZHALLVOQSA-N 2 1 352.523 1.862 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000560773340 545601589 /nfs/dbraw/zinc/60/15/89/545601589.db2.gz BEOTVVXTSNJJJP-QGZVFWFLSA-N 2 1 364.534 1.380 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2)C[C@@H](C)O1 ZINC000565954291 547545679 /nfs/dbraw/zinc/54/56/79/547545679.db2.gz LLDKBOZJAXOIND-QINHECLXSA-N 2 1 358.486 1.869 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541733 551238883 /nfs/dbraw/zinc/23/88/83/551238883.db2.gz GQYSHSBXGBMYAT-MJGOQNOKSA-N 2 1 361.486 1.583 20 30 FDEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148919 551949676 /nfs/dbraw/zinc/94/96/76/551949676.db2.gz FFGQCGJWVDDDEL-LAUBAEHRSA-N 2 1 370.497 1.506 20 30 FDEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148919 551949677 /nfs/dbraw/zinc/94/96/77/551949677.db2.gz FFGQCGJWVDDDEL-LAUBAEHRSA-N 2 1 370.497 1.506 20 30 FDEDMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000592957579 552048717 /nfs/dbraw/zinc/04/87/17/552048717.db2.gz PEBSHQCBDFPSGR-QGZVFWFLSA-N 2 1 357.458 1.424 20 30 FDEDMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438499 552310180 /nfs/dbraw/zinc/31/01/80/552310180.db2.gz JGWOTRABSLSOAW-LJQANCHMSA-N 2 1 357.502 1.678 20 30 FDEDMP N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000596067338 552651846 /nfs/dbraw/zinc/65/18/46/552651846.db2.gz ZIWSZJKEYNRGFA-OALUTQOASA-N 2 1 359.470 1.335 20 30 FDEDMP N#Cc1cnn2cc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)cnc12 ZINC000597187644 552758997 /nfs/dbraw/zinc/75/89/97/552758997.db2.gz RQURAGAKIPNUHD-IBGZPJMESA-N 2 1 362.437 1.457 20 30 FDEDMP C[C@@H]1CC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599942226 553180424 /nfs/dbraw/zinc/18/04/24/553180424.db2.gz XJSHCLTZAWDTRI-VQIMIIECSA-N 2 1 355.486 1.916 20 30 FDEDMP N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722913 553307031 /nfs/dbraw/zinc/30/70/31/553307031.db2.gz RXHWTZHPFZJYQN-RTBURBONSA-N 2 1 370.497 1.528 20 30 FDEDMP Cc1cc(N2CCC([NH2+]C[C@H](O)CC3(C#N)CCOCC3)CC2)nc(C)[nH+]1 ZINC000600731432 553308946 /nfs/dbraw/zinc/30/89/46/553308946.db2.gz XHIRGLHFMXSPGA-GOSISDBHSA-N 2 1 373.501 1.723 20 30 FDEDMP N#Cc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000602546644 553604099 /nfs/dbraw/zinc/60/40/99/553604099.db2.gz DQBPXAYVSSCLJI-SFHVURJKSA-N 2 1 363.465 1.940 20 30 FDEDMP N#Cc1cccc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)n1 ZINC000602546644 553604101 /nfs/dbraw/zinc/60/41/01/553604101.db2.gz DQBPXAYVSSCLJI-SFHVURJKSA-N 2 1 363.465 1.940 20 30 FDEDMP C[NH+]=C(NCc1nccn1C(F)F)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261862842 672685004 /nfs/dbraw/zinc/68/50/04/672685004.db2.gz YPNDWUPEMCQIMM-CYBMUJFWSA-N 2 1 356.421 1.008 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCSC2(CCCCC2)C1 ZINC000261914672 672693175 /nfs/dbraw/zinc/69/31/75/672693175.db2.gz JRYGRBWHTLAIKW-QGZVFWFLSA-N 2 1 367.607 1.949 20 30 FDEDMP C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261974057 672705197 /nfs/dbraw/zinc/70/51/97/672705197.db2.gz NILVDCLAMAAFEK-ZWNOBZJWSA-N 2 1 358.412 1.587 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261995931 672708535 /nfs/dbraw/zinc/70/85/35/672708535.db2.gz SIIDIIUIRRTLTP-LZLYRXPVSA-N 2 1 364.563 1.779 20 30 FDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262412973 672785553 /nfs/dbraw/zinc/78/55/53/672785553.db2.gz LUKAFDAPAICLQR-TWMKSMIVSA-N 2 1 352.523 1.322 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)CC[NH+]1CCN(CC)CC1)C(C)C ZINC000266822719 673198798 /nfs/dbraw/zinc/19/87/98/673198798.db2.gz IZBWFCJZOWNXIP-IBGZPJMESA-N 2 1 350.551 1.829 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000303876842 676543515 /nfs/dbraw/zinc/54/35/15/676543515.db2.gz FBJFOCJLEGUCJM-CABCVRRESA-N 2 1 353.511 1.775 20 30 FDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330035569 676669539 /nfs/dbraw/zinc/66/95/39/676669539.db2.gz XOEJLDVAGYIBKY-GOSISDBHSA-N 2 1 351.539 1.533 20 30 FDEDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330127377 676674430 /nfs/dbraw/zinc/67/44/30/676674430.db2.gz COKYGFRPPLNPNQ-BZZMCLGOSA-N 2 1 352.523 1.597 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378424624 678746766 /nfs/dbraw/zinc/74/67/66/678746766.db2.gz FGAVGXCBRLYRJL-RBUKOAKNSA-N 2 1 350.551 1.759 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656311083 774897741 /nfs/dbraw/zinc/89/77/41/774897741.db2.gz IWBOLPZLOSNLBR-MSOLQXFVSA-N 2 1 362.518 1.276 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104371848 778251092 /nfs/dbraw/zinc/25/10/92/778251092.db2.gz JLVYYFRBMJVJEP-HZPDHXFCSA-N 2 1 362.474 1.074 20 30 FDEDMP C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626208 792341107 /nfs/dbraw/zinc/34/11/07/792341107.db2.gz MADJTTOEOLAIJQ-GOSISDBHSA-N 2 1 352.486 1.806 20 30 FDEDMP C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626208 792341126 /nfs/dbraw/zinc/34/11/26/792341126.db2.gz MADJTTOEOLAIJQ-GOSISDBHSA-N 2 1 352.486 1.806 20 30 FDEDMP C=CC[C@]1(C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000662760588 803085232 /nfs/dbraw/zinc/08/52/32/803085232.db2.gz XQBZGLBBUWLCIQ-OAQYLSRUSA-N 2 1 356.514 1.965 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000330437219 819614183 /nfs/dbraw/zinc/61/41/83/819614183.db2.gz ROTGULRDVPTUIZ-MBOZVWFJSA-N 2 1 364.534 1.862 20 30 FDEDMP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000330826521 819644465 /nfs/dbraw/zinc/64/44/65/819644465.db2.gz FYDIUJDONJXYDD-UHFFFAOYSA-N 2 1 367.538 1.022 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001087828250 822519679 /nfs/dbraw/zinc/51/96/79/822519679.db2.gz FMMSZGGGSCQUCG-YTQUADARSA-N 2 1 370.497 1.988 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1cc(C#N)ccc1OC ZINC001087828250 822519682 /nfs/dbraw/zinc/51/96/82/822519682.db2.gz FMMSZGGGSCQUCG-YTQUADARSA-N 2 1 370.497 1.988 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1cc(C#N)ccc1OC ZINC001087828250 822519686 /nfs/dbraw/zinc/51/96/86/822519686.db2.gz FMMSZGGGSCQUCG-YTQUADARSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnoc3C)[C@@H]2CC)CC1 ZINC001087840188 822559176 /nfs/dbraw/zinc/55/91/76/822559176.db2.gz LMZNMLFNPVMQAM-RBUKOAKNSA-N 2 1 358.486 1.797 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCOC3)[C@@H]2CC)CC1 ZINC001087840439 822559771 /nfs/dbraw/zinc/55/97/71/822559771.db2.gz XPDGIMFLAQUIDT-YSIASYRMSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973001 824304222 /nfs/dbraw/zinc/30/42/22/824304222.db2.gz FQKNGTCBFMXWHF-JTDSTZFVSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973001 824304228 /nfs/dbraw/zinc/30/42/28/824304228.db2.gz FQKNGTCBFMXWHF-JTDSTZFVSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973001 824304235 /nfs/dbraw/zinc/30/42/35/824304235.db2.gz FQKNGTCBFMXWHF-JTDSTZFVSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973001 824304241 /nfs/dbraw/zinc/30/42/41/824304241.db2.gz FQKNGTCBFMXWHF-JTDSTZFVSA-N 2 1 355.486 1.594 20 30 FDEDMP C[C@@H]1C[C@@H](NC(NCC(=O)N(C)C)=[NH+][C@H]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000262271540 824499561 /nfs/dbraw/zinc/49/95/61/824499561.db2.gz GWNSMRGANQLIBU-KONPQCLYSA-N 2 1 363.550 1.814 20 30 FDEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000329483968 824829129 /nfs/dbraw/zinc/82/91/29/824829129.db2.gz FLVFKLVRJZHJPX-SFHVURJKSA-N 2 1 366.550 1.945 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262404589 826376984 /nfs/dbraw/zinc/37/69/84/826376984.db2.gz OISQNFZHJDAYKE-XDNAFOTISA-N 2 1 364.534 1.420 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C(F)(F)F ZINC001112178820 827163870 /nfs/dbraw/zinc/16/38/70/827163870.db2.gz FVRRFMPCOYMQHC-HUUCEWRRSA-N 2 1 363.424 1.654 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001088199290 827428719 /nfs/dbraw/zinc/42/87/19/827428719.db2.gz JOHSURKPYNSWKQ-ILXRZTDVSA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001088199290 827428721 /nfs/dbraw/zinc/42/87/21/827428721.db2.gz JOHSURKPYNSWKQ-ILXRZTDVSA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199290 827428727 /nfs/dbraw/zinc/42/87/27/827428727.db2.gz JOHSURKPYNSWKQ-ILXRZTDVSA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]2C1 ZINC001088199290 827428734 /nfs/dbraw/zinc/42/87/34/827428734.db2.gz JOHSURKPYNSWKQ-ILXRZTDVSA-N 2 1 356.308 1.627 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)C1 ZINC001088200319 827434387 /nfs/dbraw/zinc/43/43/87/827434387.db2.gz XZAKOEUNOUEZHM-NEWSRXKRSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)C1 ZINC001088200319 827434390 /nfs/dbraw/zinc/43/43/90/827434390.db2.gz XZAKOEUNOUEZHM-NEWSRXKRSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4F)CC[C@@H]3C2)C1 ZINC001088200319 827434394 /nfs/dbraw/zinc/43/43/94/827434394.db2.gz XZAKOEUNOUEZHM-NEWSRXKRSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnoc4C)CC[C@@H]3C2)CC1 ZINC001088212040 827492505 /nfs/dbraw/zinc/49/25/05/827492505.db2.gz LRUQEYHZDOKMFP-QUCCMNQESA-N 2 1 370.497 1.609 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179070151 827814008 /nfs/dbraw/zinc/81/40/08/827814008.db2.gz NMUWQHGDOYMJPX-MJGOQNOKSA-N 2 1 356.514 1.946 20 30 FDEDMP C[N@H+]1CCC[C@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406541 829389275 /nfs/dbraw/zinc/38/92/75/829389275.db2.gz ONNAMEJBBWOKTC-LPHOPBHVSA-N 2 1 351.450 1.702 20 30 FDEDMP C[N@@H+]1CCC[C@H]2C[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406541 829389286 /nfs/dbraw/zinc/38/92/86/829389286.db2.gz ONNAMEJBBWOKTC-LPHOPBHVSA-N 2 1 351.450 1.702 20 30 FDEDMP C[N@H+]1CCC[C@H]2C[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406541 829389292 /nfs/dbraw/zinc/38/92/92/829389292.db2.gz ONNAMEJBBWOKTC-LPHOPBHVSA-N 2 1 351.450 1.702 20 30 FDEDMP C[NH+]1CCC[C@H]2C[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406541 829389301 /nfs/dbraw/zinc/38/93/01/829389301.db2.gz ONNAMEJBBWOKTC-LPHOPBHVSA-N 2 1 351.450 1.702 20 30 FDEDMP C[NH+]1CCC[C@H]2C[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@@H]21 ZINC000528406541 829389309 /nfs/dbraw/zinc/38/93/09/829389309.db2.gz ONNAMEJBBWOKTC-LPHOPBHVSA-N 2 1 351.450 1.702 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)COc1ccccc1C#N ZINC000528427438 829399157 /nfs/dbraw/zinc/39/91/57/829399157.db2.gz YXEYJACGXIBBRH-AJYBTWMASA-N 2 1 359.470 1.481 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)COc1ccccc1C#N ZINC000528427438 829399169 /nfs/dbraw/zinc/39/91/69/829399169.db2.gz YXEYJACGXIBBRH-AJYBTWMASA-N 2 1 359.470 1.481 20 30 FDEDMP CN1CC[NH+]=C1NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000263136946 832541774 /nfs/dbraw/zinc/54/17/74/832541774.db2.gz NSKOXYNSNJSTJX-UHFFFAOYSA-N 2 1 357.502 1.249 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)C1=O ZINC001088791942 844376283 /nfs/dbraw/zinc/37/62/83/844376283.db2.gz LLKLRQOULPOAEK-IKGGRYGDSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H]2C)C1=O ZINC001088791942 844376293 /nfs/dbraw/zinc/37/62/93/844376293.db2.gz LLKLRQOULPOAEK-IKGGRYGDSA-N 2 1 362.518 1.227 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000897592236 839817709 /nfs/dbraw/zinc/81/77/09/839817709.db2.gz SEMKXFOHSHVEFH-QUCCMNQESA-N 2 1 354.498 1.729 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105642076 842302000 /nfs/dbraw/zinc/30/20/00/842302000.db2.gz HMMOCUBUUJEPLT-IZBJGVDFSA-N 2 1 358.486 1.181 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105666538 843200722 /nfs/dbraw/zinc/20/07/22/843200722.db2.gz GQNXJZNZJZZQMW-HNBVOPMISA-N 2 1 351.535 1.870 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000481881127 847068493 /nfs/dbraw/zinc/06/84/93/847068493.db2.gz ZDVPIDMIJUFAJL-IAGOWNOFSA-N 2 1 364.534 1.380 20 30 FDEDMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076462338 848211823 /nfs/dbraw/zinc/21/18/23/848211823.db2.gz QPZOSQXQHBAHCY-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076462338 848211835 /nfs/dbraw/zinc/21/18/35/848211835.db2.gz QPZOSQXQHBAHCY-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076462338 848211842 /nfs/dbraw/zinc/21/18/42/848211842.db2.gz QPZOSQXQHBAHCY-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076462338 848211852 /nfs/dbraw/zinc/21/18/52/848211852.db2.gz QPZOSQXQHBAHCY-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C=CC[NH+]=C(NCc1ccc(O)cc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000912517983 859841969 /nfs/dbraw/zinc/84/19/69/859841969.db2.gz IUWZTJSRABKKTC-GOSISDBHSA-N 2 1 358.486 1.678 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3c(C)noc3C)[C@@H]2C)CC1 ZINC001089059119 866381898 /nfs/dbraw/zinc/38/18/98/866381898.db2.gz AFKVREGOSSSMRM-BEFAXECRSA-N 2 1 358.486 1.716 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)nc3)[C@@H]2C)CC1 ZINC001089059628 866387107 /nfs/dbraw/zinc/38/71/07/866387107.db2.gz UTDZJVDJRJDIHD-BEFAXECRSA-N 2 1 355.486 1.209 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)nc3)[C@@H]2C)CC1 ZINC001089059628 866387121 /nfs/dbraw/zinc/38/71/21/866387121.db2.gz UTDZJVDJRJDIHD-BEFAXECRSA-N 2 1 355.486 1.209 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000730285248 868208026 /nfs/dbraw/zinc/20/80/26/868208026.db2.gz JVWOYJPSMAEIDW-FQEVSTJZSA-N 2 1 355.482 1.357 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000730285248 868208039 /nfs/dbraw/zinc/20/80/39/868208039.db2.gz JVWOYJPSMAEIDW-FQEVSTJZSA-N 2 1 355.482 1.357 20 30 FDEDMP CNC(=O)CC1CCN(C(NCC(C)(C)[N@H+]2CCC[C@H](C)C2)=[NH+]C)CC1 ZINC000153028657 873454176 /nfs/dbraw/zinc/45/41/76/873454176.db2.gz XPCYGQTUKDWHMF-INIZCTEOSA-N 2 1 365.566 1.920 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)C1 ZINC001106432563 875268622 /nfs/dbraw/zinc/26/86/22/875268622.db2.gz XTFLFZRUUMZIRF-YLJYHZDGSA-N 2 1 350.466 1.927 20 30 FDEDMP CC#CC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089942470 912674073 /nfs/dbraw/zinc/67/40/73/912674073.db2.gz WMCNKZUQVIMORP-CEXWTWQISA-N 2 1 361.530 1.727 20 30 FDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089942470 912674082 /nfs/dbraw/zinc/67/40/82/912674082.db2.gz WMCNKZUQVIMORP-CEXWTWQISA-N 2 1 361.530 1.727 20 30 FDEDMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089942470 912674090 /nfs/dbraw/zinc/67/40/90/912674090.db2.gz WMCNKZUQVIMORP-CEXWTWQISA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000919052963 885251412 /nfs/dbraw/zinc/25/14/12/885251412.db2.gz WXNFJDXDUBSMIP-PKOBYXMFSA-N 2 1 364.534 1.520 20 30 FDEDMP C=CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370088 885923892 /nfs/dbraw/zinc/92/38/92/885923892.db2.gz HCXDLBYIDKZCFK-QRVBRYPASA-N 2 1 365.518 1.126 20 30 FDEDMP C=CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370088 885923900 /nfs/dbraw/zinc/92/39/00/885923900.db2.gz HCXDLBYIDKZCFK-QRVBRYPASA-N 2 1 365.518 1.126 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681542 887386758 /nfs/dbraw/zinc/38/67/58/887386758.db2.gz XBPNCHONDSABBM-RDTXWAMCSA-N 2 1 356.470 1.455 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681542 887386770 /nfs/dbraw/zinc/38/67/70/887386770.db2.gz XBPNCHONDSABBM-RDTXWAMCSA-N 2 1 356.470 1.455 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OCC(F)(F)F)nc1 ZINC000187048826 887585695 /nfs/dbraw/zinc/58/56/95/887585695.db2.gz DYFNTZVISYYPDQ-AWEZNQCLSA-N 2 1 373.423 1.954 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCc3ccccc3)C[C@@H]2O)CC1 ZINC001084088175 913362893 /nfs/dbraw/zinc/36/28/93/913362893.db2.gz VBPYIPCTZMECSP-RTWAWAEBSA-N 2 1 369.509 1.126 20 30 FDEDMP Nc1nccc([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000328763262 889895794 /nfs/dbraw/zinc/89/57/94/889895794.db2.gz ZYMCUMFAJZFRJA-CQSZACIVSA-N 2 1 358.490 1.822 20 30 FDEDMP Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000328763262 889895803 /nfs/dbraw/zinc/89/58/03/889895803.db2.gz ZYMCUMFAJZFRJA-CQSZACIVSA-N 2 1 358.490 1.822 20 30 FDEDMP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001079141352 902031864 /nfs/dbraw/zinc/03/18/64/902031864.db2.gz AIVNQZWEQBNGNP-MJUUVYJYSA-N 2 1 371.525 1.977 20 30 FDEDMP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001079141352 902031873 /nfs/dbraw/zinc/03/18/73/902031873.db2.gz AIVNQZWEQBNGNP-MJUUVYJYSA-N 2 1 371.525 1.977 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001079141352 902031877 /nfs/dbraw/zinc/03/18/77/902031877.db2.gz AIVNQZWEQBNGNP-MJUUVYJYSA-N 2 1 371.525 1.977 20 30 FDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001079141352 902031887 /nfs/dbraw/zinc/03/18/87/902031887.db2.gz AIVNQZWEQBNGNP-MJUUVYJYSA-N 2 1 371.525 1.977 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710469 903119885 /nfs/dbraw/zinc/11/98/85/903119885.db2.gz JLIXNHPGJHIVLI-UIAACRFSSA-N 2 1 352.482 1.837 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726355 903146741 /nfs/dbraw/zinc/14/67/41/903146741.db2.gz QDBXYQVHMPOXPX-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726355 903146746 /nfs/dbraw/zinc/14/67/46/903146746.db2.gz QDBXYQVHMPOXPX-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726355 903146754 /nfs/dbraw/zinc/14/67/54/903146754.db2.gz QDBXYQVHMPOXPX-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726355 903146762 /nfs/dbraw/zinc/14/67/62/903146762.db2.gz QDBXYQVHMPOXPX-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796525 905017641 /nfs/dbraw/zinc/01/76/41/905017641.db2.gz ZKAQYCLYLQXFGT-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796525 905017661 /nfs/dbraw/zinc/01/76/61/905017661.db2.gz ZKAQYCLYLQXFGT-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796525 905017679 /nfs/dbraw/zinc/01/76/79/905017679.db2.gz ZKAQYCLYLQXFGT-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cc1C#N ZINC001080441658 905441856 /nfs/dbraw/zinc/44/18/56/905441856.db2.gz USCYOTKLKOJMTQ-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC[C@H]3C)C2)cc1C#N ZINC001080441658 905441866 /nfs/dbraw/zinc/44/18/66/905441866.db2.gz USCYOTKLKOJMTQ-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)C2)cc1C#N ZINC001080441658 905441877 /nfs/dbraw/zinc/44/18/77/905441877.db2.gz USCYOTKLKOJMTQ-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)cc1C#N ZINC001080441658 905441892 /nfs/dbraw/zinc/44/18/92/905441892.db2.gz USCYOTKLKOJMTQ-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)s3)C[C@H]2C)CC1 ZINC001080997714 906972532 /nfs/dbraw/zinc/97/25/32/906972532.db2.gz JLEMKSGKTGALCW-RDTXWAMCSA-N 2 1 360.527 1.733 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001082740810 909936604 /nfs/dbraw/zinc/93/66/04/909936604.db2.gz GYEUZTTVALSDLW-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082741782 909942075 /nfs/dbraw/zinc/94/20/75/909942075.db2.gz COCUMNNKSCHCEJ-SQGPQFPESA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082861813 910523163 /nfs/dbraw/zinc/52/31/63/910523163.db2.gz PKPRRDSKCULBJA-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082861761 910523213 /nfs/dbraw/zinc/52/32/13/910523213.db2.gz NSEDHNFJZYWSRF-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)c4cnccn4)C[C@H]32)CC1 ZINC001084851190 917658856 /nfs/dbraw/zinc/65/88/56/917658856.db2.gz QYYOUOIKCZLSDO-ILZDJORESA-N 2 1 367.497 1.416 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)c4cnccn4)C[C@H]32)CC1 ZINC001084851190 917658859 /nfs/dbraw/zinc/65/88/59/917658859.db2.gz QYYOUOIKCZLSDO-ILZDJORESA-N 2 1 367.497 1.416 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H](CC)OC)[C@H]3C2)CC1 ZINC001085100524 920914416 /nfs/dbraw/zinc/91/44/16/920914416.db2.gz KBLAERIOELEFLO-RLLQIKCJSA-N 2 1 361.530 1.679 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982928 930965665 /nfs/dbraw/zinc/96/56/65/930965665.db2.gz YRFGDIUGBHSTTE-SQNIBIBYSA-N 2 1 372.513 1.004 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982928 930965669 /nfs/dbraw/zinc/96/56/69/930965669.db2.gz YRFGDIUGBHSTTE-SQNIBIBYSA-N 2 1 372.513 1.004 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C3)C1=O ZINC001110018077 931114285 /nfs/dbraw/zinc/11/42/85/931114285.db2.gz ZYUCOAZCPWETSQ-OWSLCNJRSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C3)C1=O ZINC001110018077 931114288 /nfs/dbraw/zinc/11/42/88/931114288.db2.gz ZYUCOAZCPWETSQ-OWSLCNJRSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C3)C1=O ZINC001110018077 931114293 /nfs/dbraw/zinc/11/42/93/931114293.db2.gz ZYUCOAZCPWETSQ-OWSLCNJRSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C3)C1=O ZINC001110018077 931114299 /nfs/dbraw/zinc/11/42/99/931114299.db2.gz ZYUCOAZCPWETSQ-OWSLCNJRSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cncn1C ZINC001131007804 940434127 /nfs/dbraw/zinc/43/41/27/940434127.db2.gz MGCJFLZBDCNVSC-BRWVUGGUSA-N 2 1 368.485 1.654 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCC)C1 ZINC001131010638 940441856 /nfs/dbraw/zinc/44/18/56/940441856.db2.gz WNWOBQQLZCZLSH-QRVBRYPASA-N 2 1 371.529 1.592 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCCC)C1 ZINC001131010638 940441859 /nfs/dbraw/zinc/44/18/59/940441859.db2.gz WNWOBQQLZCZLSH-QRVBRYPASA-N 2 1 371.529 1.592 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001131515278 940679772 /nfs/dbraw/zinc/67/97/72/940679772.db2.gz BFBVGANXGFIALY-SBHAEUEKSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090881108 947598953 /nfs/dbraw/zinc/59/89/53/947598953.db2.gz ZUZJBNAELGMDFP-FFZOFVMBSA-N 2 1 355.482 1.554 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222189 971560818 /nfs/dbraw/zinc/56/08/18/971560818.db2.gz IVCTUGOCKGKXNX-DFQSSKMNSA-N 2 1 359.514 1.677 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222189 971560825 /nfs/dbraw/zinc/56/08/25/971560825.db2.gz IVCTUGOCKGKXNX-DFQSSKMNSA-N 2 1 359.514 1.677 20 30 FDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC001196222189 971560834 /nfs/dbraw/zinc/56/08/34/971560834.db2.gz IVCTUGOCKGKXNX-DFQSSKMNSA-N 2 1 359.514 1.677 20 30 FDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001196222189 971560840 /nfs/dbraw/zinc/56/08/40/971560840.db2.gz IVCTUGOCKGKXNX-DFQSSKMNSA-N 2 1 359.514 1.677 20 30 FDEDMP NC(=O)c1ccc(C(=[NH2+])Nc2cccc3c2NC(=O)C32CC[NH2+]CC2)cc1 ZINC001171258939 951728866 /nfs/dbraw/zinc/72/88/66/951728866.db2.gz QVCDHWYPASKZIV-UHFFFAOYSA-N 2 1 363.421 1.396 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690061 952662033 /nfs/dbraw/zinc/66/20/33/952662033.db2.gz GWFNVBSLSOLDFY-ZTNFWEORSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690061 952662036 /nfs/dbraw/zinc/66/20/36/952662036.db2.gz GWFNVBSLSOLDFY-ZTNFWEORSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690061 952662039 /nfs/dbraw/zinc/66/20/39/952662039.db2.gz GWFNVBSLSOLDFY-ZTNFWEORSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690061 952662042 /nfs/dbraw/zinc/66/20/42/952662042.db2.gz GWFNVBSLSOLDFY-ZTNFWEORSA-N 2 1 355.486 1.594 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086982453 952995357 /nfs/dbraw/zinc/99/53/57/952995357.db2.gz KLVQRAAKOCPLRK-BBWFWOEESA-N 2 1 365.909 1.397 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](OCC)C1 ZINC001087060245 953203333 /nfs/dbraw/zinc/20/33/33/953203333.db2.gz WIKAPKWZDNQPEQ-HSALFYBXSA-N 2 1 370.497 1.132 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2)[C@H](OCC)C1 ZINC001087060245 953203334 /nfs/dbraw/zinc/20/33/34/953203334.db2.gz WIKAPKWZDNQPEQ-HSALFYBXSA-N 2 1 370.497 1.132 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092505119 955278786 /nfs/dbraw/zinc/27/87/86/955278786.db2.gz IIKCDIVTDQDCBB-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092505119 955278792 /nfs/dbraw/zinc/27/87/92/955278792.db2.gz IIKCDIVTDQDCBB-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092505119 955278799 /nfs/dbraw/zinc/27/87/99/955278799.db2.gz IIKCDIVTDQDCBB-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@H]2C)CC1 ZINC001093222087 957849473 /nfs/dbraw/zinc/84/94/73/957849473.db2.gz HAUQZZCIXCGKQL-WIYYLYMNSA-N 2 1 368.525 1.919 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)c3ncccn3)C[C@H]2C)CC1 ZINC001093223579 957853943 /nfs/dbraw/zinc/85/39/43/957853943.db2.gz BUKKXPVIVQEGOS-ZHALLVOQSA-N 2 1 369.513 1.567 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C(C)C)C[C@H]1O ZINC001093468352 958217843 /nfs/dbraw/zinc/21/78/43/958217843.db2.gz ZGSUXCLREAZCHX-REHHDOPLSA-N 2 1 363.546 1.870 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)C1=O ZINC001110148321 958570767 /nfs/dbraw/zinc/57/07/67/958570767.db2.gz UPHJCPWKDMGFSW-YDZRNGNQSA-N 2 1 374.529 1.371 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)C1=O ZINC001110148321 958570776 /nfs/dbraw/zinc/57/07/76/958570776.db2.gz UPHJCPWKDMGFSW-YDZRNGNQSA-N 2 1 374.529 1.371 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527400 964278554 /nfs/dbraw/zinc/27/85/54/964278554.db2.gz KVFBGLKIIQRESO-FGTMMUONSA-N 2 1 364.534 1.121 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167084 966827164 /nfs/dbraw/zinc/82/71/64/966827164.db2.gz ATQFHIFRNPKSDI-YESZJQIVSA-N 2 1 364.534 1.188 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167084 966827172 /nfs/dbraw/zinc/82/71/72/966827172.db2.gz ATQFHIFRNPKSDI-YESZJQIVSA-N 2 1 364.534 1.188 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167084 966827179 /nfs/dbraw/zinc/82/71/79/966827179.db2.gz ATQFHIFRNPKSDI-YESZJQIVSA-N 2 1 364.534 1.188 20 30 FDEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446171 969132928 /nfs/dbraw/zinc/13/29/28/969132928.db2.gz XGTPOBMWTFTIQZ-NJYVYQBISA-N 2 1 369.509 1.514 20 30 FDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446171 969132932 /nfs/dbraw/zinc/13/29/32/969132932.db2.gz XGTPOBMWTFTIQZ-NJYVYQBISA-N 2 1 369.509 1.514 20 30 FDEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001192446171 969132935 /nfs/dbraw/zinc/13/29/35/969132935.db2.gz XGTPOBMWTFTIQZ-NJYVYQBISA-N 2 1 369.509 1.514 20 30 FDEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)[C@H]1CCCO1 ZINC000776228376 975190882 /nfs/dbraw/zinc/19/08/82/975190882.db2.gz QGBUASFTWFNCPQ-OKZBNKHCSA-N 2 1 350.507 1.225 20 30 FDEDMP CCC(CC)[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[NH+]1CCOCC1 ZINC000884184800 982960394 /nfs/dbraw/zinc/96/03/94/982960394.db2.gz ZYNAFZQRGNNFBG-SFANZJOMSA-N 2 1 362.518 1.379 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000332485663 983063318 /nfs/dbraw/zinc/06/33/18/983063318.db2.gz NPCSFNISJLJTFK-SJLPKXTDSA-N 2 1 362.518 1.086 20 30 FDEDMP C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[N@@H+]1Cc1ccccc1 ZINC000884427118 983149744 /nfs/dbraw/zinc/14/97/44/983149744.db2.gz IFNMRFFJVDFRTI-OMMGITJUSA-N 2 1 352.482 1.859 20 30 FDEDMP C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[N@H+]1Cc1ccccc1 ZINC000884427118 983149745 /nfs/dbraw/zinc/14/97/45/983149745.db2.gz IFNMRFFJVDFRTI-OMMGITJUSA-N 2 1 352.482 1.859 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884466939 983172065 /nfs/dbraw/zinc/17/20/65/983172065.db2.gz KMOMQDBPNRCGNR-HXUWFJFHSA-N 2 1 369.513 1.690 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884466939 983172069 /nfs/dbraw/zinc/17/20/69/983172069.db2.gz KMOMQDBPNRCGNR-HXUWFJFHSA-N 2 1 369.513 1.690 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000296468706 989225626 /nfs/dbraw/zinc/22/56/26/989225626.db2.gz WGJHJFAKOUARPT-GOSISDBHSA-N 2 1 372.513 1.662 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000296468706 989225636 /nfs/dbraw/zinc/22/56/36/989225636.db2.gz WGJHJFAKOUARPT-GOSISDBHSA-N 2 1 372.513 1.662 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000296468706 989225647 /nfs/dbraw/zinc/22/56/47/989225647.db2.gz WGJHJFAKOUARPT-GOSISDBHSA-N 2 1 372.513 1.662 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000296468706 989225661 /nfs/dbraw/zinc/22/56/61/989225661.db2.gz WGJHJFAKOUARPT-GOSISDBHSA-N 2 1 372.513 1.662 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000296468706 989225672 /nfs/dbraw/zinc/22/56/72/989225672.db2.gz WGJHJFAKOUARPT-GOSISDBHSA-N 2 1 372.513 1.662 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000296907722 989448283 /nfs/dbraw/zinc/44/82/83/989448283.db2.gz NNDWTAMDWUYPFT-UHFFFAOYSA-N 2 1 372.513 1.398 20 30 FDEDMP N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000923651568 992776422 /nfs/dbraw/zinc/77/64/22/992776422.db2.gz HOELQHHIMXQZGJ-SFHVURJKSA-N 2 1 362.499 1.194 20 30 FDEDMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000877228884 993119999 /nfs/dbraw/zinc/11/99/99/993119999.db2.gz FHQHFCVQSNGKJL-FQEVSTJZSA-N 2 1 355.482 1.315 20 30 FDEDMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000877228884 993120005 /nfs/dbraw/zinc/12/00/05/993120005.db2.gz FHQHFCVQSNGKJL-FQEVSTJZSA-N 2 1 355.482 1.315 20 30 FDEDMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000877229968 993122077 /nfs/dbraw/zinc/12/20/77/993122077.db2.gz UOPPJOLTGVDPNP-OALUTQOASA-N 2 1 358.486 1.723 20 30 FDEDMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000877229968 993122086 /nfs/dbraw/zinc/12/20/86/993122086.db2.gz UOPPJOLTGVDPNP-OALUTQOASA-N 2 1 358.486 1.723 20 30 FDEDMP N#Cc1cccc(CNC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000466905931 993246830 /nfs/dbraw/zinc/24/68/30/993246830.db2.gz XEXUAJCPTUPYBP-UHFFFAOYSA-N 2 1 370.497 1.751 20 30 FDEDMP N#CC[C@]1(O)CC[N@@H+](C[C@@H](C[NH+]2CC[C@](O)(CC#N)C2)C2CCCC2)C1 ZINC000878762325 994205293 /nfs/dbraw/zinc/20/52/93/994205293.db2.gz YIYDJCDWKPWKSX-OWZKRDHZSA-N 2 1 360.502 1.494 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](C[C@@H](C[N@@H+]2CC[C@](O)(CC#N)C2)C2CCCC2)C1 ZINC000878762325 994205307 /nfs/dbraw/zinc/20/53/07/994205307.db2.gz YIYDJCDWKPWKSX-OWZKRDHZSA-N 2 1 360.502 1.494 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](C[C@@H](C[N@H+]2CC[C@](O)(CC#N)C2)C2CCCC2)C1 ZINC000878762325 994205317 /nfs/dbraw/zinc/20/53/17/994205317.db2.gz YIYDJCDWKPWKSX-OWZKRDHZSA-N 2 1 360.502 1.494 20 30 FDEDMP COCC[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000879122236 994555416 /nfs/dbraw/zinc/55/54/16/994555416.db2.gz JRZQCFWXHIAHPI-LJQANCHMSA-N 2 1 361.486 1.588 20 30 FDEDMP C#CCC1([NH2+]CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CCOCC1 ZINC000887124386 996954149 /nfs/dbraw/zinc/95/41/49/996954149.db2.gz BHABMLUDJJUUND-UHFFFAOYSA-N 2 1 369.509 1.801 20 30 FDEDMP C[N@@H+](CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1)Cc1ccccc1 ZINC000264076500 997396671 /nfs/dbraw/zinc/39/66/71/997396671.db2.gz HKRDMSXJRNOFOW-UHFFFAOYSA-N 2 1 367.501 1.435 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000264114006 997405627 /nfs/dbraw/zinc/40/56/27/997405627.db2.gz PNMMQGJHENIHCL-WBVHZDCISA-N 2 1 360.506 1.195 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3nc(C#N)cs3)CC2)CC1 ZINC000887978685 997991659 /nfs/dbraw/zinc/99/16/59/997991659.db2.gz DYXDLTHPSPAZCO-UHFFFAOYSA-N 2 1 361.515 1.827 20 30 FDEDMP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000266983150 999283120 /nfs/dbraw/zinc/28/31/20/999283120.db2.gz NYVXTHUHTNKFIT-AWEZNQCLSA-N 2 1 371.451 1.993 20 30 FDEDMP C#CCNC(=O)CC[NH+](C)Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930863552 1003602558 /nfs/dbraw/zinc/60/25/58/1003602558.db2.gz XGFCYHWJRZQEHZ-HDICACEKSA-N 2 1 357.498 1.867 20 30 FDEDMP C#CCNC(=O)CC[N@@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930863552 1003602563 /nfs/dbraw/zinc/60/25/63/1003602563.db2.gz XGFCYHWJRZQEHZ-HDICACEKSA-N 2 1 357.498 1.867 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)C1 ZINC000931766209 1004480177 /nfs/dbraw/zinc/48/01/77/1004480177.db2.gz AREKBTCRBYFZRZ-QGZVFWFLSA-N 2 1 374.485 1.855 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)C1 ZINC000931766209 1004480183 /nfs/dbraw/zinc/48/01/83/1004480183.db2.gz AREKBTCRBYFZRZ-QGZVFWFLSA-N 2 1 374.485 1.855 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)C1 ZINC000931766208 1004480463 /nfs/dbraw/zinc/48/04/63/1004480463.db2.gz AREKBTCRBYFZRZ-KRWDZBQOSA-N 2 1 374.485 1.855 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(OCC[NH+](C)C)c(OC)c2)C1 ZINC000931766208 1004480469 /nfs/dbraw/zinc/48/04/69/1004480469.db2.gz AREKBTCRBYFZRZ-KRWDZBQOSA-N 2 1 374.485 1.855 20 30 FDEDMP CCc1ccc([C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)N(C)C)cc1 ZINC000303785411 1009582743 /nfs/dbraw/zinc/58/27/43/1009582743.db2.gz QHFCFRQLTSHJIL-LJQANCHMSA-N 2 1 361.534 1.478 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000303889886 1009676533 /nfs/dbraw/zinc/67/65/33/1009676533.db2.gz MGOPOKLGSHEINI-JZXOWHBKSA-N 2 1 374.533 1.584 20 30 FDEDMP CC(C)COc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000304765728 1010489980 /nfs/dbraw/zinc/48/99/80/1010489980.db2.gz ZPZMKRQSZHNAIN-UHFFFAOYSA-N 2 1 362.518 1.891 20 30 FDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)CC1 ZINC000191332347 178052437 /nfs/dbraw/zinc/05/24/37/178052437.db2.gz BLANWIXTGIWHOU-UHFFFAOYSA-N 2 1 357.502 1.663 20 30 FDEDMP C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000245792351 178381593 /nfs/dbraw/zinc/38/15/93/178381593.db2.gz CIZSCSFKODJOAP-WOJBJXKFSA-N 2 1 372.513 1.400 20 30 FDEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000245792351 178381594 /nfs/dbraw/zinc/38/15/94/178381594.db2.gz CIZSCSFKODJOAP-WOJBJXKFSA-N 2 1 372.513 1.400 20 30 FDEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000245792351 178381596 /nfs/dbraw/zinc/38/15/96/178381596.db2.gz CIZSCSFKODJOAP-WOJBJXKFSA-N 2 1 372.513 1.400 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512288090 538971015 /nfs/dbraw/zinc/97/10/15/538971015.db2.gz YGVVPGJURQRGSZ-UTKZUKDTSA-N 2 1 370.497 1.985 20 30 FDEDMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000519647240 539495680 /nfs/dbraw/zinc/49/56/80/539495680.db2.gz SDBTYIWDQDKRKT-GOSISDBHSA-N 2 1 371.485 1.353 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000553395533 543626145 /nfs/dbraw/zinc/62/61/45/543626145.db2.gz KROHLZARAUWREM-FUHWJXTLSA-N 2 1 364.534 1.474 20 30 FDEDMP Cn1cc(C#N)cc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365922446 259889168 /nfs/dbraw/zinc/88/91/68/259889168.db2.gz USFHNQYWVQUYTE-UHFFFAOYSA-N 2 1 357.502 1.823 20 30 FDEDMP COc1cc(C#N)ccc1OCCN1CCC(N2CCN(C)CC2=O)CC1 ZINC000374727215 261183176 /nfs/dbraw/zinc/18/31/76/261183176.db2.gz QYLOIMLHSQVAJT-UHFFFAOYSA-N 2 1 372.469 1.184 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000067846065 523608990 /nfs/dbraw/zinc/60/89/90/523608990.db2.gz IVAQCZRPPZDXMZ-GOSISDBHSA-N 2 1 369.509 1.869 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000067846065 523608997 /nfs/dbraw/zinc/60/89/97/523608997.db2.gz IVAQCZRPPZDXMZ-GOSISDBHSA-N 2 1 369.509 1.869 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000124663111 525045818 /nfs/dbraw/zinc/04/58/18/525045818.db2.gz XAQOLZXFRUWWBU-GOSISDBHSA-N 2 1 371.485 1.371 20 30 FDEDMP Cc1nc2ccccc2n1CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104156023 525397632 /nfs/dbraw/zinc/39/76/32/525397632.db2.gz JGSJNQYQSJLJSE-UHFFFAOYSA-N 2 1 358.490 1.361 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCOCC2)c1 ZINC000104164654 525398510 /nfs/dbraw/zinc/39/85/10/525398510.db2.gz UJZZALBKVRHCJM-IBGZPJMESA-N 2 1 359.518 1.407 20 30 FDEDMP [NH2+]=C(NCCCCc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCOCC1 ZINC000178570316 525447652 /nfs/dbraw/zinc/44/76/52/525447652.db2.gz LXLOFLMFZLNYQI-UHFFFAOYSA-N 2 1 363.462 1.544 20 30 FDEDMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180454915 525710602 /nfs/dbraw/zinc/71/06/02/525710602.db2.gz GSNBZOZTOHQJFJ-LJQANCHMSA-N 2 1 368.481 1.866 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000182721240 535851243 /nfs/dbraw/zinc/85/12/43/535851243.db2.gz TVPPXGHDNXDRPM-UHFFFAOYSA-N 2 1 351.539 1.306 20 30 FDEDMP Cc1ccc(OC(F)F)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000268058349 537009160 /nfs/dbraw/zinc/00/91/60/537009160.db2.gz CCSDVCHPKXOBPF-UHFFFAOYSA-N 2 1 356.417 1.723 20 30 FDEDMP CCOCCCNC(=[NH2+])NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000304751247 537598363 /nfs/dbraw/zinc/59/83/63/537598363.db2.gz JAXJMBANCGUIJN-UHFFFAOYSA-N 2 1 351.495 1.834 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000472284566 538617851 /nfs/dbraw/zinc/61/78/51/538617851.db2.gz LTFNPLMDYJBUHA-SCTDSRPQSA-N 2 1 352.523 1.862 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000472284566 538617859 /nfs/dbraw/zinc/61/78/59/538617859.db2.gz LTFNPLMDYJBUHA-SCTDSRPQSA-N 2 1 352.523 1.862 20 30 FDEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000577709231 550685394 /nfs/dbraw/zinc/68/53/94/550685394.db2.gz DNXZMUGMYGEHLQ-UXHICEINSA-N 2 1 370.497 1.972 20 30 FDEDMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H](O)CN(C)CCC#N)c2)CCO1 ZINC000581066861 551048325 /nfs/dbraw/zinc/04/83/25/551048325.db2.gz ZCZGFMQKHOQATC-PXNSSMCTSA-N 2 1 360.502 1.203 20 30 FDEDMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H](O)CN(C)CCC#N)c2)CCO1 ZINC000581066861 551048327 /nfs/dbraw/zinc/04/83/27/551048327.db2.gz ZCZGFMQKHOQATC-PXNSSMCTSA-N 2 1 360.502 1.203 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c2)CCO1 ZINC000594438657 552310267 /nfs/dbraw/zinc/31/02/67/552310267.db2.gz PKFNXOWCKXGYGG-APWZRJJASA-N 2 1 358.486 1.935 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])CCCCC#N)c2)CCO1 ZINC000594438657 552310269 /nfs/dbraw/zinc/31/02/69/552310269.db2.gz PKFNXOWCKXGYGG-APWZRJJASA-N 2 1 358.486 1.935 20 30 FDEDMP N#CCCC[C@H]([NH3+])C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000595258412 552506574 /nfs/dbraw/zinc/50/65/74/552506574.db2.gz UWLNXNATTWJNMN-SFHVURJKSA-N 2 1 355.486 1.479 20 30 FDEDMP C=C(C)C[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000601781812 553474589 /nfs/dbraw/zinc/47/45/89/553474589.db2.gz MDMVQPBAQZJNNT-SFHVURJKSA-N 2 1 365.518 1.807 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000609338392 554368576 /nfs/dbraw/zinc/36/85/76/554368576.db2.gz UONXBWPCMJPDSY-VQTJNVASSA-N 2 1 372.513 1.204 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000611386259 554630570 /nfs/dbraw/zinc/63/05/70/554630570.db2.gz HJCPCYZHUDMISM-QFBILLFUSA-N 2 1 358.486 1.682 20 30 FDEDMP C=C(CNC(=O)[C@@H]1CC[N@@H+](C)[C@H]1CC)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC000633654154 558343518 /nfs/dbraw/zinc/34/35/18/558343518.db2.gz MXYHFHVQLNNAOS-FZDBZEDMSA-N 2 1 364.534 1.236 20 30 FDEDMP C=C(CNC(=O)[C@@H]1CC[NH+](C)[C@H]1CC)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000633654154 558343519 /nfs/dbraw/zinc/34/35/19/558343519.db2.gz MXYHFHVQLNNAOS-FZDBZEDMSA-N 2 1 364.534 1.236 20 30 FDEDMP C=C(CNC(=O)[C@@H]1CC[NH+](C)[C@H]1CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000633654154 558343523 /nfs/dbraw/zinc/34/35/23/558343523.db2.gz MXYHFHVQLNNAOS-FZDBZEDMSA-N 2 1 364.534 1.236 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277504165 674956452 /nfs/dbraw/zinc/95/64/52/674956452.db2.gz VTLXTWZEEIIROL-ZDUSSCGKSA-N 2 1 372.922 1.632 20 30 FDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000085171363 671480878 /nfs/dbraw/zinc/48/08/78/671480878.db2.gz KTUWPPNWDUDBFI-KRWDZBQOSA-N 2 1 352.523 1.301 20 30 FDEDMP CC[N@@H+](CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000133956313 671824657 /nfs/dbraw/zinc/82/46/57/671824657.db2.gz QBBACFGXAMWXDD-OAHLLOKOSA-N 2 1 351.495 1.351 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000249490020 672565392 /nfs/dbraw/zinc/56/53/92/672565392.db2.gz ZGEIVNZYUKUKCP-LNLFQRSKSA-N 2 1 352.523 1.767 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C(C)C)[C@@H](C)C1 ZINC000249490020 672565395 /nfs/dbraw/zinc/56/53/95/672565395.db2.gz ZGEIVNZYUKUKCP-LNLFQRSKSA-N 2 1 352.523 1.767 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988883 672707562 /nfs/dbraw/zinc/70/75/62/672707562.db2.gz QVVDLFHRMHNVQO-HNNXBMFYSA-N 2 1 372.579 1.581 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988883 672707569 /nfs/dbraw/zinc/70/75/69/672707569.db2.gz QVVDLFHRMHNVQO-HNNXBMFYSA-N 2 1 372.579 1.581 20 30 FDEDMP C[C@@H]1CN(C(=[NH2+])NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000262506430 672800632 /nfs/dbraw/zinc/80/06/32/672800632.db2.gz ZZODJCJZFFNJLO-MRXNPFEDSA-N 2 1 352.523 1.836 20 30 FDEDMP C[C@@H]1CN(C(=[NH2+])NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000262506430 672800640 /nfs/dbraw/zinc/80/06/40/672800640.db2.gz ZZODJCJZFFNJLO-MRXNPFEDSA-N 2 1 352.523 1.836 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(Cl)cc1 ZINC000303784019 676543053 /nfs/dbraw/zinc/54/30/53/676543053.db2.gz OWMONMDHOLRKLQ-HNNXBMFYSA-N 2 1 351.882 1.458 20 30 FDEDMP CC(C)CC[NH+]1CCC(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000304778796 676544529 /nfs/dbraw/zinc/54/45/29/676544529.db2.gz JSVSJZWJRPFZMK-UHFFFAOYSA-N 3 1 353.555 1.371 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718946 676545199 /nfs/dbraw/zinc/54/51/99/676545199.db2.gz HVSPVMCGJYADQJ-GJZGRUSLSA-N 2 1 353.511 1.678 20 30 FDEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000329459516 676639536 /nfs/dbraw/zinc/63/95/36/676639536.db2.gz RQWKZGJCYRMEMB-DDBAPUKQSA-N 2 1 350.507 1.304 20 30 FDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330188106 676677519 /nfs/dbraw/zinc/67/75/19/676677519.db2.gz UHPDZTBMKUVETH-RNJTYBCJSA-N 2 1 350.507 1.351 20 30 FDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)C1 ZINC000362944127 676927890 /nfs/dbraw/zinc/92/78/90/676927890.db2.gz XEQUSRLCFXRRKT-INIZCTEOSA-N 2 1 361.515 1.660 20 30 FDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)C1 ZINC000362944127 676927891 /nfs/dbraw/zinc/92/78/91/676927891.db2.gz XEQUSRLCFXRRKT-INIZCTEOSA-N 2 1 361.515 1.660 20 30 FDEDMP C=C(C)CN1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194022 771234653 /nfs/dbraw/zinc/23/46/53/771234653.db2.gz RSSPGRDWECCYNC-FCEWJHQRSA-N 2 1 353.482 1.687 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194022 771234658 /nfs/dbraw/zinc/23/46/58/771234658.db2.gz RSSPGRDWECCYNC-FCEWJHQRSA-N 2 1 353.482 1.687 20 30 FDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194022 771234675 /nfs/dbraw/zinc/23/46/75/771234675.db2.gz RSSPGRDWECCYNC-FCEWJHQRSA-N 2 1 353.482 1.687 20 30 FDEDMP C=C(C)C[NH+]1C[C@H]2OCCN(C(=O)[C@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194022 771234680 /nfs/dbraw/zinc/23/46/80/771234680.db2.gz RSSPGRDWECCYNC-FCEWJHQRSA-N 2 1 353.482 1.687 20 30 FDEDMP C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668619188 782971235 /nfs/dbraw/zinc/97/12/35/782971235.db2.gz ZVWVBXKYPNHZHO-MSOLQXFVSA-N 2 1 350.507 1.084 20 30 FDEDMP C=C(C)C[C@H](NC(C)=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668619188 782971239 /nfs/dbraw/zinc/97/12/39/782971239.db2.gz ZVWVBXKYPNHZHO-MSOLQXFVSA-N 2 1 350.507 1.084 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nocc2C)C1 ZINC001104306290 774442669 /nfs/dbraw/zinc/44/26/69/774442669.db2.gz VYLIFMWCKYYPMU-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nocc2C)C1 ZINC001104306290 774442673 /nfs/dbraw/zinc/44/26/73/774442673.db2.gz VYLIFMWCKYYPMU-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000376053084 785693046 /nfs/dbraw/zinc/69/30/46/785693046.db2.gz CTKCGCZPMOYPTE-FGTMMUONSA-N 2 1 361.490 1.121 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000376053084 785693048 /nfs/dbraw/zinc/69/30/48/785693048.db2.gz CTKCGCZPMOYPTE-FGTMMUONSA-N 2 1 361.490 1.121 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1C ZINC001104753818 793291905 /nfs/dbraw/zinc/29/19/05/793291905.db2.gz UQTTYEOSBLEIGT-AQNXPRMDSA-N 2 1 363.546 1.973 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000364454166 796037203 /nfs/dbraw/zinc/03/72/03/796037203.db2.gz IXGMZGDHOKGORC-OAQYLSRUSA-N 2 1 368.525 1.437 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659323 800096483 /nfs/dbraw/zinc/09/64/83/800096483.db2.gz JXJBOCIQUHTIML-PWRODBHTSA-N 2 1 369.509 1.703 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659323 800096492 /nfs/dbraw/zinc/09/64/92/800096492.db2.gz JXJBOCIQUHTIML-PWRODBHTSA-N 2 1 369.509 1.703 20 30 FDEDMP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261693039 811298995 /nfs/dbraw/zinc/29/89/95/811298995.db2.gz FIEOUEGAYIPJBK-WMLDXEAASA-N 2 1 353.474 1.415 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001028627335 811637110 /nfs/dbraw/zinc/63/71/10/811637110.db2.gz BMROEKWNTUCMDY-GPMSIDNRSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001028627335 811637123 /nfs/dbraw/zinc/63/71/23/811637123.db2.gz BMROEKWNTUCMDY-GPMSIDNRSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001028627335 811637128 /nfs/dbraw/zinc/63/71/28/811637128.db2.gz BMROEKWNTUCMDY-GPMSIDNRSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001028627335 811637133 /nfs/dbraw/zinc/63/71/33/811637133.db2.gz BMROEKWNTUCMDY-GPMSIDNRSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261936928 816530834 /nfs/dbraw/zinc/53/08/34/816530834.db2.gz MCZJNFUUBUIZCD-INIZCTEOSA-N 2 1 363.550 1.767 20 30 FDEDMP CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000328658100 819524738 /nfs/dbraw/zinc/52/47/38/819524738.db2.gz QKNGCGCKSFCYFZ-ACBHZAAOSA-N 2 1 365.566 1.779 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166487 821772894 /nfs/dbraw/zinc/77/28/94/821772894.db2.gz WGUBUCMBGWGVBP-RBSFLKMASA-N 2 1 361.408 1.099 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C(F)(F)F ZINC001112166487 821772900 /nfs/dbraw/zinc/77/29/00/821772900.db2.gz WGUBUCMBGWGVBP-RBSFLKMASA-N 2 1 361.408 1.099 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)nc3)[C@@H]2CC)CC1 ZINC001087839944 822558393 /nfs/dbraw/zinc/55/83/93/822558393.db2.gz AZSYGIFEFKZTEA-VQTJNVASSA-N 2 1 369.513 1.599 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)nc3)[C@@H]2CC)CC1 ZINC001087839944 822558394 /nfs/dbraw/zinc/55/83/94/822558394.db2.gz AZSYGIFEFKZTEA-VQTJNVASSA-N 2 1 369.513 1.599 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908437 823743566 /nfs/dbraw/zinc/74/35/66/823743566.db2.gz BYQQQRAQRRYHHI-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908437 823743567 /nfs/dbraw/zinc/74/35/67/823743567.db2.gz BYQQQRAQRRYHHI-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908437 823743569 /nfs/dbraw/zinc/74/35/69/823743569.db2.gz BYQQQRAQRRYHHI-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@@H]1C ZINC000329002126 824530563 /nfs/dbraw/zinc/53/05/63/824530563.db2.gz XTUIULWGZKQYRM-IRXDYDNUSA-N 2 1 374.533 1.662 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCC[NH+]1C ZINC000329020565 824534967 /nfs/dbraw/zinc/53/49/67/824534967.db2.gz HSQIULRNWAZKSL-DODZYUBVSA-N 2 1 374.533 1.933 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCC[N@@H+]1C ZINC000329020565 824534969 /nfs/dbraw/zinc/53/49/69/824534969.db2.gz HSQIULRNWAZKSL-DODZYUBVSA-N 2 1 374.533 1.933 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCC[N@H+]1C ZINC000329020565 824534973 /nfs/dbraw/zinc/53/49/73/824534973.db2.gz HSQIULRNWAZKSL-DODZYUBVSA-N 2 1 374.533 1.933 20 30 FDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(NCC(=O)N(C)C)=[NH+][C@H]1CCCC[C@H]1C ZINC000262322140 825155519 /nfs/dbraw/zinc/15/55/19/825155519.db2.gz SCMXIUCLDLPJDN-XYVMCAHJSA-N 2 1 363.550 1.671 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001029767581 828031316 /nfs/dbraw/zinc/03/13/16/828031316.db2.gz UXEAFCZFQMMTFP-LSTHTHJFSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001029767581 828031324 /nfs/dbraw/zinc/03/13/24/828031324.db2.gz UXEAFCZFQMMTFP-LSTHTHJFSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001029767581 828031334 /nfs/dbraw/zinc/03/13/34/828031334.db2.gz UXEAFCZFQMMTFP-LSTHTHJFSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001029767581 828031343 /nfs/dbraw/zinc/03/13/43/828031343.db2.gz UXEAFCZFQMMTFP-LSTHTHJFSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1CN(CC#CCN2CC[N@H+](C3CC3)C[C@H](C)C2)CC[NH+](C2CC2)C1 ZINC000451095534 830249399 /nfs/dbraw/zinc/24/93/99/830249399.db2.gz STZVIXOLBKDWNK-WOJBJXKFSA-N 2 1 358.574 1.822 20 30 FDEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001105474573 838938648 /nfs/dbraw/zinc/93/86/48/838938648.db2.gz LMKZHLZYVDTRKC-BOHSKOPMSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001105474573 838938650 /nfs/dbraw/zinc/93/86/50/838938650.db2.gz LMKZHLZYVDTRKC-BOHSKOPMSA-N 2 1 365.518 1.411 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105642077 842301768 /nfs/dbraw/zinc/30/17/68/842301768.db2.gz HMMOCUBUUJEPLT-JYBIWHBTSA-N 2 1 358.486 1.181 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105643417 842335551 /nfs/dbraw/zinc/33/55/51/842335551.db2.gz XYKHUJZTFGUFNJ-JYBIWHBTSA-N 2 1 358.486 1.181 20 30 FDEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1 ZINC001076204896 847555290 /nfs/dbraw/zinc/55/52/90/847555290.db2.gz CNRAGGUOHPUAGC-VQTJNVASSA-N 2 1 352.482 1.933 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668835883 857528538 /nfs/dbraw/zinc/52/85/38/857528538.db2.gz LPHRSMKWHNTHGW-QGZVFWFLSA-N 2 1 362.518 1.276 20 30 FDEDMP C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000911891442 859095417 /nfs/dbraw/zinc/09/54/17/859095417.db2.gz HAMHBGBASSGUOJ-VQTJNVASSA-N 2 1 357.498 1.996 20 30 FDEDMP Cc1n[nH]cc1CCCNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912499576 859826379 /nfs/dbraw/zinc/82/63/79/859826379.db2.gz SHKOVWHAHDISQF-UHFFFAOYSA-N 2 1 364.538 1.707 20 30 FDEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NC[C@](C)(O)c1ccco1 ZINC000912506607 859831067 /nfs/dbraw/zinc/83/10/67/859831067.db2.gz RIIMOHKOZWJDJF-IBGZPJMESA-N 2 1 366.506 1.543 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC000186878804 881536117 /nfs/dbraw/zinc/53/61/17/881536117.db2.gz OFXBTYUIQJTUNR-INIZCTEOSA-N 2 1 365.522 1.942 20 30 FDEDMP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000171604362 865257999 /nfs/dbraw/zinc/25/79/99/865257999.db2.gz FSBKHVRHBQLGQV-FQEVSTJZSA-N 2 1 369.469 1.556 20 30 FDEDMP C[N@@H+](CC1CC[NH+](C)CC1)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O ZINC000171604362 865258011 /nfs/dbraw/zinc/25/80/11/865258011.db2.gz FSBKHVRHBQLGQV-FQEVSTJZSA-N 2 1 369.469 1.556 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088983393 865911106 /nfs/dbraw/zinc/91/11/06/865911106.db2.gz UZLQMCYOFZVEPZ-KDOFPFPSSA-N 2 1 356.445 1.872 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC001088983393 865911111 /nfs/dbraw/zinc/91/11/11/865911111.db2.gz UZLQMCYOFZVEPZ-KDOFPFPSSA-N 2 1 356.445 1.872 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3nccnc3C)[C@@H]2C)CC1 ZINC001089059451 866384850 /nfs/dbraw/zinc/38/48/50/866384850.db2.gz MUFQZYHURZZWIJ-AEFFLSMTSA-N 2 1 355.486 1.209 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3nccnc3C)[C@@H]2C)CC1 ZINC001089059451 866384856 /nfs/dbraw/zinc/38/48/56/866384856.db2.gz MUFQZYHURZZWIJ-AEFFLSMTSA-N 2 1 355.486 1.209 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC001005572983 884664859 /nfs/dbraw/zinc/66/48/59/884664859.db2.gz CROJZXHSVMFATD-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC001005572983 884664875 /nfs/dbraw/zinc/66/48/75/884664875.db2.gz CROJZXHSVMFATD-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034940050 885389026 /nfs/dbraw/zinc/38/90/26/885389026.db2.gz UWZPSZNHBLNWFI-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CCN(C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000923118120 888079568 /nfs/dbraw/zinc/07/95/68/888079568.db2.gz GYLDQRSPNNIXMR-YESZJQIVSA-N 2 1 350.507 1.223 20 30 FDEDMP C#CCN(C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000923118120 888079578 /nfs/dbraw/zinc/07/95/78/888079578.db2.gz GYLDQRSPNNIXMR-YESZJQIVSA-N 2 1 350.507 1.223 20 30 FDEDMP Cn1ccnc1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923342543 888961323 /nfs/dbraw/zinc/96/13/23/888961323.db2.gz PGLVXANDIIXIRA-MOPGFXCFSA-N 2 1 365.481 1.969 20 30 FDEDMP Cn1ccnc1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000923342543 888961326 /nfs/dbraw/zinc/96/13/26/888961326.db2.gz PGLVXANDIIXIRA-MOPGFXCFSA-N 2 1 365.481 1.969 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000671082062 896161988 /nfs/dbraw/zinc/16/19/88/896161988.db2.gz QPFZBSZDSZVMQO-IRXDYDNUSA-N 2 1 350.507 1.012 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212428305 896909856 /nfs/dbraw/zinc/90/98/56/896909856.db2.gz WKTMVJDVTJKGFC-VAMGGRTRSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@H]1CCC[NH+]1C ZINC001212428305 896909860 /nfs/dbraw/zinc/90/98/60/896909860.db2.gz WKTMVJDVTJKGFC-VAMGGRTRSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001212428305 896909862 /nfs/dbraw/zinc/90/98/62/896909862.db2.gz WKTMVJDVTJKGFC-VAMGGRTRSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001212428305 896909868 /nfs/dbraw/zinc/90/98/68/896909868.db2.gz WKTMVJDVTJKGFC-VAMGGRTRSA-N 2 1 370.497 1.748 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001084349278 914135751 /nfs/dbraw/zinc/13/57/51/914135751.db2.gz FVVFIPPUFUMQGR-QHAWAJNXSA-N 2 1 364.493 1.933 20 30 FDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079129832 901937839 /nfs/dbraw/zinc/93/78/39/901937839.db2.gz JMGQFAYIDATMEB-XUVXKRRUSA-N 2 1 357.498 1.731 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129832 901937841 /nfs/dbraw/zinc/93/78/41/901937841.db2.gz JMGQFAYIDATMEB-XUVXKRRUSA-N 2 1 357.498 1.731 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129832 901937845 /nfs/dbraw/zinc/93/78/45/901937845.db2.gz JMGQFAYIDATMEB-XUVXKRRUSA-N 2 1 357.498 1.731 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726420 903146472 /nfs/dbraw/zinc/14/64/72/903146472.db2.gz UISFJDMOUFHSBX-OHDICMOHSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079726420 903146474 /nfs/dbraw/zinc/14/64/74/903146474.db2.gz UISFJDMOUFHSBX-OHDICMOHSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079726420 903146476 /nfs/dbraw/zinc/14/64/76/903146476.db2.gz UISFJDMOUFHSBX-OHDICMOHSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079726420 903146478 /nfs/dbraw/zinc/14/64/78/903146478.db2.gz UISFJDMOUFHSBX-OHDICMOHSA-N 2 1 370.497 1.844 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCCOC)CC2 ZINC001107441092 904926397 /nfs/dbraw/zinc/92/63/97/904926397.db2.gz LBYLNBRDBBRZIB-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCCOC)CC2 ZINC001107441092 904926404 /nfs/dbraw/zinc/92/64/04/904926404.db2.gz LBYLNBRDBBRZIB-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCCOC)CC2 ZINC001107441092 904926409 /nfs/dbraw/zinc/92/64/09/904926409.db2.gz LBYLNBRDBBRZIB-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCCOC)CC2 ZINC001107441092 904926411 /nfs/dbraw/zinc/92/64/11/904926411.db2.gz LBYLNBRDBBRZIB-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552199 905551440 /nfs/dbraw/zinc/55/14/40/905551440.db2.gz JRPSTVHPHOZUPQ-WIYYLYMNSA-N 2 1 363.546 1.975 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552199 905551452 /nfs/dbraw/zinc/55/14/52/905551452.db2.gz JRPSTVHPHOZUPQ-WIYYLYMNSA-N 2 1 363.546 1.975 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001107552199 905551467 /nfs/dbraw/zinc/55/14/67/905551467.db2.gz JRPSTVHPHOZUPQ-WIYYLYMNSA-N 2 1 363.546 1.975 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082590376 908847814 /nfs/dbraw/zinc/84/78/14/908847814.db2.gz SWQFMCVPMGTCAN-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082590376 908847832 /nfs/dbraw/zinc/84/78/32/908847832.db2.gz SWQFMCVPMGTCAN-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001082646290 909312566 /nfs/dbraw/zinc/31/25/66/909312566.db2.gz KBAIJMUHOSRGOW-FZKQIMNGSA-N 2 1 355.417 1.839 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCN(c2ncccn2)CC1 ZINC000073446230 909728344 /nfs/dbraw/zinc/72/83/44/909728344.db2.gz GVKGYWKRMGQPPM-GOSISDBHSA-N 2 1 373.549 1.685 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)O1 ZINC000997857175 909833894 /nfs/dbraw/zinc/83/38/94/909833894.db2.gz XSVBQVZGWIMNGC-OXQOHEQNSA-N 2 1 370.497 1.606 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(C#N)cc3)CC2)O1 ZINC000997857175 909833899 /nfs/dbraw/zinc/83/38/99/909833899.db2.gz XSVBQVZGWIMNGC-OXQOHEQNSA-N 2 1 370.497 1.606 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@@H]4CCCOC4)C[C@H]32)CC1 ZINC001084851075 917658403 /nfs/dbraw/zinc/65/84/03/917658403.db2.gz MAVBCTDRDYBJDA-DFQSSKMNSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC[C@@H]4CCCO4)C[C@H]32)CC1 ZINC001084851204 917661082 /nfs/dbraw/zinc/66/10/82/917661082.db2.gz RQRMUXGLGAVRSM-HSALFYBXSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cccn4)[C@H]3C2)CC1 ZINC001085100490 920913938 /nfs/dbraw/zinc/91/39/38/920913938.db2.gz GWLVDGYVYUJLFZ-QUCCMNQESA-N 2 1 369.513 1.151 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000743766062 926463756 /nfs/dbraw/zinc/46/37/56/926463756.db2.gz JCULWFVIZCUIFA-NRFANRHFSA-N 2 1 355.482 1.085 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001086371235 926885476 /nfs/dbraw/zinc/88/54/76/926885476.db2.gz XHZSYDSHFPTJII-DLVXIWMQSA-N 2 1 370.497 1.914 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001109719944 930242512 /nfs/dbraw/zinc/24/25/12/930242512.db2.gz SGQOJDPFXXDXCE-HKBOAZHASA-N 2 1 369.509 1.776 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001109719944 930242523 /nfs/dbraw/zinc/24/25/23/930242523.db2.gz SGQOJDPFXXDXCE-HKBOAZHASA-N 2 1 369.509 1.776 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735723 930276957 /nfs/dbraw/zinc/27/69/57/930276957.db2.gz UKTYQMCDBKDLEN-RDGPPVDQSA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129923793 938569749 /nfs/dbraw/zinc/56/97/49/938569749.db2.gz WTUQOLMGIPHFKU-SQNIBIBYSA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610605 939908034 /nfs/dbraw/zinc/90/80/34/939908034.db2.gz NLHMLISUAPFFDH-JENIJYKNSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131006139 940432696 /nfs/dbraw/zinc/43/26/96/940432696.db2.gz NAXKUQSPDULKQQ-IPMKNSEASA-N 2 1 371.529 1.305 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cncn1C ZINC001131007610 940433746 /nfs/dbraw/zinc/43/37/46/940433746.db2.gz CEQCGCNWXCIYOB-BRWVUGGUSA-N 2 1 366.469 1.102 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(C)C)C1 ZINC001131010486 940441629 /nfs/dbraw/zinc/44/16/29/940441629.db2.gz NKVBAQQJSCFRAZ-QRVBRYPASA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC(C)C)C1 ZINC001131010486 940441630 /nfs/dbraw/zinc/44/16/30/940441630.db2.gz NKVBAQQJSCFRAZ-QRVBRYPASA-N 2 1 371.529 1.448 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131089735 940494992 /nfs/dbraw/zinc/49/49/92/940494992.db2.gz XAEKTYWBKOOXSC-IAGOWNOFSA-N 2 1 356.474 1.475 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1c1cncn1C ZINC001131115498 940503573 /nfs/dbraw/zinc/50/35/73/940503573.db2.gz PQEHLLYHOIHZGQ-OPYAIIAOSA-N 2 1 371.529 1.756 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313032 940552644 /nfs/dbraw/zinc/55/26/44/940552644.db2.gz FNMFZYYJQQKOML-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C[C@@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000809732345 940887497 /nfs/dbraw/zinc/88/74/97/940887497.db2.gz BZZOLROYBZWECP-KRWDZBQOSA-N 2 1 370.497 1.963 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=C)Br)C1 ZINC001086720547 941624630 /nfs/dbraw/zinc/62/46/30/941624630.db2.gz BQBWOQCYHZVIOH-XHSDSOJGSA-N 2 1 368.319 1.867 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=C)Br)C1 ZINC001086720547 941624637 /nfs/dbraw/zinc/62/46/37/941624637.db2.gz BQBWOQCYHZVIOH-XHSDSOJGSA-N 2 1 368.319 1.867 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819335302 943530879 /nfs/dbraw/zinc/53/08/79/943530879.db2.gz VQAIBQIZAIIRRV-QGZVFWFLSA-N 2 1 353.507 1.539 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000819335302 943530884 /nfs/dbraw/zinc/53/08/84/943530884.db2.gz VQAIBQIZAIIRRV-QGZVFWFLSA-N 2 1 353.507 1.539 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185508 971498046 /nfs/dbraw/zinc/49/80/46/971498046.db2.gz WZRJBRQZCDIIKH-ZTFGCOKTSA-N 2 1 362.474 1.400 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185508 971498052 /nfs/dbraw/zinc/49/80/52/971498052.db2.gz WZRJBRQZCDIIKH-ZTFGCOKTSA-N 2 1 362.474 1.400 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718087 971585743 /nfs/dbraw/zinc/58/57/43/971585743.db2.gz YNDSPJFDIMLOQW-KURKYZTESA-N 2 1 365.518 1.269 20 30 FDEDMP C#Cc1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC001144572423 949953959 /nfs/dbraw/zinc/95/39/59/949953959.db2.gz YQOQTDGEFBZOLJ-WOJBJXKFSA-N 2 1 355.482 1.279 20 30 FDEDMP C#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC001144572423 949953969 /nfs/dbraw/zinc/95/39/69/949953969.db2.gz YQOQTDGEFBZOLJ-WOJBJXKFSA-N 2 1 355.482 1.279 20 30 FDEDMP C#Cc1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)cc1 ZINC001144572423 949953975 /nfs/dbraw/zinc/95/39/75/949953975.db2.gz YQOQTDGEFBZOLJ-WOJBJXKFSA-N 2 1 355.482 1.279 20 30 FDEDMP C#CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091401031 951574721 /nfs/dbraw/zinc/57/47/21/951574721.db2.gz QVWHOYQVYSKRIH-AYOQOUSVSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401031 951574731 /nfs/dbraw/zinc/57/47/31/951574731.db2.gz QVWHOYQVYSKRIH-AYOQOUSVSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401031 951574736 /nfs/dbraw/zinc/57/47/36/951574736.db2.gz QVWHOYQVYSKRIH-AYOQOUSVSA-N 2 1 356.470 1.124 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772981435 952422431 /nfs/dbraw/zinc/42/24/31/952422431.db2.gz DFORHVLKEBSVAV-CSIMIJJJSA-N 2 1 364.490 1.239 20 30 FDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001091679671 952606472 /nfs/dbraw/zinc/60/64/72/952606472.db2.gz JDFTYGBHAWGHLA-BNDYYXHWSA-N 2 1 359.514 1.147 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086982454 952995335 /nfs/dbraw/zinc/99/53/35/952995335.db2.gz KLVQRAAKOCPLRK-GVDBMIGSSA-N 2 1 365.909 1.397 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001092274030 954661275 /nfs/dbraw/zinc/66/12/75/954661275.db2.gz ZDFYEOGNLPJRRW-SBHAEUEKSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001092274030 954661283 /nfs/dbraw/zinc/66/12/83/954661283.db2.gz ZDFYEOGNLPJRRW-SBHAEUEKSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@@]3(C)C2)C1 ZINC001092274030 954661287 /nfs/dbraw/zinc/66/12/87/954661287.db2.gz ZDFYEOGNLPJRRW-SBHAEUEKSA-N 2 1 352.482 1.790 20 30 FDEDMP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12 ZINC001092373664 955047552 /nfs/dbraw/zinc/04/75/52/955047552.db2.gz WUEWXYKRDMAYHX-GVDBMIGSSA-N 2 1 357.502 1.761 20 30 FDEDMP C=C(C)C[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1nccn12 ZINC001092373664 955047562 /nfs/dbraw/zinc/04/75/62/955047562.db2.gz WUEWXYKRDMAYHX-GVDBMIGSSA-N 2 1 357.502 1.761 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001093215388 957835441 /nfs/dbraw/zinc/83/54/41/957835441.db2.gz XJWJRNPDROMRON-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001093215388 957835454 /nfs/dbraw/zinc/83/54/54/957835454.db2.gz XJWJRNPDROMRON-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001093215388 957835465 /nfs/dbraw/zinc/83/54/65/957835465.db2.gz XJWJRNPDROMRON-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001093215388 957835475 /nfs/dbraw/zinc/83/54/75/957835475.db2.gz XJWJRNPDROMRON-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnns3)C[C@H]2C)CC1 ZINC001093224462 957856711 /nfs/dbraw/zinc/85/67/11/957856711.db2.gz XJIFUAUHMPJAJI-GDBMZVCRSA-N 2 1 361.515 1.067 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnns3)C[C@H]2C)CC1 ZINC001093224462 957856725 /nfs/dbraw/zinc/85/67/25/957856725.db2.gz XJIFUAUHMPJAJI-GDBMZVCRSA-N 2 1 361.515 1.067 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](OCC)C2CC2)CC1 ZINC001110147225 958335514 /nfs/dbraw/zinc/33/55/14/958335514.db2.gz QGFHIAWGGOQCDK-ANULTFPQSA-N 2 1 373.541 1.868 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000636676492 1013184189 /nfs/dbraw/zinc/18/41/89/1013184189.db2.gz ITCSRLZGKXMXOM-GOSISDBHSA-N 2 1 362.518 1.276 20 30 FDEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001094114101 959803915 /nfs/dbraw/zinc/80/39/15/959803915.db2.gz RLLQOGPAACHQTR-YLJYHZDGSA-N 2 1 370.497 1.465 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000775791435 972491864 /nfs/dbraw/zinc/49/18/64/972491864.db2.gz MJWQKNDVCBLODY-WOJBJXKFSA-N 2 1 355.482 1.669 20 30 FDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC12CCOCC2 ZINC001186402273 964473810 /nfs/dbraw/zinc/47/38/10/964473810.db2.gz KCBPYOWDMIORRW-BRWVUGGUSA-N 2 1 358.486 1.934 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CCC)[C@@H]2C1 ZINC001189899039 967416439 /nfs/dbraw/zinc/41/64/39/967416439.db2.gz VWXKHURTOTXDKX-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189899039 967416441 /nfs/dbraw/zinc/41/64/41/967416441.db2.gz VWXKHURTOTXDKX-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189899039 967416450 /nfs/dbraw/zinc/41/64/50/967416450.db2.gz VWXKHURTOTXDKX-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189899039 967416456 /nfs/dbraw/zinc/41/64/56/967416456.db2.gz VWXKHURTOTXDKX-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCC(F)F)C[C@H]32)CC1 ZINC001190317686 967731125 /nfs/dbraw/zinc/73/11/25/967731125.db2.gz LLBHZSVXZRXBQL-DLBZAZTESA-N 2 1 369.456 1.146 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000775805303 972608668 /nfs/dbraw/zinc/60/86/68/972608668.db2.gz FULGHRHJWYMRJV-LEWJYISDSA-N 2 1 369.509 1.846 20 30 FDEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000863550895 973007158 /nfs/dbraw/zinc/00/71/58/973007158.db2.gz CESOKMFEHPVAOT-RBUKOAKNSA-N 2 1 359.470 1.531 20 30 FDEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)[C@@H]1CCCO1 ZINC000776228372 975191875 /nfs/dbraw/zinc/19/18/75/975191875.db2.gz QGBUASFTWFNCPQ-BZSNNMDCSA-N 2 1 350.507 1.225 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849064024 977300025 /nfs/dbraw/zinc/30/00/25/977300025.db2.gz YPHQLKGBIURVKC-HXUWFJFHSA-N 2 1 373.545 1.396 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OCC)cc1 ZINC000851662064 978988688 /nfs/dbraw/zinc/98/86/88/978988688.db2.gz SODMHZLNZODFRG-PMACEKPBSA-N 2 1 372.513 1.785 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[N@H+]1Cc1ccccc1 ZINC000884228757 983003319 /nfs/dbraw/zinc/00/33/19/983003319.db2.gz YLMDXVUYQDVRTQ-LIEGOMBTSA-N 2 1 352.482 1.905 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl)C2 ZINC000884278251 983049066 /nfs/dbraw/zinc/04/90/66/983049066.db2.gz HFCZYWOHPOTDMF-XQCDLMLLSA-N 2 1 358.873 1.952 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884448923 983161323 /nfs/dbraw/zinc/16/13/23/983161323.db2.gz PXYALNBZFKEIQS-VWMQHHCSSA-N 2 1 352.482 1.764 20 30 FDEDMP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3ccc(C#N)nc3)CC2)cc1 ZINC000872146097 987460752 /nfs/dbraw/zinc/46/07/52/987460752.db2.gz FPALCJDJBPMNAL-QGZVFWFLSA-N 2 1 351.454 1.826 20 30 FDEDMP N#Cc1cccnc1NCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872200123 987511220 /nfs/dbraw/zinc/51/12/20/987511220.db2.gz VBZXSWSOCUBSKN-HXUWFJFHSA-N 2 1 351.454 1.592 20 30 FDEDMP N#Cc1cccnc1NCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872200123 987511223 /nfs/dbraw/zinc/51/12/23/987511223.db2.gz VBZXSWSOCUBSKN-HXUWFJFHSA-N 2 1 351.454 1.592 20 30 FDEDMP N#Cc1ccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000299372500 988389782 /nfs/dbraw/zinc/38/97/82/988389782.db2.gz GUPAESGJKYYBHA-UHFFFAOYSA-N 2 1 356.470 1.219 20 30 FDEDMP CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000362308610 988630004 /nfs/dbraw/zinc/63/00/04/988630004.db2.gz GDGDJPHVKMWSMM-FYQPLNBISA-N 2 1 373.545 1.095 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363393603 989157104 /nfs/dbraw/zinc/15/71/04/989157104.db2.gz SXXRIWZPMHMTKX-ZHALLVOQSA-N 2 1 364.534 1.920 20 30 FDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)C1 ZINC000363416047 989179406 /nfs/dbraw/zinc/17/94/06/989179406.db2.gz AVCAKMRAGRNSCX-OALUTQOASA-N 2 1 358.486 1.010 20 30 FDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)C1 ZINC000363416047 989179412 /nfs/dbraw/zinc/17/94/12/989179412.db2.gz AVCAKMRAGRNSCX-OALUTQOASA-N 2 1 358.486 1.010 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000363667896 989382730 /nfs/dbraw/zinc/38/27/30/989382730.db2.gz AASIOEPKLSELPQ-YLJYHZDGSA-N 2 1 372.513 1.398 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000297160554 989486244 /nfs/dbraw/zinc/48/62/44/989486244.db2.gz DPUWFCICEMZJOZ-HXUWFJFHSA-N 2 1 372.513 1.398 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000297160554 989486253 /nfs/dbraw/zinc/48/62/53/989486253.db2.gz DPUWFCICEMZJOZ-HXUWFJFHSA-N 2 1 372.513 1.398 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000297160554 989486259 /nfs/dbraw/zinc/48/62/59/989486259.db2.gz DPUWFCICEMZJOZ-HXUWFJFHSA-N 2 1 372.513 1.398 20 30 FDEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000372371135 991051497 /nfs/dbraw/zinc/05/14/97/991051497.db2.gz UQBUHVFCFDUIDM-IBGZPJMESA-N 2 1 369.513 1.846 20 30 FDEDMP N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000923651567 992777068 /nfs/dbraw/zinc/77/70/68/992777068.db2.gz HOELQHHIMXQZGJ-GOSISDBHSA-N 2 1 362.499 1.194 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000876735676 992851772 /nfs/dbraw/zinc/85/17/72/992851772.db2.gz BEHJTJURNBPJTF-WMLDXEAASA-N 2 1 351.878 1.993 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000876735676 992851782 /nfs/dbraw/zinc/85/17/82/992851782.db2.gz BEHJTJURNBPJTF-WMLDXEAASA-N 2 1 351.878 1.993 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000876784835 992912814 /nfs/dbraw/zinc/91/28/14/992912814.db2.gz LIVYDLYYZPJIEF-KRWDZBQOSA-N 2 1 350.894 1.737 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876800400 992919595 /nfs/dbraw/zinc/91/95/95/992919595.db2.gz LOUOPBTYMMYMNQ-SFHVURJKSA-N 2 1 350.426 1.505 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000876922385 992968482 /nfs/dbraw/zinc/96/84/82/992968482.db2.gz XNVMGTZVSSDITI-MRXNPFEDSA-N 2 1 350.894 1.566 20 30 FDEDMP C#CCNC(=O)C1CC[NH+](C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878018952 993615008 /nfs/dbraw/zinc/61/50/08/993615008.db2.gz OJOJLZWWMTWDQZ-NRFANRHFSA-N 2 1 355.482 1.085 20 30 FDEDMP C#CCNC(=O)C1CC[NH+](C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000878018952 993615013 /nfs/dbraw/zinc/61/50/13/993615013.db2.gz OJOJLZWWMTWDQZ-NRFANRHFSA-N 2 1 355.482 1.085 20 30 FDEDMP CC1(C)C[NH+](Cc2cc(C#N)cc(C[N@H+]3C[C@@H](O)C(C)(C)C3)c2)C[C@H]1O ZINC000878531333 994002282 /nfs/dbraw/zinc/00/22/82/994002282.db2.gz CRFZHMXZXXHEEZ-RTBURBONSA-N 2 1 357.498 1.964 20 30 FDEDMP COCC[N@@H+](CC(=O)Nc1sccc1C#N)CC1CC[NH+](C)CC1 ZINC000879126141 994560914 /nfs/dbraw/zinc/56/09/14/994560914.db2.gz UJMRNFNUGOSKQN-UHFFFAOYSA-N 2 1 350.488 1.848 20 30 FDEDMP COCC[N@H+](CC(=O)Nc1sccc1C#N)CC1CC[NH+](C)CC1 ZINC000879126141 994560928 /nfs/dbraw/zinc/56/09/28/994560928.db2.gz UJMRNFNUGOSKQN-UHFFFAOYSA-N 2 1 350.488 1.848 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000264068722 997395563 /nfs/dbraw/zinc/39/55/63/997395563.db2.gz CJZJUNLGJPNGPO-ROUUACIJSA-N 2 1 373.501 1.693 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCCCC2=O)cc1 ZINC000264077993 997397276 /nfs/dbraw/zinc/39/72/76/997397276.db2.gz GICFKHRWCYHGJY-UHFFFAOYSA-N 2 1 373.501 1.330 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143484 997413110 /nfs/dbraw/zinc/41/31/10/997413110.db2.gz XDKLQNWJRKKMNB-DLBZAZTESA-N 2 1 363.506 1.350 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000104170643 998313702 /nfs/dbraw/zinc/31/37/02/998313702.db2.gz KQFJZUDJTPJNIJ-UYAOXDASSA-N 2 1 372.561 1.586 20 30 FDEDMP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000266983154 999282964 /nfs/dbraw/zinc/28/29/64/999282964.db2.gz NYVXTHUHTNKFIT-CQSZACIVSA-N 2 1 371.451 1.993 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000271686791 999725197 /nfs/dbraw/zinc/72/51/97/999725197.db2.gz QMDWDCOHQARBSW-QFBILLFUSA-N 2 1 358.486 1.682 20 30 FDEDMP C[NH+]1CCC2(CC[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000639757779 1007550467 /nfs/dbraw/zinc/55/04/67/1007550467.db2.gz NQQHZANNPAJNCP-UHFFFAOYSA-N 2 1 351.450 1.704 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[N@@H+](C)CCC)C3)C1=O ZINC001111307834 1008885643 /nfs/dbraw/zinc/88/56/43/1008885643.db2.gz ZYUCOAZCPWETSQ-BDXSIMOUSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[N@H+](C)CCC)C3)C1=O ZINC001111307834 1008885649 /nfs/dbraw/zinc/88/56/49/1008885649.db2.gz ZYUCOAZCPWETSQ-BDXSIMOUSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)CCC)C3)C1=O ZINC001111307834 1008885671 /nfs/dbraw/zinc/88/56/71/1008885671.db2.gz ZYUCOAZCPWETSQ-BDXSIMOUSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)CCC)C3)C1=O ZINC001111307834 1008885694 /nfs/dbraw/zinc/88/56/94/1008885694.db2.gz ZYUCOAZCPWETSQ-BDXSIMOUSA-N 2 1 362.518 1.227 20 30 FDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])Nc2cc(OC)ccc2OC)CC1 ZINC000303901149 1009684137 /nfs/dbraw/zinc/68/41/37/1009684137.db2.gz XEWAYYSVBWAQJP-HNNXBMFYSA-N 2 1 363.506 1.704 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2cccc(C#N)c2)O1 ZINC000960722173 1011254676 /nfs/dbraw/zinc/25/46/76/1011254676.db2.gz YUKGRIIHFIEUDD-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2cccc(C#N)c2)O1 ZINC000960722173 1011254700 /nfs/dbraw/zinc/25/47/00/1011254700.db2.gz YUKGRIIHFIEUDD-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cccc(C#N)c2)O1 ZINC000960722173 1011254712 /nfs/dbraw/zinc/25/47/12/1011254712.db2.gz YUKGRIIHFIEUDD-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cccc(C#N)c2)O1 ZINC000960722173 1011254728 /nfs/dbraw/zinc/25/47/28/1011254728.db2.gz YUKGRIIHFIEUDD-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000270024605 674155629 /nfs/dbraw/zinc/15/56/29/674155629.db2.gz BVHQDIJLXKAHAR-JBEBIEQOSA-N 2 1 352.504 1.112 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000553329868 543610711 /nfs/dbraw/zinc/61/07/11/543610711.db2.gz RVVMYVFHYFZLKF-VQIMIIECSA-N 2 1 374.529 1.228 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000553395534 543625655 /nfs/dbraw/zinc/62/56/55/543625655.db2.gz KROHLZARAUWREM-SJLPKXTDSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000553711709 543685605 /nfs/dbraw/zinc/68/56/05/543685605.db2.gz KRKYYOVQXCATNM-UHFFFAOYSA-N 2 1 364.534 1.476 20 30 FDEDMP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000164707752 525526641 /nfs/dbraw/zinc/52/66/41/525526641.db2.gz YMYOZTZTUNCRGB-SFHVURJKSA-N 2 1 360.527 1.886 20 30 FDEDMP C=C(C)COc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000171764395 526111454 /nfs/dbraw/zinc/11/14/54/526111454.db2.gz NSLQPDIKLHMZMY-UHFFFAOYSA-N 2 1 361.486 1.904 20 30 FDEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000247741383 537147615 /nfs/dbraw/zinc/14/76/15/537147615.db2.gz NTBBSZLRRLLQAN-JXFKEZNVSA-N 2 1 370.497 1.688 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997971 537599377 /nfs/dbraw/zinc/59/93/77/537599377.db2.gz AQEGLZWOELPQGL-OALUTQOASA-N 2 1 371.529 1.466 20 30 FDEDMP CN(CCC[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CC[NH+](C)C ZINC000561788332 545953006 /nfs/dbraw/zinc/95/30/06/545953006.db2.gz XIFCNLCHODJZJO-FQEVSTJZSA-N 2 1 371.529 1.869 20 30 FDEDMP C[C@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930616 551033620 /nfs/dbraw/zinc/03/36/20/551033620.db2.gz QSKDFFNUTXVANL-QFBILLFUSA-N 2 1 359.470 1.483 20 30 FDEDMP C[C@H]1COCC[N@H+]1C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930616 551033622 /nfs/dbraw/zinc/03/36/22/551033622.db2.gz QSKDFFNUTXVANL-QFBILLFUSA-N 2 1 359.470 1.483 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000592481744 551999965 /nfs/dbraw/zinc/99/99/65/551999965.db2.gz PZSIETBGSNFFBX-SFHVURJKSA-N 2 1 352.523 1.683 20 30 FDEDMP C[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000594438802 552310371 /nfs/dbraw/zinc/31/03/71/552310371.db2.gz LSNXYPKFGIESFT-MJGOQNOKSA-N 2 1 357.502 1.725 20 30 FDEDMP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000594438801 552310503 /nfs/dbraw/zinc/31/05/03/552310503.db2.gz LSNXYPKFGIESFT-IEBWSBKVSA-N 2 1 357.502 1.725 20 30 FDEDMP CC(C)[C@H](C#N)N1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602794110 553640357 /nfs/dbraw/zinc/64/03/57/553640357.db2.gz FNWIVHNFYCYSDK-LEWJYISDSA-N 2 1 356.514 1.789 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N(C)Cc1cc(Br)cn1C ZINC000261790657 672672973 /nfs/dbraw/zinc/67/29/73/672672973.db2.gz QJECDIFASDQTLV-LBPRGKRZSA-N 2 1 356.312 1.747 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262805032 672850767 /nfs/dbraw/zinc/85/07/67/672850767.db2.gz RUSSAOLCZAYTNG-SJLPKXTDSA-N 3 1 353.580 1.559 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1csc(Br)c1 ZINC000264078903 672900349 /nfs/dbraw/zinc/90/03/49/672900349.db2.gz GTZSCFIFXQREMB-UHFFFAOYSA-N 2 1 361.309 1.637 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)c(OC)c1 ZINC000264140213 672902959 /nfs/dbraw/zinc/90/29/59/672902959.db2.gz WIZUATKKEAVEKK-CQSZACIVSA-N 2 1 350.463 1.601 20 30 FDEDMP CCO[C@H]1C[C@@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C12CCCCC2 ZINC000304781488 676544558 /nfs/dbraw/zinc/54/45/58/676544558.db2.gz GIQDNOFJRXULFT-SJORKVTESA-N 2 1 352.523 1.741 20 30 FDEDMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000329554646 676643706 /nfs/dbraw/zinc/64/37/06/676643706.db2.gz KKUWDDSMGCFURT-CGTJXYLNSA-N 2 1 352.523 1.552 20 30 FDEDMP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000329701370 676650317 /nfs/dbraw/zinc/65/03/17/676650317.db2.gz HHZNKZWJZQUKML-LZLYRXPVSA-N 2 1 351.539 1.389 20 30 FDEDMP C[C@H](NC(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329701370 676650319 /nfs/dbraw/zinc/65/03/19/676650319.db2.gz HHZNKZWJZQUKML-LZLYRXPVSA-N 2 1 351.539 1.389 20 30 FDEDMP C[C@H](NC(=O)NC[C@@H]1C[NH+](C)CCN1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329701370 676650321 /nfs/dbraw/zinc/65/03/21/676650321.db2.gz HHZNKZWJZQUKML-LZLYRXPVSA-N 2 1 351.539 1.389 20 30 FDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330170409 676676472 /nfs/dbraw/zinc/67/64/72/676676472.db2.gz DQXQILWODHSMQM-KZNAEPCWSA-N 2 1 352.523 1.742 20 30 FDEDMP C(#CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372697450 677961798 /nfs/dbraw/zinc/96/17/98/677961798.db2.gz XVQPTRCLQNBIQP-WNRNVDISSA-N 2 1 368.568 1.402 20 30 FDEDMP C(#CC[N@H+]1CCS[C@@H]2COCC[C@@H]21)C[NH+]1CCS[C@@H]2COCC[C@@H]21 ZINC000372697450 677961802 /nfs/dbraw/zinc/96/18/02/677961802.db2.gz XVQPTRCLQNBIQP-WNRNVDISSA-N 2 1 368.568 1.402 20 30 FDEDMP N#Cc1c2c(cnc1N1C[C@@H]3C[N@H+](CC4CC4)C[C@H](C1)O3)C[NH2+]CCC2 ZINC001164966118 722067311 /nfs/dbraw/zinc/06/73/11/722067311.db2.gz WFHGMQYPUIVNQO-CALCHBBNSA-N 2 1 353.470 1.288 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccnn2C)C1 ZINC001104306049 774438910 /nfs/dbraw/zinc/43/89/10/774438910.db2.gz IIEWHIFHEOUBSB-GGPKGHCWSA-N 2 1 371.529 1.134 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2ccnn2C)C1 ZINC001104306049 774438911 /nfs/dbraw/zinc/43/89/11/774438911.db2.gz IIEWHIFHEOUBSB-GGPKGHCWSA-N 2 1 371.529 1.134 20 30 FDEDMP CC1(C)COCCN1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000328946445 779442259 /nfs/dbraw/zinc/44/22/59/779442259.db2.gz VKKFEBPHYQAAPY-GOSISDBHSA-N 2 1 360.502 1.875 20 30 FDEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001075454066 783475927 /nfs/dbraw/zinc/47/59/27/783475927.db2.gz KLEOQPVPPGWJTH-WSTZPKSXSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[NH+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC001075454066 783475935 /nfs/dbraw/zinc/47/59/35/783475935.db2.gz KLEOQPVPPGWJTH-WSTZPKSXSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC1 ZINC001075454066 783475942 /nfs/dbraw/zinc/47/59/42/783475942.db2.gz KLEOQPVPPGWJTH-WSTZPKSXSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC1 ZINC001075454066 783475947 /nfs/dbraw/zinc/47/59/47/783475947.db2.gz KLEOQPVPPGWJTH-WSTZPKSXSA-N 2 1 361.530 1.679 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000376053085 785692639 /nfs/dbraw/zinc/69/26/39/785692639.db2.gz CTKCGCZPMOYPTE-KURKYZTESA-N 2 1 361.490 1.121 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000376053085 785692643 /nfs/dbraw/zinc/69/26/43/785692643.db2.gz CTKCGCZPMOYPTE-KURKYZTESA-N 2 1 361.490 1.121 20 30 FDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001104846085 794037452 /nfs/dbraw/zinc/03/74/52/794037452.db2.gz ICSKERHGMGFSMM-IAGOWNOFSA-N 2 1 351.454 1.978 20 30 FDEDMP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)C1=O ZINC001104874487 794160117 /nfs/dbraw/zinc/16/01/17/794160117.db2.gz VZXTYVBSDDZICS-KZNAEPCWSA-N 2 1 364.534 1.189 20 30 FDEDMP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)C1=O ZINC001105067291 795130715 /nfs/dbraw/zinc/13/07/15/795130715.db2.gz VOBNBECTZQAEGG-KURKYZTESA-N 2 1 364.534 1.188 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000364239998 795515594 /nfs/dbraw/zinc/51/55/94/795515594.db2.gz ABTWKCNWFPRWER-QFBILLFUSA-N 2 1 374.533 1.753 20 30 FDEDMP CC#CC[N@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974595868 799902950 /nfs/dbraw/zinc/90/29/50/799902950.db2.gz MWRNFDJZDDHQSB-QYZOEREBSA-N 2 1 361.530 1.583 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001027466008 804354498 /nfs/dbraw/zinc/35/44/98/804354498.db2.gz ZOGGNOWKYPRSJI-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001027466008 804354507 /nfs/dbraw/zinc/35/45/07/804354507.db2.gz ZOGGNOWKYPRSJI-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001027466008 804354518 /nfs/dbraw/zinc/35/45/18/804354518.db2.gz ZOGGNOWKYPRSJI-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001027466008 804354531 /nfs/dbraw/zinc/35/45/31/804354531.db2.gz ZOGGNOWKYPRSJI-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cc1C#N ZINC000981194261 807698456 /nfs/dbraw/zinc/69/84/56/807698456.db2.gz OQBDEOAOBLUUNS-VQIMIIECSA-N 2 1 370.497 1.941 20 30 FDEDMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cc1C#N ZINC000981194261 807698466 /nfs/dbraw/zinc/69/84/66/807698466.db2.gz OQBDEOAOBLUUNS-VQIMIIECSA-N 2 1 370.497 1.941 20 30 FDEDMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1C#N ZINC000981194261 807698476 /nfs/dbraw/zinc/69/84/76/807698476.db2.gz OQBDEOAOBLUUNS-VQIMIIECSA-N 2 1 370.497 1.941 20 30 FDEDMP COc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1C#N ZINC000981194261 807698481 /nfs/dbraw/zinc/69/84/81/807698481.db2.gz OQBDEOAOBLUUNS-VQIMIIECSA-N 2 1 370.497 1.941 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261613180 811285423 /nfs/dbraw/zinc/28/54/23/811285423.db2.gz AKWWEHBZXCREMA-HSALFYBXSA-N 2 1 356.514 1.847 20 30 FDEDMP C[NH+]=C(NCCn1cnc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261706079 811301516 /nfs/dbraw/zinc/30/15/16/811301516.db2.gz JNUWIQJROOIPNM-QGZVFWFLSA-N 2 1 370.501 1.266 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](CC)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262603081 811506785 /nfs/dbraw/zinc/50/67/85/811506785.db2.gz ZCLMOWXJQNRGPZ-MRXNPFEDSA-N 2 1 361.490 1.345 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C(F)(F)F ZINC001112151913 819223685 /nfs/dbraw/zinc/22/36/85/819223685.db2.gz AUBAAPCWDJZIFT-KFWWJZLASA-N 2 1 361.408 1.098 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C(F)(F)F ZINC001112151913 819223691 /nfs/dbraw/zinc/22/36/91/819223691.db2.gz AUBAAPCWDJZIFT-KFWWJZLASA-N 2 1 361.408 1.098 20 30 FDEDMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C)N3CC[NH+](C)CC3)cn2)CC1 ZINC000328761385 819545911 /nfs/dbraw/zinc/54/59/11/819545911.db2.gz XZEOYPQJZCBDTB-QGZVFWFLSA-N 2 1 374.533 1.316 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969966 824264791 /nfs/dbraw/zinc/26/47/91/824264791.db2.gz XTGNHIHNOXAVHX-CVEARBPZSA-N 2 1 365.909 1.591 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969966 824264799 /nfs/dbraw/zinc/26/47/99/824264799.db2.gz XTGNHIHNOXAVHX-CVEARBPZSA-N 2 1 365.909 1.591 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CCC[N@H+]1C ZINC000329489530 824830525 /nfs/dbraw/zinc/83/05/25/824830525.db2.gz HPHUQQDRJMZFHM-XYJFISCASA-N 2 1 362.522 1.743 20 30 FDEDMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329961696 825569053 /nfs/dbraw/zinc/56/90/53/825569053.db2.gz RSXYSWBNNFXYSO-JKSUJKDBSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329961696 825569064 /nfs/dbraw/zinc/56/90/64/825569064.db2.gz RSXYSWBNNFXYSO-JKSUJKDBSA-N 2 1 361.490 1.545 20 30 FDEDMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)nc(C)[nH+]1 ZINC000330182739 825709652 /nfs/dbraw/zinc/70/96/52/825709652.db2.gz HMMZOHHBFWAEQD-MRXNPFEDSA-N 2 1 358.490 1.803 20 30 FDEDMP Cc1cc(N2CCC(NC(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)nc(C)[nH+]1 ZINC000330182739 825709659 /nfs/dbraw/zinc/70/96/59/825709659.db2.gz HMMZOHHBFWAEQD-MRXNPFEDSA-N 2 1 358.490 1.803 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)C1 ZINC001088200137 827434752 /nfs/dbraw/zinc/43/47/52/827434752.db2.gz QRFRUKOHYGBAJJ-QRVBRYPASA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)C1 ZINC001088200137 827434757 /nfs/dbraw/zinc/43/47/57/827434757.db2.gz QRFRUKOHYGBAJJ-QRVBRYPASA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)C1 ZINC001088200137 827434762 /nfs/dbraw/zinc/43/47/62/827434762.db2.gz QRFRUKOHYGBAJJ-QRVBRYPASA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262791851 831456650 /nfs/dbraw/zinc/45/66/50/831456650.db2.gz OGUXTVRFSPNASB-MSOLQXFVSA-N 2 1 363.550 1.817 20 30 FDEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)N1CC[C@]2(CCOC2)C1 ZINC000261979653 837382055 /nfs/dbraw/zinc/38/20/55/837382055.db2.gz ONVJLUATLSUKOL-FQEVSTJZSA-N 2 1 372.517 1.021 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105641450 842292196 /nfs/dbraw/zinc/29/21/96/842292196.db2.gz BGYMECHGSMXHCC-HNBVOPMISA-N 2 1 360.502 1.734 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1C#N ZINC001076569123 848463524 /nfs/dbraw/zinc/46/35/24/848463524.db2.gz KKKMLKRFRHISKO-YQVWRLOYSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1C#N ZINC001076569123 848463532 /nfs/dbraw/zinc/46/35/32/848463532.db2.gz KKKMLKRFRHISKO-YQVWRLOYSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1C#N ZINC001076569123 848463537 /nfs/dbraw/zinc/46/35/37/848463537.db2.gz KKKMLKRFRHISKO-YQVWRLOYSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835770 848964534 /nfs/dbraw/zinc/96/45/34/848964534.db2.gz NOYUCUIIYVZYOF-BEFAXECRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001088835770 848964539 /nfs/dbraw/zinc/96/45/39/848964539.db2.gz NOYUCUIIYVZYOF-BEFAXECRSA-N 2 1 370.497 1.988 20 30 FDEDMP CCOCCC[NH+]=C(NC[C@@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912499683 859826542 /nfs/dbraw/zinc/82/65/42/859826542.db2.gz YBPZTKQPVNTFKS-QGZVFWFLSA-N 2 1 355.571 1.630 20 30 FDEDMP CCC[N@H+]1CC[C@H](CNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912506020 859830999 /nfs/dbraw/zinc/83/09/99/859830999.db2.gz FRAQLBHVWVIPKM-GOSISDBHSA-N 2 1 367.582 1.774 20 30 FDEDMP CCC[N@@H+]1CC[C@H](CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912506020 859831002 /nfs/dbraw/zinc/83/10/02/859831002.db2.gz FRAQLBHVWVIPKM-GOSISDBHSA-N 3 1 367.582 1.774 20 30 FDEDMP CCC[N@H+]1CC[C@H](CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912506020 859831015 /nfs/dbraw/zinc/83/10/15/859831015.db2.gz FRAQLBHVWVIPKM-GOSISDBHSA-N 3 1 367.582 1.774 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983193 865911446 /nfs/dbraw/zinc/91/14/46/865911446.db2.gz LUXJQOLTUHUTMJ-QAPCUYQASA-N 2 1 368.481 1.742 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001088983193 865911449 /nfs/dbraw/zinc/91/14/49/865911449.db2.gz LUXJQOLTUHUTMJ-QAPCUYQASA-N 2 1 368.481 1.742 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC3CC(OCC)C3)[C@@H]2C)CC1 ZINC001089059150 866381014 /nfs/dbraw/zinc/38/10/14/866381014.db2.gz BCVSGNOCSXBVTL-OQUMVOOASA-N 2 1 361.530 1.726 20 30 FDEDMP C#CCN(C(=O)NCc1cccnc1-n1cc[nH+]c1C)C1CC[NH+](C)CC1 ZINC000914323008 872363148 /nfs/dbraw/zinc/36/31/48/872363148.db2.gz RTXYNQIZGSTIQB-UHFFFAOYSA-N 2 1 366.469 1.815 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106811261 878171702 /nfs/dbraw/zinc/17/17/02/878171702.db2.gz YGXFSVYMEZNAMV-IAGOWNOFSA-N 2 1 369.469 1.768 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054308 885586478 /nfs/dbraw/zinc/58/64/78/885586478.db2.gz BKUOPVSAEAXKTP-KSZLIROESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054308 885586482 /nfs/dbraw/zinc/58/64/82/885586482.db2.gz BKUOPVSAEAXKTP-KSZLIROESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054308 885586494 /nfs/dbraw/zinc/58/64/94/885586494.db2.gz BKUOPVSAEAXKTP-KSZLIROESA-N 2 1 360.506 1.460 20 30 FDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000923350751 888983817 /nfs/dbraw/zinc/98/38/17/888983817.db2.gz NYOVQYLUQJVYNM-DYXWJJEUSA-N 2 1 351.450 1.972 20 30 FDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945549 896730115 /nfs/dbraw/zinc/73/01/15/896730115.db2.gz SEOYQMMTBPYVFL-KZNAEPCWSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945549 896730125 /nfs/dbraw/zinc/73/01/25/896730125.db2.gz SEOYQMMTBPYVFL-KZNAEPCWSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945549 896730142 /nfs/dbraw/zinc/73/01/42/896730142.db2.gz SEOYQMMTBPYVFL-KZNAEPCWSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945549 896730158 /nfs/dbraw/zinc/73/01/58/896730158.db2.gz SEOYQMMTBPYVFL-KZNAEPCWSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945549 896730173 /nfs/dbraw/zinc/73/01/73/896730173.db2.gz SEOYQMMTBPYVFL-KZNAEPCWSA-N 2 1 365.518 1.269 20 30 FDEDMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084349287 914135299 /nfs/dbraw/zinc/13/52/99/914135299.db2.gz GBLQIQXMSIHCRC-BHIFYINESA-N 2 1 363.505 1.913 20 30 FDEDMP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@H]2CC[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001084349287 914135311 /nfs/dbraw/zinc/13/53/11/914135311.db2.gz GBLQIQXMSIHCRC-BHIFYINESA-N 2 1 363.505 1.913 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccccc3C#N)C2)CC[N@H+]1C ZINC001078405510 898747863 /nfs/dbraw/zinc/74/78/63/898747863.db2.gz POBTWCFCENLPOK-NSISKUIASA-N 2 1 370.497 1.606 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079211232 902163888 /nfs/dbraw/zinc/16/38/88/902163888.db2.gz XQKDPOCWFPQUBJ-IPMKNSEASA-N 2 1 361.461 1.616 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079211232 902163894 /nfs/dbraw/zinc/16/38/94/902163894.db2.gz XQKDPOCWFPQUBJ-IPMKNSEASA-N 2 1 361.461 1.616 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245968 902255148 /nfs/dbraw/zinc/25/51/48/902255148.db2.gz MDQIYOLSWVYSOX-RBUKOAKNSA-N 2 1 361.530 1.986 20 30 FDEDMP C=CCC[C@@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107172593 903548515 /nfs/dbraw/zinc/54/85/15/903548515.db2.gz BFJZNFOKXRJHPQ-IIDMSEBBSA-N 2 1 360.506 1.446 20 30 FDEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107435942 904896027 /nfs/dbraw/zinc/89/60/27/904896027.db2.gz GXTJAZCZUPLKBY-QWFCFKBJSA-N 2 1 359.518 1.750 20 30 FDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107435942 904896033 /nfs/dbraw/zinc/89/60/33/904896033.db2.gz GXTJAZCZUPLKBY-QWFCFKBJSA-N 2 1 359.518 1.750 20 30 FDEDMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)C1 ZINC001080446282 905449380 /nfs/dbraw/zinc/44/93/80/905449380.db2.gz GNPLJASNXCFYKF-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)C1 ZINC001080446282 905449382 /nfs/dbraw/zinc/44/93/82/905449382.db2.gz GNPLJASNXCFYKF-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)C1 ZINC001080446282 905449385 /nfs/dbraw/zinc/44/93/85/905449385.db2.gz GNPLJASNXCFYKF-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)c(F)c3)C[C@H]2C)C1 ZINC001080446282 905449388 /nfs/dbraw/zinc/44/93/88/905449388.db2.gz GNPLJASNXCFYKF-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279077 906598627 /nfs/dbraw/zinc/59/86/27/906598627.db2.gz LRUUMEZQZPVDLU-QZTJIDSGSA-N 2 1 355.442 1.663 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](OC)C1 ZINC001082279077 906598642 /nfs/dbraw/zinc/59/86/42/906598642.db2.gz LRUUMEZQZPVDLU-QZTJIDSGSA-N 2 1 355.442 1.663 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)cn3)C[C@H]2C)CC1 ZINC001080997593 906970703 /nfs/dbraw/zinc/97/07/03/906970703.db2.gz GHALZNBTYZNPRP-DNVCBOLYSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)cn3)C[C@H]2C)CC1 ZINC001080997593 906970715 /nfs/dbraw/zinc/97/07/15/906970715.db2.gz GHALZNBTYZNPRP-DNVCBOLYSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2C)CC1 ZINC001080998223 906975971 /nfs/dbraw/zinc/97/59/71/906975971.db2.gz WFOLECHIMYVASJ-OYGLOCFBSA-N 2 1 361.530 1.583 20 30 FDEDMP CC#CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001127887854 907477089 /nfs/dbraw/zinc/47/70/89/907477089.db2.gz BNDDZYXLFNHMHG-NZSAHSFTSA-N 2 1 370.497 1.514 20 30 FDEDMP CC#CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001127887854 907477099 /nfs/dbraw/zinc/47/70/99/907477099.db2.gz BNDDZYXLFNHMHG-NZSAHSFTSA-N 2 1 370.497 1.514 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001082922683 910930640 /nfs/dbraw/zinc/93/06/40/910930640.db2.gz VHUQUYRVFUOQSK-RDTXWAMCSA-N 2 1 367.453 1.709 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nc(C)oc3C)C2)CC1 ZINC001082941508 911018253 /nfs/dbraw/zinc/01/82/53/911018253.db2.gz UYOLPPHHOYTPDP-AUUYWEPGSA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000730278291 916505928 /nfs/dbraw/zinc/50/59/28/916505928.db2.gz JZDSLSKTHRNMJZ-NRFANRHFSA-N 2 1 368.525 1.803 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000730278291 916505938 /nfs/dbraw/zinc/50/59/38/916505938.db2.gz JZDSLSKTHRNMJZ-NRFANRHFSA-N 2 1 368.525 1.803 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnccc4C)C[C@H]32)CC1 ZINC001084850998 917656717 /nfs/dbraw/zinc/65/67/17/917656717.db2.gz IFIABOYVDPZQNB-TZIWHRDSSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4conc4CC)C[C@H]32)CC1 ZINC001084851373 917660985 /nfs/dbraw/zinc/66/09/85/917660985.db2.gz ZHXCCYHJYCFIDA-YLJYHZDGSA-N 2 1 370.497 1.615 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4conc4CC)C[C@H]32)CC1 ZINC001084851373 917660990 /nfs/dbraw/zinc/66/09/90/917660990.db2.gz ZHXCCYHJYCFIDA-YLJYHZDGSA-N 2 1 370.497 1.615 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001109977290 930935228 /nfs/dbraw/zinc/93/52/28/930935228.db2.gz CBYPCKMHMIUCMC-QYZOEREBSA-N 2 1 356.470 1.358 20 30 FDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484916 938440257 /nfs/dbraw/zinc/44/02/57/938440257.db2.gz PLFVVUHZNSXTDB-MOPGFXCFSA-N 2 1 368.485 1.328 20 30 FDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484916 938440258 /nfs/dbraw/zinc/44/02/58/938440258.db2.gz PLFVVUHZNSXTDB-MOPGFXCFSA-N 2 1 368.485 1.328 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484916 938440259 /nfs/dbraw/zinc/44/02/59/938440259.db2.gz PLFVVUHZNSXTDB-MOPGFXCFSA-N 2 1 368.485 1.328 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](n2ccnn2)C1 ZINC001129484916 938440260 /nfs/dbraw/zinc/44/02/60/938440260.db2.gz PLFVVUHZNSXTDB-MOPGFXCFSA-N 2 1 368.485 1.328 20 30 FDEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686163 938485199 /nfs/dbraw/zinc/48/51/99/938485199.db2.gz YGLNQCAXZIZYPI-KURKYZTESA-N 2 1 362.522 1.684 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614879 939912315 /nfs/dbraw/zinc/91/23/15/939912315.db2.gz GCTHKPDYQBWWMU-UHOSZYNNSA-N 2 1 359.518 1.755 20 30 FDEDMP C=C(C)CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802297 940197133 /nfs/dbraw/zinc/19/71/33/940197133.db2.gz MTQDXXYRGGNGIU-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n2)O1 ZINC001130820235 940227562 /nfs/dbraw/zinc/22/75/62/940227562.db2.gz PFLJUHDXVTZXAN-LSDHHAIUSA-N 2 1 364.494 1.147 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001086665078 940552400 /nfs/dbraw/zinc/55/24/00/940552400.db2.gz PNBAVVGREAIULG-IPMKNSEASA-N 2 1 356.470 1.263 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001086665078 940552401 /nfs/dbraw/zinc/55/24/01/940552401.db2.gz PNBAVVGREAIULG-IPMKNSEASA-N 2 1 356.470 1.263 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC001086720754 941619167 /nfs/dbraw/zinc/61/91/67/941619167.db2.gz MITDGFRDDGAURQ-SCTDSRPQSA-N 2 1 358.486 1.764 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)noc2C)C1 ZINC001086720754 941619169 /nfs/dbraw/zinc/61/91/69/941619169.db2.gz MITDGFRDDGAURQ-SCTDSRPQSA-N 2 1 358.486 1.764 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110715247 971458657 /nfs/dbraw/zinc/45/86/57/971458657.db2.gz SOEGEILVTUCFMZ-TVFCKZIOSA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001110715247 971458664 /nfs/dbraw/zinc/45/86/64/971458664.db2.gz SOEGEILVTUCFMZ-TVFCKZIOSA-N 2 1 364.534 1.473 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001086880793 952911604 /nfs/dbraw/zinc/91/16/04/952911604.db2.gz OXFZDNPWPXRIGJ-ZCNNSNEGSA-N 2 1 370.497 1.653 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001086880793 952911605 /nfs/dbraw/zinc/91/16/05/952911605.db2.gz OXFZDNPWPXRIGJ-ZCNNSNEGSA-N 2 1 370.497 1.653 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cnn(C)c1 ZINC001086982413 952995298 /nfs/dbraw/zinc/99/52/98/952995298.db2.gz ICFNFHLEBUFKGW-DLBZAZTESA-N 2 1 365.909 1.541 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cnn(C)c1 ZINC001086982413 952995300 /nfs/dbraw/zinc/99/53/00/952995300.db2.gz ICFNFHLEBUFKGW-DLBZAZTESA-N 2 1 365.909 1.541 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cnn(C)c1 ZINC001086981948 953034431 /nfs/dbraw/zinc/03/44/31/953034431.db2.gz LXBVJHLOXOSXCB-JKSUJKDBSA-N 2 1 365.909 1.541 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193944 957751753 /nfs/dbraw/zinc/75/17/53/957751753.db2.gz QVJLVVTWBBBYDQ-SZVBFZGTSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193944 957751763 /nfs/dbraw/zinc/75/17/63/957751763.db2.gz QVJLVVTWBBBYDQ-SZVBFZGTSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193944 957751772 /nfs/dbraw/zinc/75/17/72/957751772.db2.gz QVJLVVTWBBBYDQ-SZVBFZGTSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193550 957752371 /nfs/dbraw/zinc/75/23/71/957752371.db2.gz JUMNWHGAEBBDSR-HHXXYDBFSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193550 957752376 /nfs/dbraw/zinc/75/23/76/957752376.db2.gz JUMNWHGAEBBDSR-HHXXYDBFSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193550 957752379 /nfs/dbraw/zinc/75/23/79/957752379.db2.gz JUMNWHGAEBBDSR-HHXXYDBFSA-N 2 1 370.497 1.703 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001093215110 957835804 /nfs/dbraw/zinc/83/58/04/957835804.db2.gz UWFAKXHNHNVHTF-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001093215110 957835816 /nfs/dbraw/zinc/83/58/16/957835816.db2.gz UWFAKXHNHNVHTF-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001093215110 957835826 /nfs/dbraw/zinc/83/58/26/957835826.db2.gz UWFAKXHNHNVHTF-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3C#N)C[C@H]2C)C1 ZINC001093215110 957835839 /nfs/dbraw/zinc/83/58/39/957835839.db2.gz UWFAKXHNHNVHTF-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001093830600 958921138 /nfs/dbraw/zinc/92/11/38/958921138.db2.gz KDEBAQJMKVCLIL-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001093830600 958921148 /nfs/dbraw/zinc/92/11/48/958921148.db2.gz KDEBAQJMKVCLIL-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001093921010 959218012 /nfs/dbraw/zinc/21/80/12/959218012.db2.gz HFSXHNLRAJCPRU-DNVCBOLYSA-N 2 1 351.454 1.948 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccccc2C#N)[C@H](C)C1 ZINC001094221484 960050257 /nfs/dbraw/zinc/05/02/57/960050257.db2.gz MCJXWYRGSKCCHQ-DNVCBOLYSA-N 2 1 351.454 1.948 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731342 964398260 /nfs/dbraw/zinc/39/82/60/964398260.db2.gz RVWQCACGRLZWFA-XDNAFOTISA-N 2 1 362.518 1.106 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290478 970115701 /nfs/dbraw/zinc/11/57/01/970115701.db2.gz ZPDRYPCSGLEGOQ-RTBURBONSA-N 2 1 360.502 1.816 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194744645 970351323 /nfs/dbraw/zinc/35/13/23/970351323.db2.gz AYOANRXNFRKWRU-IEBWSBKVSA-N 2 1 360.502 1.670 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194744645 970351332 /nfs/dbraw/zinc/35/13/32/970351332.db2.gz AYOANRXNFRKWRU-IEBWSBKVSA-N 2 1 360.502 1.670 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745926 970354670 /nfs/dbraw/zinc/35/46/70/970354670.db2.gz OGBMBZTWPQPNIO-IEBWSBKVSA-N 2 1 362.518 1.894 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)C1 ZINC001194745926 970354679 /nfs/dbraw/zinc/35/46/79/970354679.db2.gz OGBMBZTWPQPNIO-IEBWSBKVSA-N 2 1 362.518 1.894 20 30 FDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)CC1(C#N)CCOCC1 ZINC000863551669 973009409 /nfs/dbraw/zinc/00/94/09/973009409.db2.gz PFLOFLHGXXSYPF-KRWDZBQOSA-N 2 1 355.442 1.737 20 30 FDEDMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884278948 983049653 /nfs/dbraw/zinc/04/96/53/983049653.db2.gz XMVIPVFBZXMJRC-KLRDNXEFSA-N 2 1 354.454 1.307 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NCC=C)CC1 ZINC000886394037 986148842 /nfs/dbraw/zinc/14/88/42/986148842.db2.gz NLXCOSDMZFUWPP-VPLLLXJESA-N 2 1 364.534 1.543 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCC=C)CC1 ZINC000886394037 986148848 /nfs/dbraw/zinc/14/88/48/986148848.db2.gz NLXCOSDMZFUWPP-VPLLLXJESA-N 2 1 364.534 1.543 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCC=C)CC1 ZINC000886394037 986148856 /nfs/dbraw/zinc/14/88/56/986148856.db2.gz NLXCOSDMZFUWPP-VPLLLXJESA-N 2 1 364.534 1.543 20 30 FDEDMP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876758779 992881740 /nfs/dbraw/zinc/88/17/40/992881740.db2.gz MRWFPLZVQDVAEJ-IBGZPJMESA-N 2 1 370.497 1.751 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000876775722 992900492 /nfs/dbraw/zinc/90/04/92/992900492.db2.gz DURIYYBHIQEWKG-WMLDXEAASA-N 2 1 367.877 1.864 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000876775722 992900499 /nfs/dbraw/zinc/90/04/99/992900499.db2.gz DURIYYBHIQEWKG-WMLDXEAASA-N 2 1 367.877 1.864 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877229446 993121861 /nfs/dbraw/zinc/12/18/61/993121861.db2.gz MONHOXMAHCVHSI-SJORKVTESA-N 2 1 351.878 1.782 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877229446 993121867 /nfs/dbraw/zinc/12/18/67/993121867.db2.gz MONHOXMAHCVHSI-SJORKVTESA-N 2 1 351.878 1.782 20 30 FDEDMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000878050738 993655927 /nfs/dbraw/zinc/65/59/27/993655927.db2.gz AEXJNTRZKUNBFV-UHFFFAOYSA-N 2 1 356.470 1.612 20 30 FDEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C[C@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000878174381 993761924 /nfs/dbraw/zinc/76/19/24/993761924.db2.gz AMNFHSZTNGMAGE-SFTDATJTSA-N 2 1 357.498 1.964 20 30 FDEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C[C@@H](O)C2CC2)c1)C[C@@H](O)C1CC1 ZINC000878174379 993762223 /nfs/dbraw/zinc/76/22/23/993762223.db2.gz AMNFHSZTNGMAGE-NHCUHLMSSA-N 2 1 357.498 1.964 20 30 FDEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=[NH2+])NC3CCCCC3)cc2)CC1 ZINC000264093280 997401099 /nfs/dbraw/zinc/40/10/99/997401099.db2.gz LKMAXWOLNCPAIK-UHFFFAOYSA-N 2 1 357.502 1.811 20 30 FDEDMP N#Cc1ccc(CNC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000266721070 999220225 /nfs/dbraw/zinc/22/02/25/999220225.db2.gz JNTREFNQZKJLKI-UHFFFAOYSA-N 2 1 370.497 1.751 20 30 FDEDMP C[NH+]1CCC([C@@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000270032261 999502639 /nfs/dbraw/zinc/50/26/39/999502639.db2.gz DRAWZFAQYIRRPA-MJGOQNOKSA-N 2 1 366.465 1.854 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000270817669 999619187 /nfs/dbraw/zinc/61/91/87/999619187.db2.gz HXSPHMKGNIGRAX-RTWAWAEBSA-N 2 1 369.509 1.331 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000930283040 1002995247 /nfs/dbraw/zinc/99/52/47/1002995247.db2.gz CFJNZHPBSGABRR-INIZCTEOSA-N 2 1 358.490 1.677 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000930283040 1002995251 /nfs/dbraw/zinc/99/52/51/1002995251.db2.gz CFJNZHPBSGABRR-INIZCTEOSA-N 2 1 358.490 1.677 20 30 FDEDMP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303866450 1009643403 /nfs/dbraw/zinc/64/34/03/1009643403.db2.gz CKFJHCUSIZQHEV-MRXNPFEDSA-N 2 1 367.538 1.976 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1cccc(C(F)(F)F)c1 ZINC000303901210 1009684485 /nfs/dbraw/zinc/68/44/85/1009684485.db2.gz XGAXPUAFYDFBEQ-UHFFFAOYSA-N 2 1 374.407 1.711 20 30 FDEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc2c(c1)OCO2 ZINC000303968521 1009781040 /nfs/dbraw/zinc/78/10/40/1009781040.db2.gz ARNLAMIJFYRPPA-UHFFFAOYSA-N 2 1 362.474 1.320 20 30 FDEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958185 523097593 /nfs/dbraw/zinc/09/75/93/523097593.db2.gz BBCYPFFQRXTLFX-QGZVFWFLSA-N 2 1 362.518 1.762 20 30 FDEDMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000139467694 524289528 /nfs/dbraw/zinc/28/95/28/524289528.db2.gz DAAXXBUQKJNCKK-LJQANCHMSA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000139467694 524289534 /nfs/dbraw/zinc/28/95/34/524289534.db2.gz DAAXXBUQKJNCKK-LJQANCHMSA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000139467694 524289542 /nfs/dbraw/zinc/28/95/42/524289542.db2.gz DAAXXBUQKJNCKK-LJQANCHMSA-N 2 1 355.486 1.870 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089896887 524540004 /nfs/dbraw/zinc/54/00/04/524540004.db2.gz IAGODXNYNLOJJV-WOJBJXKFSA-N 2 1 372.513 1.571 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC1CCCCCC1 ZINC000092277126 524864074 /nfs/dbraw/zinc/86/40/74/524864074.db2.gz RFSDUSZNJVFICQ-UHFFFAOYSA-N 2 1 359.522 1.616 20 30 FDEDMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)N(C)CCC#N)CC2)C[C@H](C)O1 ZINC000092799854 524917676 /nfs/dbraw/zinc/91/76/76/524917676.db2.gz AUMAKIDIANJVOY-HDICACEKSA-N 2 1 364.534 1.960 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000124641520 525039310 /nfs/dbraw/zinc/03/93/10/525039310.db2.gz UGIFSZFPPLDQOX-SFHVURJKSA-N 2 1 371.485 1.371 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000124641278 525040818 /nfs/dbraw/zinc/04/08/18/525040818.db2.gz UGIFSZFPPLDQOX-GOSISDBHSA-N 2 1 371.485 1.371 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1OCC(F)(F)F ZINC000104177232 525398272 /nfs/dbraw/zinc/39/82/72/525398272.db2.gz FJBPVCVIBZGETL-UHFFFAOYSA-N 2 1 374.407 1.754 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCOC)[C@@H](CCC)C2)CC1 ZINC000179538026 525599272 /nfs/dbraw/zinc/59/92/72/525599272.db2.gz YUWXULGBJWZRPT-SFHVURJKSA-N 2 1 352.523 1.779 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000106340700 525696866 /nfs/dbraw/zinc/69/68/66/525696866.db2.gz MJCLKAVALOIWSJ-KRWDZBQOSA-N 2 1 364.534 1.922 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000188168271 536284733 /nfs/dbraw/zinc/28/47/33/536284733.db2.gz ARHLYZIJHSSPBE-QFIPXVFZSA-N 2 1 369.509 1.427 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000189956429 537120495 /nfs/dbraw/zinc/12/04/95/537120495.db2.gz CUSFYTJTQOHYQC-HZPDHXFCSA-N 2 1 358.486 1.744 20 30 FDEDMP CCN(CC)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000264101869 537137500 /nfs/dbraw/zinc/13/75/00/537137500.db2.gz OLUIFBGMHYHXRC-KRWDZBQOSA-N 2 1 367.563 1.758 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371374788 537825849 /nfs/dbraw/zinc/82/58/49/537825849.db2.gz SDKJTLKKTLHLJZ-IBGZPJMESA-N 2 1 350.507 1.475 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433325687 538224831 /nfs/dbraw/zinc/22/48/31/538224831.db2.gz KGHMHEQUUDMVEU-QGZVFWFLSA-N 2 1 352.523 1.827 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000583770489 551399720 /nfs/dbraw/zinc/39/97/20/551399720.db2.gz FWEQEFHOXYMABC-IYBDPMFKSA-N 2 1 350.507 1.132 20 30 FDEDMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000594438803 552310172 /nfs/dbraw/zinc/31/01/72/552310172.db2.gz LSNXYPKFGIESFT-PKOBYXMFSA-N 2 1 357.502 1.725 20 30 FDEDMP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000595905885 552631494 /nfs/dbraw/zinc/63/14/94/552631494.db2.gz WYRLEYYJNATFAT-HNNXBMFYSA-N 2 1 350.488 1.991 20 30 FDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000595905885 552631495 /nfs/dbraw/zinc/63/14/95/552631495.db2.gz WYRLEYYJNATFAT-HNNXBMFYSA-N 2 1 350.488 1.991 20 30 FDEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595948516 552637166 /nfs/dbraw/zinc/63/71/66/552637166.db2.gz MCSYLUYYVLIMKK-MOPGFXCFSA-N 2 1 357.502 1.330 20 30 FDEDMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595948516 552637167 /nfs/dbraw/zinc/63/71/67/552637167.db2.gz MCSYLUYYVLIMKK-MOPGFXCFSA-N 2 1 357.502 1.330 20 30 FDEDMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000599389900 553042989 /nfs/dbraw/zinc/04/29/89/553042989.db2.gz AVNXYDNEQJGHHP-INIZCTEOSA-N 2 1 360.458 1.284 20 30 FDEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600718669 553306618 /nfs/dbraw/zinc/30/66/18/553306618.db2.gz QVTHSOKBERJQTR-FQEVSTJZSA-N 2 1 356.514 1.968 20 30 FDEDMP C=C(C)C[C@@H](NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(=O)OC ZINC000602599082 553609734 /nfs/dbraw/zinc/60/97/34/553609734.db2.gz GPAPIQWAEDWRPU-GOSISDBHSA-N 2 1 373.497 1.994 20 30 FDEDMP C[C@@H]1C[NH+](C/C=C\C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)N1CC#N ZINC000602847393 553650220 /nfs/dbraw/zinc/65/02/20/553650220.db2.gz BBDAPSDMMULINR-DQTQQJQMSA-N 2 1 358.534 1.379 20 30 FDEDMP C[C@@H]1C[NH+](C/C=C\C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)N1CC#N ZINC000602847393 553650221 /nfs/dbraw/zinc/65/02/21/553650221.db2.gz BBDAPSDMMULINR-DQTQQJQMSA-N 2 1 358.534 1.379 20 30 FDEDMP C=C(CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000620749596 555979154 /nfs/dbraw/zinc/97/91/54/555979154.db2.gz GGRXAFNGYSCYBS-XSLAGTTESA-N 2 1 364.534 1.236 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000134119127 671826101 /nfs/dbraw/zinc/82/61/01/671826101.db2.gz ZJYPLGUAHQRLHT-OAHLLOKOSA-N 2 1 353.511 1.490 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOc1ncccc1C(F)(F)F ZINC000160517960 672002527 /nfs/dbraw/zinc/00/25/27/672002527.db2.gz SZDHIALPQWNGHD-LBPRGKRZSA-N 2 1 359.396 1.868 20 30 FDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261616561 672636568 /nfs/dbraw/zinc/63/65/68/672636568.db2.gz AVCZUSMOPFVIFN-LNLFQRSKSA-N 2 1 352.523 1.157 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000262355691 672775797 /nfs/dbraw/zinc/77/57/97/672775797.db2.gz FVKYGFAVCUZZNR-DLBZAZTESA-N 2 1 370.563 1.337 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCCCC1 ZINC000262355691 672775800 /nfs/dbraw/zinc/77/58/00/672775800.db2.gz FVKYGFAVCUZZNR-DLBZAZTESA-N 2 1 370.563 1.337 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCOCC1 ZINC000264085729 672900794 /nfs/dbraw/zinc/90/07/94/672900794.db2.gz JQNYZZNFHUQCCA-CVEARBPZSA-N 2 1 365.547 1.510 20 30 FDEDMP CCC(CC)[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)N1CCOCC1 ZINC000303790339 676543131 /nfs/dbraw/zinc/54/31/31/676543131.db2.gz WBWJMVGDCKAXNH-ZWKOTPCHSA-N 2 1 353.555 1.512 20 30 FDEDMP CCO[C@@H]1C[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C12CCCCC2 ZINC000304781482 676544554 /nfs/dbraw/zinc/54/45/54/676544554.db2.gz GIQDNOFJRXULFT-DLBZAZTESA-N 2 1 352.523 1.741 20 30 FDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CSCC#N ZINC000365912956 677391203 /nfs/dbraw/zinc/39/12/03/677391203.db2.gz ULBFFIXCUAICAV-UHFFFAOYSA-N 2 1 352.548 1.898 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374616311 678088474 /nfs/dbraw/zinc/08/84/74/678088474.db2.gz YYQSVPZMHORJIA-MSOLQXFVSA-N 2 1 350.551 1.900 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374616311 678088476 /nfs/dbraw/zinc/08/84/76/678088476.db2.gz YYQSVPZMHORJIA-MSOLQXFVSA-N 2 1 350.551 1.900 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC#C[C@H]3CCCCO3)CC2)CC1 ZINC000891116439 773311457 /nfs/dbraw/zinc/31/14/57/773311457.db2.gz MSHJDYADABQRSD-HXUWFJFHSA-N 2 1 361.530 1.871 20 30 FDEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105243752 795531530 /nfs/dbraw/zinc/53/15/30/795531530.db2.gz IIFOWTOABQURQH-ZWKOTPCHSA-N 2 1 360.506 1.448 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001026916138 800173856 /nfs/dbraw/zinc/17/38/56/800173856.db2.gz BEFVXBBTSPEFEV-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001026916138 800173860 /nfs/dbraw/zinc/17/38/60/800173860.db2.gz BEFVXBBTSPEFEV-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1 ZINC001211713445 809069040 /nfs/dbraw/zinc/06/90/40/809069040.db2.gz LZTIFLXHENEXOF-VQTJNVASSA-N 2 1 357.498 1.562 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000333135572 810473607 /nfs/dbraw/zinc/47/36/07/810473607.db2.gz CHLZYIPJWANFPM-UHFFFAOYSA-N 2 1 363.550 1.543 20 30 FDEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)N(C)Cc1ccon1 ZINC000261749831 811310662 /nfs/dbraw/zinc/31/06/62/811310662.db2.gz LRZXJQXHGAOONV-UHFFFAOYSA-N 2 1 357.462 1.029 20 30 FDEDMP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000261933643 811346744 /nfs/dbraw/zinc/34/67/44/811346744.db2.gz BWQRJCPALRZAFT-FUHWJXTLSA-N 2 1 371.533 1.704 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261950654 811351677 /nfs/dbraw/zinc/35/16/77/811351677.db2.gz HFULITKRKZSQSN-APWZRJJASA-N 2 1 371.529 1.465 20 30 FDEDMP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000515838464 816469205 /nfs/dbraw/zinc/46/92/05/816469205.db2.gz XSIAZYUBWFUNPW-GOSISDBHSA-N 2 1 369.469 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cncn3C)[C@@H]2CC)CC1 ZINC001087840240 822559013 /nfs/dbraw/zinc/55/90/13/822559013.db2.gz NKOZULKMFLFMNC-RBUKOAKNSA-N 2 1 357.502 1.234 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087908886 823734488 /nfs/dbraw/zinc/73/44/88/823734488.db2.gz QCHGBERTHASZHY-QHAWAJNXSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087908886 823734496 /nfs/dbraw/zinc/73/44/96/823734496.db2.gz QCHGBERTHASZHY-QHAWAJNXSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1 ZINC001087908886 823734505 /nfs/dbraw/zinc/73/45/05/823734505.db2.gz QCHGBERTHASZHY-QHAWAJNXSA-N 2 1 351.494 1.913 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[N@H+]3CCC[C@H]3C2)CCC[NH+]1C ZINC000329510806 824844168 /nfs/dbraw/zinc/84/41/68/824844168.db2.gz MVLXXJMRJUFAMB-XYJFISCASA-N 2 1 360.506 1.497 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+]3CCC[C@H]3C2)CCC[N@@H+]1C ZINC000329510806 824844173 /nfs/dbraw/zinc/84/41/73/824844173.db2.gz MVLXXJMRJUFAMB-XYJFISCASA-N 2 1 360.506 1.497 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cc(C)ncn3)CC[C@@H]2C1 ZINC001087998190 825076480 /nfs/dbraw/zinc/07/64/80/825076480.db2.gz WCPLUCNKCQTKNG-HBFSDRIKSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cc(C)ncn3)CC[C@@H]2C1 ZINC001087998190 825076486 /nfs/dbraw/zinc/07/64/86/825076486.db2.gz WCPLUCNKCQTKNG-HBFSDRIKSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)ncn3)CC[C@@H]2C1 ZINC001087998190 825076487 /nfs/dbraw/zinc/07/64/87/825076487.db2.gz WCPLUCNKCQTKNG-HBFSDRIKSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cc(C)ncn3)CC[C@@H]2C1 ZINC001087998190 825076492 /nfs/dbraw/zinc/07/64/92/825076492.db2.gz WCPLUCNKCQTKNG-HBFSDRIKSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ncc(C)o4)CC[C@@H]3C2)CC1 ZINC001088212057 827493795 /nfs/dbraw/zinc/49/37/95/827493795.db2.gz MRLOCFJIDYIFPN-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ncc(C)o4)CC[C@@H]3C2)CC1 ZINC001088212057 827493799 /nfs/dbraw/zinc/49/37/99/827493799.db2.gz MRLOCFJIDYIFPN-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179086599 827916361 /nfs/dbraw/zinc/91/63/61/827916361.db2.gz VKQYGDBDUMCGSC-QGZVFWFLSA-N 2 1 362.522 1.157 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088571903 834851355 /nfs/dbraw/zinc/85/13/55/834851355.db2.gz QZZUXZSLEBPNLX-UIFIKXQLSA-N 2 1 351.494 1.959 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC#Cc1ccccc1 ZINC001088571903 834851370 /nfs/dbraw/zinc/85/13/70/834851370.db2.gz QZZUXZSLEBPNLX-UIFIKXQLSA-N 2 1 351.494 1.959 20 30 FDEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261979657 837381889 /nfs/dbraw/zinc/38/18/89/837381889.db2.gz ONVJLUATLSUKOL-HXUWFJFHSA-N 2 1 372.517 1.021 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668593 843837394 /nfs/dbraw/zinc/83/73/94/843837394.db2.gz LGZIEMMWJPAERO-QCFAMHMHSA-N 2 1 363.546 1.708 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cncs4)C[C@H]32)CC1 ZINC001076605842 848557324 /nfs/dbraw/zinc/55/73/24/848557324.db2.gz VYGYNRFVZKZCON-FUHWJXTLSA-N 2 1 358.511 1.521 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cncs4)C[C@H]32)CC1 ZINC001076605842 848557328 /nfs/dbraw/zinc/55/73/28/848557328.db2.gz VYGYNRFVZKZCON-FUHWJXTLSA-N 2 1 358.511 1.521 20 30 FDEDMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077128711 849842865 /nfs/dbraw/zinc/84/28/65/849842865.db2.gz BIAOSHGDEZLFQX-XUVXKRRUSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077128711 849842869 /nfs/dbraw/zinc/84/28/69/849842869.db2.gz BIAOSHGDEZLFQX-XUVXKRRUSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077128711 849842876 /nfs/dbraw/zinc/84/28/76/849842876.db2.gz BIAOSHGDEZLFQX-XUVXKRRUSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077128711 849842882 /nfs/dbraw/zinc/84/28/82/849842882.db2.gz BIAOSHGDEZLFQX-XUVXKRRUSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)[N@H+]1CC[C@@H](CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912507107 859831607 /nfs/dbraw/zinc/83/16/07/859831607.db2.gz UYDHXLMAYIAHKW-SFHVURJKSA-N 3 1 367.582 1.773 20 30 FDEDMP Cc1noc(C)c1CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912507013 859831568 /nfs/dbraw/zinc/83/15/68/859831568.db2.gz SQECPZFDTLQNMY-UHFFFAOYSA-N 2 1 351.495 1.847 20 30 FDEDMP CC(C)[N@H+]1CC[C@@H](CNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912507107 859831590 /nfs/dbraw/zinc/83/15/90/859831590.db2.gz UYDHXLMAYIAHKW-SFHVURJKSA-N 2 1 367.582 1.773 20 30 FDEDMP CC(C)[N@@H+]1CC[C@@H](CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912507107 859831596 /nfs/dbraw/zinc/83/15/96/859831596.db2.gz UYDHXLMAYIAHKW-SFHVURJKSA-N 3 1 367.582 1.773 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001088899103 865324177 /nfs/dbraw/zinc/32/41/77/865324177.db2.gz MPUCBBOEDMIDJT-BPQIPLTHSA-N 2 1 362.518 1.084 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)[C@@H]2C)CC1 ZINC001089059268 866384598 /nfs/dbraw/zinc/38/45/98/866384598.db2.gz GQYIJUWYOLNILR-PVAVHDDUSA-N 2 1 369.456 1.335 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)ns3)[C@@H]2C)CC1 ZINC001089059688 866385915 /nfs/dbraw/zinc/38/59/15/866385915.db2.gz WBTVMDGEPPCLJS-QAPCUYQASA-N 2 1 360.527 1.876 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)ns3)[C@@H]2C)CC1 ZINC001089059688 866385930 /nfs/dbraw/zinc/38/59/30/866385930.db2.gz WBTVMDGEPPCLJS-QAPCUYQASA-N 2 1 360.527 1.876 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccc(OC)nc3)[C@@H]2C)CC1 ZINC001089059882 866388362 /nfs/dbraw/zinc/38/83/62/866388362.db2.gz GVJFJZVEEVQQFP-APWZRJJASA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnccc3C)[C@@H]2C)CC1 ZINC001089059991 866389924 /nfs/dbraw/zinc/38/99/24/866389924.db2.gz MEWWNPPVZPKYJQ-XLIONFOSSA-N 2 1 354.498 1.814 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1)C(C)C ZINC000457753599 867671739 /nfs/dbraw/zinc/67/17/39/867671739.db2.gz QHIIGNQGGHAGBT-CEXWTWQISA-N 2 1 366.550 1.782 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137577 883111709 /nfs/dbraw/zinc/11/17/09/883111709.db2.gz RUEOBQRYLONAGP-XSYGEPLQSA-N 2 1 364.534 1.416 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC001099332707 884731324 /nfs/dbraw/zinc/73/13/24/884731324.db2.gz IUVIAAPUDPYCTO-VXGBXAGGSA-N 2 1 351.800 1.814 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989000 884804460 /nfs/dbraw/zinc/80/44/60/884804460.db2.gz JPDWLSGPIWKZFC-KURKYZTESA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989000 884804474 /nfs/dbraw/zinc/80/44/74/884804474.db2.gz JPDWLSGPIWKZFC-KURKYZTESA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989000 884804493 /nfs/dbraw/zinc/80/44/93/884804493.db2.gz JPDWLSGPIWKZFC-KURKYZTESA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054309 885585083 /nfs/dbraw/zinc/58/50/83/885585083.db2.gz BKUOPVSAEAXKTP-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054309 885585110 /nfs/dbraw/zinc/58/51/10/885585110.db2.gz BKUOPVSAEAXKTP-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054309 885585117 /nfs/dbraw/zinc/58/51/17/885585117.db2.gz BKUOPVSAEAXKTP-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199399 886265376 /nfs/dbraw/zinc/26/53/76/886265376.db2.gz HZPZPFXMBDSRQR-FJIDUMEYSA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199399 886265398 /nfs/dbraw/zinc/26/53/98/886265398.db2.gz HZPZPFXMBDSRQR-FJIDUMEYSA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129199399 886265415 /nfs/dbraw/zinc/26/54/15/886265415.db2.gz HZPZPFXMBDSRQR-FJIDUMEYSA-N 2 1 360.506 1.316 20 30 FDEDMP [NH3+][C@@H]1C[C@H](O)[C@@H]([N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC000923531077 889632288 /nfs/dbraw/zinc/63/22/88/889632288.db2.gz NLPNTAZLLXSMJF-PQFOHKHZSA-N 2 1 368.268 1.940 20 30 FDEDMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084352200 914152260 /nfs/dbraw/zinc/15/22/60/914152260.db2.gz XLSCLTRNFKNQPB-WTGUMLROSA-N 2 1 361.530 1.842 20 30 FDEDMP CCCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024557 897383952 /nfs/dbraw/zinc/38/39/52/897383952.db2.gz MMUZMBSEJYKFQI-QWFCFKBJSA-N 2 1 369.550 1.883 20 30 FDEDMP CCCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024557 897383961 /nfs/dbraw/zinc/38/39/61/897383961.db2.gz MMUZMBSEJYKFQI-QWFCFKBJSA-N 2 1 369.550 1.883 20 30 FDEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024557 897383977 /nfs/dbraw/zinc/38/39/77/897383977.db2.gz MMUZMBSEJYKFQI-QWFCFKBJSA-N 2 1 369.550 1.883 20 30 FDEDMP CCCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024557 897383994 /nfs/dbraw/zinc/38/39/94/897383994.db2.gz MMUZMBSEJYKFQI-QWFCFKBJSA-N 2 1 369.550 1.883 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981508 897448889 /nfs/dbraw/zinc/44/88/89/897448889.db2.gz RIZKQGZEVCNONX-FGTMMUONSA-N 2 1 364.534 1.047 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC001084355961 914174184 /nfs/dbraw/zinc/17/41/84/914174184.db2.gz RFPHQYWHNLQFLD-HUYLIWGRSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC[NH+]1C ZINC001084355961 914174186 /nfs/dbraw/zinc/17/41/86/914174186.db2.gz RFPHQYWHNLQFLD-HUYLIWGRSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)CC[NH+]1C ZINC001084355961 914174193 /nfs/dbraw/zinc/17/41/93/914174193.db2.gz RFPHQYWHNLQFLD-HUYLIWGRSA-N 2 1 352.482 1.931 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142844 901951838 /nfs/dbraw/zinc/95/18/38/901951838.db2.gz XLHSKGDVHSVGHZ-NHCUHLMSSA-N 2 1 371.525 1.978 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cccc(F)c1 ZINC001079203619 902104884 /nfs/dbraw/zinc/10/48/84/902104884.db2.gz DRCAYCQZUQGQDF-RBUKOAKNSA-N 2 1 359.445 1.065 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260569 902297743 /nfs/dbraw/zinc/29/77/43/902297743.db2.gz CFLYJDDMKYGPTC-GBESFXJTSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273974 902337496 /nfs/dbraw/zinc/33/74/96/902337496.db2.gz ZSYRPKRYCRMTHP-YESZJQIVSA-N 2 1 367.921 1.630 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273974 902337506 /nfs/dbraw/zinc/33/75/06/902337506.db2.gz ZSYRPKRYCRMTHP-YESZJQIVSA-N 2 1 367.921 1.630 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710440 903120685 /nfs/dbraw/zinc/12/06/85/903120685.db2.gz IUIVBEFHABGYLY-UIAACRFSSA-N 2 1 352.482 1.837 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710440 903120690 /nfs/dbraw/zinc/12/06/90/903120690.db2.gz IUIVBEFHABGYLY-UIAACRFSSA-N 2 1 352.482 1.837 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710540 903120701 /nfs/dbraw/zinc/12/07/01/903120701.db2.gz MPBSNBPLFAUKQP-LXGCGDOSSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710540 903120705 /nfs/dbraw/zinc/12/07/05/903120705.db2.gz MPBSNBPLFAUKQP-LXGCGDOSSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710598 903121622 /nfs/dbraw/zinc/12/16/22/903121622.db2.gz PBPKJVFJXUXANO-UIAACRFSSA-N 2 1 352.482 1.837 20 30 FDEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107426097 904846470 /nfs/dbraw/zinc/84/64/70/904846470.db2.gz FZSTVJSKTKNJPC-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107426097 904846473 /nfs/dbraw/zinc/84/64/73/904846473.db2.gz FZSTVJSKTKNJPC-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107426097 904846476 /nfs/dbraw/zinc/84/64/76/904846476.db2.gz FZSTVJSKTKNJPC-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132910 905929407 /nfs/dbraw/zinc/92/94/07/905929407.db2.gz XGIQIPGSYZTVAW-GPMSIDNRSA-N 2 1 355.498 1.981 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132910 905929414 /nfs/dbraw/zinc/92/94/14/905929414.db2.gz XGIQIPGSYZTVAW-GPMSIDNRSA-N 2 1 355.498 1.981 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@H](OC)C1 ZINC001082132910 905929418 /nfs/dbraw/zinc/92/94/18/905929418.db2.gz XGIQIPGSYZTVAW-GPMSIDNRSA-N 2 1 355.498 1.981 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccnc(OC)c3)C[C@H]2C)CC1 ZINC001080997618 906971286 /nfs/dbraw/zinc/97/12/86/906971286.db2.gz HBCPEIGSGKYPJW-VQIMIIECSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(OC)c3)C[C@H]2C)CC1 ZINC001080997618 906971291 /nfs/dbraw/zinc/97/12/91/906971291.db2.gz HBCPEIGSGKYPJW-VQIMIIECSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3scnc3C)C[C@H]2C)CC1 ZINC001080998304 906975651 /nfs/dbraw/zinc/97/56/51/906975651.db2.gz YAMGTMNNHWSXIH-RHSMWYFYSA-N 2 1 360.527 1.733 20 30 FDEDMP CC[NH+]=C(NCC[N@H+]1CCC[C@@H](C)C1)N1CCN(c2ncccn2)CC1 ZINC000073447179 909731932 /nfs/dbraw/zinc/73/19/32/909731932.db2.gz SNESHQOBYXDVMZ-QGZVFWFLSA-N 2 1 359.522 1.296 20 30 FDEDMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082742465 909944684 /nfs/dbraw/zinc/94/46/84/909944684.db2.gz GWWNUMPAOSJDLH-QMTMVMCOSA-N 2 1 358.461 1.976 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC001084942918 918606237 /nfs/dbraw/zinc/60/62/37/918606237.db2.gz VVTFQEMMZNQJLL-WBVHZDCISA-N 2 1 365.909 1.734 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC001084942918 918606243 /nfs/dbraw/zinc/60/62/43/918606243.db2.gz VVTFQEMMZNQJLL-WBVHZDCISA-N 2 1 365.909 1.734 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109718720 930237037 /nfs/dbraw/zinc/23/70/37/930237037.db2.gz KMIKZUOYJGEWGS-FPAYPSAMSA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001109718720 930237040 /nfs/dbraw/zinc/23/70/40/930237040.db2.gz KMIKZUOYJGEWGS-FPAYPSAMSA-N 2 1 358.486 1.678 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001109977756 930937032 /nfs/dbraw/zinc/93/70/32/930937032.db2.gz YEURPMHQVRYLCH-QYZOEREBSA-N 2 1 356.470 1.358 20 30 FDEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001086600448 934083169 /nfs/dbraw/zinc/08/31/69/934083169.db2.gz UIMCTBZCTVAJAG-LZWWZHRGSA-N 2 1 365.477 1.067 20 30 FDEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001086600448 934083182 /nfs/dbraw/zinc/08/31/82/934083182.db2.gz UIMCTBZCTVAJAG-LZWWZHRGSA-N 2 1 365.477 1.067 20 30 FDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086600448 934083194 /nfs/dbraw/zinc/08/31/94/934083194.db2.gz UIMCTBZCTVAJAG-LZWWZHRGSA-N 2 1 365.477 1.067 20 30 FDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086600448 934083206 /nfs/dbraw/zinc/08/32/06/934083206.db2.gz UIMCTBZCTVAJAG-LZWWZHRGSA-N 2 1 365.477 1.067 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001130028084 938630216 /nfs/dbraw/zinc/63/02/16/938630216.db2.gz HHWMGKRDQCEMBH-SJORKVTESA-N 2 1 369.473 1.053 20 30 FDEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123150 938705016 /nfs/dbraw/zinc/70/50/16/938705016.db2.gz IUJSCYPRKDFWQA-KURKYZTESA-N 2 1 362.522 1.542 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130695445 939990136 /nfs/dbraw/zinc/99/01/36/939990136.db2.gz SIUIQJIKXIMVTP-FUHWJXTLSA-N 2 1 356.474 1.475 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988907 940410784 /nfs/dbraw/zinc/41/07/84/940410784.db2.gz PHGOXEPYLCSQBP-KURKYZTESA-N 2 1 357.502 1.200 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003276 940429606 /nfs/dbraw/zinc/42/96/06/940429606.db2.gz BILKVGHSCONPJO-KURKYZTESA-N 2 1 357.502 1.202 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000815652801 941933522 /nfs/dbraw/zinc/93/35/22/941933522.db2.gz UDEMMJRAWZNPPN-QUCCMNQESA-N 2 1 373.497 1.957 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000815652801 941933525 /nfs/dbraw/zinc/93/35/25/941933525.db2.gz UDEMMJRAWZNPPN-QUCCMNQESA-N 2 1 373.497 1.957 20 30 FDEDMP CC[NH+]=C(NCC[N@H+]1CCCC[C@H]1C)N1CCN(c2ncccn2)CC1 ZINC000114067133 971022117 /nfs/dbraw/zinc/02/21/17/971022117.db2.gz JEDBHNIZOXPWCF-QGZVFWFLSA-N 2 1 359.522 1.439 20 30 FDEDMP C#CCNC(=O)CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604111 971250033 /nfs/dbraw/zinc/25/00/33/971250033.db2.gz JJBWKVMWRYJQQQ-LJQANCHMSA-N 2 1 358.486 1.514 20 30 FDEDMP C#CCNC(=O)CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604111 971250036 /nfs/dbraw/zinc/25/00/36/971250036.db2.gz JJBWKVMWRYJQQQ-LJQANCHMSA-N 2 1 358.486 1.514 20 30 FDEDMP C#CCNC(=O)CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604111 971250040 /nfs/dbraw/zinc/25/00/40/971250040.db2.gz JJBWKVMWRYJQQQ-LJQANCHMSA-N 2 1 358.486 1.514 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cncc([C@@H]2C[NH+]3CCC2CC3)n1 ZINC001171070441 946828007 /nfs/dbraw/zinc/82/80/07/946828007.db2.gz BKYSQPXSANDNHF-SJORKVTESA-N 2 1 373.501 1.925 20 30 FDEDMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+](CC)CC ZINC001196115156 971486293 /nfs/dbraw/zinc/48/62/93/971486293.db2.gz KFQSOBJUEDDTGB-GUDVDZBRSA-N 2 1 358.486 1.340 20 30 FDEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+](CC)CC ZINC001196115156 971486298 /nfs/dbraw/zinc/48/62/98/971486298.db2.gz KFQSOBJUEDDTGB-GUDVDZBRSA-N 2 1 358.486 1.340 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1c1cnn(C)c1 ZINC001087007593 953093591 /nfs/dbraw/zinc/09/35/91/953093591.db2.gz LMXVGXQPZBTNMO-NSHGMRRFSA-N 2 1 357.502 1.366 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087101167 953272327 /nfs/dbraw/zinc/27/23/27/953272327.db2.gz WWSNLFTXFSESIV-VAMGGRTRSA-N 2 1 370.497 1.463 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nocc4C)C[C@@]3(C)C2)CC1 ZINC001092299999 954747591 /nfs/dbraw/zinc/74/75/91/954747591.db2.gz NZGPJRLXEUYLJQ-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nocc4C)C[C@@]3(C)C2)CC1 ZINC001092299999 954747603 /nfs/dbraw/zinc/74/76/03/954747603.db2.gz NZGPJRLXEUYLJQ-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319506 972193219 /nfs/dbraw/zinc/19/32/19/972193219.db2.gz KOTWSEXZOBDQFP-QZTJIDSGSA-N 2 1 353.507 1.005 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110142986 957936516 /nfs/dbraw/zinc/93/65/16/957936516.db2.gz TXIUPIGTOSJVDW-AABGKKOBSA-N 2 1 355.482 1.733 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C2 ZINC001110142986 957936526 /nfs/dbraw/zinc/93/65/26/957936526.db2.gz TXIUPIGTOSJVDW-AABGKKOBSA-N 2 1 355.482 1.733 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001093673238 958516446 /nfs/dbraw/zinc/51/64/46/958516446.db2.gz MZAUPVZLSCBEDK-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417325 960409254 /nfs/dbraw/zinc/40/92/54/960409254.db2.gz UPXHMJMBIAHXOX-UYAOXDASSA-N 2 1 357.502 1.442 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2cnon2)CC3)CC1 ZINC001094582367 960882635 /nfs/dbraw/zinc/88/26/35/960882635.db2.gz NGZDFOJSCMGCOJ-UYAOXDASSA-N 2 1 371.485 1.276 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2cnon2)CC3)CC1 ZINC001094582367 960882645 /nfs/dbraw/zinc/88/26/45/960882645.db2.gz NGZDFOJSCMGCOJ-UYAOXDASSA-N 2 1 371.485 1.276 20 30 FDEDMP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC001171554075 961218187 /nfs/dbraw/zinc/21/81/87/961218187.db2.gz FHKWUSMTQZBSBZ-UHFFFAOYSA-N 2 1 374.444 1.893 20 30 FDEDMP C[N@H+]1CCCN(CC[NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)CC1 ZINC001173425651 962133802 /nfs/dbraw/zinc/13/38/02/962133802.db2.gz GRVQZCPEFYBIDH-UHFFFAOYSA-N 2 1 369.513 1.390 20 30 FDEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001188962478 966673726 /nfs/dbraw/zinc/67/37/26/966673726.db2.gz AGBIZSIPCFKWTQ-RBUKOAKNSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001188962478 966673734 /nfs/dbraw/zinc/67/37/34/966673734.db2.gz AGBIZSIPCFKWTQ-RBUKOAKNSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852873342 967679872 /nfs/dbraw/zinc/67/98/72/967679872.db2.gz SOOVGVQEBOWUJM-GOSISDBHSA-N 2 1 354.498 1.316 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594517 977807794 /nfs/dbraw/zinc/80/77/94/977807794.db2.gz DNXDWYBGICMMRO-RBUKOAKNSA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594517 977807799 /nfs/dbraw/zinc/80/77/99/977807799.db2.gz DNXDWYBGICMMRO-RBUKOAKNSA-N 2 1 359.518 1.305 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849594517 977807806 /nfs/dbraw/zinc/80/78/06/977807806.db2.gz DNXDWYBGICMMRO-RBUKOAKNSA-N 2 1 359.518 1.305 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884193757 982969648 /nfs/dbraw/zinc/96/96/48/982969648.db2.gz OOHCALRKBMEOIS-JMDAGXMHSA-N 2 1 352.482 1.907 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000884234184 983009053 /nfs/dbraw/zinc/00/90/53/983009053.db2.gz KOPNNPZRELSJEJ-IDYZSHNDSA-N 2 1 367.497 1.064 20 30 FDEDMP C#Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000124655841 989160349 /nfs/dbraw/zinc/16/03/49/989160349.db2.gz MKWDSJASYLIEPT-IBGZPJMESA-N 2 1 370.497 1.481 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@]2([NH+](C)C)CCOc3ccccc32)CC1 ZINC000370026259 989396238 /nfs/dbraw/zinc/39/62/38/989396238.db2.gz LXQIFCPIOFUMKT-NRFANRHFSA-N 2 1 355.482 1.830 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000370913305 990117276 /nfs/dbraw/zinc/11/72/76/990117276.db2.gz WDSXIKCXXIAEQT-IEBWSBKVSA-N 2 1 357.502 1.264 20 30 FDEDMP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3[NH2+]CCc4cc(C#N)ccc43)cn2)CC1 ZINC000877196377 993098533 /nfs/dbraw/zinc/09/85/33/993098533.db2.gz YGDALEMZYJZIHM-LJQANCHMSA-N 2 1 364.453 1.847 20 30 FDEDMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000877228885 993120460 /nfs/dbraw/zinc/12/04/60/993120460.db2.gz FHQHFCVQSNGKJL-HXUWFJFHSA-N 2 1 355.482 1.315 20 30 FDEDMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000877228885 993120473 /nfs/dbraw/zinc/12/04/73/993120473.db2.gz FHQHFCVQSNGKJL-HXUWFJFHSA-N 2 1 355.482 1.315 20 30 FDEDMP C[C@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259428 995762073 /nfs/dbraw/zinc/76/20/73/995762073.db2.gz SNQWKRHDXIUHOF-QFBILLFUSA-N 2 1 352.438 1.904 20 30 FDEDMP CC[NH+](CC)Cc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264080654 997398688 /nfs/dbraw/zinc/39/86/88/997398688.db2.gz IHWNYPAOTBBLNM-UHFFFAOYSA-N 3 1 361.534 1.655 20 30 FDEDMP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000264084692 997399522 /nfs/dbraw/zinc/39/95/22/997399522.db2.gz IVELHLMETWSRNH-QGZVFWFLSA-N 2 1 359.518 1.060 20 30 FDEDMP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000264084692 997399530 /nfs/dbraw/zinc/39/95/30/997399530.db2.gz IVELHLMETWSRNH-QGZVFWFLSA-N 2 1 359.518 1.060 20 30 FDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000266898685 999259737 /nfs/dbraw/zinc/25/97/37/999259737.db2.gz FVAHUYRTZJZNLT-LJQANCHMSA-N 2 1 355.486 1.233 20 30 FDEDMP Cc1[nH+]ccn1CCCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000267382157 999324282 /nfs/dbraw/zinc/32/42/82/999324282.db2.gz AXZWYHPZZFTIHR-UHFFFAOYSA-N 2 1 364.494 1.839 20 30 FDEDMP COc1ccc(OC(F)F)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000268055555 999421302 /nfs/dbraw/zinc/42/13/02/999421302.db2.gz AOHOLTBTHMZWPG-UHFFFAOYSA-N 2 1 372.416 1.423 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000928648732 1001607060 /nfs/dbraw/zinc/60/70/60/1001607060.db2.gz QVFIAYXCGZKBDI-VQTJNVASSA-N 2 1 371.529 1.448 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281430 1002643901 /nfs/dbraw/zinc/64/39/01/1002643901.db2.gz RPTMGENYQQEOIR-KURKYZTESA-N 2 1 374.529 1.228 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281430 1002643911 /nfs/dbraw/zinc/64/39/11/1002643911.db2.gz RPTMGENYQQEOIR-KURKYZTESA-N 2 1 374.529 1.228 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)CC1 ZINC000930010296 1002734242 /nfs/dbraw/zinc/73/42/42/1002734242.db2.gz PCGSSOCNAYEMBM-GOSISDBHSA-N 2 1 364.534 1.332 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)CC1 ZINC000930010296 1002734253 /nfs/dbraw/zinc/73/42/53/1002734253.db2.gz PCGSSOCNAYEMBM-GOSISDBHSA-N 2 1 364.534 1.332 20 30 FDEDMP C#CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](C)CC1 ZINC000931062595 1003834889 /nfs/dbraw/zinc/83/48/89/1003834889.db2.gz RNGAZGMPXYMJQN-IBGZPJMESA-N 2 1 374.529 1.066 20 30 FDEDMP C#CC1(O)CC[NH+](CC(C[NH+]2CCC(O)(C#C)CC2)c2ccccc2)CC1 ZINC000931150817 1003926445 /nfs/dbraw/zinc/92/64/45/1003926445.db2.gz BEWYLPSAQGLWRZ-UHFFFAOYSA-N 2 1 366.505 1.690 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000931345002 1004073609 /nfs/dbraw/zinc/07/36/09/1004073609.db2.gz XUVKJDZQOASUNR-UHFFFAOYSA-N 2 1 357.498 1.727 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCOCC1 ZINC000245910878 1006209794 /nfs/dbraw/zinc/20/97/94/1006209794.db2.gz PCKSBCCNHFODDC-RBUKOAKNSA-N 2 1 359.518 1.449 20 30 FDEDMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCCCC3)c2)C1 ZINC000304759134 1010477506 /nfs/dbraw/zinc/47/75/06/1010477506.db2.gz QUTBRCXHGVQKNF-SFHVURJKSA-N 2 1 357.502 1.685 20 30 FDEDMP CC(C)CCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000304765161 1010489923 /nfs/dbraw/zinc/48/99/23/1010489923.db2.gz YXVZXAQGFOOHEI-SFHVURJKSA-N 2 1 359.518 1.834 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000779654047 1010661014 /nfs/dbraw/zinc/66/10/14/1010661014.db2.gz YEQTXMIWCWVTLV-OAHLLOKOSA-N 2 1 370.413 1.716 20 30 FDEDMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000779654047 1010661022 /nfs/dbraw/zinc/66/10/22/1010661022.db2.gz YEQTXMIWCWVTLV-OAHLLOKOSA-N 2 1 370.413 1.716 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(-c2ccccn2)c1 ZINC000160790071 524970736 /nfs/dbraw/zinc/97/07/36/524970736.db2.gz BQGBITPIJAZUCX-UHFFFAOYSA-N 2 1 353.470 1.875 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000107370705 525879674 /nfs/dbraw/zinc/87/96/74/525879674.db2.gz VTAAJTQXPZYQCT-OALUTQOASA-N 2 1 358.486 1.010 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1 ZINC000185358693 536206369 /nfs/dbraw/zinc/20/63/69/536206369.db2.gz NCBWBHMYDIBBEK-UHFFFAOYSA-N 2 1 365.566 1.742 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ncc(-c2ccccc2)cn1 ZINC000185592889 536213186 /nfs/dbraw/zinc/21/31/86/536213186.db2.gz BANRXCDQAIZPBI-UHFFFAOYSA-N 2 1 354.458 1.270 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)C(C)C ZINC000274863146 537532957 /nfs/dbraw/zinc/53/29/57/537532957.db2.gz QCJXVZJAPZZPQQ-IBGZPJMESA-N 2 1 366.550 1.783 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000483918181 538746649 /nfs/dbraw/zinc/74/66/49/538746649.db2.gz RCELZEBZZPLZOK-INIZCTEOSA-N 2 1 364.534 1.380 20 30 FDEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CN(C)CCC#N)CC2)oc1C ZINC000562999410 546348560 /nfs/dbraw/zinc/34/85/60/546348560.db2.gz MYNCPICCRFACOL-GOSISDBHSA-N 2 1 363.506 1.299 20 30 FDEDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000563140042 546421826 /nfs/dbraw/zinc/42/18/26/546421826.db2.gz AZRQFNHUDKWOHH-MOPGFXCFSA-N 2 1 361.486 1.175 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C[C@H](O)CN(C)CCC#N)cc2)C[C@H](C)O1 ZINC000565291680 547293120 /nfs/dbraw/zinc/29/31/20/547293120.db2.gz AWCLFUHKQUHPQJ-UEXGIBASSA-N 2 1 374.529 1.592 20 30 FDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000591728855 551904298 /nfs/dbraw/zinc/90/42/98/551904298.db2.gz ZRBKDIZNAXZCOY-SJORKVTESA-N 2 1 350.532 1.756 20 30 FDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000591728855 551904300 /nfs/dbraw/zinc/90/43/00/551904300.db2.gz ZRBKDIZNAXZCOY-SJORKVTESA-N 2 1 350.532 1.756 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@]3(C#N)CCSC3)CC2)CC1 ZINC000594257248 552272007 /nfs/dbraw/zinc/27/20/07/552272007.db2.gz BKGLRZOHELGNSA-GOSISDBHSA-N 2 1 350.532 1.698 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000597439365 552789424 /nfs/dbraw/zinc/78/94/24/552789424.db2.gz IAZUQNPUPCVERR-IBGZPJMESA-N 2 1 367.497 1.918 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC3([NH3+])CCOCC3)CC2)cc1 ZINC000599930746 553176044 /nfs/dbraw/zinc/17/60/44/553176044.db2.gz OMNJNWVLQQJOPY-UHFFFAOYSA-N 2 1 371.485 1.283 20 30 FDEDMP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000600736839 553309288 /nfs/dbraw/zinc/30/92/88/553309288.db2.gz SWMUYUXVFJXBQA-VQTJNVASSA-N 2 1 373.497 1.414 20 30 FDEDMP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000602890336 553661796 /nfs/dbraw/zinc/66/17/96/553661796.db2.gz HHQTUTKUAISPCM-SFHVURJKSA-N 2 1 364.877 1.929 20 30 FDEDMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000602890336 553661797 /nfs/dbraw/zinc/66/17/97/553661797.db2.gz HHQTUTKUAISPCM-SFHVURJKSA-N 2 1 364.877 1.929 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158614415 671981279 /nfs/dbraw/zinc/98/12/79/671981279.db2.gz ILEJSQMYWYDIQA-INIZCTEOSA-N 2 1 372.579 1.581 20 30 FDEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000187856151 672287276 /nfs/dbraw/zinc/28/72/76/672287276.db2.gz HGYZSEFQJDMTNQ-UHFFFAOYSA-N 2 1 360.380 1.712 20 30 FDEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000187856151 672287277 /nfs/dbraw/zinc/28/72/77/672287277.db2.gz HGYZSEFQJDMTNQ-UHFFFAOYSA-N 2 1 360.380 1.712 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000261654706 672643907 /nfs/dbraw/zinc/64/39/07/672643907.db2.gz FIXBLNAJAFPWTG-YYIAUSFCSA-N 2 1 350.507 1.220 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000261654706 672643911 /nfs/dbraw/zinc/64/39/11/672643911.db2.gz FIXBLNAJAFPWTG-YYIAUSFCSA-N 2 1 350.507 1.220 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(OC)cc(OC)cc1OC ZINC000264063942 672899709 /nfs/dbraw/zinc/89/97/09/672899709.db2.gz ALORXQFMBMPTFP-CYBMUJFWSA-N 2 1 350.463 1.601 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccs1)N1CCOCC1 ZINC000264085733 672900807 /nfs/dbraw/zinc/90/08/07/672900807.db2.gz JQNYZZNFHUQCCA-HOTGVXAUSA-N 2 1 365.547 1.510 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(Br)c1 ZINC000264130160 672902401 /nfs/dbraw/zinc/90/24/01/672902401.db2.gz TVMNUAFKXGEUFH-UHFFFAOYSA-N 2 1 355.280 1.576 20 30 FDEDMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329816066 676658790 /nfs/dbraw/zinc/65/87/90/676658790.db2.gz VSKYSCKXSIEMMU-KLZNWCGWSA-N 2 1 352.523 1.861 20 30 FDEDMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000329816066 676658791 /nfs/dbraw/zinc/65/87/91/676658791.db2.gz VSKYSCKXSIEMMU-KLZNWCGWSA-N 2 1 352.523 1.861 20 30 FDEDMP CC(C)[N@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330245789 676680724 /nfs/dbraw/zinc/68/07/24/676680724.db2.gz XWCKEGSLORTACO-MSOLQXFVSA-N 2 1 352.523 1.694 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435681440 681622457 /nfs/dbraw/zinc/62/24/57/681622457.db2.gz KGWWWEUWIHDXNK-HNNXBMFYSA-N 2 1 362.499 1.704 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435681440 681622461 /nfs/dbraw/zinc/62/24/61/681622461.db2.gz KGWWWEUWIHDXNK-HNNXBMFYSA-N 2 1 362.499 1.704 20 30 FDEDMP Cc1nc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C#N ZINC001164684719 719622919 /nfs/dbraw/zinc/62/29/19/719622919.db2.gz WWRZCLSMUBEHLV-UHFFFAOYSA-N 2 1 359.865 1.982 20 30 FDEDMP Cc1nc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C#N ZINC001164684719 719622927 /nfs/dbraw/zinc/62/29/27/719622927.db2.gz WWRZCLSMUBEHLV-UHFFFAOYSA-N 2 1 359.865 1.982 20 30 FDEDMP CC(C)[N@H+](C)Cc1nn(-c2ncc3c(C#N)c[nH]c3n2)c2c1CC[NH2+]C2 ZINC001164683492 719635014 /nfs/dbraw/zinc/63/50/14/719635014.db2.gz SOMZEEROZRKREF-UHFFFAOYSA-N 2 1 350.430 1.501 20 30 FDEDMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3c(C#N)c[nH]c3n2)c2c1CC[NH2+]C2 ZINC001164683492 719635018 /nfs/dbraw/zinc/63/50/18/719635018.db2.gz SOMZEEROZRKREF-UHFFFAOYSA-N 2 1 350.430 1.501 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CC[C@@]2(CCOC2)C1 ZINC000158136945 782618328 /nfs/dbraw/zinc/61/83/28/782618328.db2.gz MJRUJCYCROOAHS-LJQANCHMSA-N 2 1 354.458 1.764 20 30 FDEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104290838 773823058 /nfs/dbraw/zinc/82/30/58/773823058.db2.gz GBFPUPZSHXQBFD-QRVBRYPASA-N 2 1 361.534 1.854 20 30 FDEDMP C#CC[NH+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001075424244 777967287 /nfs/dbraw/zinc/96/72/87/777967287.db2.gz ICEYJRYCCNLIGY-QWFCFKBJSA-N 2 1 357.473 1.932 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001075424244 777967292 /nfs/dbraw/zinc/96/72/92/777967292.db2.gz ICEYJRYCCNLIGY-QWFCFKBJSA-N 2 1 357.473 1.932 20 30 FDEDMP C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001075424244 777967299 /nfs/dbraw/zinc/96/72/99/777967299.db2.gz ICEYJRYCCNLIGY-QWFCFKBJSA-N 2 1 357.473 1.932 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)C(C)C ZINC000891940697 780307581 /nfs/dbraw/zinc/30/75/81/780307581.db2.gz RKXQPMCEVJXQHZ-IBGZPJMESA-N 2 1 365.566 1.574 20 30 FDEDMP CNC(=O)CC1CCN(C(NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)=[NH+]C)CC1 ZINC000153028587 783339752 /nfs/dbraw/zinc/33/97/52/783339752.db2.gz XPCYGQTUKDWHMF-MRXNPFEDSA-N 2 1 365.566 1.920 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001104742847 791047541 /nfs/dbraw/zinc/04/75/41/791047541.db2.gz OQPKWXNEYLCUBN-QZTJIDSGSA-N 2 1 360.502 1.731 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC000978176619 805255199 /nfs/dbraw/zinc/25/51/99/805255199.db2.gz GYWSYTVJFKFBEO-RYPNDVFKSA-N 2 1 356.308 1.529 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978176619 805255207 /nfs/dbraw/zinc/25/52/07/805255207.db2.gz GYWSYTVJFKFBEO-RYPNDVFKSA-N 2 1 356.308 1.529 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC000978176619 805255214 /nfs/dbraw/zinc/25/52/14/805255214.db2.gz GYWSYTVJFKFBEO-RYPNDVFKSA-N 2 1 356.308 1.529 20 30 FDEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000261935024 811347597 /nfs/dbraw/zinc/34/75/97/811347597.db2.gz CEYXMFCRXMDHTN-NVXWUHKLSA-N 2 1 367.501 1.552 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001028629124 811652268 /nfs/dbraw/zinc/65/22/68/811652268.db2.gz GYYRBKZOYSLABX-MISYRCLQSA-N 2 1 355.482 1.195 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001028629124 811652273 /nfs/dbraw/zinc/65/22/73/811652273.db2.gz GYYRBKZOYSLABX-MISYRCLQSA-N 2 1 355.482 1.195 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001028629124 811652277 /nfs/dbraw/zinc/65/22/77/811652277.db2.gz GYYRBKZOYSLABX-MISYRCLQSA-N 2 1 355.482 1.195 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001028629124 811652282 /nfs/dbraw/zinc/65/22/82/811652282.db2.gz GYYRBKZOYSLABX-MISYRCLQSA-N 2 1 355.482 1.195 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000984014396 820530477 /nfs/dbraw/zinc/53/04/77/820530477.db2.gz KGHJCTKQYDKLSH-UTRMSSBJSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000984014396 820530485 /nfs/dbraw/zinc/53/04/85/820530485.db2.gz KGHJCTKQYDKLSH-UTRMSSBJSA-N 2 1 356.470 1.262 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccns3)[C@@H]2CC)CC1 ZINC001087840471 822559757 /nfs/dbraw/zinc/55/97/57/822559757.db2.gz ZCDNJNXACDLGBL-ZWKOTPCHSA-N 2 1 360.527 1.957 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccns3)[C@@H]2CC)CC1 ZINC001087840471 822559759 /nfs/dbraw/zinc/55/97/59/822559759.db2.gz ZCDNJNXACDLGBL-ZWKOTPCHSA-N 2 1 360.527 1.957 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOC3CCC3)CC[C@@H]2C1 ZINC001087997925 825073010 /nfs/dbraw/zinc/07/30/10/825073010.db2.gz HUBWFFGCXQFZCO-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCOC3CCC3)CC[C@@H]2C1 ZINC001087997925 825073018 /nfs/dbraw/zinc/07/30/18/825073018.db2.gz HUBWFFGCXQFZCO-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCOC3CCC3)CC[C@@H]2C1 ZINC001087997925 825073026 /nfs/dbraw/zinc/07/30/26/825073026.db2.gz HUBWFFGCXQFZCO-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCOC3CCC3)CC[C@@H]2C1 ZINC001087997925 825073032 /nfs/dbraw/zinc/07/30/32/825073032.db2.gz HUBWFFGCXQFZCO-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)ncn1 ZINC000330189582 825712188 /nfs/dbraw/zinc/71/21/88/825712188.db2.gz LXCYHRSQCVSGSH-BEFAXECRSA-N 2 1 373.505 1.429 20 30 FDEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2cc(C#N)n(C)c2)cc[nH+]1 ZINC000475081197 826659179 /nfs/dbraw/zinc/65/91/79/826659179.db2.gz GGSGCFIAOJFTDH-HOCLYGCPSA-N 2 1 357.437 1.459 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccon4)CC[C@@H]3C2)CC1 ZINC001088212122 827493695 /nfs/dbraw/zinc/49/36/95/827493695.db2.gz QMTNTXXVFNDMNG-MSOLQXFVSA-N 2 1 356.470 1.300 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccon4)CC[C@@H]3C2)CC1 ZINC001088212122 827493696 /nfs/dbraw/zinc/49/36/96/827493696.db2.gz QMTNTXXVFNDMNG-MSOLQXFVSA-N 2 1 356.470 1.300 20 30 FDEDMP COc1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C#N ZINC000448550160 829178851 /nfs/dbraw/zinc/17/88/51/829178851.db2.gz RABYTKMMTOXAPA-AEFFLSMTSA-N 2 1 356.470 1.647 20 30 FDEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C ZINC001075940514 840074924 /nfs/dbraw/zinc/07/49/24/840074924.db2.gz TVTUUEMXMBMATA-QXAKKESOSA-N 2 1 370.497 1.940 20 30 FDEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C ZINC001075940514 840074940 /nfs/dbraw/zinc/07/49/40/840074940.db2.gz TVTUUEMXMBMATA-QXAKKESOSA-N 2 1 370.497 1.940 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105641452 842291749 /nfs/dbraw/zinc/29/17/49/842291749.db2.gz BGYMECHGSMXHCC-JYBIWHBTSA-N 2 1 360.502 1.734 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105643415 842335704 /nfs/dbraw/zinc/33/57/04/842335704.db2.gz XYKHUJZTFGUFNJ-HNBVOPMISA-N 2 1 358.486 1.181 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668697 843831322 /nfs/dbraw/zinc/83/13/22/843831322.db2.gz MARUNIBXVUWWNT-LFGUQSLTSA-N 2 1 351.535 1.870 20 30 FDEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076462337 848212944 /nfs/dbraw/zinc/21/29/44/848212944.db2.gz QPZOSQXQHBAHCY-RLFYNMQTSA-N 2 1 358.511 1.994 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076462337 848212954 /nfs/dbraw/zinc/21/29/54/848212954.db2.gz QPZOSQXQHBAHCY-RLFYNMQTSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076462337 848212963 /nfs/dbraw/zinc/21/29/63/848212963.db2.gz QPZOSQXQHBAHCY-RLFYNMQTSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001076462337 848212969 /nfs/dbraw/zinc/21/29/69/848212969.db2.gz QPZOSQXQHBAHCY-RLFYNMQTSA-N 2 1 358.511 1.994 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000669035482 860864008 /nfs/dbraw/zinc/86/40/08/860864008.db2.gz MOZKJZGBXXCMBL-SJORKVTESA-N 2 1 360.506 1.530 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)[C@@H]2C)CC1 ZINC001089059739 866387987 /nfs/dbraw/zinc/38/79/87/866387987.db2.gz YTVQRNTUFSPGKL-JRGCBEDISA-N 2 1 369.509 1.644 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495624 872516279 /nfs/dbraw/zinc/51/62/79/872516279.db2.gz KXDLKWQQLNWGMA-QZTJIDSGSA-N 2 1 367.534 1.657 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495624 872516291 /nfs/dbraw/zinc/51/62/91/872516291.db2.gz KXDLKWQQLNWGMA-QZTJIDSGSA-N 2 1 367.534 1.657 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)[C@H](OC)C1 ZINC001212495624 872516304 /nfs/dbraw/zinc/51/63/04/872516304.db2.gz KXDLKWQQLNWGMA-QZTJIDSGSA-N 2 1 367.534 1.657 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000917097669 882966547 /nfs/dbraw/zinc/96/65/47/882966547.db2.gz FLJFAOIPXOSNBH-SFHVURJKSA-N 2 1 350.507 1.579 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001033094525 878903304 /nfs/dbraw/zinc/90/33/04/878903304.db2.gz IPQADJNXXQXCDG-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC001033094525 878903309 /nfs/dbraw/zinc/90/33/09/878903309.db2.gz IPQADJNXXQXCDG-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC001033094525 878903314 /nfs/dbraw/zinc/90/33/14/878903314.db2.gz IPQADJNXXQXCDG-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106860198 881177866 /nfs/dbraw/zinc/17/78/66/881177866.db2.gz NJEBYBSCSLWEFH-AQNXPRMDSA-N 2 1 363.546 1.975 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000999499021 912843318 /nfs/dbraw/zinc/84/33/18/912843318.db2.gz YNDZQYAXSSLJOT-MGPQQGTHSA-N 2 1 360.296 1.195 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000999499021 912843337 /nfs/dbraw/zinc/84/33/37/912843337.db2.gz YNDZQYAXSSLJOT-MGPQQGTHSA-N 2 1 360.296 1.195 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000999494916 912895613 /nfs/dbraw/zinc/89/56/13/912895613.db2.gz JHVPFXRKABLRRM-CKEIUWERSA-N 2 1 362.499 1.419 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000999494916 912895623 /nfs/dbraw/zinc/89/56/23/912895623.db2.gz JHVPFXRKABLRRM-CKEIUWERSA-N 2 1 362.499 1.419 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923401461 889140941 /nfs/dbraw/zinc/14/09/41/889140941.db2.gz NHYVOUPBGVTBIR-SQWLQELKSA-N 2 1 357.376 1.757 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923401461 889140951 /nfs/dbraw/zinc/14/09/51/889140951.db2.gz NHYVOUPBGVTBIR-SQWLQELKSA-N 2 1 357.376 1.757 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000923402561 889141858 /nfs/dbraw/zinc/14/18/58/889141858.db2.gz YEKIHBFBRPJETH-RBSFLKMASA-N 2 1 357.376 1.757 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000923402561 889141862 /nfs/dbraw/zinc/14/18/62/889141862.db2.gz YEKIHBFBRPJETH-RBSFLKMASA-N 2 1 357.376 1.757 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)C1 ZINC000923555464 889771298 /nfs/dbraw/zinc/77/12/98/889771298.db2.gz QUHCVZOFVSVQQZ-UNMCSNQZSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)C1 ZINC000923555464 889771304 /nfs/dbraw/zinc/77/13/04/889771304.db2.gz QUHCVZOFVSVQQZ-UNMCSNQZSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000923555464 889771308 /nfs/dbraw/zinc/77/13/08/889771308.db2.gz QUHCVZOFVSVQQZ-UNMCSNQZSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000923555464 889771314 /nfs/dbraw/zinc/77/13/14/889771314.db2.gz QUHCVZOFVSVQQZ-UNMCSNQZSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCc4ccccc43)C[C@H]2O)CC1 ZINC001078227109 898427553 /nfs/dbraw/zinc/42/75/53/898427553.db2.gz JKSHHVFZALEULD-NJDAHSKKSA-N 2 1 367.493 1.180 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ccc3C)C[C@H]2O)CC1 ZINC001078227421 898430832 /nfs/dbraw/zinc/43/08/32/898430832.db2.gz YZBAJCMGSHBMIC-NHCUHLMSSA-N 2 1 369.509 1.310 20 30 FDEDMP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079129900 901937941 /nfs/dbraw/zinc/93/79/41/901937941.db2.gz NCKZRNDBFWXIAO-XUVXKRRUSA-N 2 1 355.482 1.178 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129900 901937945 /nfs/dbraw/zinc/93/79/45/901937945.db2.gz NCKZRNDBFWXIAO-XUVXKRRUSA-N 2 1 355.482 1.178 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001079129900 901937947 /nfs/dbraw/zinc/93/79/47/901937947.db2.gz NCKZRNDBFWXIAO-XUVXKRRUSA-N 2 1 355.482 1.178 20 30 FDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079146992 901970759 /nfs/dbraw/zinc/97/07/59/901970759.db2.gz RAIGVYQHHXLKPI-XUVXKRRUSA-N 2 1 357.498 1.588 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079240991 902192000 /nfs/dbraw/zinc/19/20/00/902192000.db2.gz IWWPTBCVTZIDRF-IPMKNSEASA-N 2 1 359.514 1.432 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079256946 902287033 /nfs/dbraw/zinc/28/70/33/902287033.db2.gz NPYXBGMFLNPGGZ-GBESFXJTSA-N 2 1 361.530 1.986 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726497 903146011 /nfs/dbraw/zinc/14/60/11/903146011.db2.gz YWGNTOASGLZNQZ-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726497 903146017 /nfs/dbraw/zinc/14/60/17/903146017.db2.gz YWGNTOASGLZNQZ-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726497 903146018 /nfs/dbraw/zinc/14/60/18/903146018.db2.gz YWGNTOASGLZNQZ-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726497 903146026 /nfs/dbraw/zinc/14/60/26/903146026.db2.gz YWGNTOASGLZNQZ-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)O1 ZINC000996710930 904888011 /nfs/dbraw/zinc/88/80/11/904888011.db2.gz HLVKJUVJFHWVBH-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3cccc(C#N)c3)CC2)O1 ZINC000996710930 904888030 /nfs/dbraw/zinc/88/80/30/904888030.db2.gz HLVKJUVJFHWVBH-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107449667 904971204 /nfs/dbraw/zinc/97/12/04/904971204.db2.gz SRQZAWONJVTFFM-SQGPQFPESA-N 2 1 362.518 1.134 20 30 FDEDMP C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)CC1 ZINC000996775979 905350101 /nfs/dbraw/zinc/35/01/01/905350101.db2.gz KJTNAUYRNHAYHD-GHBBCFCZSA-N 2 1 362.562 1.948 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)COC[C@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552165 905552432 /nfs/dbraw/zinc/55/24/32/905552432.db2.gz HSMXDSUCSDRAKH-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3c[nH+]ccc3N(C)C)CCC[C@@H]12 ZINC001107608204 905953624 /nfs/dbraw/zinc/95/36/24/905953624.db2.gz GDOTXAPVEQNCQF-TZIWHRDSSA-N 2 1 370.497 1.772 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781085 906250409 /nfs/dbraw/zinc/25/04/09/906250409.db2.gz NENWCVYYYHTRSW-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080781085 906250428 /nfs/dbraw/zinc/25/04/28/906250428.db2.gz NENWCVYYYHTRSW-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080781085 906250448 /nfs/dbraw/zinc/25/04/48/906250448.db2.gz NENWCVYYYHTRSW-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080781085 906250465 /nfs/dbraw/zinc/25/04/65/906250465.db2.gz NENWCVYYYHTRSW-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080781171 906253235 /nfs/dbraw/zinc/25/32/35/906253235.db2.gz QJGILKZXGDOGHC-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001080781171 906253255 /nfs/dbraw/zinc/25/32/55/906253255.db2.gz QJGILKZXGDOGHC-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001080781171 906253273 /nfs/dbraw/zinc/25/32/73/906253273.db2.gz QJGILKZXGDOGHC-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001080781171 906253287 /nfs/dbraw/zinc/25/32/87/906253287.db2.gz QJGILKZXGDOGHC-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787690 906313681 /nfs/dbraw/zinc/31/36/81/906313681.db2.gz NZBJEBKWDIWMDA-RDTXWAMCSA-N 2 1 356.445 1.730 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787690 906313691 /nfs/dbraw/zinc/31/36/91/906313691.db2.gz NZBJEBKWDIWMDA-RDTXWAMCSA-N 2 1 356.445 1.730 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ncn3)C[C@H]2C)CC1 ZINC001080997380 906969983 /nfs/dbraw/zinc/96/99/83/906969983.db2.gz AYRKLRBPISSTFQ-DNVCBOLYSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ncn3)C[C@H]2C)CC1 ZINC001080997380 906969986 /nfs/dbraw/zinc/96/99/86/906969986.db2.gz AYRKLRBPISSTFQ-DNVCBOLYSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081125860 907307204 /nfs/dbraw/zinc/30/72/04/907307204.db2.gz UCGCOYQYXWHEFN-XUVXKRRUSA-N 2 1 365.481 1.031 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nsc2C)C1 ZINC001082567789 908702507 /nfs/dbraw/zinc/70/25/07/908702507.db2.gz BBQJXKNDVXTBCF-XWIAVFTESA-N 2 1 360.527 1.794 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nsc2C)C1 ZINC001082567789 908702515 /nfs/dbraw/zinc/70/25/15/908702515.db2.gz BBQJXKNDVXTBCF-XWIAVFTESA-N 2 1 360.527 1.794 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)onc2CC)C1 ZINC001082568115 908707486 /nfs/dbraw/zinc/70/74/86/908707486.db2.gz YMZUDDROJHLHDZ-ZMYBRWDISA-N 2 1 358.486 1.580 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)onc2CC)C1 ZINC001082568115 908707494 /nfs/dbraw/zinc/70/74/94/908707494.db2.gz YMZUDDROJHLHDZ-ZMYBRWDISA-N 2 1 358.486 1.580 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001082568895 908714880 /nfs/dbraw/zinc/71/48/80/908714880.db2.gz XIEIJSOIRSEBBB-LZQZEXGQSA-N 2 1 357.502 1.034 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001082568895 908714892 /nfs/dbraw/zinc/71/48/92/908714892.db2.gz XIEIJSOIRSEBBB-LZQZEXGQSA-N 2 1 357.502 1.034 20 30 FDEDMP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084661978 915954573 /nfs/dbraw/zinc/95/45/73/915954573.db2.gz QBFFTCBFQQPNKG-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084661978 915954580 /nfs/dbraw/zinc/95/45/80/915954580.db2.gz QBFFTCBFQQPNKG-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084661978 915954586 /nfs/dbraw/zinc/95/45/86/915954586.db2.gz QBFFTCBFQQPNKG-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084661978 915954592 /nfs/dbraw/zinc/95/45/92/915954592.db2.gz QBFFTCBFQQPNKG-PWIZWCRZSA-N 2 1 352.482 1.933 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085064767 920354895 /nfs/dbraw/zinc/35/48/95/920354895.db2.gz YCISKLDNYLPWFI-WBVHZDCISA-N 2 1 355.910 1.773 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC001085064767 920354914 /nfs/dbraw/zinc/35/49/14/920354914.db2.gz YCISKLDNYLPWFI-WBVHZDCISA-N 2 1 355.910 1.773 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccn4)[C@H]3C2)CC1 ZINC001085100426 920912988 /nfs/dbraw/zinc/91/29/88/920912988.db2.gz AZGRADCCVMVXFF-NQIIRXRSSA-N 2 1 366.509 1.850 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C[C@H]2CCN2Cc2ccc(C#N)cc2)O1 ZINC001085670620 925035949 /nfs/dbraw/zinc/03/59/49/925035949.db2.gz APAODQZRPMDMHE-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@@H+](C)CCC)C3)C1=O ZINC001110018078 931114577 /nfs/dbraw/zinc/11/45/77/931114577.db2.gz ZYUCOAZCPWETSQ-VSZNYVQBSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[N@H+](C)CCC)C3)C1=O ZINC001110018078 931114581 /nfs/dbraw/zinc/11/45/81/931114581.db2.gz ZYUCOAZCPWETSQ-VSZNYVQBSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C3)C1=O ZINC001110018078 931114585 /nfs/dbraw/zinc/11/45/85/931114585.db2.gz ZYUCOAZCPWETSQ-VSZNYVQBSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C3)C1=O ZINC001110018078 931114591 /nfs/dbraw/zinc/11/45/91/931114591.db2.gz ZYUCOAZCPWETSQ-VSZNYVQBSA-N 2 1 362.518 1.227 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001086625038 938508901 /nfs/dbraw/zinc/50/89/01/938508901.db2.gz HTNJFOBCDIVSMR-FCHUYYIVSA-N 2 1 363.505 1.939 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610265 939907698 /nfs/dbraw/zinc/90/76/98/939907698.db2.gz FJLKJRSZDRFGTC-JENIJYKNSA-N 2 1 357.502 1.202 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130611112 939908661 /nfs/dbraw/zinc/90/86/61/939908661.db2.gz YNNHLQIMVBHVMU-JENIJYKNSA-N 2 1 357.502 1.202 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130725764 940030593 /nfs/dbraw/zinc/03/05/93/940030593.db2.gz CZZVOSRIEQJUDX-FUHWJXTLSA-N 2 1 356.474 1.475 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131017791 940438562 /nfs/dbraw/zinc/43/85/62/940438562.db2.gz LUIHQZHSWNEAEF-KZNAEPCWSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131053852 940480670 /nfs/dbraw/zinc/48/06/70/940480670.db2.gz FAVLSQQSZZUDQZ-GUDVDZBRSA-N 2 1 371.529 1.449 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131054036 940480833 /nfs/dbraw/zinc/48/08/33/940480833.db2.gz OGDJBDIZKJDYLC-WNRNVDISSA-N 2 1 357.502 1.058 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001086664688 940551901 /nfs/dbraw/zinc/55/19/01/940551901.db2.gz AFJZZPAWDGATGY-VBQJREDUSA-N 2 1 362.499 1.325 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001086664688 940551902 /nfs/dbraw/zinc/55/19/02/940551902.db2.gz AFJZZPAWDGATGY-VBQJREDUSA-N 2 1 362.499 1.325 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001131461599 940619913 /nfs/dbraw/zinc/61/99/13/940619913.db2.gz RCVLLEZYEUPLTE-QRVBRYPASA-N 2 1 365.518 1.269 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461599 940619914 /nfs/dbraw/zinc/61/99/14/940619914.db2.gz RCVLLEZYEUPLTE-QRVBRYPASA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001195594489 971065841 /nfs/dbraw/zinc/06/58/41/971065841.db2.gz PDUAQKKTVABXQP-KZNAEPCWSA-N 2 1 353.507 1.003 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001195594489 971065850 /nfs/dbraw/zinc/06/58/50/971065850.db2.gz PDUAQKKTVABXQP-KZNAEPCWSA-N 2 1 353.507 1.003 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594489 971065856 /nfs/dbraw/zinc/06/58/56/971065856.db2.gz PDUAQKKTVABXQP-KZNAEPCWSA-N 2 1 353.507 1.003 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001195594489 971065865 /nfs/dbraw/zinc/06/58/65/971065865.db2.gz PDUAQKKTVABXQP-KZNAEPCWSA-N 2 1 353.507 1.003 20 30 FDEDMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592099 971239735 /nfs/dbraw/zinc/23/97/35/971239735.db2.gz FHSOCDHFUCIXMD-APWZRJJASA-N 2 1 373.501 1.747 20 30 FDEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592099 971239739 /nfs/dbraw/zinc/23/97/39/971239739.db2.gz FHSOCDHFUCIXMD-APWZRJJASA-N 2 1 373.501 1.747 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592099 971239745 /nfs/dbraw/zinc/23/97/45/971239745.db2.gz FHSOCDHFUCIXMD-APWZRJJASA-N 2 1 373.501 1.747 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592099 971239752 /nfs/dbraw/zinc/23/97/52/971239752.db2.gz FHSOCDHFUCIXMD-APWZRJJASA-N 2 1 373.501 1.747 20 30 FDEDMP C#Cc1ccc(C[N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc1 ZINC001144573429 949957082 /nfs/dbraw/zinc/95/70/82/949957082.db2.gz JLUZVVHWHIREHL-UHFFFAOYSA-N 2 1 361.493 1.811 20 30 FDEDMP C#Cc1ccc(C[N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)cc1 ZINC001144573429 949957084 /nfs/dbraw/zinc/95/70/84/949957084.db2.gz JLUZVVHWHIREHL-UHFFFAOYSA-N 2 1 361.493 1.811 20 30 FDEDMP C#CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091401030 951574429 /nfs/dbraw/zinc/57/44/29/951574429.db2.gz QVWHOYQVYSKRIH-ATZDWAIDSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401030 951574437 /nfs/dbraw/zinc/57/44/37/951574437.db2.gz QVWHOYQVYSKRIH-ATZDWAIDSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401030 951574446 /nfs/dbraw/zinc/57/44/46/951574446.db2.gz QVWHOYQVYSKRIH-ATZDWAIDSA-N 2 1 356.470 1.124 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086993065 953025469 /nfs/dbraw/zinc/02/54/69/953025469.db2.gz FNRPTLCEZDQCFL-NZSAHSFTSA-N 2 1 359.518 1.612 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cnn(C)c1 ZINC001086981707 953033513 /nfs/dbraw/zinc/03/35/13/953033513.db2.gz YYYWYVIFHZIISP-IPMKNSEASA-N 2 1 359.518 1.755 20 30 FDEDMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC001092203100 954528754 /nfs/dbraw/zinc/52/87/54/954528754.db2.gz CSOAZYIASSZKMZ-CTNGQTDRSA-N 2 1 364.493 1.934 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504657 955276923 /nfs/dbraw/zinc/27/69/23/955276923.db2.gz WANHWARFZFPRRT-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504657 955276930 /nfs/dbraw/zinc/27/69/30/955276930.db2.gz WANHWARFZFPRRT-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504657 955276932 /nfs/dbraw/zinc/27/69/32/955276932.db2.gz WANHWARFZFPRRT-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504730 955278105 /nfs/dbraw/zinc/27/81/05/955278105.db2.gz XWYFZZRSYHHVFF-POAQFYNOSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504730 955278109 /nfs/dbraw/zinc/27/81/09/955278109.db2.gz XWYFZZRSYHHVFF-POAQFYNOSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504730 955278114 /nfs/dbraw/zinc/27/81/14/955278114.db2.gz XWYFZZRSYHHVFF-POAQFYNOSA-N 2 1 370.497 1.867 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)nc2)C[C@H]1C ZINC001092690061 956199133 /nfs/dbraw/zinc/19/91/33/956199133.db2.gz YYSMPOBJYVGNMW-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)nc2)C[C@H]1C ZINC001092690061 956199140 /nfs/dbraw/zinc/19/91/40/956199140.db2.gz YYSMPOBJYVGNMW-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1C ZINC001092690061 956199144 /nfs/dbraw/zinc/19/91/44/956199144.db2.gz YYSMPOBJYVGNMW-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(OC)nc2)C[C@H]1C ZINC001092690061 956199149 /nfs/dbraw/zinc/19/91/49/956199149.db2.gz YYSMPOBJYVGNMW-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133014 957617352 /nfs/dbraw/zinc/61/73/52/957617352.db2.gz KXMOIYHZAFJMSH-VQIMIIECSA-N 2 1 352.482 1.838 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2C)CC1 ZINC001093223884 957852853 /nfs/dbraw/zinc/85/28/53/957852853.db2.gz IWNFCMJTLLYPGE-YLJYHZDGSA-N 2 1 361.530 1.442 20 30 FDEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001093400080 958037541 /nfs/dbraw/zinc/03/75/41/958037541.db2.gz FBDVKPOFJXYUGS-BOHSKOPMSA-N 2 1 365.518 1.411 20 30 FDEDMP C=C(C)C[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001093400080 958037554 /nfs/dbraw/zinc/03/75/54/958037554.db2.gz FBDVKPOFJXYUGS-BOHSKOPMSA-N 2 1 365.518 1.411 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001093673251 958516668 /nfs/dbraw/zinc/51/66/68/958516668.db2.gz NICVGAMOUMNFSI-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094219468 960037821 /nfs/dbraw/zinc/03/78/21/960037821.db2.gz LTHOXFFJICXNRB-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C#CC[N@@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@@H]12 ZINC001094512669 960698932 /nfs/dbraw/zinc/69/89/32/960698932.db2.gz SQCPTAAKFHTWNN-UYAOXDASSA-N 2 1 356.470 1.878 20 30 FDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)c3cc(C[NH+]4CCCC4)on3)CCC[C@@H]12 ZINC001094512669 960698942 /nfs/dbraw/zinc/69/89/42/960698942.db2.gz SQCPTAAKFHTWNN-UYAOXDASSA-N 2 1 356.470 1.878 20 30 FDEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527402 964277923 /nfs/dbraw/zinc/27/79/23/964277923.db2.gz KVFBGLKIIQRESO-OKZBNKHCSA-N 2 1 364.534 1.121 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326240 965190914 /nfs/dbraw/zinc/19/09/14/965190914.db2.gz KKRJFEMCRNFJDK-OKZBNKHCSA-N 2 1 362.518 1.038 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326240 965190926 /nfs/dbraw/zinc/19/09/26/965190926.db2.gz KKRJFEMCRNFJDK-OKZBNKHCSA-N 2 1 362.518 1.038 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187326240 965190934 /nfs/dbraw/zinc/19/09/34/965190934.db2.gz KKRJFEMCRNFJDK-OKZBNKHCSA-N 2 1 362.518 1.038 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187326240 965190943 /nfs/dbraw/zinc/19/09/43/965190943.db2.gz KKRJFEMCRNFJDK-OKZBNKHCSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194603987 970272133 /nfs/dbraw/zinc/27/21/33/970272133.db2.gz OTILTYZYYNMBGE-RTBURBONSA-N 2 1 369.469 1.789 20 30 FDEDMP C[N@@H+](CCCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000849116839 977329615 /nfs/dbraw/zinc/32/96/15/977329615.db2.gz YLKQOYFQEOCANQ-MRXNPFEDSA-N 2 1 365.522 1.741 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@@H+](Cc3ccc(F)cc3)CC1)C2 ZINC000884182894 982958845 /nfs/dbraw/zinc/95/88/45/982958845.db2.gz XERPLIRGHRKNPB-IDYZSHNDSA-N 2 1 370.472 1.999 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@H+](Cc3ccc(F)cc3)CC1)C2 ZINC000884182894 982958847 /nfs/dbraw/zinc/95/88/47/982958847.db2.gz XERPLIRGHRKNPB-IDYZSHNDSA-N 2 1 370.472 1.999 20 30 FDEDMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884406167 983141393 /nfs/dbraw/zinc/14/13/93/983141393.db2.gz NHWZIDQIKCQLRL-QHCGNWPDSA-N 2 1 366.509 1.901 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000363706415 989401209 /nfs/dbraw/zinc/40/12/09/989401209.db2.gz NEIGDAAHXOYMOY-NSISKUIASA-N 2 1 370.497 1.653 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000363706415 989401229 /nfs/dbraw/zinc/40/12/29/989401229.db2.gz NEIGDAAHXOYMOY-NSISKUIASA-N 2 1 370.497 1.653 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000370569631 989848196 /nfs/dbraw/zinc/84/81/96/989848196.db2.gz PHTJSUYHTZLMOQ-RBUKOAKNSA-N 2 1 364.534 1.970 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000876735677 992850929 /nfs/dbraw/zinc/85/09/29/992850929.db2.gz BEHJTJURNBPJTF-YOEHRIQHSA-N 2 1 351.878 1.993 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000876735677 992850941 /nfs/dbraw/zinc/85/09/41/992850941.db2.gz BEHJTJURNBPJTF-YOEHRIQHSA-N 2 1 351.878 1.993 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876772278 992895264 /nfs/dbraw/zinc/89/52/64/992895264.db2.gz KSIPARONRYGTFP-XIRDDKMYSA-N 2 1 351.878 1.862 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876772278 992895272 /nfs/dbraw/zinc/89/52/72/992895272.db2.gz KSIPARONRYGTFP-XIRDDKMYSA-N 2 1 351.878 1.862 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000876779998 992905404 /nfs/dbraw/zinc/90/54/04/992905404.db2.gz AKDNJBCRZBHHEB-NVXWUHKLSA-N 2 1 350.894 1.783 20 30 FDEDMP C#CCN1C(=O)C[C@H]([N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000887305887 997137221 /nfs/dbraw/zinc/13/72/21/997137221.db2.gz CGUWLWAAJGYJJJ-OTWHNJEPSA-N 2 1 351.450 1.201 20 30 FDEDMP C#CCN1C(=O)C[C@H]([NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1=O ZINC000887305887 997137230 /nfs/dbraw/zinc/13/72/30/997137230.db2.gz CGUWLWAAJGYJJJ-OTWHNJEPSA-N 2 1 351.450 1.201 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000890377466 998921425 /nfs/dbraw/zinc/92/14/25/998921425.db2.gz LSIUCVUEEORZNS-HXUWFJFHSA-N 2 1 367.497 1.729 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000890377466 998921427 /nfs/dbraw/zinc/92/14/27/998921427.db2.gz LSIUCVUEEORZNS-HXUWFJFHSA-N 2 1 367.497 1.729 20 30 FDEDMP C[NH+]1CCC([C@@H]2CC[N@H+]([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000270032258 999502442 /nfs/dbraw/zinc/50/24/42/999502442.db2.gz DRAWZFAQYIRRPA-IEBWSBKVSA-N 2 1 366.465 1.854 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCN(c2ccccc2F)C1 ZINC000291026025 1000166582 /nfs/dbraw/zinc/16/65/82/1000166582.db2.gz WPYSELQORJPDEX-INIZCTEOSA-N 2 1 363.481 1.279 20 30 FDEDMP C#Cc1ccc(NC(=O)CC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000929979494 1002694176 /nfs/dbraw/zinc/69/41/76/1002694176.db2.gz FICLDNRBHBQCCV-FQEVSTJZSA-N 2 1 354.498 1.708 20 30 FDEDMP C[NH+](C)CC#CCNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000932422729 1004950749 /nfs/dbraw/zinc/95/07/49/1004950749.db2.gz YOTWJVILSFISRO-LJQANCHMSA-N 2 1 355.486 1.658 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111037174 1005087570 /nfs/dbraw/zinc/08/75/70/1005087570.db2.gz OAXXSCFIZJSCPO-BDXSIMOUSA-N 2 1 362.518 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001111037174 1005087573 /nfs/dbraw/zinc/08/75/73/1005087573.db2.gz OAXXSCFIZJSCPO-BDXSIMOUSA-N 2 1 362.518 1.249 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC#N)C(F)(F)F ZINC000932916735 1005243118 /nfs/dbraw/zinc/24/31/18/1005243118.db2.gz VHZKNEYQFDTFSR-KGLIPLIRSA-N 2 1 363.428 1.888 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccc(C(F)(F)F)cc1 ZINC000303897362 1009681583 /nfs/dbraw/zinc/68/15/83/1009681583.db2.gz UYZJZIDSVVOFDK-UHFFFAOYSA-N 2 1 374.407 1.711 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528388992 539755405 /nfs/dbraw/zinc/75/54/05/539755405.db2.gz KJSAFZCUMUAXSL-WOJBJXKFSA-N 2 1 372.513 1.398 20 30 FDEDMP C[C@@H]1COCC[N@@H+]1C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528511881 539764289 /nfs/dbraw/zinc/76/42/89/539764289.db2.gz WQKGKFPDBVMHEV-APWZRJJASA-N 2 1 359.470 1.483 20 30 FDEDMP C[C@@H]1COCC[N@H+]1C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528511881 539764294 /nfs/dbraw/zinc/76/42/94/539764294.db2.gz WQKGKFPDBVMHEV-APWZRJJASA-N 2 1 359.470 1.483 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536933197 540661785 /nfs/dbraw/zinc/66/17/85/540661785.db2.gz NILMWOVFPCSWHZ-ZACQAIPSSA-N 2 1 353.507 1.267 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000553361798 543619146 /nfs/dbraw/zinc/61/91/46/543619146.db2.gz RVAZJUFTNMPCEZ-QGZVFWFLSA-N 2 1 362.518 1.276 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000371295542 260686309 /nfs/dbraw/zinc/68/63/09/260686309.db2.gz SHBNRVXUKNEYJE-HNBVOPMISA-N 2 1 359.470 1.481 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000371295542 260686310 /nfs/dbraw/zinc/68/63/10/260686310.db2.gz SHBNRVXUKNEYJE-HNBVOPMISA-N 2 1 359.470 1.481 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301443 260687882 /nfs/dbraw/zinc/68/78/82/260687882.db2.gz FVFYAEVYCUQTMB-XLIONFOSSA-N 2 1 369.513 1.845 20 30 FDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091632259 524750297 /nfs/dbraw/zinc/75/02/97/524750297.db2.gz OJGFBMAHJLIFPF-SFHVURJKSA-N 2 1 360.506 1.206 20 30 FDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 ZINC000091632259 524750308 /nfs/dbraw/zinc/75/03/08/524750308.db2.gz OJGFBMAHJLIFPF-SFHVURJKSA-N 2 1 360.506 1.206 20 30 FDEDMP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCC#N ZINC000167079150 525596600 /nfs/dbraw/zinc/59/66/00/525596600.db2.gz BORNBDHACQRQRF-ROUUACIJSA-N 2 1 370.563 1.889 20 30 FDEDMP CN(C1CC[NH+](C)CC1)[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)CCCC#N ZINC000167079150 525596612 /nfs/dbraw/zinc/59/66/12/525596612.db2.gz BORNBDHACQRQRF-ROUUACIJSA-N 2 1 370.563 1.889 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000109025722 526061128 /nfs/dbraw/zinc/06/11/28/526061128.db2.gz KMSNTPXQVBPQOO-MRXNPFEDSA-N 2 1 361.515 1.660 20 30 FDEDMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+]1CCSCC1 ZINC000329177090 537636045 /nfs/dbraw/zinc/63/60/45/537636045.db2.gz CCJYNSRWBBRRRU-HNSVSWJLSA-N 2 1 368.547 1.464 20 30 FDEDMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+]1CCSCC1 ZINC000329177090 537636049 /nfs/dbraw/zinc/63/60/49/537636049.db2.gz CCJYNSRWBBRRRU-HNSVSWJLSA-N 2 1 368.547 1.464 20 30 FDEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000569450051 548921263 /nfs/dbraw/zinc/92/12/63/548921263.db2.gz YCPBCMIWJXPZMX-LJQANCHMSA-N 2 1 361.530 1.770 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000570562201 549325867 /nfs/dbraw/zinc/32/58/67/549325867.db2.gz SAJWDGCEIGLWPR-GGPKGHCWSA-N 2 1 363.550 1.530 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)CC1 ZINC000570562201 549325868 /nfs/dbraw/zinc/32/58/68/549325868.db2.gz SAJWDGCEIGLWPR-GGPKGHCWSA-N 2 1 363.550 1.530 20 30 FDEDMP N#CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000583022472 551292592 /nfs/dbraw/zinc/29/25/92/551292592.db2.gz NFZDRHGBPSJUKC-LJQANCHMSA-N 2 1 357.502 1.332 20 30 FDEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148918 551949641 /nfs/dbraw/zinc/94/96/41/551949641.db2.gz FFGQCGJWVDDDEL-DYESRHJHSA-N 2 1 370.497 1.506 20 30 FDEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148918 551949642 /nfs/dbraw/zinc/94/96/42/551949642.db2.gz FFGQCGJWVDDDEL-DYESRHJHSA-N 2 1 370.497 1.506 20 30 FDEDMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594440686 552310901 /nfs/dbraw/zinc/31/09/01/552310901.db2.gz HTUIOGTVKBXEOH-GOSISDBHSA-N 2 1 371.485 1.353 20 30 FDEDMP CC(C)C[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000595513048 552576295 /nfs/dbraw/zinc/57/62/95/552576295.db2.gz RRMJFLOJVJFOEC-UHFFFAOYSA-N 2 1 358.486 1.959 20 30 FDEDMP C[C@H]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599942224 553180387 /nfs/dbraw/zinc/18/03/87/553180387.db2.gz XJSHCLTZAWDTRI-LPHOPBHVSA-N 2 1 355.486 1.916 20 30 FDEDMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000602630246 553614443 /nfs/dbraw/zinc/61/44/43/553614443.db2.gz LVPPLLVDMCZDEJ-IBGZPJMESA-N 2 1 370.497 1.484 20 30 FDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000609672684 554410095 /nfs/dbraw/zinc/41/00/95/554410095.db2.gz KDKLUPXXIZPEDT-IBGZPJMESA-N 2 1 355.486 1.599 20 30 FDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000609672684 554410096 /nfs/dbraw/zinc/41/00/96/554410096.db2.gz KDKLUPXXIZPEDT-IBGZPJMESA-N 2 1 355.486 1.599 20 30 FDEDMP CCC[N@@H+](CC)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120826 671491952 /nfs/dbraw/zinc/49/19/52/671491952.db2.gz ASWUSUOTKZJGSU-OAHLLOKOSA-N 2 1 353.511 1.599 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000104168002 671594623 /nfs/dbraw/zinc/59/46/23/671594623.db2.gz YCQSBHCIXCFQRP-GJZGRUSLSA-N 2 1 353.511 1.632 20 30 FDEDMP CC[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)N1CCS[C@H](C(C)C)C1 ZINC000179073674 672154226 /nfs/dbraw/zinc/15/42/26/672154226.db2.gz FGZPJBGVLIUQRT-INIZCTEOSA-N 2 1 369.579 1.189 20 30 FDEDMP C[NH+]=C(NC[C@H]1CCC[N@@H+](CC(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261943292 672698897 /nfs/dbraw/zinc/69/88/97/672698897.db2.gz FCKJGWNZGVATJD-MRXNPFEDSA-N 2 1 372.579 1.439 20 30 FDEDMP CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262442728 672790462 /nfs/dbraw/zinc/79/04/62/672790462.db2.gz UWNDSBCFRQTCEH-IRXDYDNUSA-N 2 1 370.563 1.337 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N(C)Cc1ccc2c(c1)OCO2 ZINC000262789317 672849799 /nfs/dbraw/zinc/84/97/99/672849799.db2.gz NPXJGZLMMJOBFK-GOSISDBHSA-N 2 1 364.515 1.860 20 30 FDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262790073 672850191 /nfs/dbraw/zinc/85/01/91/672850191.db2.gz NSCZWERXRVLXCO-AEFFLSMTSA-N 2 1 352.523 1.157 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(OC)cc(OC)cc1OC ZINC000264063947 672899768 /nfs/dbraw/zinc/89/97/68/672899768.db2.gz ALORXQFMBMPTFP-ZDUSSCGKSA-N 2 1 350.463 1.601 20 30 FDEDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329776421 676655063 /nfs/dbraw/zinc/65/50/63/676655063.db2.gz OCIOQPNUPOLPIC-SJORKVTESA-N 2 1 352.523 1.864 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000370568378 677592680 /nfs/dbraw/zinc/59/26/80/677592680.db2.gz IFYAROPYSFCLPC-MSOLQXFVSA-N 2 1 350.507 1.579 20 30 FDEDMP CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000409591212 678865258 /nfs/dbraw/zinc/86/52/58/678865258.db2.gz IYMRUCQABVTCSQ-SJORKVTESA-N 2 1 373.567 1.061 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)O1 ZINC001022276837 779087898 /nfs/dbraw/zinc/08/78/98/779087898.db2.gz RCNGLOAVAZIDGD-GMLZMKKNSA-N 2 1 360.433 1.153 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C#N)ccc3F)C2)O1 ZINC001022276837 779087906 /nfs/dbraw/zinc/08/79/06/779087906.db2.gz RCNGLOAVAZIDGD-GMLZMKKNSA-N 2 1 360.433 1.153 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001026916139 800173661 /nfs/dbraw/zinc/17/36/61/800173661.db2.gz BEFVXBBTSPEFEV-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001026916139 800173663 /nfs/dbraw/zinc/17/36/63/800173663.db2.gz BEFVXBBTSPEFEV-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C=CC[C@]1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662709897 802827442 /nfs/dbraw/zinc/82/74/42/802827442.db2.gz UQCRAUQCJWKTRX-OAQYLSRUSA-N 2 1 370.497 1.145 20 30 FDEDMP C=CC[C@]1(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000662757722 803073372 /nfs/dbraw/zinc/07/33/72/803073372.db2.gz LSBJRJBCTGDZCF-OAQYLSRUSA-N 2 1 356.514 1.749 20 30 FDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978184349 805282876 /nfs/dbraw/zinc/28/28/76/805282876.db2.gz VIBNJBKAPHLAJW-UEDWAMCQSA-N 2 1 359.514 1.051 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211723047 809310660 /nfs/dbraw/zinc/31/06/60/809310660.db2.gz ODUXYQDJSJHRPV-VQTJNVASSA-N 2 1 366.465 1.426 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261950657 811351412 /nfs/dbraw/zinc/35/14/12/811351412.db2.gz HFULITKRKZSQSN-VQIMIIECSA-N 2 1 371.529 1.465 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N1CCO[C@H](COC)C1 ZINC000261951901 811351919 /nfs/dbraw/zinc/35/19/19/811351919.db2.gz OBJBVUIYQVZQLD-SFHVURJKSA-N 2 1 360.502 1.008 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000984016243 820547300 /nfs/dbraw/zinc/54/73/00/820547300.db2.gz UVFXUYVHMGDWBN-VMUDFCTBSA-N 2 1 362.499 1.323 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000984016243 820547304 /nfs/dbraw/zinc/54/73/04/820547304.db2.gz UVFXUYVHMGDWBN-VMUDFCTBSA-N 2 1 362.499 1.323 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC[NH+]1C ZINC000329020566 824534885 /nfs/dbraw/zinc/53/48/85/824534885.db2.gz HSQIULRNWAZKSL-MJQMVNBJSA-N 2 1 374.533 1.933 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CCC[N@@H+]1C ZINC000329020566 824534889 /nfs/dbraw/zinc/53/48/89/824534889.db2.gz HSQIULRNWAZKSL-MJQMVNBJSA-N 2 1 374.533 1.933 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CCC[N@H+]1C ZINC000329020566 824534894 /nfs/dbraw/zinc/53/48/94/824534894.db2.gz HSQIULRNWAZKSL-MJQMVNBJSA-N 2 1 374.533 1.933 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199378 827430498 /nfs/dbraw/zinc/43/04/98/827430498.db2.gz LRYYEFDCVFMJPQ-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199378 827430503 /nfs/dbraw/zinc/43/05/03/827430503.db2.gz LRYYEFDCVFMJPQ-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199378 827430506 /nfs/dbraw/zinc/43/05/06/827430506.db2.gz LRYYEFDCVFMJPQ-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CCC[NH+]1CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000272050314 838427320 /nfs/dbraw/zinc/42/73/20/838427320.db2.gz UGAJXZOAUUNQEV-CTNGQTDRSA-N 2 1 368.525 1.407 20 30 FDEDMP C#CCC[NH+]1CCN([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272050314 838427326 /nfs/dbraw/zinc/42/73/26/838427326.db2.gz UGAJXZOAUUNQEV-CTNGQTDRSA-N 2 1 368.525 1.407 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642099 842302893 /nfs/dbraw/zinc/30/28/93/842302893.db2.gz HQNHDZKINYJOFP-DCXXXQMHSA-N 2 1 363.546 1.706 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668695 843830436 /nfs/dbraw/zinc/83/04/36/843830436.db2.gz MARUNIBXVUWWNT-IZBJGVDFSA-N 2 1 351.535 1.870 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668696 843830882 /nfs/dbraw/zinc/83/08/82/843830882.db2.gz MARUNIBXVUWWNT-JYBIWHBTSA-N 2 1 351.535 1.870 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076594809 848520576 /nfs/dbraw/zinc/52/05/76/848520576.db2.gz SPSVUMDJBVIEAP-ZCNNSNEGSA-N 2 1 368.481 1.312 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076594809 848520577 /nfs/dbraw/zinc/52/05/77/848520577.db2.gz SPSVUMDJBVIEAP-ZCNNSNEGSA-N 2 1 368.481 1.312 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076594809 848520578 /nfs/dbraw/zinc/52/05/78/848520578.db2.gz SPSVUMDJBVIEAP-ZCNNSNEGSA-N 2 1 368.481 1.312 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076594809 848520580 /nfs/dbraw/zinc/52/05/80/848520580.db2.gz SPSVUMDJBVIEAP-ZCNNSNEGSA-N 2 1 368.481 1.312 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnc(C)o4)C[C@H]32)CC1 ZINC001076605655 848555738 /nfs/dbraw/zinc/55/57/38/848555738.db2.gz LWBFFTPXVVPARK-PKOBYXMFSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnc(C)o4)C[C@H]32)CC1 ZINC001076605655 848555742 /nfs/dbraw/zinc/55/57/42/848555742.db2.gz LWBFFTPXVVPARK-PKOBYXMFSA-N 2 1 356.470 1.361 20 30 FDEDMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077128710 849842013 /nfs/dbraw/zinc/84/20/13/849842013.db2.gz BIAOSHGDEZLFQX-VAMGGRTRSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077128710 849842029 /nfs/dbraw/zinc/84/20/29/849842029.db2.gz BIAOSHGDEZLFQX-VAMGGRTRSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077128710 849842042 /nfs/dbraw/zinc/84/20/42/849842042.db2.gz BIAOSHGDEZLFQX-VAMGGRTRSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077128710 849842053 /nfs/dbraw/zinc/84/20/53/849842053.db2.gz BIAOSHGDEZLFQX-VAMGGRTRSA-N 2 1 370.497 1.197 20 30 FDEDMP C[N@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000911921423 859110860 /nfs/dbraw/zinc/11/08/60/859110860.db2.gz IUXAXHPQRUELHA-OAQYLSRUSA-N 2 1 370.497 1.486 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]([C@H](C)CC)CC1 ZINC000669032785 860835434 /nfs/dbraw/zinc/83/54/34/860835434.db2.gz VWUGSTIUKIVUSG-KURKYZTESA-N 2 1 374.533 1.920 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3C)[C@@H]2C)CC1 ZINC001089059999 866391156 /nfs/dbraw/zinc/39/11/56/866391156.db2.gz MTDFWQZGAOIQQS-XLIONFOSSA-N 2 1 354.498 1.814 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106590887 876057019 /nfs/dbraw/zinc/05/70/19/876057019.db2.gz CYKIFINKDOARQK-BPQIPLTHSA-N 2 1 358.486 1.088 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106730750 877225911 /nfs/dbraw/zinc/22/59/11/877225911.db2.gz NQUSAKHKOPNLFT-KZNAEPCWSA-N 2 1 364.534 1.236 20 30 FDEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516927 886109964 /nfs/dbraw/zinc/10/99/64/886109964.db2.gz MWKUHRSAAAENHS-ZCNNSNEGSA-N 2 1 355.482 1.172 20 30 FDEDMP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516927 886109972 /nfs/dbraw/zinc/10/99/72/886109972.db2.gz MWKUHRSAAAENHS-ZCNNSNEGSA-N 2 1 355.482 1.172 20 30 FDEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516927 886109980 /nfs/dbraw/zinc/10/99/80/886109980.db2.gz MWKUHRSAAAENHS-ZCNNSNEGSA-N 2 1 355.482 1.172 20 30 FDEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516927 886109984 /nfs/dbraw/zinc/10/99/84/886109984.db2.gz MWKUHRSAAAENHS-ZCNNSNEGSA-N 2 1 355.482 1.172 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000923393346 889104637 /nfs/dbraw/zinc/10/46/37/889104637.db2.gz PACDVOYSKJEGAU-CUDHKJQZSA-N 2 1 359.470 1.659 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000923402560 889141954 /nfs/dbraw/zinc/14/19/54/889141954.db2.gz YEKIHBFBRPJETH-KFWWJZLASA-N 2 1 357.376 1.757 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000923402560 889141957 /nfs/dbraw/zinc/14/19/57/889141957.db2.gz YEKIHBFBRPJETH-KFWWJZLASA-N 2 1 357.376 1.757 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106980842 897430807 /nfs/dbraw/zinc/43/08/07/897430807.db2.gz BZBLUHCCIACJHJ-BHIYHBOVSA-N 2 1 357.473 1.813 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC001001534261 899015051 /nfs/dbraw/zinc/01/50/51/899015051.db2.gz VRKDHPPAXJKXMU-OXQOHEQNSA-N 2 1 370.497 1.606 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC[NH+](Cc3cccc(C#N)c3)CC2)O1 ZINC001001534261 899015064 /nfs/dbraw/zinc/01/50/64/899015064.db2.gz VRKDHPPAXJKXMU-OXQOHEQNSA-N 2 1 370.497 1.606 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083141199 901879089 /nfs/dbraw/zinc/87/90/89/901879089.db2.gz GMWUAWLYLUFZAQ-INIZCTEOSA-N 2 1 355.486 1.368 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCCc2ccccc21)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083141199 901879093 /nfs/dbraw/zinc/87/90/93/901879093.db2.gz GMWUAWLYLUFZAQ-INIZCTEOSA-N 2 1 355.486 1.368 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146389 901965567 /nfs/dbraw/zinc/96/55/67/901965567.db2.gz IVWPPXUCNHCXJG-WOJBJXKFSA-N 2 1 367.493 1.179 20 30 FDEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146389 901965569 /nfs/dbraw/zinc/96/55/69/901965569.db2.gz IVWPPXUCNHCXJG-WOJBJXKFSA-N 2 1 367.493 1.179 20 30 FDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001079138157 902018388 /nfs/dbraw/zinc/01/83/88/902018388.db2.gz QPPNVRRSSKITQU-WOJBJXKFSA-N 2 1 369.509 1.875 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001079138157 902018393 /nfs/dbraw/zinc/01/83/93/902018393.db2.gz QPPNVRRSSKITQU-WOJBJXKFSA-N 2 1 369.509 1.875 20 30 FDEDMP C=CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259707 902296152 /nfs/dbraw/zinc/29/61/52/902296152.db2.gz PKWRZCZCZXGREO-ZWKOTPCHSA-N 2 1 361.530 1.844 20 30 FDEDMP C=C(C)CN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000996774818 905280255 /nfs/dbraw/zinc/28/02/55/905280255.db2.gz AGZGGGPREBYCBY-YNIZLOQISA-N 2 1 362.562 1.948 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1C#N ZINC001080447028 905451890 /nfs/dbraw/zinc/45/18/90/905451890.db2.gz VAJQXKFRLNXAKV-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CC[C@H](C)C3)C2)cc1C#N ZINC001080447028 905451896 /nfs/dbraw/zinc/45/18/96/905451896.db2.gz VAJQXKFRLNXAKV-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)C2)cc1C#N ZINC001080447028 905451901 /nfs/dbraw/zinc/45/19/01/905451901.db2.gz VAJQXKFRLNXAKV-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)cc1C#N ZINC001080447028 905451914 /nfs/dbraw/zinc/45/19/14/905451914.db2.gz VAJQXKFRLNXAKV-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080935478 906726625 /nfs/dbraw/zinc/72/66/25/906726625.db2.gz WMWNBGCITJBXCU-QGPMSJSTSA-N 2 1 356.470 1.455 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001080935478 906726641 /nfs/dbraw/zinc/72/66/41/906726641.db2.gz WMWNBGCITJBXCU-QGPMSJSTSA-N 2 1 356.470 1.455 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080935478 906726655 /nfs/dbraw/zinc/72/66/55/906726655.db2.gz WMWNBGCITJBXCU-QGPMSJSTSA-N 2 1 356.470 1.455 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080935478 906726671 /nfs/dbraw/zinc/72/66/71/906726671.db2.gz WMWNBGCITJBXCU-QGPMSJSTSA-N 2 1 356.470 1.455 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080979358 906846258 /nfs/dbraw/zinc/84/62/58/906846258.db2.gz MJYCNYCXAQSNQL-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080979358 906846272 /nfs/dbraw/zinc/84/62/72/906846272.db2.gz MJYCNYCXAQSNQL-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080979358 906846280 /nfs/dbraw/zinc/84/62/80/906846280.db2.gz MJYCNYCXAQSNQL-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080979358 906846297 /nfs/dbraw/zinc/84/62/97/906846297.db2.gz MJYCNYCXAQSNQL-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3)C[C@H]2C)CC1 ZINC001080997876 906974375 /nfs/dbraw/zinc/97/43/75/906974375.db2.gz NLUGJCRZLSPMTE-DUXKGJEZSA-N 2 1 369.509 1.502 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]2OC)CC1 ZINC001082383294 907376281 /nfs/dbraw/zinc/37/62/81/907376281.db2.gz QFVXHSFKLPHOOA-IOMROCGXSA-N 2 1 369.509 1.908 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2OC)CC1 ZINC001082384279 907388948 /nfs/dbraw/zinc/38/89/48/907388948.db2.gz NEJLZOPVNFVRIP-WOJBJXKFSA-N 2 1 370.497 1.051 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2OC)CC1 ZINC001082384279 907388961 /nfs/dbraw/zinc/38/89/61/907388961.db2.gz NEJLZOPVNFVRIP-WOJBJXKFSA-N 2 1 370.497 1.051 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001082567938 908704311 /nfs/dbraw/zinc/70/43/11/908704311.db2.gz MLOTVBQMPWWWCH-NXHRZFHOSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001082567938 908704322 /nfs/dbraw/zinc/70/43/22/908704322.db2.gz MLOTVBQMPWWWCH-NXHRZFHOSA-N 2 1 356.470 1.124 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082702945 909626276 /nfs/dbraw/zinc/62/62/76/909626276.db2.gz QELGWHVJGXBTNW-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082702945 909626277 /nfs/dbraw/zinc/62/62/77/909626277.db2.gz QELGWHVJGXBTNW-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3ncccn3)C2)CC1 ZINC001082940989 911015959 /nfs/dbraw/zinc/01/59/59/911015959.db2.gz HCHYEHXYBOLFFT-SOLBZPMBSA-N 2 1 355.486 1.319 20 30 FDEDMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1 ZINC001084629035 915748705 /nfs/dbraw/zinc/74/87/05/915748705.db2.gz AVAXNYWXJKTNMI-WOJBJXKFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1 ZINC001085159561 921882481 /nfs/dbraw/zinc/88/24/81/921882481.db2.gz ZGKFYPOXIMILCZ-ZACQAIPSSA-N 2 1 362.499 1.467 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)s2)C1 ZINC001085159561 921882490 /nfs/dbraw/zinc/88/24/90/921882490.db2.gz ZGKFYPOXIMILCZ-ZACQAIPSSA-N 2 1 362.499 1.467 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370481 929359069 /nfs/dbraw/zinc/35/90/69/929359069.db2.gz XAVXBOYOOYLFOL-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370481 929359086 /nfs/dbraw/zinc/35/90/86/929359086.db2.gz XAVXBOYOOYLFOL-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370481 929359097 /nfs/dbraw/zinc/35/90/97/929359097.db2.gz XAVXBOYOOYLFOL-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001109670001 930101276 /nfs/dbraw/zinc/10/12/76/930101276.db2.gz DXQPAFKPMKXWJL-NEWSRXKRSA-N 2 1 356.470 1.762 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@@H]1n1ccnn1 ZINC001130104903 938685326 /nfs/dbraw/zinc/68/53/26/938685326.db2.gz AKPJXSRMWCCSOT-AOIWGVFYSA-N 2 1 358.490 1.072 20 30 FDEDMP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001130305271 938803674 /nfs/dbraw/zinc/80/36/74/938803674.db2.gz QMHQINMRDZZJLF-XLIONFOSSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672354 939971544 /nfs/dbraw/zinc/97/15/44/939971544.db2.gz OIBRTAMPNRECRO-JENIJYKNSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687579 939977101 /nfs/dbraw/zinc/97/71/01/939977101.db2.gz HASSQROURBBHAS-DFQSSKMNSA-N 2 1 371.529 1.590 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003482 940429664 /nfs/dbraw/zinc/42/96/64/940429664.db2.gz GNRWXWCSBAIXEA-KURKYZTESA-N 2 1 359.518 1.755 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCC)C1 ZINC001131010294 940441263 /nfs/dbraw/zinc/44/12/63/940441263.db2.gz IDRDGGVROXHBFS-KURKYZTESA-N 2 1 357.502 1.202 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCC)C1 ZINC001131010294 940441265 /nfs/dbraw/zinc/44/12/65/940441265.db2.gz IDRDGGVROXHBFS-KURKYZTESA-N 2 1 357.502 1.202 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001131316749 940551047 /nfs/dbraw/zinc/55/10/47/940551047.db2.gz ULPIWZQMUJCPME-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001131316749 940551048 /nfs/dbraw/zinc/55/10/48/940551048.db2.gz ULPIWZQMUJCPME-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316749 940551050 /nfs/dbraw/zinc/55/10/50/940551050.db2.gz ULPIWZQMUJCPME-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316749 940551051 /nfs/dbraw/zinc/55/10/51/940551051.db2.gz ULPIWZQMUJCPME-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001131609012 940789099 /nfs/dbraw/zinc/78/90/99/940789099.db2.gz UZVHOVORIHJYJL-AABGKKOBSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001086721209 941644695 /nfs/dbraw/zinc/64/46/95/941644695.db2.gz LNRJRDFVDFPMGY-SCTDSRPQSA-N 2 1 355.486 1.257 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC001086721209 941644697 /nfs/dbraw/zinc/64/46/97/941644697.db2.gz LNRJRDFVDFPMGY-SCTDSRPQSA-N 2 1 355.486 1.257 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000815652675 941933692 /nfs/dbraw/zinc/93/36/92/941933692.db2.gz MVFUJEOEXSGVEW-GVDBMIGSSA-N 2 1 353.507 1.849 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000815652675 941933693 /nfs/dbraw/zinc/93/36/93/941933693.db2.gz MVFUJEOEXSGVEW-GVDBMIGSSA-N 2 1 353.507 1.849 20 30 FDEDMP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000819060835 943400190 /nfs/dbraw/zinc/40/01/90/943400190.db2.gz IOORQHIHVDZRES-TZIWHRDSSA-N 2 1 373.497 1.725 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090884161 947636135 /nfs/dbraw/zinc/63/61/35/947636135.db2.gz AKUMCTJBWPCCMS-LSTHTHJFSA-N 2 1 355.482 1.554 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090884160 947636410 /nfs/dbraw/zinc/63/64/10/947636410.db2.gz AKUMCTJBWPCCMS-FFZOFVMBSA-N 2 1 355.482 1.554 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001091565613 952091809 /nfs/dbraw/zinc/09/18/09/952091809.db2.gz SMXUKQMLFGFEOZ-DYXWJJEUSA-N 2 1 368.481 1.169 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001091565613 952091821 /nfs/dbraw/zinc/09/18/21/952091821.db2.gz SMXUKQMLFGFEOZ-DYXWJJEUSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001091565613 952091829 /nfs/dbraw/zinc/09/18/29/952091829.db2.gz SMXUKQMLFGFEOZ-DYXWJJEUSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001091565613 952091835 /nfs/dbraw/zinc/09/18/35/952091835.db2.gz SMXUKQMLFGFEOZ-DYXWJJEUSA-N 2 1 368.481 1.169 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982229 952994867 /nfs/dbraw/zinc/99/48/67/952994867.db2.gz AAMRLQIJQXHRBS-ZCNNSNEGSA-N 2 1 369.513 1.344 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@@]3(C)C2)CC1 ZINC001092299787 954747352 /nfs/dbraw/zinc/74/73/52/954747352.db2.gz INEBCEKLLZPTQO-CTNGQTDRSA-N 2 1 369.513 1.046 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092610943 955667783 /nfs/dbraw/zinc/66/77/83/955667783.db2.gz AIIXKEXBLRPAIX-DAXOMENPSA-N 2 1 370.335 1.921 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092610943 955667785 /nfs/dbraw/zinc/66/77/85/955667785.db2.gz AIIXKEXBLRPAIX-DAXOMENPSA-N 2 1 370.335 1.921 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]2C)CC1 ZINC001093223619 957853627 /nfs/dbraw/zinc/85/36/27/957853627.db2.gz DALYFZQCXILLTP-OXQOHEQNSA-N 2 1 369.513 1.314 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC001093223614 957854096 /nfs/dbraw/zinc/85/40/96/957854096.db2.gz CPHXEWHJDWDZMD-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C(C)C)C[C@H]1O ZINC001093465560 958204398 /nfs/dbraw/zinc/20/43/98/958204398.db2.gz KNJUOYMJXUCBLY-PLOVASNDSA-N 2 1 361.530 1.318 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CCC2)CC1 ZINC001110147252 958336525 /nfs/dbraw/zinc/33/65/25/958336525.db2.gz SOBCQIBJBNFVIW-HKBOAZHASA-N 2 1 373.541 1.870 20 30 FDEDMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)cc1C#N ZINC001093673241 958517050 /nfs/dbraw/zinc/51/70/50/958517050.db2.gz MZOXSNWGAMMKKW-ATZDWAIDSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)s2)[C@H](C)C1 ZINC001093830891 958922260 /nfs/dbraw/zinc/92/22/60/958922260.db2.gz XQXKXFOYTIUMDE-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)s2)[C@H](C)C1 ZINC001093830891 958922262 /nfs/dbraw/zinc/92/22/62/958922262.db2.gz XQXKXFOYTIUMDE-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnoc1C)CC2 ZINC001094436785 960481145 /nfs/dbraw/zinc/48/11/45/960481145.db2.gz ILICQQAXHMMEKL-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnoc1C)CC2 ZINC001094436785 960481157 /nfs/dbraw/zinc/48/11/57/960481157.db2.gz ILICQQAXHMMEKL-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cnoc1C)CC2 ZINC001094436785 960481164 /nfs/dbraw/zinc/48/11/64/960481164.db2.gz ILICQQAXHMMEKL-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cnoc1C)CC2 ZINC001094436785 960481170 /nfs/dbraw/zinc/48/11/70/960481170.db2.gz ILICQQAXHMMEKL-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446779 960515741 /nfs/dbraw/zinc/51/57/41/960515741.db2.gz HCBPTTPQZUQABR-YFHUEUNASA-N 2 1 355.910 1.819 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446779 960515748 /nfs/dbraw/zinc/51/57/48/960515748.db2.gz HCBPTTPQZUQABR-YFHUEUNASA-N 2 1 355.910 1.819 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446779 960515752 /nfs/dbraw/zinc/51/57/52/960515752.db2.gz HCBPTTPQZUQABR-YFHUEUNASA-N 2 1 355.910 1.819 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001094446779 960515759 /nfs/dbraw/zinc/51/57/59/960515759.db2.gz HCBPTTPQZUQABR-YFHUEUNASA-N 2 1 355.910 1.819 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCCC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189870682 967320615 /nfs/dbraw/zinc/32/06/15/967320615.db2.gz CWZJRQQMBXLSOW-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)CC[N@H+](C)CCC)[C@@H]3C2)C1=O ZINC001189913753 967376220 /nfs/dbraw/zinc/37/62/20/967376220.db2.gz ZQKGDADABBRVAO-OKZBNKHCSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)CCC)[C@@H]3C2)C1=O ZINC001189913753 967376228 /nfs/dbraw/zinc/37/62/28/967376228.db2.gz ZQKGDADABBRVAO-OKZBNKHCSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)CCC)[C@@H]3C2)C1=O ZINC001189913753 967376239 /nfs/dbraw/zinc/37/62/39/967376239.db2.gz ZQKGDADABBRVAO-OKZBNKHCSA-N 2 1 362.518 1.038 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190350415 967771324 /nfs/dbraw/zinc/77/13/24/967771324.db2.gz DCOREJWNJFXREA-PKOBYXMFSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190350415 967771331 /nfs/dbraw/zinc/77/13/31/967771331.db2.gz DCOREJWNJFXREA-PKOBYXMFSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190350415 967771337 /nfs/dbraw/zinc/77/13/37/967771337.db2.gz DCOREJWNJFXREA-PKOBYXMFSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190350415 967771341 /nfs/dbraw/zinc/77/13/41/967771341.db2.gz DCOREJWNJFXREA-PKOBYXMFSA-N 2 1 370.497 1.940 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001194087179 970009395 /nfs/dbraw/zinc/00/93/95/970009395.db2.gz ZQLMXERWKDADDQ-QZTJIDSGSA-N 2 1 351.535 1.994 20 30 FDEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786218 974905556 /nfs/dbraw/zinc/90/55/56/974905556.db2.gz CYQZGDPUBMICMQ-CEXWTWQISA-N 2 1 369.550 1.883 20 30 FDEDMP CCCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786218 974905560 /nfs/dbraw/zinc/90/55/60/974905560.db2.gz CYQZGDPUBMICMQ-CEXWTWQISA-N 2 1 369.550 1.883 20 30 FDEDMP C[N@@H+](CCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000849116837 977329560 /nfs/dbraw/zinc/32/95/60/977329560.db2.gz YLKQOYFQEOCANQ-INIZCTEOSA-N 2 1 365.522 1.741 20 30 FDEDMP C#CCC1(O)CCN(C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000882527409 980702277 /nfs/dbraw/zinc/70/22/77/980702277.db2.gz ASCMQESMXLJBRR-UHFFFAOYSA-N 2 1 361.530 1.560 20 30 FDEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000883586675 982287029 /nfs/dbraw/zinc/28/70/29/982287029.db2.gz QDNFTGKIBVEKCE-ZTFGCOKTSA-N 2 1 354.458 1.204 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000884181617 982957146 /nfs/dbraw/zinc/95/71/46/982957146.db2.gz KRJSSCLMPYDJSN-OBXNSHGQSA-N 2 1 352.482 1.513 20 30 FDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+]1CCc2sccc2C1 ZINC000884193779 982969496 /nfs/dbraw/zinc/96/94/96/982969496.db2.gz OYMXQCGGXBFHQU-KQZBIBICSA-N 2 1 358.511 1.750 20 30 FDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1CCc2sccc2C1 ZINC000884193779 982969498 /nfs/dbraw/zinc/96/94/98/982969498.db2.gz OYMXQCGGXBFHQU-KQZBIBICSA-N 2 1 358.511 1.750 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1 ZINC000884201666 982976828 /nfs/dbraw/zinc/97/68/28/982976828.db2.gz DSGVGMMOWXRZCQ-OBUBLPOMSA-N 2 1 360.502 1.226 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H](C)O1 ZINC000884201666 982976834 /nfs/dbraw/zinc/97/68/34/982976834.db2.gz DSGVGMMOWXRZCQ-OBUBLPOMSA-N 2 1 360.502 1.226 20 30 FDEDMP C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000884308311 983072854 /nfs/dbraw/zinc/07/28/54/983072854.db2.gz LRQSVVBYNBTSOW-PMACEKPBSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000884308311 983072860 /nfs/dbraw/zinc/07/28/60/983072860.db2.gz LRQSVVBYNBTSOW-PMACEKPBSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000884308311 983072868 /nfs/dbraw/zinc/07/28/68/983072868.db2.gz LRQSVVBYNBTSOW-PMACEKPBSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000884308311 983072874 /nfs/dbraw/zinc/07/28/74/983072874.db2.gz LRQSVVBYNBTSOW-PMACEKPBSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000884308311 983072880 /nfs/dbraw/zinc/07/28/80/983072880.db2.gz LRQSVVBYNBTSOW-PMACEKPBSA-N 2 1 354.498 1.905 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884314376 983076326 /nfs/dbraw/zinc/07/63/26/983076326.db2.gz HSRMXCDFSXOEBM-LIEGOMBTSA-N 2 1 352.482 1.762 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cc(C)nc(N3CCCC3)c2)C1 ZINC000884361147 983114172 /nfs/dbraw/zinc/11/41/72/983114172.db2.gz NDYZMUSOAILKFI-SFHVURJKSA-N 2 1 355.486 1.887 20 30 FDEDMP C=CCOc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC ZINC000872255119 987546234 /nfs/dbraw/zinc/54/62/34/987546234.db2.gz PVAFQAVQNSURGG-FCEWJHQRSA-N 2 1 373.453 1.627 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000299670723 988671991 /nfs/dbraw/zinc/67/19/91/988671991.db2.gz UNRJNFLKCAFQML-UHFFFAOYSA-N 2 1 368.525 1.998 20 30 FDEDMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000371833642 990758564 /nfs/dbraw/zinc/75/85/64/990758564.db2.gz CAMQJIBQBHBROE-UHFFFAOYSA-N 2 1 369.513 1.846 20 30 FDEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876775175 992900406 /nfs/dbraw/zinc/90/04/06/992900406.db2.gz QBGCANQLWPOFOQ-XLIONFOSSA-N 2 1 352.482 1.935 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000876971682 992990754 /nfs/dbraw/zinc/99/07/54/992990754.db2.gz RSCNLWRQJXJJSD-KRWDZBQOSA-N 2 1 362.905 1.927 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000877199435 993100217 /nfs/dbraw/zinc/10/02/17/993100217.db2.gz RCFIKQDHIOMXKZ-LJQANCHMSA-N 2 1 362.437 1.188 20 30 FDEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000968861215 1015772143 /nfs/dbraw/zinc/77/21/43/1015772143.db2.gz JWZIZUDDHWMHNW-AQNXPRMDSA-N 2 1 361.530 1.727 20 30 FDEDMP C[NH+](Cc1cc(C#N)cc(C[N@H+](C)CC2(CO)CC2)c1)CC1(CO)CC1 ZINC000878482626 993977586 /nfs/dbraw/zinc/97/75/86/993977586.db2.gz VJIGDNWPRMJSRM-UHFFFAOYSA-N 2 1 357.498 1.967 20 30 FDEDMP COCC[N@H+](CC(=O)NC1(C#N)CCCCC1)CC1CC[NH+](C)CC1 ZINC000879123633 994557137 /nfs/dbraw/zinc/55/71/37/994557137.db2.gz XXZIFIFHPDUODY-UHFFFAOYSA-N 2 1 350.507 1.619 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000880264467 995767754 /nfs/dbraw/zinc/76/77/54/995767754.db2.gz WVPPFBPYDCRKNU-VQIMIIECSA-N 2 1 352.438 1.904 20 30 FDEDMP Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)nn1CCC#N ZINC000926081392 995912520 /nfs/dbraw/zinc/91/25/20/995912520.db2.gz GBSPWFGPQMTPRU-CALCHBBNSA-N 2 1 371.489 1.538 20 30 FDEDMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264108379 997402882 /nfs/dbraw/zinc/40/28/82/997402882.db2.gz PZKAZLWISFTWTB-QGZVFWFLSA-N 2 1 359.522 1.425 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1 ZINC000264720485 997581022 /nfs/dbraw/zinc/58/10/22/997581022.db2.gz OXQAEORTUREDSC-UHFFFAOYSA-N 2 1 372.513 1.965 20 30 FDEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000930137265 1002862548 /nfs/dbraw/zinc/86/25/48/1002862548.db2.gz QVURRWFAKWXBOS-GHTZIAJQSA-N 2 1 368.525 1.954 20 30 FDEDMP C[C@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303866448 1009643147 /nfs/dbraw/zinc/64/31/47/1009643147.db2.gz CKFJHCUSIZQHEV-INIZCTEOSA-N 2 1 367.538 1.976 20 30 FDEDMP [NH2+]=C(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)N1CCCCC1 ZINC000303889537 1009676985 /nfs/dbraw/zinc/67/69/85/1009676985.db2.gz LZNDBWWIUBLZNK-UHFFFAOYSA-N 2 1 373.501 1.648 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000303909948 1009688742 /nfs/dbraw/zinc/68/87/42/1009688742.db2.gz YMUYYWHBNBGHAW-SFHVURJKSA-N 3 1 373.549 1.112 20 30 FDEDMP CCN1CCN(c2ccc(CNC(=[NH2+])NC[C@@H]3CCC[N@@H+]3CC)cn2)CC1 ZINC000303909948 1009688751 /nfs/dbraw/zinc/68/87/51/1009688751.db2.gz YMUYYWHBNBGHAW-SFHVURJKSA-N 2 1 373.549 1.112 20 30 FDEDMP CCN1CCN(c2ccc(CNC(=[NH2+])NC[C@@H]3CCC[N@H+]3CC)cn2)CC1 ZINC000303909948 1009688762 /nfs/dbraw/zinc/68/87/62/1009688762.db2.gz YMUYYWHBNBGHAW-SFHVURJKSA-N 2 1 373.549 1.112 20 30 FDEDMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])NCC3CCC3)c2)C1 ZINC000304762357 1010489731 /nfs/dbraw/zinc/48/97/31/1010489731.db2.gz VPGFZXRUIPWJDA-SFHVURJKSA-N 2 1 357.502 1.588 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccccc2C#N)O1 ZINC000960715572 1011237923 /nfs/dbraw/zinc/23/79/23/1011237923.db2.gz DDKPCFGEQBAIEP-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2CN(C)Cc2ccccc2C#N)O1 ZINC000960715572 1011237933 /nfs/dbraw/zinc/23/79/33/1011237933.db2.gz DDKPCFGEQBAIEP-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333833889 259385819 /nfs/dbraw/zinc/38/58/19/259385819.db2.gz MZALSWPTDIAKLJ-QFBILLFUSA-N 2 1 355.486 1.774 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000270552276 674226840 /nfs/dbraw/zinc/22/68/40/674226840.db2.gz GLTABORYCSGBKC-OAHLLOKOSA-N 2 1 358.845 1.139 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000074130039 522687318 /nfs/dbraw/zinc/68/73/18/522687318.db2.gz AVQXHGWVQHZIBT-GOSISDBHSA-N 2 1 365.566 1.600 20 30 FDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1cnn(-c2ccccc2)c1 ZINC000088818741 524475000 /nfs/dbraw/zinc/47/50/00/524475000.db2.gz FQBNRFNMPBFMJM-LJQANCHMSA-N 2 1 369.517 1.125 20 30 FDEDMP CN(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1Cl ZINC000170906768 525763073 /nfs/dbraw/zinc/76/30/73/525763073.db2.gz VKLSDOCQSCOMCL-KRWDZBQOSA-N 2 1 367.925 1.569 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000119560554 525786677 /nfs/dbraw/zinc/78/66/77/525786677.db2.gz KLPVFQXYEKCUTP-IBGZPJMESA-N 2 1 368.525 1.659 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000156180697 526075284 /nfs/dbraw/zinc/07/52/84/526075284.db2.gz GDSHUXWTBWEFGT-AWEZNQCLSA-N 2 1 351.445 1.614 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371341969 537819848 /nfs/dbraw/zinc/81/98/48/537819848.db2.gz SYGGZNXEXQFAGY-GOSISDBHSA-N 2 1 363.550 1.485 20 30 FDEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc(C#N)nc3)CC2)CC1 ZINC000371088225 538098624 /nfs/dbraw/zinc/09/86/24/538098624.db2.gz COKXCSCCGZRSAQ-UHFFFAOYSA-N 2 1 355.486 1.879 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000561414843 545838343 /nfs/dbraw/zinc/83/83/43/545838343.db2.gz OXRIAMXVCIBVRX-QGZVFWFLSA-N 2 1 350.507 1.134 20 30 FDEDMP C[N@H+](CCOCc1ccc(C#N)cc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000564152801 546824097 /nfs/dbraw/zinc/82/40/97/546824097.db2.gz REUWLJAWKFTBEM-UHFFFAOYSA-N 2 1 370.497 1.750 20 30 FDEDMP C[N@@H+](CCOCc1ccc(C#N)cc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000564152801 546824106 /nfs/dbraw/zinc/82/41/06/546824106.db2.gz REUWLJAWKFTBEM-UHFFFAOYSA-N 2 1 370.497 1.750 20 30 FDEDMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000565713668 547451941 /nfs/dbraw/zinc/45/19/41/547451941.db2.gz JFUAOWITKHCHLL-OALUTQOASA-N 2 1 357.502 1.503 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCC#N)[C@H](c2ccccc2)C1 ZINC000565713668 547451946 /nfs/dbraw/zinc/45/19/46/547451946.db2.gz JFUAOWITKHCHLL-OALUTQOASA-N 2 1 357.502 1.503 20 30 FDEDMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000571795452 549766720 /nfs/dbraw/zinc/76/67/20/549766720.db2.gz ZNOSMBJYZXIFSG-IBGZPJMESA-N 2 1 357.502 1.461 20 30 FDEDMP C[C@H]1C[N@H+](CCCNCCS(=O)(=O)c2ccc(C#N)cc2)CCCO1 ZINC000572114522 549845231 /nfs/dbraw/zinc/84/52/31/549845231.db2.gz ZEKJJFIZESBTDO-INIZCTEOSA-N 2 1 365.499 1.422 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000584580581 551521398 /nfs/dbraw/zinc/52/13/98/551521398.db2.gz NFLBIYWZFOTLLF-LJQANCHMSA-N 2 1 355.486 1.918 20 30 FDEDMP COC(=O)C[C@H]1CCCC[N@H+]1CC#CC[NH+]1CCCC[C@H]1CC(=O)OC ZINC000585753451 551593421 /nfs/dbraw/zinc/59/34/21/551593421.db2.gz FMXCXCYDLQPAJX-HDICACEKSA-N 2 1 364.486 1.825 20 30 FDEDMP COC(=O)C[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000585753451 551593423 /nfs/dbraw/zinc/59/34/23/551593423.db2.gz FMXCXCYDLQPAJX-HDICACEKSA-N 2 1 364.486 1.825 20 30 FDEDMP COC(=O)C[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000585753451 551593425 /nfs/dbraw/zinc/59/34/25/551593425.db2.gz FMXCXCYDLQPAJX-HDICACEKSA-N 2 1 364.486 1.825 20 30 FDEDMP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000592168000 551952634 /nfs/dbraw/zinc/95/26/34/551952634.db2.gz SAGKFZYHGCTTGJ-ROUUACIJSA-N 2 1 371.485 1.812 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000592343887 551982939 /nfs/dbraw/zinc/98/29/39/551982939.db2.gz MATCYWAVANLYOX-LJQANCHMSA-N 2 1 365.566 1.598 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000592351899 551983585 /nfs/dbraw/zinc/98/35/85/551983585.db2.gz GSYMFHVKNZQXGO-SFHVURJKSA-N 2 1 350.507 1.533 20 30 FDEDMP CCN1CC[NH+](Cc2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594439536 552310195 /nfs/dbraw/zinc/31/01/95/552310195.db2.gz RMSMACSKHDOVCS-HXUWFJFHSA-N 2 1 371.529 1.852 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc(OC)c1 ZINC000594439547 552310489 /nfs/dbraw/zinc/31/04/89/552310489.db2.gz RREBNJDNZVGORB-LPHOPBHVSA-N 2 1 374.485 1.806 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)C2)cc(OC)c1 ZINC000594439547 552310491 /nfs/dbraw/zinc/31/04/91/552310491.db2.gz RREBNJDNZVGORB-LPHOPBHVSA-N 2 1 374.485 1.806 20 30 FDEDMP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000600714122 553305979 /nfs/dbraw/zinc/30/59/79/553305979.db2.gz JFZVPSVPUYKTGX-FQEVSTJZSA-N 2 1 373.497 1.680 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(CCC#N)CC3)CC2)CC1 ZINC000602202241 553539258 /nfs/dbraw/zinc/53/92/58/553539258.db2.gz BQAKMIPZSWTXNS-UHFFFAOYSA-N 2 1 361.534 1.241 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000134118910 671826191 /nfs/dbraw/zinc/82/61/91/671826191.db2.gz ZJYPLGUAHQRLHT-HNNXBMFYSA-N 2 1 353.511 1.490 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCN(c2nc(CC)ns2)CC1 ZINC000261829533 672679875 /nfs/dbraw/zinc/67/98/75/672679875.db2.gz VHFCZZUAFRUKCZ-CQSZACIVSA-N 2 1 365.551 1.140 20 30 FDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262515953 672802052 /nfs/dbraw/zinc/80/20/52/672802052.db2.gz GFSUUMYELYQCRK-QGZVFWFLSA-N 2 1 364.925 1.023 20 30 FDEDMP CCN(CC)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccco1 ZINC000264068744 672900238 /nfs/dbraw/zinc/90/02/38/672900238.db2.gz CLOVGQYKJKCNEG-INIZCTEOSA-N 2 1 351.495 1.289 20 30 FDEDMP COc1ccccc1O[C@@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267411722 673300977 /nfs/dbraw/zinc/30/09/77/673300977.db2.gz IIJOZXYTYNDYSK-HNNXBMFYSA-N 2 1 350.463 1.089 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1CS(C)(=O)=O ZINC000304743936 676544263 /nfs/dbraw/zinc/54/42/63/676544263.db2.gz DMAVEZQZMMGDDC-INIZCTEOSA-N 2 1 352.504 1.120 20 30 FDEDMP CCOc1cc(Cl)ccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000305227428 676544979 /nfs/dbraw/zinc/54/49/79/676544979.db2.gz ZRWBUWRZPNJYPW-UHFFFAOYSA-N 2 1 354.882 1.865 20 30 FDEDMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000329554647 676643768 /nfs/dbraw/zinc/64/37/68/676643768.db2.gz KKUWDDSMGCFURT-JQHSSLGASA-N 2 1 352.523 1.552 20 30 FDEDMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000329805283 676657837 /nfs/dbraw/zinc/65/78/37/676657837.db2.gz MWQPEWBUWAWILW-WBVHZDCISA-N 2 1 351.539 1.531 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC(C)(C)O)CC2)CC1 ZINC000373553280 678064563 /nfs/dbraw/zinc/06/45/63/678064563.db2.gz BMTCIOVTEJTXKF-UHFFFAOYSA-N 2 1 352.523 1.515 20 30 FDEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289728 773648395 /nfs/dbraw/zinc/64/83/95/773648395.db2.gz RMQOLLUSMKIQFB-GUDVDZBRSA-N 2 1 361.534 1.854 20 30 FDEDMP CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000893024799 792502861 /nfs/dbraw/zinc/50/28/61/792502861.db2.gz VZXWQTURZFFYMD-HNNXBMFYSA-N 2 1 361.515 1.930 20 30 FDEDMP CN(Cc1cc(C#N)cs1)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000893024799 792502866 /nfs/dbraw/zinc/50/28/66/792502866.db2.gz VZXWQTURZFFYMD-HNNXBMFYSA-N 2 1 361.515 1.930 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001026916790 800176175 /nfs/dbraw/zinc/17/61/75/800176175.db2.gz ONYODFWEAAHERA-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001026916790 800176179 /nfs/dbraw/zinc/17/61/79/800176179.db2.gz ONYODFWEAAHERA-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[NH+]1CC[C@]2(C1)CCCN(CC#CCN1CCC[C@]3(CC[N@H+](C)C3)C1)C2 ZINC000660665571 801007719 /nfs/dbraw/zinc/00/77/19/801007719.db2.gz WODDQRUCDDMFRU-SZPZYZBQSA-N 2 1 358.574 1.825 20 30 FDEDMP C[NH+]1CC[C@@]2(C1)CCCN(CC#CCN1CCC[C@@]3(CC[N@H+](C)C3)C1)C2 ZINC000660665571 801007728 /nfs/dbraw/zinc/00/77/28/801007728.db2.gz WODDQRUCDDMFRU-SZPZYZBQSA-N 2 1 358.574 1.825 20 30 FDEDMP C[NH+]1CC[C@@]2(C1)CCCN(CC#CCN1CCC[C@@]3(CC[N@@H+](C)C3)C1)C2 ZINC000660665571 801007735 /nfs/dbraw/zinc/00/77/35/801007735.db2.gz WODDQRUCDDMFRU-SZPZYZBQSA-N 2 1 358.574 1.825 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000669336989 810320998 /nfs/dbraw/zinc/32/09/98/810320998.db2.gz ZVARNDVFDOEGCO-MSOLQXFVSA-N 2 1 374.533 1.920 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262020017 811368449 /nfs/dbraw/zinc/36/84/49/811368449.db2.gz YPJNSCSMFDSLJN-KBXCAEBGSA-N 2 1 367.501 1.723 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C)C(C)C ZINC000419425892 811935088 /nfs/dbraw/zinc/93/50/88/811935088.db2.gz QFRPQMLLNXNJAH-GUDVDZBRSA-N 2 1 366.550 1.782 20 30 FDEDMP N#Cc1ccccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798427 820432298 /nfs/dbraw/zinc/43/22/98/820432298.db2.gz ANVNTBAXJYXESZ-PCCBWWKXSA-N 2 1 364.493 1.933 20 30 FDEDMP N#Cc1ccccc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H]2C1 ZINC001075798427 820432301 /nfs/dbraw/zinc/43/23/01/820432301.db2.gz ANVNTBAXJYXESZ-PCCBWWKXSA-N 2 1 364.493 1.933 20 30 FDEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@@H]1C ZINC000329006198 824532601 /nfs/dbraw/zinc/53/26/01/824532601.db2.gz YXXKAQMEAVIBAC-IRXDYDNUSA-N 2 1 374.533 1.662 20 30 FDEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329301798 824724303 /nfs/dbraw/zinc/72/43/03/824724303.db2.gz WMBYZEGIXXCWKJ-HCXYKTFWSA-N 2 1 364.534 1.885 20 30 FDEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000329409176 824775708 /nfs/dbraw/zinc/77/57/08/824775708.db2.gz CPBOHQLNFLLPBG-OWYHZJEWSA-N 2 1 364.534 1.694 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329738252 825408760 /nfs/dbraw/zinc/40/87/60/825408760.db2.gz UCZUWHGWAJCVIJ-BRWVUGGUSA-N 2 1 366.506 1.139 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000329738252 825408765 /nfs/dbraw/zinc/40/87/65/825408765.db2.gz UCZUWHGWAJCVIJ-BRWVUGGUSA-N 2 1 366.506 1.139 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329738252 825408772 /nfs/dbraw/zinc/40/87/72/825408772.db2.gz UCZUWHGWAJCVIJ-BRWVUGGUSA-N 2 1 366.506 1.139 20 30 FDEDMP O=C(N1C[C@@H]2C[N@H+](CC#Cc3ccccc3)CC[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC001088172180 827242465 /nfs/dbraw/zinc/24/24/65/827242465.db2.gz ZARNRZLBMVPNQO-RTWAWAEBSA-N 2 1 363.505 1.914 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001088199851 827432662 /nfs/dbraw/zinc/43/26/62/827432662.db2.gz FNVPMPHNXNUYPJ-NJYVYQBISA-N 2 1 351.494 1.770 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001088199851 827432665 /nfs/dbraw/zinc/43/26/65/827432665.db2.gz FNVPMPHNXNUYPJ-NJYVYQBISA-N 2 1 351.494 1.770 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001088199851 827432671 /nfs/dbraw/zinc/43/26/71/827432671.db2.gz FNVPMPHNXNUYPJ-NJYVYQBISA-N 2 1 351.494 1.770 20 30 FDEDMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303888770 827939883 /nfs/dbraw/zinc/93/98/83/827939883.db2.gz PDCKSFIJZTZKNB-INIZCTEOSA-N 2 1 367.538 1.974 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000729592915 830135138 /nfs/dbraw/zinc/13/51/38/830135138.db2.gz NXKOUWOLLOBFLO-GBESFXJTSA-N 2 1 364.534 1.847 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088571459 834839643 /nfs/dbraw/zinc/83/96/43/834839643.db2.gz ATLHTBGNNUIULC-XPGWFJOJSA-N 2 1 352.482 1.979 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088571459 834839652 /nfs/dbraw/zinc/83/96/52/834839652.db2.gz ATLHTBGNNUIULC-XPGWFJOJSA-N 2 1 352.482 1.979 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105670134 844358119 /nfs/dbraw/zinc/35/81/19/844358119.db2.gz YAZGDFNWOVEQSN-HNBVOPMISA-N 2 1 351.535 1.870 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642332 842306333 /nfs/dbraw/zinc/30/63/33/842306333.db2.gz IVFUSFYFDMNFIN-DCXXXQMHSA-N 2 1 363.546 1.706 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088815601 845792991 /nfs/dbraw/zinc/79/29/91/845792991.db2.gz WTSZWPNLWKLNSV-LSTHTHJFSA-N 2 1 370.497 1.746 20 30 FDEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088815601 845792997 /nfs/dbraw/zinc/79/29/97/845792997.db2.gz WTSZWPNLWKLNSV-LSTHTHJFSA-N 2 1 370.497 1.746 20 30 FDEDMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088815601 845793003 /nfs/dbraw/zinc/79/30/03/845793003.db2.gz WTSZWPNLWKLNSV-LSTHTHJFSA-N 2 1 370.497 1.746 20 30 FDEDMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088815601 845793006 /nfs/dbraw/zinc/79/30/06/845793006.db2.gz WTSZWPNLWKLNSV-LSTHTHJFSA-N 2 1 370.497 1.746 20 30 FDEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083524011 846245307 /nfs/dbraw/zinc/24/53/07/846245307.db2.gz CWGVNAPGPJODAX-ZCNNSNEGSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083524011 846245322 /nfs/dbraw/zinc/24/53/22/846245322.db2.gz CWGVNAPGPJODAX-ZCNNSNEGSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083524011 846245332 /nfs/dbraw/zinc/24/53/32/846245332.db2.gz CWGVNAPGPJODAX-ZCNNSNEGSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083524011 846245338 /nfs/dbraw/zinc/24/53/38/846245338.db2.gz CWGVNAPGPJODAX-ZCNNSNEGSA-N 2 1 370.497 1.482 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076572701 848445100 /nfs/dbraw/zinc/44/51/00/848445100.db2.gz FCXWFCCLEMINBP-PKOBYXMFSA-N 2 1 368.481 1.695 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001076572701 848445108 /nfs/dbraw/zinc/44/51/08/848445108.db2.gz FCXWFCCLEMINBP-PKOBYXMFSA-N 2 1 368.481 1.695 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CC[NH+](C)C4)[C@@H]3C2)cc1C#N ZINC001076569122 848464608 /nfs/dbraw/zinc/46/46/08/848464608.db2.gz KKKMLKRFRHISKO-JENIJYKNSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1C#N ZINC001076569122 848464610 /nfs/dbraw/zinc/46/46/10/848464610.db2.gz KKKMLKRFRHISKO-JENIJYKNSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1C#N ZINC001076569122 848464613 /nfs/dbraw/zinc/46/46/13/848464613.db2.gz KKKMLKRFRHISKO-JENIJYKNSA-N 2 1 368.481 1.551 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnoc4C)C[C@H]32)CC1 ZINC001076604477 848553812 /nfs/dbraw/zinc/55/38/12/848553812.db2.gz IBCJWZXTCIXAID-PKOBYXMFSA-N 2 1 356.470 1.361 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905093827 851677457 /nfs/dbraw/zinc/67/74/57/851677457.db2.gz CGCNYXKWZVDOQT-MRXNPFEDSA-N 2 1 373.563 1.228 20 30 FDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000153987563 881627648 /nfs/dbraw/zinc/62/76/48/881627648.db2.gz JGQHIVSVMKMHFC-AWEZNQCLSA-N 2 1 353.470 1.988 20 30 FDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000153987563 881627656 /nfs/dbraw/zinc/62/76/56/881627656.db2.gz JGQHIVSVMKMHFC-AWEZNQCLSA-N 2 1 353.470 1.988 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105946350 864190531 /nfs/dbraw/zinc/19/05/31/864190531.db2.gz RFQJRUDWIUWXTM-KURKYZTESA-N 2 1 364.534 1.189 20 30 FDEDMP C#CCN(C(=O)NCC[N@H+](CC)CCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000922188121 873596341 /nfs/dbraw/zinc/59/63/41/873596341.db2.gz OVEYSDDACQSYRM-UHFFFAOYSA-N 2 1 362.440 2.000 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189033 912226288 /nfs/dbraw/zinc/22/62/88/912226288.db2.gz GLJRRLXLDHHNTC-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626531 878844268 /nfs/dbraw/zinc/84/42/68/878844268.db2.gz BWCXIIUKGIBIMS-FTEYMNFISA-N 2 1 364.534 1.111 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@]2(C[NH+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626531 878844279 /nfs/dbraw/zinc/84/42/79/878844279.db2.gz BWCXIIUKGIBIMS-FTEYMNFISA-N 2 1 364.534 1.111 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@]2(C[NH+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626531 878844287 /nfs/dbraw/zinc/84/42/87/878844287.db2.gz BWCXIIUKGIBIMS-FTEYMNFISA-N 2 1 364.534 1.111 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054712 885587762 /nfs/dbraw/zinc/58/77/62/885587762.db2.gz KRDSBSPZXOIKMZ-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054712 885587772 /nfs/dbraw/zinc/58/77/72/885587772.db2.gz KRDSBSPZXOIKMZ-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054712 885587783 /nfs/dbraw/zinc/58/77/83/885587783.db2.gz KRDSBSPZXOIKMZ-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219934 886603135 /nfs/dbraw/zinc/60/31/35/886603135.db2.gz OPQOGDMKNIUIDK-BBWFWOEESA-N 2 1 360.506 1.316 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@@H]2O)CC1 ZINC001084087830 913357411 /nfs/dbraw/zinc/35/74/11/913357411.db2.gz BXDXCEVRWBPFGY-RTWAWAEBSA-N 2 1 369.509 1.310 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923555285 889771474 /nfs/dbraw/zinc/77/14/74/889771474.db2.gz UHCGAOOWEQYGFJ-JKSUJKDBSA-N 2 1 366.506 1.045 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923555285 889771478 /nfs/dbraw/zinc/77/14/78/889771478.db2.gz UHCGAOOWEQYGFJ-JKSUJKDBSA-N 2 1 366.506 1.045 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2CC)[C@H](OC)C1 ZINC001212301554 889983284 /nfs/dbraw/zinc/98/32/84/889983284.db2.gz ZIYPPNSTODINAD-BRWVUGGUSA-N 2 1 364.490 1.415 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@H](OC)C1 ZINC001212301554 889983299 /nfs/dbraw/zinc/98/32/99/889983299.db2.gz ZIYPPNSTODINAD-BRWVUGGUSA-N 2 1 364.490 1.415 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001084231100 913776272 /nfs/dbraw/zinc/77/62/72/913776272.db2.gz STTXKOGSVGLGSI-MISYRCLQSA-N 2 1 368.481 1.716 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001084231100 913776283 /nfs/dbraw/zinc/77/62/83/913776283.db2.gz STTXKOGSVGLGSI-MISYRCLQSA-N 2 1 368.481 1.716 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001084231100 913776293 /nfs/dbraw/zinc/77/62/93/913776293.db2.gz STTXKOGSVGLGSI-MISYRCLQSA-N 2 1 368.481 1.716 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001106980844 897431007 /nfs/dbraw/zinc/43/10/07/897431007.db2.gz BZBLUHCCIACJHJ-NZSAHSFTSA-N 2 1 357.473 1.813 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142590 901950860 /nfs/dbraw/zinc/95/08/60/901950860.db2.gz JTGGTHNKAQBUQE-NHCUHLMSSA-N 2 1 369.509 1.425 20 30 FDEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142590 901950861 /nfs/dbraw/zinc/95/08/61/901950861.db2.gz JTGGTHNKAQBUQE-NHCUHLMSSA-N 2 1 369.509 1.425 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135925 902002767 /nfs/dbraw/zinc/00/27/67/902002767.db2.gz VVLQNAXXXBTEJK-CWJKEVGVSA-N 2 1 369.509 1.424 20 30 FDEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135925 902002779 /nfs/dbraw/zinc/00/27/79/902002779.db2.gz VVLQNAXXXBTEJK-CWJKEVGVSA-N 2 1 369.509 1.424 20 30 FDEDMP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079135925 902002791 /nfs/dbraw/zinc/00/27/91/902002791.db2.gz VVLQNAXXXBTEJK-CWJKEVGVSA-N 2 1 369.509 1.424 20 30 FDEDMP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079135925 902002795 /nfs/dbraw/zinc/00/27/95/902002795.db2.gz VVLQNAXXXBTEJK-CWJKEVGVSA-N 2 1 369.509 1.424 20 30 FDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227101 902238512 /nfs/dbraw/zinc/23/85/12/902238512.db2.gz CFVOYBQQCBGLDL-GBESFXJTSA-N 2 1 361.530 1.986 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079245661 902255688 /nfs/dbraw/zinc/25/56/88/902255688.db2.gz FAOIKQXFEFRARJ-RBUKOAKNSA-N 2 1 359.514 1.433 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259668 902295618 /nfs/dbraw/zinc/29/56/18/902295618.db2.gz MZWGOWRWKIQWIC-GBESFXJTSA-N 2 1 361.530 1.844 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260540 902297500 /nfs/dbraw/zinc/29/75/00/902297500.db2.gz BEXAHAXAAPQANA-CEXWTWQISA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654431344 902975564 /nfs/dbraw/zinc/97/55/64/902975564.db2.gz GXMNWMYAYNLFDJ-YESZJQIVSA-N 2 1 352.523 1.824 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654431344 902975572 /nfs/dbraw/zinc/97/55/72/902975572.db2.gz GXMNWMYAYNLFDJ-YESZJQIVSA-N 2 1 352.523 1.824 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710449 903120396 /nfs/dbraw/zinc/12/03/96/903120396.db2.gz JAHFWFNDDMJTMA-LXGCGDOSSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710449 903120406 /nfs/dbraw/zinc/12/04/06/903120406.db2.gz JAHFWFNDDMJTMA-LXGCGDOSSA-N 2 1 370.472 1.976 20 30 FDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)COC[C@@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552454 905556389 /nfs/dbraw/zinc/55/63/89/905556389.db2.gz NLPBORCLQNIBDV-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082094782 905753105 /nfs/dbraw/zinc/75/31/05/905753105.db2.gz BOZFQSXNZTXGHU-RTBURBONSA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082094782 905753115 /nfs/dbraw/zinc/75/31/15/905753115.db2.gz BOZFQSXNZTXGHU-RTBURBONSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787810 906315522 /nfs/dbraw/zinc/31/55/22/906315522.db2.gz UBNMXVINYRIGSR-VQIMIIECSA-N 2 1 355.457 1.710 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787810 906315536 /nfs/dbraw/zinc/31/55/36/906315536.db2.gz UBNMXVINYRIGSR-VQIMIIECSA-N 2 1 355.457 1.710 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO[C@@H]3CC3(F)F)C[C@H]2C)CC1 ZINC001080997359 906969492 /nfs/dbraw/zinc/96/94/92/906969492.db2.gz AJFPYDRCCUSCLX-DJIMGWMZSA-N 2 1 369.456 1.192 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001081196877 907377809 /nfs/dbraw/zinc/37/78/09/907377809.db2.gz ICZDVBDJFBVSCW-VQTJNVASSA-N 2 1 357.498 1.869 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082520050 908213861 /nfs/dbraw/zinc/21/38/61/908213861.db2.gz XDLNHKHVOJLMNO-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)cc1C#N ZINC001082520582 908220387 /nfs/dbraw/zinc/22/03/87/908220387.db2.gz GJXDJDZFNNDSLE-OHDICMOHSA-N 2 1 370.497 1.844 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=C)Br)C1 ZINC001082568128 908706260 /nfs/dbraw/zinc/70/62/60/908706260.db2.gz ZKEFUKLLPKCPFM-YUELXQCFSA-N 2 1 354.292 1.429 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=C)Br)C1 ZINC001082568128 908706271 /nfs/dbraw/zinc/70/62/71/908706271.db2.gz ZKEFUKLLPKCPFM-YUELXQCFSA-N 2 1 354.292 1.429 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001082568093 908706320 /nfs/dbraw/zinc/70/63/20/908706320.db2.gz XBOAGXSLXPATQI-ZMYBRWDISA-N 2 1 361.436 1.999 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2F)C1 ZINC001082568093 908706334 /nfs/dbraw/zinc/70/63/34/908706334.db2.gz XBOAGXSLXPATQI-ZMYBRWDISA-N 2 1 361.436 1.999 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082702799 909625387 /nfs/dbraw/zinc/62/53/87/909625387.db2.gz IVYQZCKVPOPVRC-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082702799 909625398 /nfs/dbraw/zinc/62/53/98/909625398.db2.gz IVYQZCKVPOPVRC-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N1CCN(c2ncccn2)CC1 ZINC000073447177 909731750 /nfs/dbraw/zinc/73/17/50/909731750.db2.gz SNESHQOBYXDVMZ-KRWDZBQOSA-N 2 1 359.522 1.296 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410083 911834028 /nfs/dbraw/zinc/83/40/28/911834028.db2.gz NXWKOMBUSYAQRZ-GUDVDZBRSA-N 2 1 356.470 1.214 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212410083 911834039 /nfs/dbraw/zinc/83/40/39/911834039.db2.gz NXWKOMBUSYAQRZ-GUDVDZBRSA-N 2 1 356.470 1.214 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145443 912208728 /nfs/dbraw/zinc/20/87/28/912208728.db2.gz JDGZSNBQDMEENX-RBUKOAKNSA-N 2 1 358.486 1.640 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@H]2C1 ZINC001083145443 912208748 /nfs/dbraw/zinc/20/87/48/912208748.db2.gz JDGZSNBQDMEENX-RBUKOAKNSA-N 2 1 358.486 1.640 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC[C@H]4CCCO4)C[C@H]32)CC1 ZINC001084851205 917660594 /nfs/dbraw/zinc/66/05/94/917660594.db2.gz RQRMUXGLGAVRSM-VAMGGRTRSA-N 2 1 359.514 1.433 20 30 FDEDMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CC(=O)N(Cc2ccccc2C#N)C1=O ZINC000103461852 928961511 /nfs/dbraw/zinc/96/15/11/928961511.db2.gz XFFWCSGGCPROSE-UHFFFAOYSA-N 2 1 369.469 1.554 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086595263 933885154 /nfs/dbraw/zinc/88/51/54/933885154.db2.gz TZJAINDHFSRCHU-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086595263 933885164 /nfs/dbraw/zinc/88/51/64/933885164.db2.gz TZJAINDHFSRCHU-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086595263 933885178 /nfs/dbraw/zinc/88/51/78/933885178.db2.gz TZJAINDHFSRCHU-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086595263 933885184 /nfs/dbraw/zinc/88/51/84/933885184.db2.gz TZJAINDHFSRCHU-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894345 938555420 /nfs/dbraw/zinc/55/54/20/938555420.db2.gz BTNPPFRVFWWNPI-JQHSSLGASA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001130011983 938614432 /nfs/dbraw/zinc/61/44/32/938614432.db2.gz HQPLTZJCIAMDQY-SJORKVTESA-N 2 1 360.506 1.318 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672565 939971933 /nfs/dbraw/zinc/97/19/33/939971933.db2.gz SZESRZJMHGVWBA-JENIJYKNSA-N 2 1 359.518 1.612 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672797 939971996 /nfs/dbraw/zinc/97/19/96/939971996.db2.gz ZLVBILNJVZXXAY-ZIFCJYIRSA-N 2 1 359.518 1.755 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130695482 939990107 /nfs/dbraw/zinc/99/01/07/939990107.db2.gz VICPVXFMKPHSBO-PKOBYXMFSA-N 2 1 368.485 1.313 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131008218 940434687 /nfs/dbraw/zinc/43/46/87/940434687.db2.gz XNDJFCGTTUERSE-GUDVDZBRSA-N 2 1 371.529 1.590 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070169 940484209 /nfs/dbraw/zinc/48/42/09/940484209.db2.gz JCOWEOXLMRDBGO-RCCFBDPRSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001131610259 940789951 /nfs/dbraw/zinc/78/99/51/940789951.db2.gz IMMJYOQAHNOPCI-IRLDBZIGSA-N 2 1 369.509 1.737 20 30 FDEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001131610259 940789953 /nfs/dbraw/zinc/78/99/53/940789953.db2.gz IMMJYOQAHNOPCI-IRLDBZIGSA-N 2 1 369.509 1.737 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CCC2)C1 ZINC001086983109 952996552 /nfs/dbraw/zinc/99/65/52/952996552.db2.gz XLVBIYLBXNUYKY-ZCNNSNEGSA-N 2 1 369.513 1.202 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CCC2)C1 ZINC001086983109 952996555 /nfs/dbraw/zinc/99/65/55/952996555.db2.gz XLVBIYLBXNUYKY-ZCNNSNEGSA-N 2 1 369.513 1.202 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCn4cccn4)C[C@@]3(C)C2)CC1 ZINC001092299569 954745171 /nfs/dbraw/zinc/74/51/71/954745171.db2.gz BRLNZZLATPGURV-CTNGQTDRSA-N 2 1 369.513 1.009 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504287 955277106 /nfs/dbraw/zinc/27/71/06/955277106.db2.gz KILJHMAXZIWSOP-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504287 955277113 /nfs/dbraw/zinc/27/71/13/955277113.db2.gz KILJHMAXZIWSOP-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504287 955277116 /nfs/dbraw/zinc/27/71/16/955277116.db2.gz KILJHMAXZIWSOP-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504287 955277122 /nfs/dbraw/zinc/27/71/22/955277122.db2.gz KILJHMAXZIWSOP-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522873 955317661 /nfs/dbraw/zinc/31/76/61/955317661.db2.gz WPYIRXJEPISDNH-RLLQIKCJSA-N 2 1 355.482 1.053 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522873 955317674 /nfs/dbraw/zinc/31/76/74/955317674.db2.gz WPYIRXJEPISDNH-RLLQIKCJSA-N 2 1 355.482 1.053 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092522873 955317686 /nfs/dbraw/zinc/31/76/86/955317686.db2.gz WPYIRXJEPISDNH-RLLQIKCJSA-N 2 1 355.482 1.053 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092522873 955317695 /nfs/dbraw/zinc/31/76/95/955317695.db2.gz WPYIRXJEPISDNH-RLLQIKCJSA-N 2 1 355.482 1.053 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093857393 959016538 /nfs/dbraw/zinc/01/65/38/959016538.db2.gz CBEXURIMQXWZBX-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093857393 959016552 /nfs/dbraw/zinc/01/65/52/959016552.db2.gz CBEXURIMQXWZBX-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCCO1 ZINC000775791348 972483746 /nfs/dbraw/zinc/48/37/46/972483746.db2.gz LUZHOFUODQFYSP-VQTJNVASSA-N 2 1 370.497 1.537 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474058 960642676 /nfs/dbraw/zinc/64/26/76/960642676.db2.gz JNYLOFSYLYYHRA-HSGZRYJKSA-N 2 1 357.498 1.234 20 30 FDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474058 960642683 /nfs/dbraw/zinc/64/26/83/960642683.db2.gz JNYLOFSYLYYHRA-HSGZRYJKSA-N 2 1 357.498 1.234 20 30 FDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474058 960642692 /nfs/dbraw/zinc/64/26/92/960642692.db2.gz JNYLOFSYLYYHRA-HSGZRYJKSA-N 2 1 357.498 1.234 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518550 960945684 /nfs/dbraw/zinc/94/56/84/960945684.db2.gz WGJODKZJRNFNHG-AXVVYFOYSA-N 2 1 364.534 1.093 20 30 FDEDMP C=C(C)CC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001094740213 961134244 /nfs/dbraw/zinc/13/42/44/961134244.db2.gz LUGQGZYXGVNTBI-BPQIPLTHSA-N 2 1 362.518 1.084 20 30 FDEDMP C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001172319320 961619956 /nfs/dbraw/zinc/61/99/56/961619956.db2.gz MPSMKONNDPSIPB-KRWDZBQOSA-N 2 1 354.498 1.975 20 30 FDEDMP COC(=O)[C@@H](CCC[NH3+])[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173424601 962126935 /nfs/dbraw/zinc/12/69/35/962126935.db2.gz ZUNHKCVZRFOFMS-QGZVFWFLSA-N 2 1 358.442 1.033 20 30 FDEDMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001185266683 963889131 /nfs/dbraw/zinc/88/91/31/963889131.db2.gz CZMMZPPEDXWVPP-UFYCRDLUSA-N 2 1 369.513 1.403 20 30 FDEDMP C=CCN1CC[C@@H]([NH2+]CCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001178522687 964273278 /nfs/dbraw/zinc/27/32/78/964273278.db2.gz ODEZXCUJHTYHMI-KZNAEPCWSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCN(CC=C)C(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237739 967683640 /nfs/dbraw/zinc/68/36/40/967683640.db2.gz FEWYULFPEIUJPV-FGTMMUONSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237739 967683647 /nfs/dbraw/zinc/68/36/47/967683647.db2.gz FEWYULFPEIUJPV-FGTMMUONSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237739 967683655 /nfs/dbraw/zinc/68/36/55/967683655.db2.gz FEWYULFPEIUJPV-FGTMMUONSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237739 967683659 /nfs/dbraw/zinc/68/36/59/967683659.db2.gz FEWYULFPEIUJPV-FGTMMUONSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237739 967683664 /nfs/dbraw/zinc/68/36/64/967683664.db2.gz FEWYULFPEIUJPV-FGTMMUONSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001193726834 969817640 /nfs/dbraw/zinc/81/76/40/969817640.db2.gz FODJEEFKOYRCJH-IPMKNSEASA-N 2 1 351.535 1.872 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193726834 969817644 /nfs/dbraw/zinc/81/76/44/969817644.db2.gz FODJEEFKOYRCJH-IPMKNSEASA-N 2 1 351.535 1.872 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001193726834 969817648 /nfs/dbraw/zinc/81/76/48/969817648.db2.gz FODJEEFKOYRCJH-IPMKNSEASA-N 2 1 351.535 1.872 20 30 FDEDMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CCCC1 ZINC001195005728 970607443 /nfs/dbraw/zinc/60/74/43/970607443.db2.gz ANLCPTOPBQIRQK-RTBURBONSA-N 2 1 370.497 1.484 20 30 FDEDMP C[NH+](C)C1(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CCCC1 ZINC001195005728 970607448 /nfs/dbraw/zinc/60/74/48/970607448.db2.gz ANLCPTOPBQIRQK-RTBURBONSA-N 2 1 370.497 1.484 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000863550897 973007923 /nfs/dbraw/zinc/00/79/23/973007923.db2.gz CESOKMFEHPVAOT-RTBURBONSA-N 2 1 359.470 1.531 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000858492671 982078356 /nfs/dbraw/zinc/07/83/56/982078356.db2.gz BKQUVJXZDRVUFN-UHFFFAOYSA-N 2 1 350.507 1.228 20 30 FDEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001202589664 982637814 /nfs/dbraw/zinc/63/78/14/982637814.db2.gz ZWIYMQMDWLADST-RTWAWAEBSA-N 2 1 369.509 1.562 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1ccc(CC[NH+]3CCOCC3)cc1)C2 ZINC000884197976 982973670 /nfs/dbraw/zinc/97/36/70/982973670.db2.gz KHBVJAOOCOOKLM-WBTXTPOCSA-N 2 1 368.481 1.639 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)C2 ZINC000884203946 982979141 /nfs/dbraw/zinc/97/91/41/982979141.db2.gz JTYWVJWLQGWHRP-SFHMGJLPSA-N 2 1 366.509 1.807 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000884221971 982996115 /nfs/dbraw/zinc/99/61/15/982996115.db2.gz FAXQCEJUEITUNG-JMDAGXMHSA-N 2 1 352.482 1.907 20 30 FDEDMP CN1CC[NH+](Cc2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)CC1 ZINC000884234161 983008405 /nfs/dbraw/zinc/00/84/05/983008405.db2.gz JZFQLKHVCTYHCB-IDYZSHNDSA-N 2 1 367.497 1.512 20 30 FDEDMP C=CCC1(O)CC[NH+](CC2(C[NH+]3CCC(O)(CC=C)CC3)COC2)CC1 ZINC000886776986 986579387 /nfs/dbraw/zinc/57/93/87/986579387.db2.gz VEEXGDRBFIOBEZ-UHFFFAOYSA-N 2 1 364.530 1.809 20 30 FDEDMP C[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000363667893 989383272 /nfs/dbraw/zinc/38/32/72/989383272.db2.gz AASIOEPKLSELPQ-FXAWDEMLSA-N 2 1 372.513 1.398 20 30 FDEDMP C#Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000364735851 989750650 /nfs/dbraw/zinc/75/06/50/989750650.db2.gz GJOXGRRCTZYAES-LJQANCHMSA-N 2 1 368.481 1.233 20 30 FDEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876775173 992900046 /nfs/dbraw/zinc/90/00/46/992900046.db2.gz QBGCANQLWPOFOQ-FXAWDEMLSA-N 2 1 352.482 1.935 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979320 992994277 /nfs/dbraw/zinc/99/42/77/992994277.db2.gz AZWLQJFVHGCURQ-FXAWDEMLSA-N 2 1 352.482 1.983 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cncc(C)c1 ZINC001095556516 993446737 /nfs/dbraw/zinc/44/67/37/993446737.db2.gz WDEJXSXGRJEZGT-FYQPLNBISA-N 2 1 352.482 1.709 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cncc(C)c1 ZINC001095556516 993446748 /nfs/dbraw/zinc/44/67/48/993446748.db2.gz WDEJXSXGRJEZGT-FYQPLNBISA-N 2 1 352.482 1.709 20 30 FDEDMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000878057178 993663840 /nfs/dbraw/zinc/66/38/40/993663840.db2.gz YZEWVWVLZYBGBZ-UHFFFAOYSA-N 2 1 356.470 1.612 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000469793044 993882282 /nfs/dbraw/zinc/88/22/82/993882282.db2.gz BIUTYHGJRPVFQT-XLIONFOSSA-N 2 1 372.513 1.901 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@H](C)C1 ZINC000469793044 993882301 /nfs/dbraw/zinc/88/23/01/993882301.db2.gz BIUTYHGJRPVFQT-XLIONFOSSA-N 2 1 372.513 1.901 20 30 FDEDMP COCC[N@@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC[NH+](C)CC1 ZINC000879123982 994556454 /nfs/dbraw/zinc/55/64/54/994556454.db2.gz OFLBUHXAKNWLCV-UHFFFAOYSA-N 2 1 362.474 1.997 20 30 FDEDMP COCC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC1CC[NH+](C)CC1 ZINC000879123982 994556467 /nfs/dbraw/zinc/55/64/67/994556467.db2.gz OFLBUHXAKNWLCV-UHFFFAOYSA-N 2 1 362.474 1.997 20 30 FDEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000887134470 996961071 /nfs/dbraw/zinc/96/10/71/996961071.db2.gz KFTVFOVWPCQKAH-VQIMIIECSA-N 2 1 352.438 1.904 20 30 FDEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000887134470 996961075 /nfs/dbraw/zinc/96/10/75/996961075.db2.gz KFTVFOVWPCQKAH-VQIMIIECSA-N 2 1 352.438 1.904 20 30 FDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCC[NH+]1CCOCC1 ZINC000263947153 997363666 /nfs/dbraw/zinc/36/36/66/997363666.db2.gz WHGWYKRESRZDNU-UHFFFAOYSA-N 2 1 372.513 1.951 20 30 FDEDMP C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000264084690 997399471 /nfs/dbraw/zinc/39/94/71/997399471.db2.gz IVELHLMETWSRNH-KRWDZBQOSA-N 2 1 359.518 1.060 20 30 FDEDMP C[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000264084690 997399478 /nfs/dbraw/zinc/39/94/78/997399478.db2.gz IVELHLMETWSRNH-KRWDZBQOSA-N 2 1 359.518 1.060 20 30 FDEDMP COc1ccc(NC(=[NH2+])NCc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000264092862 997401535 /nfs/dbraw/zinc/40/15/35/997401535.db2.gz LNPJOMVEIPXGEK-UHFFFAOYSA-N 2 1 354.458 1.769 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@](O)(c1ccccc1)C(F)(F)F ZINC000264242015 997434717 /nfs/dbraw/zinc/43/47/17/997434717.db2.gz FJGJAUXPSXLCEH-MRXNPFEDSA-N 2 1 374.407 1.063 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405526 999554368 /nfs/dbraw/zinc/55/43/68/999554368.db2.gz GNQZTYYPASNKFS-QZTJIDSGSA-N 2 1 357.502 1.424 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1cccc(C#N)c1 ZINC001111277131 1002469925 /nfs/dbraw/zinc/46/99/25/1002469925.db2.gz CBYPCKMHMIUCMC-QRVBRYPASA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483403 1004200207 /nfs/dbraw/zinc/20/02/07/1004200207.db2.gz CETLYIUPBODHDD-CYBMUJFWSA-N 2 1 364.877 1.927 20 30 FDEDMP N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCN2CCOCC2)C3)cc1 ZINC001111152577 1006483078 /nfs/dbraw/zinc/48/30/78/1006483078.db2.gz ZOSZJLVQPVAKNY-AQNXPRMDSA-N 2 1 368.481 1.502 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230931 1006987122 /nfs/dbraw/zinc/98/71/22/1006987122.db2.gz ZACSYRXZWWNHOP-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230931 1006987125 /nfs/dbraw/zinc/98/71/25/1006987125.db2.gz ZACSYRXZWWNHOP-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111230931 1006987129 /nfs/dbraw/zinc/98/71/29/1006987129.db2.gz ZACSYRXZWWNHOP-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111230931 1006987132 /nfs/dbraw/zinc/98/71/32/1006987132.db2.gz ZACSYRXZWWNHOP-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000647028761 1009403892 /nfs/dbraw/zinc/40/38/92/1009403892.db2.gz ICFJOVJIMJQCFT-QGZVFWFLSA-N 2 1 350.507 1.086 20 30 FDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])Nc2cc(OC)ccc2OC)CC1 ZINC000303901152 1009684392 /nfs/dbraw/zinc/68/43/92/1009684392.db2.gz XEWAYYSVBWAQJP-OAHLLOKOSA-N 2 1 363.506 1.704 20 30 FDEDMP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000303903367 1009685620 /nfs/dbraw/zinc/68/56/20/1009685620.db2.gz UJRJRMSYMZKRFT-HOTGVXAUSA-N 2 1 367.538 1.974 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415974 1012433697 /nfs/dbraw/zinc/43/36/97/1012433697.db2.gz CTUOLQVEGXMRFP-MANSERQUSA-N 2 1 374.529 1.112 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415974 1012433708 /nfs/dbraw/zinc/43/37/08/1012433708.db2.gz CTUOLQVEGXMRFP-MANSERQUSA-N 2 1 374.529 1.112 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000553326670 543610052 /nfs/dbraw/zinc/61/00/52/543610052.db2.gz BIOPKOLLJVXTFO-HZPDHXFCSA-N 2 1 350.507 1.084 20 30 FDEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080839308 523910077 /nfs/dbraw/zinc/91/00/77/523910077.db2.gz WPGMHJRASWFIRP-IBGZPJMESA-N 2 1 359.518 1.278 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000080839308 523910083 /nfs/dbraw/zinc/91/00/83/523910083.db2.gz WPGMHJRASWFIRP-IBGZPJMESA-N 3 1 359.518 1.278 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080839308 523910087 /nfs/dbraw/zinc/91/00/87/523910087.db2.gz WPGMHJRASWFIRP-IBGZPJMESA-N 3 1 359.518 1.278 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961392 524492355 /nfs/dbraw/zinc/49/23/55/524492355.db2.gz ZPXZEDCDCYKGFS-IBGZPJMESA-N 2 1 350.507 1.618 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCOc3ccccc3C#N)CC2)CC1 ZINC000109789354 526182728 /nfs/dbraw/zinc/18/27/28/526182728.db2.gz VWNBLOFANWIKQK-UHFFFAOYSA-N 2 1 370.497 1.813 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCCCC2)nc1 ZINC000264151996 537138595 /nfs/dbraw/zinc/13/85/95/537138595.db2.gz ZLOMTERCGRRYQD-UHFFFAOYSA-N 2 1 360.506 1.199 20 30 FDEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000247741385 537147504 /nfs/dbraw/zinc/14/75/04/537147504.db2.gz NTBBSZLRRLLQAN-UZLBHIALSA-N 2 1 370.497 1.688 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274850737 537534038 /nfs/dbraw/zinc/53/40/38/537534038.db2.gz QWCOQUAIVAKXKM-XYJFISCASA-N 2 1 358.486 1.887 20 30 FDEDMP CC[NH+]1CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593508068 552119059 /nfs/dbraw/zinc/11/90/59/552119059.db2.gz CSBCDXMSLJHWSG-UHFFFAOYSA-N 2 1 355.486 1.870 20 30 FDEDMP N#Cc1ccc(CC[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892610 552629525 /nfs/dbraw/zinc/62/95/25/552629525.db2.gz NRCWGKFBOVLVMC-RTBURBONSA-N 2 1 353.470 1.321 20 30 FDEDMP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000600736844 553309167 /nfs/dbraw/zinc/30/91/67/553309167.db2.gz SWMUYUXVFJXBQA-WOJBJXKFSA-N 2 1 373.497 1.414 20 30 FDEDMP C=C(CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620748103 555978738 /nfs/dbraw/zinc/97/87/38/555978738.db2.gz LPXOHNCYYZCJRC-XLAORIBOSA-N 2 1 364.534 1.521 20 30 FDEDMP C[NH+]=C(NCC1(N(C)C)CCOCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000088481414 671489101 /nfs/dbraw/zinc/48/91/01/671489101.db2.gz CWBXMRVFIJTSOP-QGZVFWFLSA-N 2 1 351.539 1.233 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000104156674 671594335 /nfs/dbraw/zinc/59/43/35/671594335.db2.gz QICNNKZRYJTMBF-HNNXBMFYSA-N 2 1 353.511 1.776 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)NCC1(N2CCOCC2)CCCCC1 ZINC000262943935 672855595 /nfs/dbraw/zinc/85/55/95/672855595.db2.gz AJGXKBFBDXHMQV-KRWDZBQOSA-N 2 1 351.539 1.138 20 30 FDEDMP CN(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000264067829 672899866 /nfs/dbraw/zinc/89/98/66/672899866.db2.gz FHHQPXFWOLZBOF-QGZVFWFLSA-N 2 1 351.470 1.055 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Br)c(F)c1 ZINC000264078006 672900145 /nfs/dbraw/zinc/90/01/45/672900145.db2.gz GIGCTATURFTJJE-UHFFFAOYSA-N 2 1 373.270 1.715 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccs1)N1CCOCC1 ZINC000264085741 672900640 /nfs/dbraw/zinc/90/06/40/672900640.db2.gz JQNYZZNFHUQCCA-HZPDHXFCSA-N 2 1 365.547 1.510 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)ccc1OC ZINC000264083943 672900734 /nfs/dbraw/zinc/90/07/34/672900734.db2.gz IHQKOPGYIGUTEH-CJNGLKHVSA-N 2 1 350.463 1.126 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC(F)(F)F)nc1 ZINC000303894065 676543751 /nfs/dbraw/zinc/54/37/51/676543751.db2.gz OOYWNXJYZXVFOB-CYBMUJFWSA-N 2 1 359.396 1.911 20 30 FDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000303975499 676543973 /nfs/dbraw/zinc/54/39/73/676543973.db2.gz JCDFODAZEGLUKE-OAHLLOKOSA-N 2 1 350.463 1.219 20 30 FDEDMP COc1cccc(OCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000304740939 676544135 /nfs/dbraw/zinc/54/41/35/676544135.db2.gz BYGCILNPPPZBIW-UHFFFAOYSA-N 2 1 350.463 1.091 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](c1c(F)cccc1F)N(C)C ZINC000304749673 676544279 /nfs/dbraw/zinc/54/42/79/676544279.db2.gz HWZUJSIFOAXDON-XJKSGUPXSA-N 2 1 353.461 1.956 20 30 FDEDMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000329128042 676621731 /nfs/dbraw/zinc/62/17/31/676621731.db2.gz VDDZSCXBEFEDND-IAGOWNOFSA-N 2 1 350.507 1.762 20 30 FDEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330249050 676680839 /nfs/dbraw/zinc/68/08/39/676680839.db2.gz ZQYGUUPAJCTXRO-DDBAPUKQSA-N 2 1 350.507 1.447 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)CC#N ZINC000451147767 682827846 /nfs/dbraw/zinc/82/78/46/682827846.db2.gz SLGRUTBBJAXMHO-INIZCTEOSA-N 2 1 358.552 1.604 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)CC#N ZINC000451147767 682827850 /nfs/dbraw/zinc/82/78/50/682827850.db2.gz SLGRUTBBJAXMHO-INIZCTEOSA-N 2 1 358.552 1.604 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)C(C)C ZINC000457744624 683783458 /nfs/dbraw/zinc/78/34/58/683783458.db2.gz KSYMHDBZZVOWCZ-ROUUACIJSA-N 2 1 352.523 1.393 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)C(C)C ZINC000457744624 683783461 /nfs/dbraw/zinc/78/34/61/683783461.db2.gz KSYMHDBZZVOWCZ-ROUUACIJSA-N 2 1 352.523 1.393 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104264828 772581015 /nfs/dbraw/zinc/58/10/15/772581015.db2.gz GWVLMGNKJWHMGG-KURKYZTESA-N 2 1 364.534 1.237 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971561564 777630684 /nfs/dbraw/zinc/63/06/84/777630684.db2.gz XNPGNZOMYHTITF-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971561564 777630687 /nfs/dbraw/zinc/63/06/87/777630687.db2.gz XNPGNZOMYHTITF-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971561564 777630690 /nfs/dbraw/zinc/63/06/90/777630690.db2.gz XNPGNZOMYHTITF-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971561564 777630695 /nfs/dbraw/zinc/63/06/95/777630695.db2.gz XNPGNZOMYHTITF-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)CC1 ZINC000458316821 780941269 /nfs/dbraw/zinc/94/12/69/780941269.db2.gz HXCSWNTWDOCWJI-UHFFFAOYSA-N 2 1 365.566 1.742 20 30 FDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235322 781323686 /nfs/dbraw/zinc/32/36/86/781323686.db2.gz YFQUDDWOJCADDL-ZWKOTPCHSA-N 2 1 353.426 1.369 20 30 FDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235322 781323691 /nfs/dbraw/zinc/32/36/91/781323691.db2.gz YFQUDDWOJCADDL-ZWKOTPCHSA-N 2 1 353.426 1.369 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765950 805752293 /nfs/dbraw/zinc/75/22/93/805752293.db2.gz ZHSSYEHLOIFCIX-XKRYSZRTSA-N 2 1 351.494 1.649 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765950 805752298 /nfs/dbraw/zinc/75/22/98/805752298.db2.gz ZHSSYEHLOIFCIX-XKRYSZRTSA-N 2 1 351.494 1.649 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978765950 805752304 /nfs/dbraw/zinc/75/23/04/805752304.db2.gz ZHSSYEHLOIFCIX-XKRYSZRTSA-N 2 1 351.494 1.649 20 30 FDEDMP C=CCN1CC[C@@H]([NH2+]CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)C1=O ZINC001105067292 795130491 /nfs/dbraw/zinc/13/04/91/795130491.db2.gz VOBNBECTZQAEGG-KZNAEPCWSA-N 2 1 364.534 1.188 20 30 FDEDMP CC[N@H+]1CCC[C@H](NC(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000330239017 795418591 /nfs/dbraw/zinc/41/85/91/795418591.db2.gz IBHCYWDPTDRRIQ-FPOVZHCZSA-N 2 1 374.529 1.954 20 30 FDEDMP CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000330239017 795418593 /nfs/dbraw/zinc/41/85/93/795418593.db2.gz IBHCYWDPTDRRIQ-FPOVZHCZSA-N 2 1 374.529 1.954 20 30 FDEDMP CC[NH+]1CCC[C@H](NC(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000330239017 795418599 /nfs/dbraw/zinc/41/85/99/795418599.db2.gz IBHCYWDPTDRRIQ-FPOVZHCZSA-N 2 1 374.529 1.954 20 30 FDEDMP C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083129026 806529638 /nfs/dbraw/zinc/52/96/38/806529638.db2.gz TZHPPPFWRUPAPO-QGZVFWFLSA-N 2 1 363.550 1.423 20 30 FDEDMP C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083129026 806529646 /nfs/dbraw/zinc/52/96/46/806529646.db2.gz TZHPPPFWRUPAPO-QGZVFWFLSA-N 2 1 363.550 1.423 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[NH+]1C ZINC000978186831 805275150 /nfs/dbraw/zinc/27/51/50/805275150.db2.gz XLUZNUNWFOXXQJ-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[NH+]1C ZINC000978186831 805275160 /nfs/dbraw/zinc/27/51/60/805275160.db2.gz XLUZNUNWFOXXQJ-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261693043 811298940 /nfs/dbraw/zinc/29/89/40/811298940.db2.gz FIEOUEGAYIPJBK-YOEHRIQHSA-N 2 1 353.474 1.415 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000984011323 820517768 /nfs/dbraw/zinc/51/77/68/820517768.db2.gz CBZDWFAIFPTUTF-UTRMSSBJSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000984011323 820517769 /nfs/dbraw/zinc/51/77/69/820517769.db2.gz CBZDWFAIFPTUTF-UTRMSSBJSA-N 2 1 356.470 1.262 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C(F)(F)F ZINC001112166204 821695829 /nfs/dbraw/zinc/69/58/29/821695829.db2.gz JHQGRYBFXUSSFQ-NUEKZKHPSA-N 2 1 368.403 1.756 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2CC)C1=O ZINC001087711862 822163927 /nfs/dbraw/zinc/16/39/27/822163927.db2.gz BFHRVONDYLUHCW-RCCFBDPRSA-N 2 1 362.518 1.084 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001087908491 823745174 /nfs/dbraw/zinc/74/51/74/823745174.db2.gz DTYODQFUCIVSQP-VKJFTORMSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001087908491 823745177 /nfs/dbraw/zinc/74/51/77/823745177.db2.gz DTYODQFUCIVSQP-VKJFTORMSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001087908491 823745179 /nfs/dbraw/zinc/74/51/79/823745179.db2.gz DTYODQFUCIVSQP-VKJFTORMSA-N 2 1 358.511 1.994 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001087909067 823752916 /nfs/dbraw/zinc/75/29/16/823752916.db2.gz XGBJCABXILZLQU-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001087909067 823752922 /nfs/dbraw/zinc/75/29/22/823752922.db2.gz XGBJCABXILZLQU-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3C#N)CC[C@@H]2C1 ZINC001087909067 823752924 /nfs/dbraw/zinc/75/29/24/823752924.db2.gz XGBJCABXILZLQU-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000329372620 824759214 /nfs/dbraw/zinc/75/92/14/824759214.db2.gz JMFYSUCTYXUVGF-XMTFNYHQSA-N 2 1 366.550 1.940 20 30 FDEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329372620 824759220 /nfs/dbraw/zinc/75/92/20/824759220.db2.gz JMFYSUCTYXUVGF-XMTFNYHQSA-N 2 1 366.550 1.940 20 30 FDEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329372620 824759223 /nfs/dbraw/zinc/75/92/23/824759223.db2.gz JMFYSUCTYXUVGF-XMTFNYHQSA-N 2 1 366.550 1.940 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992471 824954147 /nfs/dbraw/zinc/95/41/47/824954147.db2.gz XHGLPQPRUPWDDL-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992471 824954153 /nfs/dbraw/zinc/95/41/53/824954153.db2.gz XHGLPQPRUPWDDL-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992471 824954157 /nfs/dbraw/zinc/95/41/57/824954157.db2.gz XHGLPQPRUPWDDL-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCOCC3)CC[C@@H]2C1 ZINC001087997982 825074877 /nfs/dbraw/zinc/07/48/77/825074877.db2.gz KZLDMHZDDMZENP-AABGKKOBSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CCOCC3)CC[C@@H]2C1 ZINC001087997982 825074884 /nfs/dbraw/zinc/07/48/84/825074884.db2.gz KZLDMHZDDMZENP-AABGKKOBSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CCOCC3)CC[C@@H]2C1 ZINC001087997982 825074890 /nfs/dbraw/zinc/07/48/90/825074890.db2.gz KZLDMHZDDMZENP-AABGKKOBSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CCOCC3)CC[C@@H]2C1 ZINC001087997982 825074894 /nfs/dbraw/zinc/07/48/94/825074894.db2.gz KZLDMHZDDMZENP-AABGKKOBSA-N 2 1 359.514 1.291 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262404584 826376910 /nfs/dbraw/zinc/37/69/10/826376910.db2.gz OISQNFZHJDAYKE-FJIDUMEYSA-N 2 1 364.534 1.420 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4conc4C)CC[C@@H]3C2)CC1 ZINC001088212102 827494001 /nfs/dbraw/zinc/49/40/01/827494001.db2.gz PSEKFMPJDFQETJ-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179086590 827916307 /nfs/dbraw/zinc/91/63/07/827916307.db2.gz VKQYGDBDUMCGSC-KRWDZBQOSA-N 2 1 362.522 1.157 20 30 FDEDMP CC[NH+]=C(NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000263108235 832413004 /nfs/dbraw/zinc/41/30/04/832413004.db2.gz DCOWQEYVJLSZQT-CALCHBBNSA-N 2 1 365.566 1.873 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105666705 843296899 /nfs/dbraw/zinc/29/68/99/843296899.db2.gz IMAJKJAXRWGJHP-JYBIWHBTSA-N 2 1 351.535 1.870 20 30 FDEDMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076572894 848445453 /nfs/dbraw/zinc/44/54/53/848445453.db2.gz HNVQFPCWLJKFKG-AZUAARDMSA-N 2 1 355.457 1.806 20 30 FDEDMP O=C(C[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21 ZINC001076572894 848445460 /nfs/dbraw/zinc/44/54/60/848445460.db2.gz HNVQFPCWLJKFKG-AZUAARDMSA-N 2 1 355.457 1.806 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000669032121 860844622 /nfs/dbraw/zinc/84/46/22/860844622.db2.gz AXEBRRURQXELOS-MLHJIOFPSA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC000669032121 860844637 /nfs/dbraw/zinc/84/46/37/860844637.db2.gz AXEBRRURQXELOS-MLHJIOFPSA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C ZINC000669032121 860844647 /nfs/dbraw/zinc/84/46/47/860844647.db2.gz AXEBRRURQXELOS-MLHJIOFPSA-N 2 1 374.533 1.919 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001105974251 864296381 /nfs/dbraw/zinc/29/63/81/864296381.db2.gz SLZPZFFOJOFSQZ-RLLQIKCJSA-N 2 1 355.482 1.053 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001105974251 864296396 /nfs/dbraw/zinc/29/63/96/864296396.db2.gz SLZPZFFOJOFSQZ-RLLQIKCJSA-N 2 1 355.482 1.053 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000916658568 882003350 /nfs/dbraw/zinc/00/33/50/882003350.db2.gz SJCMMTBQGJZAMP-FQEVSTJZSA-N 2 1 368.525 1.948 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571424 875985281 /nfs/dbraw/zinc/98/52/81/875985281.db2.gz ZWKWDCGMAQKMDU-KZNAEPCWSA-N 2 1 364.534 1.095 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+](C)CCCC[NH+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000282112534 876961479 /nfs/dbraw/zinc/96/14/79/876961479.db2.gz XCBRHFAVDFQVEC-HDICACEKSA-N 2 1 362.518 1.204 20 30 FDEDMP C=CCN1CC[C@@H]([NH+](C)CCCC[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000282112534 876961481 /nfs/dbraw/zinc/96/14/81/876961481.db2.gz XCBRHFAVDFQVEC-HDICACEKSA-N 2 1 362.518 1.204 20 30 FDEDMP C=CCN1CC[C@@H]([NH+](C)CCCC[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000282112534 876961487 /nfs/dbraw/zinc/96/14/87/876961487.db2.gz XCBRHFAVDFQVEC-HDICACEKSA-N 2 1 362.518 1.204 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923401460 889139794 /nfs/dbraw/zinc/13/97/94/889139794.db2.gz NHYVOUPBGVTBIR-LZWOXQAQSA-N 2 1 357.376 1.757 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000923401460 889139806 /nfs/dbraw/zinc/13/98/06/889139806.db2.gz NHYVOUPBGVTBIR-LZWOXQAQSA-N 2 1 357.376 1.757 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000923556436 889813046 /nfs/dbraw/zinc/81/30/46/889813046.db2.gz XCJMLQYTYGCDSN-UFYCRDLUSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000923556436 889813053 /nfs/dbraw/zinc/81/30/53/889813053.db2.gz XCJMLQYTYGCDSN-UFYCRDLUSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000923556436 889813058 /nfs/dbraw/zinc/81/30/58/889813058.db2.gz XCJMLQYTYGCDSN-UFYCRDLUSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000923556436 889813064 /nfs/dbraw/zinc/81/30/64/889813064.db2.gz XCJMLQYTYGCDSN-UFYCRDLUSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cccc(C)c3)C[C@H]2O)CC1 ZINC001078227190 898428968 /nfs/dbraw/zinc/42/89/68/898428968.db2.gz NHZGPJZELYGYNW-IOMROCGXSA-N 2 1 369.509 1.563 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1 ZINC001107008926 899484497 /nfs/dbraw/zinc/48/44/97/899484497.db2.gz CPWNEBPACHIYIG-NRSPTQNISA-N 2 1 369.509 1.443 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]CC#Cc3ccccc3)[C@H](C)C2)C1 ZINC001107008926 899484504 /nfs/dbraw/zinc/48/45/04/899484504.db2.gz CPWNEBPACHIYIG-NRSPTQNISA-N 2 1 369.509 1.443 20 30 FDEDMP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079147060 901971921 /nfs/dbraw/zinc/97/19/21/901971921.db2.gz UVQKSEIXRJZMSV-XUVXKRRUSA-N 2 1 355.482 1.035 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079147060 901971925 /nfs/dbraw/zinc/97/19/25/901971925.db2.gz UVQKSEIXRJZMSV-XUVXKRRUSA-N 2 1 355.482 1.035 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079147060 901971933 /nfs/dbraw/zinc/97/19/33/901971933.db2.gz UVQKSEIXRJZMSV-XUVXKRRUSA-N 2 1 355.482 1.035 20 30 FDEDMP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079134836 901999181 /nfs/dbraw/zinc/99/91/81/901999181.db2.gz UQJGPGJJGKMRKH-NJDAHSKKSA-N 2 1 367.493 1.035 20 30 FDEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079134836 901999184 /nfs/dbraw/zinc/99/91/84/901999184.db2.gz UQJGPGJJGKMRKH-NJDAHSKKSA-N 2 1 367.493 1.035 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726466 903146689 /nfs/dbraw/zinc/14/66/89/903146689.db2.gz XDYUUIWOJRVXQT-XNFNUYLZSA-N 2 1 370.497 1.866 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726466 903146695 /nfs/dbraw/zinc/14/66/95/903146695.db2.gz XDYUUIWOJRVXQT-XNFNUYLZSA-N 2 1 370.497 1.866 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726466 903146701 /nfs/dbraw/zinc/14/67/01/903146701.db2.gz XDYUUIWOJRVXQT-XNFNUYLZSA-N 2 1 370.497 1.866 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080441460 905439613 /nfs/dbraw/zinc/43/96/13/905439613.db2.gz MIAKOLWKESTCRY-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001080441460 905439629 /nfs/dbraw/zinc/43/96/29/905439629.db2.gz MIAKOLWKESTCRY-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001080441460 905439638 /nfs/dbraw/zinc/43/96/38/905439638.db2.gz MIAKOLWKESTCRY-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001080441460 905439647 /nfs/dbraw/zinc/43/96/47/905439647.db2.gz MIAKOLWKESTCRY-GPMSIDNRSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)CC1 ZINC001080997603 906970736 /nfs/dbraw/zinc/97/07/36/906970736.db2.gz GPDIWGAPAVIMMB-DENIHFKCSA-N 2 1 363.505 1.820 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)CC1 ZINC001080997603 906970738 /nfs/dbraw/zinc/97/07/38/906970738.db2.gz GPDIWGAPAVIMMB-DENIHFKCSA-N 2 1 363.505 1.820 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1ccccc1 ZINC001081170984 907293791 /nfs/dbraw/zinc/29/37/91/907293791.db2.gz YBYZVPGWLMMWAW-SESVDKBCSA-N 2 1 362.477 1.971 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001082567911 908705118 /nfs/dbraw/zinc/70/51/18/908705118.db2.gz KVJWXJFZLPYZOO-YSGRDPCXSA-N 2 1 368.456 1.731 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001082567911 908705122 /nfs/dbraw/zinc/70/51/22/908705122.db2.gz KVJWXJFZLPYZOO-YSGRDPCXSA-N 2 1 368.456 1.731 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001082741824 909941316 /nfs/dbraw/zinc/94/13/16/909941316.db2.gz DUHKZXKRTHMHIC-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000998796535 911697205 /nfs/dbraw/zinc/69/72/05/911697205.db2.gz PQUZNJJJMNRKGQ-YOODTLSXSA-N 2 1 370.497 1.986 20 30 FDEDMP CCN(CCO)c1ccc(C=[NH+]NC(=S)NCCC[NH+](C)C)c(C)c1 ZINC000731928842 918848558 /nfs/dbraw/zinc/84/85/58/918848558.db2.gz PJEQGVLYUCBCEP-UHFFFAOYSA-N 2 1 365.547 1.563 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccc(C#N)s4)[C@H]3C2)C1 ZINC001085092801 920807878 /nfs/dbraw/zinc/80/78/78/920807878.db2.gz QSSXBPAJIFXERC-RKVPGOIHSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccc(C#N)s4)[C@H]3C2)C1 ZINC001085092801 920807887 /nfs/dbraw/zinc/80/78/87/920807887.db2.gz QSSXBPAJIFXERC-RKVPGOIHSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)[C@H]3C2)C1 ZINC001085092801 920807902 /nfs/dbraw/zinc/80/79/02/920807902.db2.gz QSSXBPAJIFXERC-RKVPGOIHSA-N 2 1 358.511 1.994 20 30 FDEDMP C=CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC=C)C(C)C)CC1)C(C)C ZINC000771790656 930891515 /nfs/dbraw/zinc/89/15/15/930891515.db2.gz FILCSLSCVVGKPL-UHFFFAOYSA-N 2 1 364.534 1.450 20 30 FDEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686166 938485283 /nfs/dbraw/zinc/48/52/83/938485283.db2.gz YGLNQCAXZIZYPI-SQNIBIBYSA-N 2 1 362.522 1.684 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129856166 938529018 /nfs/dbraw/zinc/52/90/18/938529018.db2.gz ZGPAHOKJAHALMC-MKXGPGLRSA-N 2 1 374.533 1.706 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130611113 939908757 /nfs/dbraw/zinc/90/87/57/939908757.db2.gz YNNHLQIMVBHVMU-ZIFCJYIRSA-N 2 1 357.502 1.202 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cn(C)cn1 ZINC001130649806 939944924 /nfs/dbraw/zinc/94/49/24/939944924.db2.gz UBEZYQXSQFOMSU-WSTZPKSXSA-N 2 1 371.529 1.449 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672369 939971424 /nfs/dbraw/zinc/97/14/24/939971424.db2.gz OTYMTQOBZRFIMH-JENIJYKNSA-N 2 1 359.518 1.755 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131070168 940484301 /nfs/dbraw/zinc/48/43/01/940484301.db2.gz JCOWEOXLMRDBGO-KZNAEPCWSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC001086720797 941620033 /nfs/dbraw/zinc/62/00/33/941620033.db2.gz OPNUYYCIFGUDJL-BBWFWOEESA-N 2 1 360.527 1.924 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC001086720797 941620040 /nfs/dbraw/zinc/62/00/40/941620040.db2.gz OPNUYYCIFGUDJL-BBWFWOEESA-N 2 1 360.527 1.924 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090874828 947484038 /nfs/dbraw/zinc/48/40/38/947484038.db2.gz UIDHITLUEKQBJE-VQTJNVASSA-N 2 1 355.482 1.697 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001086880889 952911477 /nfs/dbraw/zinc/91/14/77/952911477.db2.gz UNQCBXYMMAZZQE-XUVXKRRUSA-N 2 1 370.497 1.653 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001086880889 952911482 /nfs/dbraw/zinc/91/14/82/952911482.db2.gz UNQCBXYMMAZZQE-XUVXKRRUSA-N 2 1 370.497 1.653 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985917 953004531 /nfs/dbraw/zinc/00/45/31/953004531.db2.gz LEAGLLJMPJANPK-IPMKNSEASA-N 2 1 359.518 1.611 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4coc(C)n4)C[C@@]3(C)C2)CC1 ZINC001092299551 954745242 /nfs/dbraw/zinc/74/52/42/954745242.db2.gz AZUYBRKFDOLPEZ-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4coc(C)n4)C[C@@]3(C)C2)CC1 ZINC001092299551 954745251 /nfs/dbraw/zinc/74/52/51/954745251.db2.gz AZUYBRKFDOLPEZ-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092610944 955667877 /nfs/dbraw/zinc/66/78/77/955667877.db2.gz AIIXKEXBLRPAIX-WQVCFCJDSA-N 2 1 370.335 1.921 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC001092610944 955667882 /nfs/dbraw/zinc/66/78/82/955667882.db2.gz AIIXKEXBLRPAIX-WQVCFCJDSA-N 2 1 370.335 1.921 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cn(C)nc2C)C[C@H]1C ZINC001092689631 956197541 /nfs/dbraw/zinc/19/75/41/956197541.db2.gz OYQXQSXWMPSEBD-SUMDDJOVSA-N 2 1 357.502 1.010 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cn(C)nc2C)C[C@H]1C ZINC001092689631 956197544 /nfs/dbraw/zinc/19/75/44/956197544.db2.gz OYQXQSXWMPSEBD-SUMDDJOVSA-N 2 1 357.502 1.010 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1C ZINC001092689631 956197548 /nfs/dbraw/zinc/19/75/48/956197548.db2.gz OYQXQSXWMPSEBD-SUMDDJOVSA-N 2 1 357.502 1.010 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cn(C)nc2C)C[C@H]1C ZINC001092689631 956197551 /nfs/dbraw/zinc/19/75/51/956197551.db2.gz OYQXQSXWMPSEBD-SUMDDJOVSA-N 2 1 357.502 1.010 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842628 956471765 /nfs/dbraw/zinc/47/17/65/956471765.db2.gz HUIGWRRXZKRICH-YDZJUHGASA-N 2 1 353.894 1.286 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842628 956471769 /nfs/dbraw/zinc/47/17/69/956471769.db2.gz HUIGWRRXZKRICH-YDZJUHGASA-N 2 1 353.894 1.286 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842628 956471775 /nfs/dbraw/zinc/47/17/75/956471775.db2.gz HUIGWRRXZKRICH-YDZJUHGASA-N 2 1 353.894 1.286 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093690749 958550141 /nfs/dbraw/zinc/55/01/41/958550141.db2.gz DOQFNXISNXETCV-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093690749 958550154 /nfs/dbraw/zinc/55/01/54/958550154.db2.gz DOQFNXISNXETCV-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)cn2)[C@H](C)C1 ZINC001093832951 958927067 /nfs/dbraw/zinc/92/70/67/958927067.db2.gz KMAYHEMTLZAYDX-KURKYZTESA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)cn2)[C@H](C)C1 ZINC001093832951 958927072 /nfs/dbraw/zinc/92/70/72/958927072.db2.gz KMAYHEMTLZAYDX-KURKYZTESA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC001093833008 958927396 /nfs/dbraw/zinc/92/73/96/958927396.db2.gz MRKAUISORVKKIS-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC001093833008 958927403 /nfs/dbraw/zinc/92/74/03/958927403.db2.gz MRKAUISORVKKIS-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC12CCOCC2 ZINC001186403044 964474280 /nfs/dbraw/zinc/47/42/80/964474280.db2.gz ZPTAQSOEYGUMEE-GVDBMIGSSA-N 2 1 356.470 1.381 20 30 FDEDMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852872656 967678888 /nfs/dbraw/zinc/67/88/88/967678888.db2.gz JQQXTVJIWOYUFH-UHFFFAOYSA-N 2 1 368.525 1.443 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384599 969671981 /nfs/dbraw/zinc/67/19/81/969671981.db2.gz OMPOKHWTIGPQDZ-NUEKZKHPSA-N 2 1 351.516 1.939 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384599 969671984 /nfs/dbraw/zinc/67/19/84/969671984.db2.gz OMPOKHWTIGPQDZ-NUEKZKHPSA-N 2 1 351.516 1.939 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCO1 ZINC000775794168 972533161 /nfs/dbraw/zinc/53/31/61/972533161.db2.gz PVCHUSDYICZLCZ-RTWAWAEBSA-N 2 1 369.509 1.800 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCO1 ZINC000775794168 972533173 /nfs/dbraw/zinc/53/31/73/972533173.db2.gz PVCHUSDYICZLCZ-RTWAWAEBSA-N 2 1 369.509 1.800 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001110576457 975254869 /nfs/dbraw/zinc/25/48/69/975254869.db2.gz JIPIKTQYXOGNFP-NNIGNNQHSA-N 2 1 374.529 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001110576457 975254879 /nfs/dbraw/zinc/25/48/79/975254879.db2.gz JIPIKTQYXOGNFP-NNIGNNQHSA-N 2 1 374.529 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576457 975254887 /nfs/dbraw/zinc/25/48/87/975254887.db2.gz JIPIKTQYXOGNFP-NNIGNNQHSA-N 2 1 374.529 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001110576457 975254895 /nfs/dbraw/zinc/25/48/95/975254895.db2.gz JIPIKTQYXOGNFP-NNIGNNQHSA-N 2 1 374.529 1.249 20 30 FDEDMP C#C[C@@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000849051203 977293803 /nfs/dbraw/zinc/29/38/03/977293803.db2.gz ASWVROHSFGQCKH-MRXNPFEDSA-N 2 1 352.841 1.990 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000884072906 982822081 /nfs/dbraw/zinc/82/20/81/982822081.db2.gz STEGHFVVEDTVMM-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000884072906 982822101 /nfs/dbraw/zinc/82/21/01/982822101.db2.gz STEGHFVVEDTVMM-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)C1 ZINC000884152661 982931406 /nfs/dbraw/zinc/93/14/06/982931406.db2.gz QTMCOGZCAWKWOI-QYZOEREBSA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@H]2C)C1 ZINC000884152661 982931408 /nfs/dbraw/zinc/93/14/08/982931408.db2.gz QTMCOGZCAWKWOI-QYZOEREBSA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CCCOCC)C[C@H]2C)C1 ZINC000884152661 982931410 /nfs/dbraw/zinc/93/14/10/982931410.db2.gz QTMCOGZCAWKWOI-QYZOEREBSA-N 2 1 364.534 1.520 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](CCCOCC)C[C@H]2C)C1 ZINC000884152661 982931415 /nfs/dbraw/zinc/93/14/15/982931415.db2.gz QTMCOGZCAWKWOI-QYZOEREBSA-N 2 1 364.534 1.520 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@@H+](Cc3ccc(F)cc3)CC1)C2 ZINC000884182895 982959423 /nfs/dbraw/zinc/95/94/23/982959423.db2.gz XERPLIRGHRKNPB-WBTXTPOCSA-N 2 1 370.472 1.999 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@H+](Cc3ccc(F)cc3)CC1)C2 ZINC000884182895 982959424 /nfs/dbraw/zinc/95/94/24/982959424.db2.gz XERPLIRGHRKNPB-WBTXTPOCSA-N 2 1 370.472 1.999 20 30 FDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1CCc2ccccc2C1 ZINC000884205097 982980997 /nfs/dbraw/zinc/98/09/97/982980997.db2.gz MMEDHNVHBRGZPG-MMXVYOJRSA-N 2 1 352.482 1.689 20 30 FDEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000884308313 983072440 /nfs/dbraw/zinc/07/24/40/983072440.db2.gz LRQSVVBYNBTSOW-VQTJNVASSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000884308313 983072447 /nfs/dbraw/zinc/07/24/47/983072447.db2.gz LRQSVVBYNBTSOW-VQTJNVASSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000884308313 983072451 /nfs/dbraw/zinc/07/24/51/983072451.db2.gz LRQSVVBYNBTSOW-VQTJNVASSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000884308313 983072460 /nfs/dbraw/zinc/07/24/60/983072460.db2.gz LRQSVVBYNBTSOW-VQTJNVASSA-N 2 1 354.498 1.905 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000884308313 983072465 /nfs/dbraw/zinc/07/24/65/983072465.db2.gz LRQSVVBYNBTSOW-VQTJNVASSA-N 2 1 354.498 1.905 20 30 FDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C1 ZINC000372605610 991263372 /nfs/dbraw/zinc/26/33/72/991263372.db2.gz IWTXFHQVMPVKKI-SFHVURJKSA-N 2 1 355.486 1.599 20 30 FDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C1 ZINC000372605610 991263378 /nfs/dbraw/zinc/26/33/78/991263378.db2.gz IWTXFHQVMPVKKI-SFHVURJKSA-N 2 1 355.486 1.599 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000876780360 992906132 /nfs/dbraw/zinc/90/61/32/992906132.db2.gz FRGXDVBDNZPSEC-SFHVURJKSA-N 2 1 364.921 1.780 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000877199434 993099627 /nfs/dbraw/zinc/09/96/27/993099627.db2.gz RCFIKQDHIOMXKZ-IBGZPJMESA-N 2 1 362.437 1.188 20 30 FDEDMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000877229967 993121331 /nfs/dbraw/zinc/12/13/31/993121331.db2.gz UOPPJOLTGVDPNP-MOPGFXCFSA-N 2 1 358.486 1.723 20 30 FDEDMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000877229967 993121349 /nfs/dbraw/zinc/12/13/49/993121349.db2.gz UOPPJOLTGVDPNP-MOPGFXCFSA-N 2 1 358.486 1.723 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877229444 993121621 /nfs/dbraw/zinc/12/16/21/993121621.db2.gz MONHOXMAHCVHSI-IAGOWNOFSA-N 2 1 351.878 1.782 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877229444 993121623 /nfs/dbraw/zinc/12/16/23/993121623.db2.gz MONHOXMAHCVHSI-IAGOWNOFSA-N 2 1 351.878 1.782 20 30 FDEDMP C=CC[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000878118099 993722399 /nfs/dbraw/zinc/72/23/99/993722399.db2.gz FQVRNAWUAQYPGM-MRXNPFEDSA-N 2 1 353.507 1.520 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2ccc(C#N)cc2)O1 ZINC001095610820 993781108 /nfs/dbraw/zinc/78/11/08/993781108.db2.gz XBFCADNITFOMCX-JIKAWYKTSA-N 2 1 368.481 1.499 20 30 FDEDMP COCC[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)CC1CC[NH+](C)CC1 ZINC000879125709 994560024 /nfs/dbraw/zinc/56/00/24/994560024.db2.gz GPQYTMHRSWOOPW-GOSISDBHSA-N 2 1 353.507 1.348 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OC[C@H]1CCOC1 ZINC000287012953 999954065 /nfs/dbraw/zinc/95/40/65/999954065.db2.gz FWMCPPLLEXFEIY-DOTOQJQBSA-N 2 1 361.490 1.386 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000929890710 1002567127 /nfs/dbraw/zinc/56/71/27/1002567127.db2.gz GMUXKEXOXXSUQQ-UHFFFAOYSA-N 2 1 370.497 1.780 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)CN2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931292405 1004032315 /nfs/dbraw/zinc/03/23/15/1004032315.db2.gz KZMAEWWHJBAEHH-LJQANCHMSA-N 2 1 359.470 1.485 20 30 FDEDMP C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483679 1004199997 /nfs/dbraw/zinc/19/99/97/1004199997.db2.gz GKSLWELPGKMPJJ-HFCFLWKCSA-N 2 1 364.534 1.694 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147353 1006454155 /nfs/dbraw/zinc/45/41/55/1006454155.db2.gz XDTXAWVZJVJSLF-QRVBRYPASA-N 2 1 365.518 1.413 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001111147353 1006454158 /nfs/dbraw/zinc/45/41/58/1006454158.db2.gz XDTXAWVZJVJSLF-QRVBRYPASA-N 2 1 365.518 1.413 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[N@@H+]1C ZINC000959968519 1009227533 /nfs/dbraw/zinc/22/75/33/1009227533.db2.gz SDVSARPVFBHCNB-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[N@H+]1C ZINC000959968519 1009227543 /nfs/dbraw/zinc/22/75/43/1009227543.db2.gz SDVSARPVFBHCNB-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[NH+]1C ZINC000959968519 1009227556 /nfs/dbraw/zinc/22/75/56/1009227556.db2.gz SDVSARPVFBHCNB-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[NH+]1C ZINC000959968519 1009227568 /nfs/dbraw/zinc/22/75/68/1009227568.db2.gz SDVSARPVFBHCNB-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[N@@H+]1C ZINC000959968425 1009227729 /nfs/dbraw/zinc/22/77/29/1009227729.db2.gz RNBBSURIIMANCC-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[N@H+]1C ZINC000959968425 1009227737 /nfs/dbraw/zinc/22/77/37/1009227737.db2.gz RNBBSURIIMANCC-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[NH+]1C ZINC000959968425 1009227747 /nfs/dbraw/zinc/22/77/47/1009227747.db2.gz RNBBSURIIMANCC-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[NH+]1C ZINC000959968425 1009227758 /nfs/dbraw/zinc/22/77/58/1009227758.db2.gz RNBBSURIIMANCC-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)CC[N@H+]1C ZINC000959970044 1009231121 /nfs/dbraw/zinc/23/11/21/1009231121.db2.gz ZAGAAZDEGJEMFF-QXDIGNSFSA-N 2 1 358.511 1.896 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)CC[NH+]1C ZINC000959970044 1009231128 /nfs/dbraw/zinc/23/11/28/1009231128.db2.gz ZAGAAZDEGJEMFF-QXDIGNSFSA-N 2 1 358.511 1.896 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)CC[NH+]1C ZINC000959970044 1009231136 /nfs/dbraw/zinc/23/11/36/1009231136.db2.gz ZAGAAZDEGJEMFF-QXDIGNSFSA-N 2 1 358.511 1.896 20 30 FDEDMP CCc1ccc(NC(=[NH2+])NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000303777889 1009577331 /nfs/dbraw/zinc/57/73/31/1009577331.db2.gz JDVUGCDOWWFAAN-UHFFFAOYSA-N 2 1 367.501 1.978 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867186 1009643302 /nfs/dbraw/zinc/64/33/02/1009643302.db2.gz CTKXAOQDPLVQRI-PMACEKPBSA-N 2 1 373.545 1.757 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000303881441 1009670512 /nfs/dbraw/zinc/67/05/12/1009670512.db2.gz HSVRTKINJLXAFA-UHFFFAOYSA-N 2 1 373.545 1.321 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000303881441 1009670517 /nfs/dbraw/zinc/67/05/17/1009670517.db2.gz HSVRTKINJLXAFA-UHFFFAOYSA-N 2 1 373.545 1.321 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000303889884 1009676947 /nfs/dbraw/zinc/67/69/47/1009676947.db2.gz MGOPOKLGSHEINI-JFIYKMOQSA-N 2 1 374.533 1.584 20 30 FDEDMP CC(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000304750046 1010477455 /nfs/dbraw/zinc/47/74/55/1010477455.db2.gz IAWXPRNOONEGPH-HNNXBMFYSA-N 2 1 371.526 1.162 20 30 FDEDMP C[NH+]=C(NCc1ccc(N2CCCC2=O)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083134117 1011798441 /nfs/dbraw/zinc/79/84/41/1011798441.db2.gz QCMHFCPXBWWSQZ-INIZCTEOSA-N 2 1 355.486 1.715 20 30 FDEDMP C[NH+]=C(NCc1ccc(N2CCCC2=O)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083134117 1011798453 /nfs/dbraw/zinc/79/84/53/1011798453.db2.gz QCMHFCPXBWWSQZ-INIZCTEOSA-N 2 1 355.486 1.715 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000557731985 544337787 /nfs/dbraw/zinc/33/77/87/544337787.db2.gz JJFPILQNLOKRGP-QGZVFWFLSA-N 2 1 350.507 1.086 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328960399 259069080 /nfs/dbraw/zinc/06/90/80/259069080.db2.gz QJGKVACXCBPXNZ-LMNJBCLMSA-N 2 1 372.513 1.256 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000066922003 523266489 /nfs/dbraw/zinc/26/64/89/523266489.db2.gz SIMGWKWXKQZBJD-LJQANCHMSA-N 2 1 368.481 1.420 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000066922003 523266495 /nfs/dbraw/zinc/26/64/95/523266495.db2.gz SIMGWKWXKQZBJD-LJQANCHMSA-N 2 1 368.481 1.420 20 30 FDEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083032523 524235008 /nfs/dbraw/zinc/23/50/08/524235008.db2.gz OWWJHZHKFKCFTP-AEFFLSMTSA-N 2 1 359.518 1.688 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccc2c(c1)OCO2 ZINC000088802506 524474238 /nfs/dbraw/zinc/47/42/38/524474238.db2.gz AGOQBUAGEXMLTK-MRXNPFEDSA-N 2 1 361.490 1.058 20 30 FDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000119294440 525697079 /nfs/dbraw/zinc/69/70/79/525697079.db2.gz GRUPZQFLJWOWPR-LJQANCHMSA-N 2 1 360.502 1.062 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(COc2ccccc2)n[nH]1 ZINC000184654477 536173549 /nfs/dbraw/zinc/17/35/49/536173549.db2.gz PKYCTJQRINJPKE-CQSZACIVSA-N 2 1 357.462 1.272 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1n[nH]c(COc2ccccc2)n1 ZINC000184654477 536173551 /nfs/dbraw/zinc/17/35/51/536173551.db2.gz PKYCTJQRINJPKE-CQSZACIVSA-N 2 1 357.462 1.272 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1n[nH]c(COc2ccccc2)n1 ZINC000184654477 536173553 /nfs/dbraw/zinc/17/35/53/536173553.db2.gz PKYCTJQRINJPKE-CQSZACIVSA-N 2 1 357.462 1.272 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1CN1CCCC1=O ZINC000264106110 537137683 /nfs/dbraw/zinc/13/76/83/537137683.db2.gz PLBPPWDPOKZHBC-GOSISDBHSA-N 2 1 357.502 1.698 20 30 FDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264297477 537140722 /nfs/dbraw/zinc/14/07/22/537140722.db2.gz QVOBAYOUCSGINM-GOSISDBHSA-N 2 1 357.502 1.845 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000249419210 537235365 /nfs/dbraw/zinc/23/53/65/537235365.db2.gz HGIGHLQTVVBQKK-HHXXYDBFSA-N 2 1 350.507 1.521 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000249419210 537235366 /nfs/dbraw/zinc/23/53/66/537235366.db2.gz HGIGHLQTVVBQKK-HHXXYDBFSA-N 2 1 350.507 1.521 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000363823882 537330675 /nfs/dbraw/zinc/33/06/75/537330675.db2.gz OGOBXOHOJGXBSE-IBGZPJMESA-N 2 1 363.550 1.447 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000363823882 537330680 /nfs/dbraw/zinc/33/06/80/537330680.db2.gz OGOBXOHOJGXBSE-IBGZPJMESA-N 2 1 363.550 1.447 20 30 FDEDMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)CN(C)CCC#N)CC2)oc1C ZINC000562999411 546348713 /nfs/dbraw/zinc/34/87/13/546348713.db2.gz MYNCPICCRFACOL-SFHVURJKSA-N 2 1 363.506 1.299 20 30 FDEDMP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000573721964 550200813 /nfs/dbraw/zinc/20/08/13/550200813.db2.gz QRKMLJSEOHPOHK-QGZVFWFLSA-N 2 1 351.539 1.533 20 30 FDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595904528 552631324 /nfs/dbraw/zinc/63/13/24/552631324.db2.gz FDSKITWAAKOAIV-UYAOXDASSA-N 2 1 361.486 1.535 20 30 FDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595904528 552631326 /nfs/dbraw/zinc/63/13/26/552631326.db2.gz FDSKITWAAKOAIV-UYAOXDASSA-N 2 1 361.486 1.535 20 30 FDEDMP Cc1cc(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C#N)c(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)n1 ZINC000596214135 552665540 /nfs/dbraw/zinc/66/55/40/552665540.db2.gz NFCHTZHJPXWQED-USTZCAOPSA-N 2 1 366.513 1.257 20 30 FDEDMP Cc1cc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)c(C#N)c(N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)n1 ZINC000596214135 552665542 /nfs/dbraw/zinc/66/55/42/552665542.db2.gz NFCHTZHJPXWQED-USTZCAOPSA-N 2 1 366.513 1.257 20 30 FDEDMP Cc1cc(N2C[C@@H]3C[NH+](C)C[C@@H]3C2)c(C#N)c(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000596214135 552665543 /nfs/dbraw/zinc/66/55/43/552665543.db2.gz NFCHTZHJPXWQED-USTZCAOPSA-N 2 1 366.513 1.257 20 30 FDEDMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C#N)n1 ZINC000602577565 553607440 /nfs/dbraw/zinc/60/74/40/553607440.db2.gz VXJLLUTYHYAYQK-IBGZPJMESA-N 2 1 351.454 1.332 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(F)(F)CNC(=O)OC(C)(C)C ZINC000186871333 672276799 /nfs/dbraw/zinc/27/67/99/672276799.db2.gz GRHZTZDZOUROGZ-GFCCVEGCSA-N 2 1 363.453 1.535 20 30 FDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH+]CC)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261656875 672644367 /nfs/dbraw/zinc/64/43/67/672644367.db2.gz AFYZOVXSXXUEGU-HNNXBMFYSA-N 2 1 358.552 1.193 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](CC)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261658770 672644868 /nfs/dbraw/zinc/64/48/68/672644868.db2.gz BLRHFLLTGQOERM-MRXNPFEDSA-N 2 1 351.539 1.625 20 30 FDEDMP C[NH+]=C(NCc1sc(C)nc1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261672042 672648135 /nfs/dbraw/zinc/64/81/35/672648135.db2.gz GWKCXQCKLNALRD-HNNXBMFYSA-N 2 1 351.520 1.489 20 30 FDEDMP CCc1nsc(N2CCN(C(NC[C@@H]3CC[N@H+](CC)C3)=[NH+]C)CC2)n1 ZINC000261694243 672652930 /nfs/dbraw/zinc/65/29/30/672652930.db2.gz FKUFKTAMHIUUJZ-AWEZNQCLSA-N 2 1 365.551 1.140 20 30 FDEDMP C[NH+]=C(NCCN1CCc2sccc2C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261957165 672701955 /nfs/dbraw/zinc/70/19/55/672701955.db2.gz JCJUSBHYHLZQNG-RHSMWYFYSA-N 2 1 361.559 1.754 20 30 FDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)NCC1(N2CCOCC2)CCCCC1 ZINC000262943941 672855483 /nfs/dbraw/zinc/85/54/83/672855483.db2.gz AJGXKBFBDXHMQV-QGZVFWFLSA-N 2 1 351.539 1.138 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1C(F)(F)F ZINC000264086265 672900619 /nfs/dbraw/zinc/90/06/19/672900619.db2.gz JKKWWOVMWNMKGB-UHFFFAOYSA-N 2 1 358.408 1.875 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000264107566 672901637 /nfs/dbraw/zinc/90/16/37/672901637.db2.gz OESCECUYDMBPMD-JTQLQIEISA-N 2 1 357.380 1.431 20 30 FDEDMP CCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1OC ZINC000264119517 672902033 /nfs/dbraw/zinc/90/20/33/672902033.db2.gz ULLUNOWVFOIFIL-UHFFFAOYSA-N 2 1 350.463 1.221 20 30 FDEDMP C[C@@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)OCCc2sccc21 ZINC000290629207 676219242 /nfs/dbraw/zinc/21/92/42/676219242.db2.gz LCMNWLVPOLINAS-KRWDZBQOSA-N 2 1 352.504 1.163 20 30 FDEDMP CC[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccccc1F ZINC000304747808 676544424 /nfs/dbraw/zinc/54/44/24/676544424.db2.gz VXIWECUGMUXLOB-OAHLLOKOSA-N 2 1 352.454 1.610 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1 ZINC000328848453 676609674 /nfs/dbraw/zinc/60/96/74/676609674.db2.gz WAOOQZRFBUIALD-RCCFBDPRSA-N 2 1 353.507 1.678 20 30 FDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000329399128 676637158 /nfs/dbraw/zinc/63/71/58/676637158.db2.gz YHLUYLUHGSGGJW-INIZCTEOSA-N 2 1 369.579 1.097 20 30 FDEDMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329816067 676658715 /nfs/dbraw/zinc/65/87/15/676658715.db2.gz VSKYSCKXSIEMMU-LJIGWXMPSA-N 2 1 352.523 1.861 20 30 FDEDMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329816067 676658718 /nfs/dbraw/zinc/65/87/18/676658718.db2.gz VSKYSCKXSIEMMU-LJIGWXMPSA-N 2 1 352.523 1.861 20 30 FDEDMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329816067 676658719 /nfs/dbraw/zinc/65/87/19/676658719.db2.gz VSKYSCKXSIEMMU-LJIGWXMPSA-N 2 1 352.523 1.861 20 30 FDEDMP C[C@H]1C[NH+](C2CC2)C[C@H]1NC(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000329816067 676658721 /nfs/dbraw/zinc/65/87/21/676658721.db2.gz VSKYSCKXSIEMMU-LJIGWXMPSA-N 2 1 352.523 1.861 20 30 FDEDMP N#CC1(CCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)CCOCC1 ZINC000332002927 676736057 /nfs/dbraw/zinc/73/60/57/676736057.db2.gz NGMLOWWIBPLYDC-UHFFFAOYSA-N 2 1 351.491 1.246 20 30 FDEDMP CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000409591210 678865156 /nfs/dbraw/zinc/86/51/56/678865156.db2.gz IYMRUCQABVTCSQ-IAGOWNOFSA-N 2 1 373.567 1.061 20 30 FDEDMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC000969705389 770693920 /nfs/dbraw/zinc/69/39/20/770693920.db2.gz XLZUIAHXJYGSCE-JXXFODFXSA-N 2 1 370.497 1.866 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC(F)F)C1 ZINC001104305978 774436845 /nfs/dbraw/zinc/43/68/45/774436845.db2.gz DCNUOQQTLJXLFL-ZACQAIPSSA-N 2 1 371.472 1.440 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC(F)F)C1 ZINC001104305978 774436850 /nfs/dbraw/zinc/43/68/50/774436850.db2.gz DCNUOQQTLJXLFL-ZACQAIPSSA-N 2 1 371.472 1.440 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnn2C)C1 ZINC001104306058 774438490 /nfs/dbraw/zinc/43/84/90/774438490.db2.gz IUWLIMNOPSGIOM-LMMKCTJWSA-N 2 1 357.502 1.092 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccnn2C)C1 ZINC001104306058 774438492 /nfs/dbraw/zinc/43/84/92/774438492.db2.gz IUWLIMNOPSGIOM-LMMKCTJWSA-N 2 1 357.502 1.092 20 30 FDEDMP C#CCCN1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnc4)c3)[C@H]2C1 ZINC001083239169 781729533 /nfs/dbraw/zinc/72/95/33/781729533.db2.gz WUPDJRQOLHWBNX-RBUKOAKNSA-N 2 1 350.422 1.421 20 30 FDEDMP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083248128 783427719 /nfs/dbraw/zinc/42/77/19/783427719.db2.gz SGHKIMHBKBBVJA-HSALFYBXSA-N 2 1 368.481 1.312 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083248128 783427723 /nfs/dbraw/zinc/42/77/23/783427723.db2.gz SGHKIMHBKBBVJA-HSALFYBXSA-N 2 1 368.481 1.312 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083248128 783427727 /nfs/dbraw/zinc/42/77/27/783427727.db2.gz SGHKIMHBKBBVJA-HSALFYBXSA-N 2 1 368.481 1.312 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083248128 783427731 /nfs/dbraw/zinc/42/77/31/783427731.db2.gz SGHKIMHBKBBVJA-HSALFYBXSA-N 2 1 368.481 1.312 20 30 FDEDMP COc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001027891875 806860723 /nfs/dbraw/zinc/86/07/23/806860723.db2.gz JXMMILQFIRCDFM-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CCC[C@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N ZINC001027891875 806860728 /nfs/dbraw/zinc/86/07/28/806860728.db2.gz JXMMILQFIRCDFM-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC001027891875 806860734 /nfs/dbraw/zinc/86/07/34/806860734.db2.gz JXMMILQFIRCDFM-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP C=CC[C@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941545 804590253 /nfs/dbraw/zinc/59/02/53/804590253.db2.gz XJMIOQYZIIZHEI-TZIWHRDSSA-N 2 1 356.514 1.617 20 30 FDEDMP C=CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941545 804590258 /nfs/dbraw/zinc/59/02/58/804590258.db2.gz XJMIOQYZIIZHEI-TZIWHRDSSA-N 2 1 356.514 1.617 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261931062 811346938 /nfs/dbraw/zinc/34/69/38/811346938.db2.gz BJIIUCFFADJUOR-MAUKXSAKSA-N 2 1 369.517 1.969 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087476907 818393736 /nfs/dbraw/zinc/39/37/36/818393736.db2.gz LRTDRCUDSSXVLR-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CCC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087476907 818393741 /nfs/dbraw/zinc/39/37/41/818393741.db2.gz LRTDRCUDSSXVLR-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CCC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087476907 818393750 /nfs/dbraw/zinc/39/37/50/818393750.db2.gz LRTDRCUDSSXVLR-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP CN(CC[N@@H+](C)CCC(=O)Nc1ccccc1C#N)C1CC[NH+](C)CC1 ZINC000267480903 822083357 /nfs/dbraw/zinc/08/33/57/822083357.db2.gz SNIIEYWQMNDPJI-UHFFFAOYSA-N 2 1 357.502 1.845 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001087828438 822520552 /nfs/dbraw/zinc/52/05/52/822520552.db2.gz LGLQNSGOODQWFE-YTQUADARSA-N 2 1 370.497 1.988 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(OC)c(C#N)c1 ZINC001087828438 822520555 /nfs/dbraw/zinc/52/05/55/822520555.db2.gz LGLQNSGOODQWFE-YTQUADARSA-N 2 1 370.497 1.988 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(OC)c(C#N)c1 ZINC001087828438 822520559 /nfs/dbraw/zinc/52/05/59/822520559.db2.gz LGLQNSGOODQWFE-YTQUADARSA-N 2 1 370.497 1.988 20 30 FDEDMP C[N@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)[C@@H]2C1 ZINC000895594311 822667286 /nfs/dbraw/zinc/66/72/86/822667286.db2.gz NXCDMAGUKAEMJV-UYAOXDASSA-N 2 1 367.497 1.868 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969251 824259902 /nfs/dbraw/zinc/25/99/02/824259902.db2.gz KNVFGUGDXWLGOL-MHTWAQMVSA-N 2 1 373.541 1.537 20 30 FDEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000329272088 824707823 /nfs/dbraw/zinc/70/78/23/824707823.db2.gz IKFSIRDBSJUUMN-OWYHZJEWSA-N 2 1 364.534 1.694 20 30 FDEDMP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)ncn1 ZINC000329305826 824725354 /nfs/dbraw/zinc/72/53/54/824725354.db2.gz YLIDQWFYVKFRHG-ARFHVFGLSA-N 2 1 373.505 1.427 20 30 FDEDMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329341345 824745691 /nfs/dbraw/zinc/74/56/91/824745691.db2.gz OXDSCOXSZOHJTP-IPELMVKDSA-N 2 1 364.534 1.908 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncccc3C)CC[C@@H]2C1 ZINC001087997890 825073105 /nfs/dbraw/zinc/07/31/05/825073105.db2.gz FIUXOIMCVNSSFR-DYXWJJEUSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncccc3C)CC[C@@H]2C1 ZINC001087997890 825073113 /nfs/dbraw/zinc/07/31/13/825073113.db2.gz FIUXOIMCVNSSFR-DYXWJJEUSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncccc3C)CC[C@@H]2C1 ZINC001087997890 825073119 /nfs/dbraw/zinc/07/31/19/825073119.db2.gz FIUXOIMCVNSSFR-DYXWJJEUSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncccc3C)CC[C@@H]2C1 ZINC001087997890 825073126 /nfs/dbraw/zinc/07/31/26/825073126.db2.gz FIUXOIMCVNSSFR-DYXWJJEUSA-N 2 1 366.509 1.768 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105641453 842292063 /nfs/dbraw/zinc/29/20/63/842292063.db2.gz BGYMECHGSMXHCC-LFGUQSLTSA-N 2 1 360.502 1.734 20 30 FDEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083524196 846259170 /nfs/dbraw/zinc/25/91/70/846259170.db2.gz LWHDSRMCNQUQAC-AQNXPRMDSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083524196 846259177 /nfs/dbraw/zinc/25/91/77/846259177.db2.gz LWHDSRMCNQUQAC-AQNXPRMDSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083524196 846259186 /nfs/dbraw/zinc/25/91/86/846259186.db2.gz LWHDSRMCNQUQAC-AQNXPRMDSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1O ZINC001083524196 846259195 /nfs/dbraw/zinc/25/91/95/846259195.db2.gz LWHDSRMCNQUQAC-AQNXPRMDSA-N 2 1 370.497 1.482 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000481881130 847068418 /nfs/dbraw/zinc/06/84/18/847068418.db2.gz ZDVPIDMIJUFAJL-SJORKVTESA-N 2 1 364.534 1.380 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076568876 848462410 /nfs/dbraw/zinc/46/24/10/848462410.db2.gz AXJGRTDNECDHAO-JENIJYKNSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076568876 848462416 /nfs/dbraw/zinc/46/24/16/848462416.db2.gz AXJGRTDNECDHAO-JENIJYKNSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076568876 848462426 /nfs/dbraw/zinc/46/24/26/848462426.db2.gz AXJGRTDNECDHAO-JENIJYKNSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076568876 848462432 /nfs/dbraw/zinc/46/24/32/848462432.db2.gz AXJGRTDNECDHAO-JENIJYKNSA-N 2 1 368.481 1.551 20 30 FDEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(O)cc1 ZINC000912499311 859826898 /nfs/dbraw/zinc/82/68/98/859826898.db2.gz OWKPMZQFKOCPKQ-UHFFFAOYSA-N 2 1 362.518 1.991 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C(F)(F)F ZINC001112116218 864070909 /nfs/dbraw/zinc/07/09/09/864070909.db2.gz QVBSBDLUFQUGDH-HUUCEWRRSA-N 2 1 363.424 1.652 20 30 FDEDMP COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860060 864785744 /nfs/dbraw/zinc/78/57/44/864785744.db2.gz UPBTUXFFEMIQHM-MDZRGWNJSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860060 864785750 /nfs/dbraw/zinc/78/57/50/864785750.db2.gz UPBTUXFFEMIQHM-MDZRGWNJSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860060 864785771 /nfs/dbraw/zinc/78/57/71/864785771.db2.gz UPBTUXFFEMIQHM-MDZRGWNJSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001088860060 864785779 /nfs/dbraw/zinc/78/57/79/864785779.db2.gz UPBTUXFFEMIQHM-MDZRGWNJSA-N 2 1 370.497 1.988 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088983189 865911192 /nfs/dbraw/zinc/91/11/92/865911192.db2.gz LPNSJVLTXWNHRB-KDOFPFPSSA-N 2 1 356.445 1.872 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC001088983189 865911197 /nfs/dbraw/zinc/91/11/97/865911197.db2.gz LPNSJVLTXWNHRB-KDOFPFPSSA-N 2 1 356.445 1.872 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC001088983575 865915982 /nfs/dbraw/zinc/91/59/82/865915982.db2.gz DTCWKZWPCFJLSB-KDOFPFPSSA-N 2 1 356.445 1.872 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1cc(C#N)ccc1F ZINC001088983575 865915987 /nfs/dbraw/zinc/91/59/87/865915987.db2.gz DTCWKZWPCFJLSB-KDOFPFPSSA-N 2 1 356.445 1.872 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000916658569 882002620 /nfs/dbraw/zinc/00/26/20/882002620.db2.gz SJCMMTBQGJZAMP-HXUWFJFHSA-N 2 1 368.525 1.948 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](n2ccnn2)C1 ZINC001129103923 885703635 /nfs/dbraw/zinc/70/36/35/885703635.db2.gz XCHMEUKIABLGQO-MSOLQXFVSA-N 2 1 365.441 1.547 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000923401459 889140869 /nfs/dbraw/zinc/14/08/69/889140869.db2.gz NHYVOUPBGVTBIR-IIAWOOMASA-N 2 1 357.376 1.757 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000923401459 889140895 /nfs/dbraw/zinc/14/08/95/889140895.db2.gz NHYVOUPBGVTBIR-IIAWOOMASA-N 2 1 357.376 1.757 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)[C@H](OC)C1 ZINC001212303805 889991994 /nfs/dbraw/zinc/99/19/94/889991994.db2.gz NARRHAGGSJRVEH-FGTMMUONSA-N 2 1 361.490 1.572 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)CC[N@@H+]1C ZINC001084355745 914172506 /nfs/dbraw/zinc/17/25/06/914172506.db2.gz FLLDMQAGEKPBIV-DTTOXWODSA-N 2 1 358.511 1.993 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)CC[N@H+]1C ZINC001084355745 914172512 /nfs/dbraw/zinc/17/25/12/914172512.db2.gz FLLDMQAGEKPBIV-DTTOXWODSA-N 2 1 358.511 1.993 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)CC[NH+]1C ZINC001084355745 914172520 /nfs/dbraw/zinc/17/25/20/914172520.db2.gz FLLDMQAGEKPBIV-DTTOXWODSA-N 2 1 358.511 1.993 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)CC[NH+]1C ZINC001084355745 914172524 /nfs/dbraw/zinc/17/25/24/914172524.db2.gz FLLDMQAGEKPBIV-DTTOXWODSA-N 2 1 358.511 1.993 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129307992 901104022 /nfs/dbraw/zinc/10/40/22/901104022.db2.gz WQUXWOIXDHRTFA-SJORKVTESA-N 2 1 371.489 1.606 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129307992 901104030 /nfs/dbraw/zinc/10/40/30/901104030.db2.gz WQUXWOIXDHRTFA-SJORKVTESA-N 2 1 371.489 1.606 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259624 902295928 /nfs/dbraw/zinc/29/59/28/902295928.db2.gz LADVENWXBADGBS-ZWKOTPCHSA-N 2 1 359.514 1.291 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259667 902296420 /nfs/dbraw/zinc/29/64/20/902296420.db2.gz MZWGOWRWKIQWIC-CEXWTWQISA-N 2 1 361.530 1.844 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579114 905783640 /nfs/dbraw/zinc/78/36/40/905783640.db2.gz SQQFZEHKNKWNPK-TZIWHRDSSA-N 2 1 361.530 1.873 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579114 905783647 /nfs/dbraw/zinc/78/36/47/905783647.db2.gz SQQFZEHKNKWNPK-TZIWHRDSSA-N 2 1 361.530 1.873 20 30 FDEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609164 905959435 /nfs/dbraw/zinc/95/94/35/905959435.db2.gz FXOVUFPZAVRMGV-IEBWSBKVSA-N 2 1 353.507 1.128 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082520671 908220056 /nfs/dbraw/zinc/22/00/56/908220056.db2.gz MFQCITMHBWAPTE-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC001082568541 908710813 /nfs/dbraw/zinc/71/08/13/908710813.db2.gz BWJRTUBJBBRPQL-QRQLOZEOSA-N 2 1 371.529 1.672 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC001082568541 908710827 /nfs/dbraw/zinc/71/08/27/908710827.db2.gz BWJRTUBJBBRPQL-QRQLOZEOSA-N 2 1 371.529 1.672 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082590283 908846804 /nfs/dbraw/zinc/84/68/04/908846804.db2.gz MWOGQWLDAUJUKF-TWKYDXJASA-N 2 1 374.460 1.353 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082590283 908846824 /nfs/dbraw/zinc/84/68/24/908846824.db2.gz MWOGQWLDAUJUKF-TWKYDXJASA-N 2 1 374.460 1.353 20 30 FDEDMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084662576 915921199 /nfs/dbraw/zinc/92/11/99/915921199.db2.gz PAKNURSDGUGQHS-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084662576 915921203 /nfs/dbraw/zinc/92/12/03/915921203.db2.gz PAKNURSDGUGQHS-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084662576 915921206 /nfs/dbraw/zinc/92/12/06/915921206.db2.gz PAKNURSDGUGQHS-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084662576 915921213 /nfs/dbraw/zinc/92/12/13/915921213.db2.gz PAKNURSDGUGQHS-NSISKUIASA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2coc(C)n2)CC1 ZINC001085432497 924678683 /nfs/dbraw/zinc/67/86/83/924678683.db2.gz ARWLWOLJBSGQPH-RTBURBONSA-N 2 1 358.486 1.845 20 30 FDEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112546484 931437769 /nfs/dbraw/zinc/43/77/69/931437769.db2.gz MYTGYIRUWDFRQP-ICSRJNTNSA-N 2 1 365.518 1.130 20 30 FDEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001112583421 931754369 /nfs/dbraw/zinc/75/43/69/931754369.db2.gz SDHYRXCKHPZBME-BJLQDIEVSA-N 2 1 365.518 1.128 20 30 FDEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583421 931754373 /nfs/dbraw/zinc/75/43/73/931754373.db2.gz SDHYRXCKHPZBME-BJLQDIEVSA-N 2 1 365.518 1.128 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586352 931773238 /nfs/dbraw/zinc/77/32/38/931773238.db2.gz VKYCLFJTUAUJAO-ZWOKBUDYSA-N 2 1 364.534 1.236 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001086588273 933607487 /nfs/dbraw/zinc/60/74/87/933607487.db2.gz NCHGMBWTKNJIES-PWRODBHTSA-N 2 1 351.494 1.936 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588277 933607904 /nfs/dbraw/zinc/60/79/04/933607904.db2.gz NHUDKZHDQCLNGW-PCCBWWKXSA-N 2 1 351.494 1.936 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433600 938423649 /nfs/dbraw/zinc/42/36/49/938423649.db2.gz IGYWOPZPDAPFJE-MSOLQXFVSA-N 2 1 362.522 1.686 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433600 938423650 /nfs/dbraw/zinc/42/36/50/938423650.db2.gz IGYWOPZPDAPFJE-MSOLQXFVSA-N 2 1 362.522 1.686 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#CC)C[C@H]2c2ccccc2)CC1 ZINC001086625176 938511096 /nfs/dbraw/zinc/51/10/96/938511096.db2.gz NTMCBDUFIDGDJR-FCHUYYIVSA-N 2 1 363.505 1.939 20 30 FDEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086625217 938511362 /nfs/dbraw/zinc/51/13/62/938511362.db2.gz PEDPNIMNUFDDRP-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086625217 938511366 /nfs/dbraw/zinc/51/13/66/938511366.db2.gz PEDPNIMNUFDDRP-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001086625217 938511367 /nfs/dbraw/zinc/51/13/67/938511367.db2.gz PEDPNIMNUFDDRP-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001086625217 938511368 /nfs/dbraw/zinc/51/13/68/938511368.db2.gz PEDPNIMNUFDDRP-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@@H]1n1ccnn1 ZINC001129855970 938528624 /nfs/dbraw/zinc/52/86/24/938528624.db2.gz SSXZTZIEGGAZSG-BBWFWOEESA-N 2 1 369.473 1.053 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130123162 938705337 /nfs/dbraw/zinc/70/53/37/938705337.db2.gz JNJSLKMXGRZJSJ-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123499 938705660 /nfs/dbraw/zinc/70/56/60/938705660.db2.gz SZCYYXVAQSVIBG-KSZLIROESA-N 2 1 360.506 1.318 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622042 939920523 /nfs/dbraw/zinc/92/05/23/939920523.db2.gz MOOWETWBSPOOQI-DFQSSKMNSA-N 2 1 371.529 1.448 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070075 940484329 /nfs/dbraw/zinc/48/43/29/940484329.db2.gz DYFITKOILYBASR-KZNAEPCWSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1c1cncn1C ZINC001131133064 940512676 /nfs/dbraw/zinc/51/26/76/940512676.db2.gz ZZVYZAIDYQDOLL-RTBURBONSA-N 2 1 367.497 1.622 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1c1cncn1C ZINC001131133064 940512677 /nfs/dbraw/zinc/51/26/77/940512677.db2.gz ZZVYZAIDYQDOLL-RTBURBONSA-N 2 1 367.497 1.622 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001131461346 940604744 /nfs/dbraw/zinc/60/47/44/940604744.db2.gz LNAPUWJILQHCDG-QRVBRYPASA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461346 940604748 /nfs/dbraw/zinc/60/47/48/940604748.db2.gz LNAPUWJILQHCDG-QRVBRYPASA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001131577730 940754758 /nfs/dbraw/zinc/75/47/58/940754758.db2.gz DOOCYIFOSVBBPH-QUCCMNQESA-N 2 1 365.518 1.271 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001086720812 941620021 /nfs/dbraw/zinc/62/00/21/941620021.db2.gz PSWNCUPZLKXJCI-SCTDSRPQSA-N 2 1 357.502 1.201 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC001086720812 941620024 /nfs/dbraw/zinc/62/00/24/941620024.db2.gz PSWNCUPZLKXJCI-SCTDSRPQSA-N 2 1 357.502 1.201 20 30 FDEDMP C=CCn1nnn(CN2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c1=S ZINC000817371781 942724250 /nfs/dbraw/zinc/72/42/50/942724250.db2.gz CGPZIAMLMZQCHR-UHFFFAOYSA-N 2 1 365.551 1.445 20 30 FDEDMP C=CCn1nnn(CN2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c1=S ZINC000817371781 942724253 /nfs/dbraw/zinc/72/42/53/942724253.db2.gz CGPZIAMLMZQCHR-UHFFFAOYSA-N 2 1 365.551 1.445 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818605968 943330295 /nfs/dbraw/zinc/33/02/95/943330295.db2.gz AEDSKDWBCZLFMR-UHFFFAOYSA-N 2 1 366.506 1.001 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000818605968 943330302 /nfs/dbraw/zinc/33/03/02/943330302.db2.gz AEDSKDWBCZLFMR-UHFFFAOYSA-N 2 1 366.506 1.001 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640561 971103448 /nfs/dbraw/zinc/10/34/48/971103448.db2.gz GKMDALAJGIUYEU-QXAKKESOSA-N 2 1 360.502 1.662 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640561 971103456 /nfs/dbraw/zinc/10/34/56/971103456.db2.gz GKMDALAJGIUYEU-QXAKKESOSA-N 2 1 360.502 1.662 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncc(F)c(C2CC[NH2+]CC2)n1 ZINC001171067520 946799699 /nfs/dbraw/zinc/79/96/99/946799699.db2.gz IPZRKMZBVHPCPN-HNNXBMFYSA-N 2 1 365.453 1.721 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196251585 971568898 /nfs/dbraw/zinc/56/88/98/971568898.db2.gz LEJLBEJTGAGSIR-GUDVDZBRSA-N 2 1 369.550 1.619 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000125827758 951180498 /nfs/dbraw/zinc/18/04/98/951180498.db2.gz IOHSRQRJSWEIJL-CALCHBBNSA-N 2 1 352.523 1.778 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3nccnc3C)C[C@@]2(C)C1 ZINC001091749610 952789174 /nfs/dbraw/zinc/78/91/74/952789174.db2.gz NUMZTHKWTVRGLA-LMNJBCLMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3nccnc3C)C[C@@]2(C)C1 ZINC001091749610 952789180 /nfs/dbraw/zinc/78/91/80/952789180.db2.gz NUMZTHKWTVRGLA-LMNJBCLMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccnc3C)C[C@@]2(C)C1 ZINC001091749610 952789183 /nfs/dbraw/zinc/78/91/83/952789183.db2.gz NUMZTHKWTVRGLA-LMNJBCLMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3nccnc3C)C[C@@]2(C)C1 ZINC001091749610 952789185 /nfs/dbraw/zinc/78/91/85/952789185.db2.gz NUMZTHKWTVRGLA-LMNJBCLMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(C)C)C1 ZINC001086982955 952996481 /nfs/dbraw/zinc/99/64/81/952996481.db2.gz NMDXNAGRCPEKPO-OTWHNJEPSA-N 2 1 357.502 1.058 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(C)C)C1 ZINC001086982955 952996482 /nfs/dbraw/zinc/99/64/82/952996482.db2.gz NMDXNAGRCPEKPO-OTWHNJEPSA-N 2 1 357.502 1.058 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](OCC)C1 ZINC001087059927 953203013 /nfs/dbraw/zinc/20/30/13/953203013.db2.gz BDPYJQRGKMGNFH-QHAWAJNXSA-N 2 1 369.509 1.737 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccc2)[C@H](OCC)C1 ZINC001087059927 953203014 /nfs/dbraw/zinc/20/30/14/953203014.db2.gz BDPYJQRGKMGNFH-QHAWAJNXSA-N 2 1 369.509 1.737 20 30 FDEDMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](CC#Cc1ccccc1)C2 ZINC001092203385 954530262 /nfs/dbraw/zinc/53/02/62/954530262.db2.gz NEJDVCHUYZCXQP-IRLDBZIGSA-N 2 1 363.505 1.914 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092272256 954652217 /nfs/dbraw/zinc/65/22/17/954652217.db2.gz BGYYTRPVAKUDKN-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092272256 954652227 /nfs/dbraw/zinc/65/22/27/954652227.db2.gz BGYYTRPVAKUDKN-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092272256 954652230 /nfs/dbraw/zinc/65/22/30/954652230.db2.gz BGYYTRPVAKUDKN-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193943 957751580 /nfs/dbraw/zinc/75/15/80/957751580.db2.gz QVJLVVTWBBBYDQ-HHXXYDBFSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193943 957751587 /nfs/dbraw/zinc/75/15/87/957751587.db2.gz QVJLVVTWBBBYDQ-HHXXYDBFSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@H](C)C2)cc1C#N ZINC001093193943 957751595 /nfs/dbraw/zinc/75/15/95/957751595.db2.gz QVJLVVTWBBBYDQ-HHXXYDBFSA-N 2 1 370.497 1.703 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3ncccn3)C[C@H]2C)CC1 ZINC001093223582 957853097 /nfs/dbraw/zinc/85/30/97/957853097.db2.gz BUKKXPVIVQEGOS-ZIFCJYIRSA-N 2 1 369.513 1.567 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nocc3C)C[C@H]2C)CC1 ZINC001093224227 957853901 /nfs/dbraw/zinc/85/39/01/957853901.db2.gz OGSRDRYXSFZNPB-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@@H](OCC)C2CC2)CC1 ZINC001110147226 958335200 /nfs/dbraw/zinc/33/52/00/958335200.db2.gz QGFHIAWGGOQCDK-IVAOSVALSA-N 2 1 373.541 1.868 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncccc2C)[C@H](C)C1 ZINC001093833216 958928721 /nfs/dbraw/zinc/92/87/21/958928721.db2.gz ZIJJKEMRBICXEF-GGPKGHCWSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncccc2C)[C@H](C)C1 ZINC001093833216 958928722 /nfs/dbraw/zinc/92/87/22/958928722.db2.gz ZIJJKEMRBICXEF-GGPKGHCWSA-N 2 1 354.498 1.672 20 30 FDEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]21 ZINC001189801680 967304063 /nfs/dbraw/zinc/30/40/63/967304063.db2.gz JDGXGQTYSNAVLI-RBUKOAKNSA-N 2 1 356.470 1.169 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190203680 967658574 /nfs/dbraw/zinc/65/85/74/967658574.db2.gz LQLVLQZOWUULDT-ZWKOTPCHSA-N 2 1 362.518 1.087 20 30 FDEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190203680 967658577 /nfs/dbraw/zinc/65/85/77/967658577.db2.gz LQLVLQZOWUULDT-ZWKOTPCHSA-N 2 1 362.518 1.087 20 30 FDEDMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852860789 967666108 /nfs/dbraw/zinc/66/61/08/967666108.db2.gz VAJKHNBQJDUCKR-SFHVURJKSA-N 2 1 354.454 1.078 20 30 FDEDMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)C#CC2CC[NH2+]CC2)c1 ZINC000852860789 967666115 /nfs/dbraw/zinc/66/61/15/967666115.db2.gz VAJKHNBQJDUCKR-SFHVURJKSA-N 2 1 354.454 1.078 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192977727 969415780 /nfs/dbraw/zinc/41/57/80/969415780.db2.gz JSBPMMCHHZGWLE-QXAKKESOSA-N 2 1 365.518 1.005 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192977727 969415786 /nfs/dbraw/zinc/41/57/86/969415786.db2.gz JSBPMMCHHZGWLE-QXAKKESOSA-N 2 1 365.518 1.005 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192977727 969415791 /nfs/dbraw/zinc/41/57/91/969415791.db2.gz JSBPMMCHHZGWLE-QXAKKESOSA-N 2 1 365.518 1.005 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384597 969672299 /nfs/dbraw/zinc/67/22/99/969672299.db2.gz OMPOKHWTIGPQDZ-FVQBIDKESA-N 2 1 351.516 1.939 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001193384597 969672305 /nfs/dbraw/zinc/67/23/05/969672305.db2.gz OMPOKHWTIGPQDZ-FVQBIDKESA-N 2 1 351.516 1.939 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001194321412 970103293 /nfs/dbraw/zinc/10/32/93/970103293.db2.gz VPKBXFQOJDMIPG-IAGOWNOFSA-N 2 1 353.507 1.003 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321412 970103295 /nfs/dbraw/zinc/10/32/95/970103295.db2.gz VPKBXFQOJDMIPG-IAGOWNOFSA-N 2 1 353.507 1.003 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001194321412 970103297 /nfs/dbraw/zinc/10/32/97/970103297.db2.gz VPKBXFQOJDMIPG-IAGOWNOFSA-N 2 1 353.507 1.003 20 30 FDEDMP C[NH+]=C(NCc1ccco1)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000849044727 977292624 /nfs/dbraw/zinc/29/26/24/977292624.db2.gz DLSAXDHLCDSSTR-MRXNPFEDSA-N 2 1 361.515 1.995 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000849081902 977307065 /nfs/dbraw/zinc/30/70/65/977307065.db2.gz PQNYPYYEWFGVPR-RRFJBIMHSA-N 2 1 364.494 1.344 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@@H](C)C1 ZINC000884221217 982995595 /nfs/dbraw/zinc/99/55/95/982995595.db2.gz MNBFWYUTLXZFMJ-HPBYLSSESA-N 2 1 362.518 1.379 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000296196292 989030539 /nfs/dbraw/zinc/03/05/39/989030539.db2.gz DEIJCNZOCMAHQS-UHFFFAOYSA-N 2 1 358.486 1.273 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000296196292 989030545 /nfs/dbraw/zinc/03/05/45/989030545.db2.gz DEIJCNZOCMAHQS-UHFFFAOYSA-N 2 1 358.486 1.273 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000363343688 989110964 /nfs/dbraw/zinc/11/09/64/989110964.db2.gz XUVHTQUMQJAUHS-HDICACEKSA-N 2 1 361.530 1.679 20 30 FDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)C1 ZINC000363416049 989179466 /nfs/dbraw/zinc/17/94/66/989179466.db2.gz AVCAKMRAGRNSCX-RTBURBONSA-N 2 1 358.486 1.010 20 30 FDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)C1 ZINC000363416049 989179474 /nfs/dbraw/zinc/17/94/74/989179474.db2.gz AVCAKMRAGRNSCX-RTBURBONSA-N 2 1 358.486 1.010 20 30 FDEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455795 989216198 /nfs/dbraw/zinc/21/61/98/989216198.db2.gz GRESSRZOFOGLLY-WOJBJXKFSA-N 2 1 372.513 1.257 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000296660451 989350653 /nfs/dbraw/zinc/35/06/53/989350653.db2.gz NXCWNHGAZHLCIT-LJQANCHMSA-N 2 1 358.486 1.008 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000296660451 989350661 /nfs/dbraw/zinc/35/06/61/989350661.db2.gz NXCWNHGAZHLCIT-LJQANCHMSA-N 2 1 358.486 1.008 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000296660451 989350673 /nfs/dbraw/zinc/35/06/73/989350673.db2.gz NXCWNHGAZHLCIT-LJQANCHMSA-N 2 1 358.486 1.008 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000363713221 989403443 /nfs/dbraw/zinc/40/34/43/989403443.db2.gz MHFWIEJPSRVXKJ-UXPWSPDFSA-N 2 1 370.497 1.653 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000363713221 989403446 /nfs/dbraw/zinc/40/34/46/989403446.db2.gz MHFWIEJPSRVXKJ-UXPWSPDFSA-N 2 1 370.497 1.653 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000876780991 992906762 /nfs/dbraw/zinc/90/67/62/992906762.db2.gz LLVDRZZOOHVSOK-QZTJIDSGSA-N 2 1 364.921 1.951 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000876780991 992906769 /nfs/dbraw/zinc/90/67/69/992906769.db2.gz LLVDRZZOOHVSOK-QZTJIDSGSA-N 2 1 364.921 1.951 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000876780991 992906772 /nfs/dbraw/zinc/90/67/72/992906772.db2.gz LLVDRZZOOHVSOK-QZTJIDSGSA-N 2 1 364.921 1.951 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000926491970 996176271 /nfs/dbraw/zinc/17/62/71/996176271.db2.gz ZDDRXQKPFGIQPJ-FZDBZEDMSA-N 2 1 365.518 1.849 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000926491970 996176276 /nfs/dbraw/zinc/17/62/76/996176276.db2.gz ZDDRXQKPFGIQPJ-FZDBZEDMSA-N 2 1 365.518 1.849 20 30 FDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264076323 997396884 /nfs/dbraw/zinc/39/68/84/997396884.db2.gz FSZSSZYAZWBCNZ-CALCHBBNSA-N 2 1 359.522 1.281 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267416847 999329763 /nfs/dbraw/zinc/32/97/63/999329763.db2.gz JMWHNCDWZZQLCH-LJQANCHMSA-N 3 1 373.545 1.532 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000267453831 999340118 /nfs/dbraw/zinc/34/01/18/999340118.db2.gz SFWKALYTYFHAGB-LJQANCHMSA-N 3 1 373.545 1.532 20 30 FDEDMP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[N@H+](C)Cc1ccccc1 ZINC000267474200 999344733 /nfs/dbraw/zinc/34/47/33/999344733.db2.gz YYCJINNDGGYHPV-QGZVFWFLSA-N 2 1 367.501 1.434 20 30 FDEDMP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000267474200 999344735 /nfs/dbraw/zinc/34/47/35/999344735.db2.gz YYCJINNDGGYHPV-QGZVFWFLSA-N 2 1 367.501 1.434 20 30 FDEDMP O=c1[nH]ccc2c1CN(CC#CC[N@H+]1CCc3cc[nH]c(=O)c3C1)CC2 ZINC000284056003 999775678 /nfs/dbraw/zinc/77/56/78/999775678.db2.gz JWVDHNGPICJMEF-UHFFFAOYSA-N 2 1 350.422 1.308 20 30 FDEDMP Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)c1C ZINC000931483447 1004200473 /nfs/dbraw/zinc/20/04/73/1004200473.db2.gz ABGRQARQGRDMDH-UHFFFAOYSA-N 2 1 372.513 1.939 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099428 1005930471 /nfs/dbraw/zinc/93/04/71/1005930471.db2.gz GMIDPTXILRQOIJ-HPBDAGMYSA-N 2 1 362.518 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099428 1005930472 /nfs/dbraw/zinc/93/04/72/1005930472.db2.gz GMIDPTXILRQOIJ-HPBDAGMYSA-N 2 1 362.518 1.131 20 30 FDEDMP C[N@@H+](CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CCCC1 ZINC000089120878 1006011238 /nfs/dbraw/zinc/01/12/38/1006011238.db2.gz ONCINDQHMGSVLQ-MRXNPFEDSA-N 2 1 365.522 1.741 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC000959968031 1009227128 /nfs/dbraw/zinc/22/71/28/1009227128.db2.gz RAUQWWOCUDSTRB-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000959968031 1009227140 /nfs/dbraw/zinc/22/71/40/1009227140.db2.gz RAUQWWOCUDSTRB-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000959968031 1009227144 /nfs/dbraw/zinc/22/71/44/1009227144.db2.gz RAUQWWOCUDSTRB-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[N@@H+]1C ZINC000959972974 1009235143 /nfs/dbraw/zinc/23/51/43/1009235143.db2.gz KYMSZXPNNUFEDJ-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[N@H+]1C ZINC000959972974 1009235154 /nfs/dbraw/zinc/23/51/54/1009235154.db2.gz KYMSZXPNNUFEDJ-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[NH+]1C ZINC000959972974 1009235165 /nfs/dbraw/zinc/23/51/65/1009235165.db2.gz KYMSZXPNNUFEDJ-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)CC[NH+]1C ZINC000959972974 1009235178 /nfs/dbraw/zinc/23/51/78/1009235178.db2.gz KYMSZXPNNUFEDJ-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)C(C)C ZINC000650667821 1012537354 /nfs/dbraw/zinc/53/73/54/1012537354.db2.gz WKAOGLJZDCHJOL-QZTJIDSGSA-N 2 1 350.507 1.145 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C(C)C ZINC000650667821 1012537366 /nfs/dbraw/zinc/53/73/66/1012537366.db2.gz WKAOGLJZDCHJOL-QZTJIDSGSA-N 2 1 350.507 1.145 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000551217803 543253633 /nfs/dbraw/zinc/25/36/33/543253633.db2.gz WTHKBVNJIANZNF-FGTMMUONSA-N 2 1 364.534 1.400 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CC1 ZINC000553395543 543625782 /nfs/dbraw/zinc/62/57/82/543625782.db2.gz KWTINMJSALPUKM-QGZVFWFLSA-N 2 1 364.534 1.333 20 30 FDEDMP Cc1[nH+]ccn1CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000299637058 259012588 /nfs/dbraw/zinc/01/25/88/259012588.db2.gz MOIAUCXRSHYJQA-UHFFFAOYSA-N 2 1 354.458 1.837 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000069017004 521782881 /nfs/dbraw/zinc/78/28/81/521782881.db2.gz UAXZDYWAWPJULH-KZNAEPCWSA-N 2 1 364.534 1.816 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000057171505 522021616 /nfs/dbraw/zinc/02/16/16/522021616.db2.gz YURIEHFABYJJGT-IBGZPJMESA-N 2 1 368.525 1.659 20 30 FDEDMP C[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052589839 523214822 /nfs/dbraw/zinc/21/48/22/523214822.db2.gz NBMJCUUXDAKLED-LJQANCHMSA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052589839 523214836 /nfs/dbraw/zinc/21/48/36/523214836.db2.gz NBMJCUUXDAKLED-LJQANCHMSA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000052589839 523214848 /nfs/dbraw/zinc/21/48/48/523214848.db2.gz NBMJCUUXDAKLED-LJQANCHMSA-N 2 1 355.486 1.870 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Br)cc1 ZINC000081749070 524176022 /nfs/dbraw/zinc/17/60/22/524176022.db2.gz QKOIRFBBUATMFC-UHFFFAOYSA-N 2 1 355.280 1.576 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000104180142 525398348 /nfs/dbraw/zinc/39/83/48/525398348.db2.gz KPTOUOJGRWOTMJ-XLIONFOSSA-N 2 1 373.545 1.796 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000104180142 525398357 /nfs/dbraw/zinc/39/83/57/525398357.db2.gz KPTOUOJGRWOTMJ-XLIONFOSSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000104180142 525398361 /nfs/dbraw/zinc/39/83/61/525398361.db2.gz KPTOUOJGRWOTMJ-XLIONFOSSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000104180142 525398368 /nfs/dbraw/zinc/39/83/68/525398368.db2.gz KPTOUOJGRWOTMJ-XLIONFOSSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000104180142 525398376 /nfs/dbraw/zinc/39/83/76/525398376.db2.gz KPTOUOJGRWOTMJ-XLIONFOSSA-N 3 1 373.545 1.796 20 30 FDEDMP CN(CC[N@@H+](C)C[C@H](O)COc1ccc(CC#N)cc1)C1CC[NH+](C)CC1 ZINC000119316580 525705991 /nfs/dbraw/zinc/70/59/91/525705991.db2.gz QJBYFIPNWGYKEO-FQEVSTJZSA-N 2 1 374.529 1.450 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000185954415 536222442 /nfs/dbraw/zinc/22/24/42/536222442.db2.gz BLRVQJOBQCDGOR-HNNXBMFYSA-N 2 1 358.408 1.959 20 30 FDEDMP CC[N@H+]1CC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000305024066 537597951 /nfs/dbraw/zinc/59/79/51/537597951.db2.gz OVOQEFMFCNEVPK-HUUCEWRRSA-N 2 1 351.495 1.209 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000561413810 545838941 /nfs/dbraw/zinc/83/89/41/545838941.db2.gz JLONZMKXOAUTJL-SFHVURJKSA-N 2 1 364.534 1.524 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000567009945 547962328 /nfs/dbraw/zinc/96/23/28/547962328.db2.gz HTBYWIFGUIVPGN-QGZVFWFLSA-N 2 1 357.458 1.007 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000567009945 547962331 /nfs/dbraw/zinc/96/23/31/547962331.db2.gz HTBYWIFGUIVPGN-QGZVFWFLSA-N 2 1 357.458 1.007 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccsc1C#N ZINC000593539644 552126968 /nfs/dbraw/zinc/12/69/68/552126968.db2.gz DMZUTNRAUXEUQO-CQSZACIVSA-N 2 1 370.544 1.656 20 30 FDEDMP C[NH+]1CCN([C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c2cccs2)CC1 ZINC000594439394 552310570 /nfs/dbraw/zinc/31/05/70/552310570.db2.gz QHGZWYGKEAORHH-HOTGVXAUSA-N 2 1 363.531 1.564 20 30 FDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000602844321 553649189 /nfs/dbraw/zinc/64/91/89/553649189.db2.gz AMQDUEQXYWDGHL-IBGZPJMESA-N 2 1 352.438 1.905 20 30 FDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848870 553650715 /nfs/dbraw/zinc/65/07/15/553650715.db2.gz OUVPNIAFAWHPRO-IBGZPJMESA-N 2 1 352.438 1.905 20 30 FDEDMP C[NH+]=C(NCc1sc(C)nc1C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000089072096 671491729 /nfs/dbraw/zinc/49/17/29/671491729.db2.gz UHJUKHAANVUFGK-HNNXBMFYSA-N 2 1 351.520 1.489 20 30 FDEDMP C[NH+]=C(NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)NCCN1CCOCC1 ZINC000104170124 671594725 /nfs/dbraw/zinc/59/47/25/671594725.db2.gz MMHOGXKWNJFELU-HDICACEKSA-N 2 1 353.555 1.242 20 30 FDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179091455 672154744 /nfs/dbraw/zinc/15/47/44/672154744.db2.gz QHYRJMKFPBEHND-KRWDZBQOSA-N 2 1 352.523 1.301 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(Cl)cc1 ZINC000303784020 676543159 /nfs/dbraw/zinc/54/31/59/676543159.db2.gz OWMONMDHOLRKLQ-OAHLLOKOSA-N 2 1 351.882 1.458 20 30 FDEDMP CCO[C@H]1C[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C12CCCCC2 ZINC000304781486 676544608 /nfs/dbraw/zinc/54/46/08/676544608.db2.gz GIQDNOFJRXULFT-IRXDYDNUSA-N 2 1 352.523 1.741 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305000636 676544843 /nfs/dbraw/zinc/54/48/43/676544843.db2.gz HCXCOLBTGWNJPD-HUUCEWRRSA-N 2 1 351.495 1.351 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364342190 677009048 /nfs/dbraw/zinc/00/90/48/677009048.db2.gz MAJVWRLIADTMBN-BRSBDYLESA-N 2 1 350.507 1.474 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000364342190 677009051 /nfs/dbraw/zinc/00/90/51/677009051.db2.gz MAJVWRLIADTMBN-BRSBDYLESA-N 2 1 350.507 1.474 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCOCC3)[C@H]2C)CC1 ZINC000377350376 678525140 /nfs/dbraw/zinc/52/51/40/678525140.db2.gz LJWULAJPWGIQHL-SJLPKXTDSA-N 2 1 350.507 1.532 20 30 FDEDMP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347428 680434484 /nfs/dbraw/zinc/43/44/84/680434484.db2.gz GQFIWUAAMBIMTG-IAGOWNOFSA-N 2 1 362.543 1.631 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000460257927 684526475 /nfs/dbraw/zinc/52/64/75/684526475.db2.gz KEGZSDHAPPYHJH-UHFFFAOYSA-N 2 1 353.555 1.552 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCN(C)CC[NH+](C)C)CC1 ZINC000460257927 684526478 /nfs/dbraw/zinc/52/64/78/684526478.db2.gz KEGZSDHAPPYHJH-UHFFFAOYSA-N 2 1 353.555 1.552 20 30 FDEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001087424120 805580773 /nfs/dbraw/zinc/58/07/73/805580773.db2.gz KJUYBCNRBCEFDG-VAMGGRTRSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001087424120 805580777 /nfs/dbraw/zinc/58/07/77/805580777.db2.gz KJUYBCNRBCEFDG-VAMGGRTRSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087424120 805580784 /nfs/dbraw/zinc/58/07/84/805580784.db2.gz KJUYBCNRBCEFDG-VAMGGRTRSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001087424120 805580788 /nfs/dbraw/zinc/58/07/88/805580788.db2.gz KJUYBCNRBCEFDG-VAMGGRTRSA-N 2 1 357.498 1.867 20 30 FDEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024444771 784706985 /nfs/dbraw/zinc/70/69/85/784706985.db2.gz CNEBMTYSWKXHGH-AQNXPRMDSA-N 2 1 361.530 1.727 20 30 FDEDMP C=CCN1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001024571604 785295733 /nfs/dbraw/zinc/29/57/33/785295733.db2.gz HPEHUQWDOMETMB-KURKYZTESA-N 2 1 351.491 1.023 20 30 FDEDMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978754995 805732906 /nfs/dbraw/zinc/73/29/06/805732906.db2.gz HTVFXRYOMBYPTR-XKRYSZRTSA-N 2 1 351.494 1.649 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978754995 805732910 /nfs/dbraw/zinc/73/29/10/805732910.db2.gz HTVFXRYOMBYPTR-XKRYSZRTSA-N 2 1 351.494 1.649 20 30 FDEDMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000978754995 805732915 /nfs/dbraw/zinc/73/29/15/805732915.db2.gz HTVFXRYOMBYPTR-XKRYSZRTSA-N 2 1 351.494 1.649 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC4CC(C)C4)C[C@@H]32)CC1 ZINC001083283581 791182588 /nfs/dbraw/zinc/18/25/88/791182588.db2.gz JJGDAENNEHPRNA-ZYKFHVCXSA-N 2 1 359.514 1.289 20 30 FDEDMP C=CCN1CC[C@H]([NH2+]CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)C1=O ZINC001104874485 794160457 /nfs/dbraw/zinc/16/04/57/794160457.db2.gz VZXTYVBSDDZICS-KURKYZTESA-N 2 1 364.534 1.189 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336571 806474086 /nfs/dbraw/zinc/47/40/86/806474086.db2.gz ZRERHRLQLDIWFF-KRWDZBQOSA-N 2 1 372.517 1.199 20 30 FDEDMP C=CC[C@]1(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754716 803063430 /nfs/dbraw/zinc/06/34/30/803063430.db2.gz UOGBMNYIGOVILM-QFBILLFUSA-N 2 1 362.543 1.851 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)CC[C@@H]2c2ccccc2)CC1 ZINC001087443741 809793093 /nfs/dbraw/zinc/79/30/93/809793093.db2.gz CEHNQSKMAVYGOV-NHCUHLMSSA-N 2 1 369.509 1.298 20 30 FDEDMP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261704510 811301006 /nfs/dbraw/zinc/30/10/06/811301006.db2.gz JMHKJTWWAAXBQX-RCOXNQKVSA-N 2 1 368.525 1.802 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261856745 811332419 /nfs/dbraw/zinc/33/24/19/811332419.db2.gz XYHLAMUJLDGTBL-MSOLQXFVSA-N 2 1 372.513 1.782 20 30 FDEDMP C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261873347 811336201 /nfs/dbraw/zinc/33/62/01/811336201.db2.gz ZZULRPQDIBOSHD-MRXNPFEDSA-N 2 1 360.458 1.145 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262004583 811364757 /nfs/dbraw/zinc/36/47/57/811364757.db2.gz VGWRFSJVQDFTRC-KBXCAEBGSA-N 2 1 367.501 1.723 20 30 FDEDMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)NC1CC[NH+](C)CC1 ZINC000328962342 819601032 /nfs/dbraw/zinc/60/10/32/819601032.db2.gz LAKRNNZBSCNDIC-MAUKXSAKSA-N 2 1 362.522 1.743 20 30 FDEDMP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000329372619 824759294 /nfs/dbraw/zinc/75/92/94/824759294.db2.gz JMFYSUCTYXUVGF-WNRNVDISSA-N 2 1 366.550 1.940 20 30 FDEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329372619 824759300 /nfs/dbraw/zinc/75/93/00/824759300.db2.gz JMFYSUCTYXUVGF-WNRNVDISSA-N 2 1 366.550 1.940 20 30 FDEDMP C[C@@H](NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329372619 824759306 /nfs/dbraw/zinc/75/93/06/824759306.db2.gz JMFYSUCTYXUVGF-WNRNVDISSA-N 2 1 366.550 1.940 20 30 FDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000526055500 828819724 /nfs/dbraw/zinc/81/97/24/828819724.db2.gz PRVBGXWDUFZCFD-BBWFWOEESA-N 2 1 362.518 1.759 20 30 FDEDMP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000526055500 828819735 /nfs/dbraw/zinc/81/97/35/828819735.db2.gz PRVBGXWDUFZCFD-BBWFWOEESA-N 2 1 362.518 1.759 20 30 FDEDMP CN1CC[NH+](CC2(C)CCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000330279288 825786180 /nfs/dbraw/zinc/78/61/80/825786180.db2.gz QUZIGPRQAKWDBW-QGZVFWFLSA-N 2 1 374.533 1.461 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)C1 ZINC001088200138 827434008 /nfs/dbraw/zinc/43/40/08/827434008.db2.gz QRFRUKOHYGBAJJ-QYZOEREBSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)C1 ZINC001088200138 827434012 /nfs/dbraw/zinc/43/40/12/827434012.db2.gz QRFRUKOHYGBAJJ-QYZOEREBSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)CC[C@@H]3C2)C1 ZINC001088200138 827434016 /nfs/dbraw/zinc/43/40/16/827434016.db2.gz QRFRUKOHYGBAJJ-QYZOEREBSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cncn4C)CC[C@@H]3C2)CC1 ZINC001088211906 827492569 /nfs/dbraw/zinc/49/25/69/827492569.db2.gz FPKYABDWDJGXEY-MOPGFXCFSA-N 2 1 369.513 1.046 20 30 FDEDMP C#CCC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001088234464 827598174 /nfs/dbraw/zinc/59/81/74/827598174.db2.gz SMYBJGXBTSPWDX-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001088234464 827598175 /nfs/dbraw/zinc/59/81/75/827598175.db2.gz SMYBJGXBTSPWDX-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001088234464 827598185 /nfs/dbraw/zinc/59/81/85/827598185.db2.gz SMYBJGXBTSPWDX-YZGWKJHDSA-N 2 1 361.530 1.679 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528375898 829369733 /nfs/dbraw/zinc/36/97/33/829369733.db2.gz DOPFPVUWHKTDBG-RTBURBONSA-N 2 1 358.486 1.010 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262824433 831551906 /nfs/dbraw/zinc/55/19/06/831551906.db2.gz ZIAZDVNQKPNLTK-QGZVFWFLSA-N 2 1 363.550 1.397 20 30 FDEDMP [NH2+]=C(NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)NC1CCC1 ZINC000263181544 832629174 /nfs/dbraw/zinc/62/91/74/832629174.db2.gz UIJAHTDRLDLJPW-UHFFFAOYSA-N 2 1 371.529 1.815 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001076567942 848460084 /nfs/dbraw/zinc/46/00/84/848460084.db2.gz NRWYHJIVRZACIN-JENIJYKNSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001076567942 848460089 /nfs/dbraw/zinc/46/00/89/848460089.db2.gz NRWYHJIVRZACIN-JENIJYKNSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001076567942 848460093 /nfs/dbraw/zinc/46/00/93/848460093.db2.gz NRWYHJIVRZACIN-JENIJYKNSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001076567942 848460096 /nfs/dbraw/zinc/46/00/96/848460096.db2.gz NRWYHJIVRZACIN-JENIJYKNSA-N 2 1 356.445 1.682 20 30 FDEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127608 849833558 /nfs/dbraw/zinc/83/35/58/849833558.db2.gz BNNRNXHXMFJTQQ-PWRODBHTSA-N 2 1 369.509 1.177 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C4CC4)no3)[C@@H]2C)CC1 ZINC001089059614 866386491 /nfs/dbraw/zinc/38/64/91/866386491.db2.gz UENOKJYFQFTTDV-BEFAXECRSA-N 2 1 370.497 1.976 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C4CC4)no3)[C@@H]2C)CC1 ZINC001089059614 866386506 /nfs/dbraw/zinc/38/65/06/866386506.db2.gz UENOKJYFQFTTDV-BEFAXECRSA-N 2 1 370.497 1.976 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(C)nc3C2)C[C@H]1C ZINC001106343212 874853108 /nfs/dbraw/zinc/85/31/08/874853108.db2.gz UWSJPNYARBQSCZ-DJIMGWMZSA-N 2 1 358.486 1.157 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414795 912223049 /nfs/dbraw/zinc/22/30/49/912223049.db2.gz VDCXAUBKOUKDAB-RTBURBONSA-N 2 1 356.470 1.358 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414795 912223070 /nfs/dbraw/zinc/22/30/70/912223070.db2.gz VDCXAUBKOUKDAB-RTBURBONSA-N 2 1 356.470 1.358 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414795 912223090 /nfs/dbraw/zinc/22/30/90/912223090.db2.gz VDCXAUBKOUKDAB-RTBURBONSA-N 2 1 356.470 1.358 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414795 912223111 /nfs/dbraw/zinc/22/31/11/912223111.db2.gz VDCXAUBKOUKDAB-RTBURBONSA-N 2 1 356.470 1.358 20 30 FDEDMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C1 ZINC001106860199 881177522 /nfs/dbraw/zinc/17/75/22/881177522.db2.gz NJEBYBSCSLWEFH-VAMGGRTRSA-N 2 1 363.546 1.975 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129003829 884990681 /nfs/dbraw/zinc/99/06/81/884990681.db2.gz IWQSMIXRSYXFSR-MLHJIOFPSA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129003829 884990691 /nfs/dbraw/zinc/99/06/91/884990691.db2.gz IWQSMIXRSYXFSR-MLHJIOFPSA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129003829 884990694 /nfs/dbraw/zinc/99/06/94/884990694.db2.gz IWQSMIXRSYXFSR-MLHJIOFPSA-N 2 1 360.506 1.316 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204545 886370921 /nfs/dbraw/zinc/37/09/21/886370921.db2.gz IFFSFAKVXYVYHD-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923402563 889142147 /nfs/dbraw/zinc/14/21/47/889142147.db2.gz YEKIHBFBRPJETH-ZNMIVQPWSA-N 2 1 357.376 1.757 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923402563 889142154 /nfs/dbraw/zinc/14/21/54/889142154.db2.gz YEKIHBFBRPJETH-ZNMIVQPWSA-N 2 1 357.376 1.757 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212451164 893392696 /nfs/dbraw/zinc/39/26/96/893392696.db2.gz QEQSIUMHXGZPJE-BRSBDYLESA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212451164 893392715 /nfs/dbraw/zinc/39/27/15/893392715.db2.gz QEQSIUMHXGZPJE-BRSBDYLESA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212451164 893392731 /nfs/dbraw/zinc/39/27/31/893392731.db2.gz QEQSIUMHXGZPJE-BRSBDYLESA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212451164 893392751 /nfs/dbraw/zinc/39/27/51/893392751.db2.gz QEQSIUMHXGZPJE-BRSBDYLESA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999986727 896517080 /nfs/dbraw/zinc/51/70/80/896517080.db2.gz JZIULMVKRSXTQM-FGTMMUONSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999986727 896517093 /nfs/dbraw/zinc/51/70/93/896517093.db2.gz JZIULMVKRSXTQM-FGTMMUONSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999986727 896517105 /nfs/dbraw/zinc/51/71/05/896517105.db2.gz JZIULMVKRSXTQM-FGTMMUONSA-N 2 1 360.506 1.448 20 30 FDEDMP C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083129027 901858337 /nfs/dbraw/zinc/85/83/37/901858337.db2.gz TZHPPPFWRUPAPO-KRWDZBQOSA-N 2 1 363.550 1.423 20 30 FDEDMP C[NH+]=C(NCC1(N2CCOCC2)CCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083129027 901858343 /nfs/dbraw/zinc/85/83/43/901858343.db2.gz TZHPPPFWRUPAPO-KRWDZBQOSA-N 2 1 363.550 1.423 20 30 FDEDMP C[NH+]=C(NCc1cccc(N2CCCC2=O)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083166991 901916499 /nfs/dbraw/zinc/91/64/99/901916499.db2.gz YSAZSQPYFOHAQA-INIZCTEOSA-N 2 1 355.486 1.715 20 30 FDEDMP C[NH+]=C(NCc1cccc(N2CCCC2=O)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083166991 901916503 /nfs/dbraw/zinc/91/65/03/901916503.db2.gz YSAZSQPYFOHAQA-INIZCTEOSA-N 2 1 355.486 1.715 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270324 902328739 /nfs/dbraw/zinc/32/87/39/902328739.db2.gz MSSBVEATPNFQIM-CEXWTWQISA-N 2 1 361.530 1.844 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273973 902337467 /nfs/dbraw/zinc/33/74/67/902337467.db2.gz ZSYRPKRYCRMTHP-IXDOHACOSA-N 2 1 367.921 1.630 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273973 902337474 /nfs/dbraw/zinc/33/74/74/902337474.db2.gz ZSYRPKRYCRMTHP-IXDOHACOSA-N 2 1 367.921 1.630 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654431345 902975201 /nfs/dbraw/zinc/97/52/01/902975201.db2.gz GXMNWMYAYNLFDJ-ZACQAIPSSA-N 2 1 352.523 1.824 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000654431345 902975211 /nfs/dbraw/zinc/97/52/11/902975211.db2.gz GXMNWMYAYNLFDJ-ZACQAIPSSA-N 2 1 352.523 1.824 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710864 903123155 /nfs/dbraw/zinc/12/31/55/903123155.db2.gz ZWVNQYMXCIVMNZ-HEFCMCLBSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710864 903123163 /nfs/dbraw/zinc/12/31/63/903123163.db2.gz ZWVNQYMXCIVMNZ-HEFCMCLBSA-N 2 1 370.472 1.976 20 30 FDEDMP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC001107172645 903548820 /nfs/dbraw/zinc/54/88/20/903548820.db2.gz FLDGPZBAQSNETQ-ZWKOTPCHSA-N 2 1 360.506 1.448 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080935479 906725188 /nfs/dbraw/zinc/72/51/88/906725188.db2.gz WMWNBGCITJBXCU-UWWQBHOKSA-N 2 1 356.470 1.455 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001080935479 906725210 /nfs/dbraw/zinc/72/52/10/906725210.db2.gz WMWNBGCITJBXCU-UWWQBHOKSA-N 2 1 356.470 1.455 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080935479 906725224 /nfs/dbraw/zinc/72/52/24/906725224.db2.gz WMWNBGCITJBXCU-UWWQBHOKSA-N 2 1 356.470 1.455 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080935479 906725231 /nfs/dbraw/zinc/72/52/31/906725231.db2.gz WMWNBGCITJBXCU-UWWQBHOKSA-N 2 1 356.470 1.455 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@H]2C)CC1 ZINC001080997611 906971204 /nfs/dbraw/zinc/97/12/04/906971204.db2.gz GVUMUTASXGTKHQ-DNVCBOLYSA-N 2 1 370.522 1.901 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]2C)CC1 ZINC001080997611 906971212 /nfs/dbraw/zinc/97/12/12/906971212.db2.gz GVUMUTASXGTKHQ-DNVCBOLYSA-N 2 1 370.522 1.901 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C4CC4)no3)C[C@H]2C)CC1 ZINC001080998154 906975727 /nfs/dbraw/zinc/97/57/27/906975727.db2.gz VDUKBTJFIGZBBI-FOIQADDNSA-N 2 1 370.497 1.834 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C4CC4)no3)C[C@H]2C)CC1 ZINC001080998154 906975730 /nfs/dbraw/zinc/97/57/30/906975730.db2.gz VDUKBTJFIGZBBI-FOIQADDNSA-N 2 1 370.497 1.834 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998794540 911692315 /nfs/dbraw/zinc/69/23/15/911692315.db2.gz ARMOXEQIOJOFQC-YOODTLSXSA-N 2 1 370.497 1.986 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092957 920810417 /nfs/dbraw/zinc/81/04/17/920810417.db2.gz XRQYRBIKNQGDFZ-AQNXPRMDSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092957 920810435 /nfs/dbraw/zinc/81/04/35/920810435.db2.gz XRQYRBIKNQGDFZ-AQNXPRMDSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)[C@H]3C2)C1 ZINC001085092957 920810458 /nfs/dbraw/zinc/81/04/58/920810458.db2.gz XRQYRBIKNQGDFZ-AQNXPRMDSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085159494 921883612 /nfs/dbraw/zinc/88/36/12/921883612.db2.gz WSVCEGGIZKOQTD-QRVBRYPASA-N 2 1 356.470 1.406 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001085159494 921883621 /nfs/dbraw/zinc/88/36/21/921883621.db2.gz WSVCEGGIZKOQTD-QRVBRYPASA-N 2 1 356.470 1.406 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000741206039 925630308 /nfs/dbraw/zinc/63/03/08/925630308.db2.gz VJERWTMZBOIZCG-GHTZIAJQSA-N 2 1 369.509 1.737 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000741206039 925630312 /nfs/dbraw/zinc/63/03/12/925630312.db2.gz VJERWTMZBOIZCG-GHTZIAJQSA-N 2 1 369.509 1.737 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729029 930261135 /nfs/dbraw/zinc/26/11/35/930261135.db2.gz PXBVGQJDYLBTCV-NCOADZHNSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729029 930261143 /nfs/dbraw/zinc/26/11/43/930261143.db2.gz PXBVGQJDYLBTCV-NCOADZHNSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729029 930261151 /nfs/dbraw/zinc/26/11/51/930261151.db2.gz PXBVGQJDYLBTCV-NCOADZHNSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729029 930261156 /nfs/dbraw/zinc/26/11/56/930261156.db2.gz PXBVGQJDYLBTCV-NCOADZHNSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567398 931640898 /nfs/dbraw/zinc/64/08/98/931640898.db2.gz MODWGNHHMCUDLO-PXNSSMCTSA-N 2 1 364.534 1.239 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129453823 938420980 /nfs/dbraw/zinc/42/09/80/938420980.db2.gz KUAWWCLAAZFIFA-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129900074 938559817 /nfs/dbraw/zinc/55/98/17/938559817.db2.gz ZPIYACLDJOMDHH-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001129980208 938595431 /nfs/dbraw/zinc/59/54/31/938595431.db2.gz DNLFHOOVZCTNKV-FJIDUMEYSA-N 2 1 360.506 1.316 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cn(C)cn1 ZINC001130649652 939944932 /nfs/dbraw/zinc/94/49/32/939944932.db2.gz ROSBTRBRRQPOCJ-WSTZPKSXSA-N 2 1 371.529 1.449 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000822935312 945318152 /nfs/dbraw/zinc/31/81/52/945318152.db2.gz PMJJBZBYQHDBJZ-DHZHZOJOSA-N 2 1 355.482 1.808 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003277 940429745 /nfs/dbraw/zinc/42/97/45/940429745.db2.gz BILKVGHSCONPJO-KZNAEPCWSA-N 2 1 357.502 1.202 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131007666 940433882 /nfs/dbraw/zinc/43/38/82/940433882.db2.gz FGVNXGPMSYNGEA-GUDVDZBRSA-N 2 1 371.529 1.590 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131054135 940480935 /nfs/dbraw/zinc/48/09/35/940480935.db2.gz TXFSARFCHMADQZ-IPMKNSEASA-N 2 1 371.529 1.449 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001131072426 940485411 /nfs/dbraw/zinc/48/54/11/940485411.db2.gz YGFBGGUFHNOYGX-IAGOWNOFSA-N 2 1 357.502 1.059 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316795 940551060 /nfs/dbraw/zinc/55/10/60/940551060.db2.gz WNXBCVIGENJNGP-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316795 940551061 /nfs/dbraw/zinc/55/10/61/940551061.db2.gz WNXBCVIGENJNGP-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316795 940551062 /nfs/dbraw/zinc/55/10/62/940551062.db2.gz WNXBCVIGENJNGP-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316795 940551063 /nfs/dbraw/zinc/55/10/63/940551063.db2.gz WNXBCVIGENJNGP-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccn2CC)C1 ZINC001086720584 941625172 /nfs/dbraw/zinc/62/51/72/941625172.db2.gz DHDBGQQPGYPVJK-KSZLIROESA-N 2 1 357.502 1.375 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccn2CC)C1 ZINC001086720584 941625175 /nfs/dbraw/zinc/62/51/75/941625175.db2.gz DHDBGQQPGYPVJK-KSZLIROESA-N 2 1 357.502 1.375 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000815652577 941933112 /nfs/dbraw/zinc/93/31/12/941933112.db2.gz IWFVXPXBOBLQNR-ROUUACIJSA-N 2 1 365.518 1.946 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000815652577 941933113 /nfs/dbraw/zinc/93/31/13/941933113.db2.gz IWFVXPXBOBLQNR-ROUUACIJSA-N 2 1 365.518 1.946 20 30 FDEDMP C=CCN(CC(=O)OCC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000816954662 942401181 /nfs/dbraw/zinc/40/11/81/942401181.db2.gz HLZMQSOXACFROX-UHFFFAOYSA-N 2 1 365.518 1.760 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640701 971104848 /nfs/dbraw/zinc/10/48/48/971104848.db2.gz LEPPFAINCAONOI-BHIYHBOVSA-N 2 1 362.518 1.886 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640701 971104855 /nfs/dbraw/zinc/10/48/55/971104855.db2.gz LEPPFAINCAONOI-BHIYHBOVSA-N 2 1 362.518 1.886 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597171 971245778 /nfs/dbraw/zinc/24/57/78/971245778.db2.gz FMSFUJRYGVMOPE-APWZRJJASA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597171 971245784 /nfs/dbraw/zinc/24/57/84/971245784.db2.gz FMSFUJRYGVMOPE-APWZRJJASA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597171 971245791 /nfs/dbraw/zinc/24/57/91/971245791.db2.gz FMSFUJRYGVMOPE-APWZRJJASA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597171 971245798 /nfs/dbraw/zinc/24/57/98/971245798.db2.gz FMSFUJRYGVMOPE-APWZRJJASA-N 2 1 358.486 1.513 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185507 971497705 /nfs/dbraw/zinc/49/77/05/971497705.db2.gz WZRJBRQZCDIIKH-BMGDILEWSA-N 2 1 362.474 1.400 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)C1 ZINC001196185507 971497709 /nfs/dbraw/zinc/49/77/09/971497709.db2.gz WZRJBRQZCDIIKH-BMGDILEWSA-N 2 1 362.474 1.400 20 30 FDEDMP CC#CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401078 951574298 /nfs/dbraw/zinc/57/42/98/951574298.db2.gz SCALOWBFDAYMCM-LSTHTHJFSA-N 2 1 370.497 1.514 20 30 FDEDMP CC#CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2)C1 ZINC001091401078 951574304 /nfs/dbraw/zinc/57/43/04/951574304.db2.gz SCALOWBFDAYMCM-LSTHTHJFSA-N 2 1 370.497 1.514 20 30 FDEDMP CC#CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091401078 951574321 /nfs/dbraw/zinc/57/43/21/951574321.db2.gz SCALOWBFDAYMCM-LSTHTHJFSA-N 2 1 370.497 1.514 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000190 953049495 /nfs/dbraw/zinc/04/94/95/953049495.db2.gz KNUWAOFWVHNGSH-ZWKOTPCHSA-N 2 1 370.501 1.900 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](OCC)C1 ZINC001087059935 953202899 /nfs/dbraw/zinc/20/28/99/953202899.db2.gz BRALBIMSCCJXGL-YZGWKJHDSA-N 2 1 370.497 1.132 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccccn2)[C@H](OCC)C1 ZINC001087059935 953202901 /nfs/dbraw/zinc/20/29/01/953202901.db2.gz BRALBIMSCCJXGL-YZGWKJHDSA-N 2 1 370.497 1.132 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273994 954660171 /nfs/dbraw/zinc/66/01/71/954660171.db2.gz YNVRBJSFEGKNAA-SBHAEUEKSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273994 954660177 /nfs/dbraw/zinc/66/01/77/954660177.db2.gz YNVRBJSFEGKNAA-SBHAEUEKSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273994 954660185 /nfs/dbraw/zinc/66/01/85/954660185.db2.gz YNVRBJSFEGKNAA-SBHAEUEKSA-N 2 1 352.482 1.790 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132858 957616210 /nfs/dbraw/zinc/61/62/10/957616210.db2.gz CTGPJHHNYGNRNX-IEBWSBKVSA-N 2 1 369.484 1.957 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001093213267 957831634 /nfs/dbraw/zinc/83/16/34/957831634.db2.gz XZZKRJQBNUMLAL-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001093213267 957831639 /nfs/dbraw/zinc/83/16/39/957831639.db2.gz XZZKRJQBNUMLAL-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001093213267 957831648 /nfs/dbraw/zinc/83/16/48/957831648.db2.gz XZZKRJQBNUMLAL-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001093213267 957831658 /nfs/dbraw/zinc/83/16/58/957831658.db2.gz XZZKRJQBNUMLAL-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)s2)[C@H](C)C1 ZINC001093832867 958925862 /nfs/dbraw/zinc/92/58/62/958925862.db2.gz DTNWFGJUAWUFFQ-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(C)s2)[C@H](C)C1 ZINC001093832867 958925864 /nfs/dbraw/zinc/92/58/64/958925864.db2.gz DTNWFGJUAWUFFQ-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001094219469 960037169 /nfs/dbraw/zinc/03/71/69/960037169.db2.gz LTHOXFFJICXNRB-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP N#Cc1ccc(C(=O)N2CCC([NH2+][C@]3(C[NH3+])CN4CCC3CC4)CC2)cc1 ZINC001173424577 962127706 /nfs/dbraw/zinc/12/77/06/962127706.db2.gz ITXFQUUJBMSDHI-OAQYLSRUSA-N 2 1 367.497 1.176 20 30 FDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001183045022 962757970 /nfs/dbraw/zinc/75/79/70/962757970.db2.gz QQWCZZRKBPSTEX-UHFFFAOYSA-N 2 1 353.470 1.859 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@@H]2C1 ZINC001188518612 966355582 /nfs/dbraw/zinc/35/55/82/966355582.db2.gz XWTOOGJYCALDSO-QFBILLFUSA-N 2 1 367.453 1.616 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189391037 966935490 /nfs/dbraw/zinc/93/54/90/966935490.db2.gz OGPLWDGJPCJDSS-ZIFCJYIRSA-N 2 1 359.518 1.946 20 30 FDEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189470435 966982255 /nfs/dbraw/zinc/98/22/55/966982255.db2.gz IAFQVTFBOUIYHH-AZUAARDMSA-N 2 1 370.497 1.963 20 30 FDEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21 ZINC001189793887 967270454 /nfs/dbraw/zinc/27/04/54/967270454.db2.gz JOQAOXQIZOQCPT-RBUKOAKNSA-N 2 1 356.470 1.169 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849516223 977709307 /nfs/dbraw/zinc/70/93/07/977709307.db2.gz HCAOPXRALPBAOD-PMACEKPBSA-N 2 1 371.529 1.402 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849516223 977709316 /nfs/dbraw/zinc/70/93/16/977709316.db2.gz HCAOPXRALPBAOD-PMACEKPBSA-N 2 1 371.529 1.402 20 30 FDEDMP C#CCC1(O)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000880479231 979219714 /nfs/dbraw/zinc/21/97/14/979219714.db2.gz QSUPWPHQWOREEH-UHFFFAOYSA-N 2 1 369.509 1.749 20 30 FDEDMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)C2)cc1 ZINC000884465911 983171397 /nfs/dbraw/zinc/17/13/97/983171397.db2.gz MSCDJKMVNZQOQQ-LSNYBQGISA-N 2 1 352.482 1.825 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871050810 986617508 /nfs/dbraw/zinc/61/75/08/986617508.db2.gz KDCNOUHXAMBWDZ-MLHJIOFPSA-N 2 1 372.517 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000871050810 986617514 /nfs/dbraw/zinc/61/75/14/986617514.db2.gz KDCNOUHXAMBWDZ-MLHJIOFPSA-N 2 1 372.517 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000871050810 986617521 /nfs/dbraw/zinc/61/75/21/986617521.db2.gz KDCNOUHXAMBWDZ-MLHJIOFPSA-N 2 1 372.517 1.530 20 30 FDEDMP CN(C(=O)COc1ccccc1C#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370829366 990023513 /nfs/dbraw/zinc/02/35/13/990023513.db2.gz GAWNXBCHZKUPPF-SFHVURJKSA-N 2 1 356.470 1.564 20 30 FDEDMP CN(C(=O)COc1ccccc1C#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370829366 990023530 /nfs/dbraw/zinc/02/35/30/990023530.db2.gz GAWNXBCHZKUPPF-SFHVURJKSA-N 2 1 356.470 1.564 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000876620825 992747537 /nfs/dbraw/zinc/74/75/37/992747537.db2.gz QAIGSLXLWNXIGC-LBPRGKRZSA-N 2 1 357.804 1.570 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000876780002 992905007 /nfs/dbraw/zinc/90/50/07/992905007.db2.gz AKDNJBCRZBHHEB-RDJZCZTQSA-N 2 1 350.894 1.783 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374786239 992942229 /nfs/dbraw/zinc/94/22/29/992942229.db2.gz ZBEUSZWQVZIVHM-HNNXBMFYSA-N 2 1 359.474 1.630 20 30 FDEDMP C[C@@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000924995687 995221757 /nfs/dbraw/zinc/22/17/57/995221757.db2.gz XXKJTSZDWABOGO-HOTGVXAUSA-N 2 1 368.522 1.818 20 30 FDEDMP Cc1ccc([C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)[NH+](C)C)cc1 ZINC000264123731 997407242 /nfs/dbraw/zinc/40/72/42/997407242.db2.gz VRTXMLYAUPQFJV-SFHVURJKSA-N 2 1 367.501 1.525 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000265479740 997800692 /nfs/dbraw/zinc/80/06/92/997800692.db2.gz SDUDZXALIJDFGA-SFHVURJKSA-N 2 1 369.513 1.054 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000890371470 998917617 /nfs/dbraw/zinc/91/76/17/998917617.db2.gz WBUJOVIUSFCAIU-CTNGQTDRSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000890371470 998917619 /nfs/dbraw/zinc/91/76/19/998917619.db2.gz WBUJOVIUSFCAIU-CTNGQTDRSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000890371470 998917625 /nfs/dbraw/zinc/91/76/25/998917625.db2.gz WBUJOVIUSFCAIU-CTNGQTDRSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000890371470 998917627 /nfs/dbraw/zinc/91/76/27/998917627.db2.gz WBUJOVIUSFCAIU-CTNGQTDRSA-N 2 1 370.497 1.020 20 30 FDEDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])NC3CCCC3)c2)C1 ZINC000267417847 999330407 /nfs/dbraw/zinc/33/04/07/999330407.db2.gz JQFZSGHKOFOMQY-QGZVFWFLSA-N 2 1 357.502 1.731 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000267440952 999335831 /nfs/dbraw/zinc/33/58/31/999335831.db2.gz PBUBUVSLILMJOB-UHFFFAOYSA-N 2 1 374.464 1.181 20 30 FDEDMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000269480369 999468676 /nfs/dbraw/zinc/46/86/76/999468676.db2.gz WGZAWNZIAZUVRN-KRWDZBQOSA-N 2 1 359.522 1.281 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000271686794 999725128 /nfs/dbraw/zinc/72/51/28/999725128.db2.gz QMDWDCOHQARBSW-VQIMIIECSA-N 2 1 358.486 1.682 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000286354444 999943968 /nfs/dbraw/zinc/94/39/68/999943968.db2.gz BPQMZNXMCPFTAX-QGZVFWFLSA-N 2 1 372.513 1.390 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000928654015 1001610588 /nfs/dbraw/zinc/61/05/88/1001610588.db2.gz KGCSQTXTKJQBIE-HXUWFJFHSA-N 2 1 355.482 1.398 20 30 FDEDMP C[C@@H]1CCCC[N@H+]1CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120442 1006010754 /nfs/dbraw/zinc/01/07/54/1006010754.db2.gz VGHBCPFAJCGKAP-CVEARBPZSA-N 2 1 365.522 1.741 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000303887006 1009674094 /nfs/dbraw/zinc/67/40/94/1009674094.db2.gz KQFJZUDJTPJNIJ-AZUAARDMSA-N 2 1 372.561 1.586 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000303887008 1009674414 /nfs/dbraw/zinc/67/44/14/1009674414.db2.gz KQFJZUDJTPJNIJ-ICSRJNTNSA-N 2 1 372.561 1.586 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)N1CCc2ccccc21 ZINC000304764667 1010490211 /nfs/dbraw/zinc/49/02/11/1010490211.db2.gz YITVXNZDLINRPZ-QGZVFWFLSA-N 2 1 357.502 1.745 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccc(C#N)cc2)O1 ZINC000960715394 1011238258 /nfs/dbraw/zinc/23/82/58/1011238258.db2.gz BSUBEILKMUCFRK-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccc(C#N)cc2)O1 ZINC000960715394 1011238266 /nfs/dbraw/zinc/23/82/66/1011238266.db2.gz BSUBEILKMUCFRK-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccc(C#N)cc2)O1 ZINC000960715394 1011238282 /nfs/dbraw/zinc/23/82/82/1011238282.db2.gz BSUBEILKMUCFRK-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccc(C#N)cc2)O1 ZINC000960715394 1011238295 /nfs/dbraw/zinc/23/82/95/1011238295.db2.gz BSUBEILKMUCFRK-NSISKUIASA-N 2 1 370.497 1.700 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407227 1012189001 /nfs/dbraw/zinc/18/90/01/1012189001.db2.gz OOVRCAAYEWNJNI-MLHJIOFPSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111407227 1012189004 /nfs/dbraw/zinc/18/90/04/1012189004.db2.gz OOVRCAAYEWNJNI-MLHJIOFPSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111407227 1012189015 /nfs/dbraw/zinc/18/90/15/1012189015.db2.gz OOVRCAAYEWNJNI-MLHJIOFPSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111407227 1012189025 /nfs/dbraw/zinc/18/90/25/1012189025.db2.gz OOVRCAAYEWNJNI-MLHJIOFPSA-N 2 1 362.518 1.084 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000374872882 261216027 /nfs/dbraw/zinc/21/60/27/261216027.db2.gz CGDMYVVERVMLGW-UHFFFAOYSA-N 2 1 355.486 1.234 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000374872882 261216029 /nfs/dbraw/zinc/21/60/29/261216029.db2.gz CGDMYVVERVMLGW-UHFFFAOYSA-N 2 1 355.486 1.234 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958286 523099793 /nfs/dbraw/zinc/09/97/93/523099793.db2.gz GESLWBQKXHWTCE-LPHOPBHVSA-N 2 1 350.507 1.474 20 30 FDEDMP C[NH+]=C(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)NC1CC1 ZINC000103338061 525348784 /nfs/dbraw/zinc/34/87/84/525348784.db2.gz SNZDZMZTLHTFBC-UHFFFAOYSA-N 2 1 359.474 1.175 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCOCC2)c1 ZINC000104164648 525398052 /nfs/dbraw/zinc/39/80/52/525398052.db2.gz UJZZALBKVRHCJM-LJQANCHMSA-N 2 1 359.518 1.407 20 30 FDEDMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cn3ccccc3c2C#N)CC1 ZINC000171657365 526063276 /nfs/dbraw/zinc/06/32/76/526063276.db2.gz QTGMHSRKEJPMJH-UHFFFAOYSA-N 2 1 353.470 1.701 20 30 FDEDMP CCC[N@H+]1CC[C@H](CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000133915475 526104841 /nfs/dbraw/zinc/10/48/41/526104841.db2.gz SCDMOQCZOKCORN-CVEARBPZSA-N 2 1 365.522 1.599 20 30 FDEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246414344 536948287 /nfs/dbraw/zinc/94/82/87/536948287.db2.gz RPTJTSUWXCYLCI-FGTMMUONSA-N 2 1 364.534 1.958 20 30 FDEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)N1CCc2ccccc21 ZINC000263242466 536998962 /nfs/dbraw/zinc/99/89/62/536998962.db2.gz LSDJDKSMURXLMT-UHFFFAOYSA-N 2 1 364.497 1.972 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000247288327 537103784 /nfs/dbraw/zinc/10/37/84/537103784.db2.gz SYCFYAYXDQHRGG-FXAWDEMLSA-N 2 1 354.498 1.753 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1Br ZINC000264098980 537137057 /nfs/dbraw/zinc/13/70/57/537137057.db2.gz NNWYSHZDPHIDIM-UHFFFAOYSA-N 2 1 369.307 1.618 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000303977049 537598415 /nfs/dbraw/zinc/59/84/15/537598415.db2.gz KTLCALJSSAEPSF-CQSZACIVSA-N 2 1 357.462 1.369 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000303977049 537598418 /nfs/dbraw/zinc/59/84/18/537598418.db2.gz KTLCALJSSAEPSF-CQSZACIVSA-N 2 1 357.462 1.369 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000303977049 537598424 /nfs/dbraw/zinc/59/84/24/537598424.db2.gz KTLCALJSSAEPSF-CQSZACIVSA-N 2 1 357.462 1.369 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369375058 538015570 /nfs/dbraw/zinc/01/55/70/538015570.db2.gz VMKJKUGWCALPDJ-GOSISDBHSA-N 2 1 363.550 1.495 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369375058 538015576 /nfs/dbraw/zinc/01/55/76/538015576.db2.gz VMKJKUGWCALPDJ-GOSISDBHSA-N 2 1 363.550 1.495 20 30 FDEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577267923 550638331 /nfs/dbraw/zinc/63/83/31/550638331.db2.gz SPJZRCGHHXSMBP-OALUTQOASA-N 2 1 370.497 1.972 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COc2c(OC)cccc2OC)CC1 ZINC000578186394 550736980 /nfs/dbraw/zinc/73/69/80/550736980.db2.gz KPBGIEPOKAVYOU-INIZCTEOSA-N 2 1 350.459 1.684 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000580952295 551036681 /nfs/dbraw/zinc/03/66/81/551036681.db2.gz VFRBTHBLEFOVGM-GOSISDBHSA-N 2 1 353.474 1.201 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000580952295 551036682 /nfs/dbraw/zinc/03/66/82/551036682.db2.gz VFRBTHBLEFOVGM-GOSISDBHSA-N 2 1 353.474 1.201 20 30 FDEDMP COCC[N@@H+](C)C[C@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000583434151 551351056 /nfs/dbraw/zinc/35/10/56/551351056.db2.gz HEYIGUYRMMJRDF-FQEVSTJZSA-N 2 1 360.502 1.005 20 30 FDEDMP COCC[NH+](C)C[C@H](O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000583434151 551351057 /nfs/dbraw/zinc/35/10/57/551351057.db2.gz HEYIGUYRMMJRDF-FQEVSTJZSA-N 2 1 360.502 1.005 20 30 FDEDMP COCC[NH+](C)C[C@H](O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000583434151 551351060 /nfs/dbraw/zinc/35/10/60/551351060.db2.gz HEYIGUYRMMJRDF-FQEVSTJZSA-N 2 1 360.502 1.005 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CC)CC2)CC1 ZINC000592488237 552001016 /nfs/dbraw/zinc/00/10/16/552001016.db2.gz ALTRYSKXAFMYSD-UHFFFAOYSA-N 2 1 351.539 1.354 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000594437896 552309688 /nfs/dbraw/zinc/30/96/88/552309688.db2.gz LJEDHOXWLZDNQB-SJLPKXTDSA-N 2 1 371.485 1.734 20 30 FDEDMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N ZINC000600708250 553305097 /nfs/dbraw/zinc/30/50/97/553305097.db2.gz DTHHDYNYLHXSSK-RBUKOAKNSA-N 2 1 353.470 1.587 20 30 FDEDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N ZINC000600708250 553305098 /nfs/dbraw/zinc/30/50/98/553305098.db2.gz DTHHDYNYLHXSSK-RBUKOAKNSA-N 2 1 353.470 1.587 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000103911808 671593287 /nfs/dbraw/zinc/59/32/87/671593287.db2.gz DOIHJMOFEMCNSS-INIZCTEOSA-N 2 1 365.547 1.382 20 30 FDEDMP CCN1CC[NH+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)CC1 ZINC000104166044 671594822 /nfs/dbraw/zinc/59/48/22/671594822.db2.gz YQIWRLPMQHSRDQ-UHFFFAOYSA-N 2 1 361.559 1.688 20 30 FDEDMP COc1cccc(O[C@@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000267453616 673305846 /nfs/dbraw/zinc/30/58/46/673305846.db2.gz SBXHPZJERHXGRE-HNNXBMFYSA-N 2 1 350.463 1.089 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303882805 676543531 /nfs/dbraw/zinc/54/35/31/676543531.db2.gz LVQOCBXJEBELSV-CALCHBBNSA-N 2 1 353.555 1.240 20 30 FDEDMP C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000329696562 676650024 /nfs/dbraw/zinc/65/00/24/676650024.db2.gz DOKXXMROTSESTK-JKSUJKDBSA-N 2 1 352.523 1.600 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369388119 677505446 /nfs/dbraw/zinc/50/54/46/677505446.db2.gz FCKSCZGFLZYORO-RBUKOAKNSA-N 2 1 350.551 1.900 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000369463331 677505562 /nfs/dbraw/zinc/50/55/62/677505562.db2.gz NZPZUUZLZYCVOY-INIZCTEOSA-N 2 1 350.507 1.532 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374616313 678088452 /nfs/dbraw/zinc/08/84/52/678088452.db2.gz YYQSVPZMHORJIA-ROUUACIJSA-N 2 1 350.551 1.900 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374616313 678088456 /nfs/dbraw/zinc/08/84/56/678088456.db2.gz YYQSVPZMHORJIA-ROUUACIJSA-N 2 1 350.551 1.900 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294610 773895031 /nfs/dbraw/zinc/89/50/31/773895031.db2.gz TWJDVIQOKYBWRL-BRWVUGGUSA-N 2 1 364.534 1.236 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001104306181 774435868 /nfs/dbraw/zinc/43/58/68/774435868.db2.gz PFSAIHQBZPSMHE-RLLQIKCJSA-N 2 1 354.498 1.753 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cccnc2)C1 ZINC001104306181 774435871 /nfs/dbraw/zinc/43/58/71/774435871.db2.gz PFSAIHQBZPSMHE-RLLQIKCJSA-N 2 1 354.498 1.753 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104363009 777482363 /nfs/dbraw/zinc/48/23/63/777482363.db2.gz UTHXWBJETIDLJW-HZPDHXFCSA-N 2 1 352.523 1.093 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668843351 788916402 /nfs/dbraw/zinc/91/64/02/788916402.db2.gz PGUGLJUXJKUKPU-INIZCTEOSA-N 2 1 350.507 1.132 20 30 FDEDMP C[N@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626209 792340667 /nfs/dbraw/zinc/34/06/67/792340667.db2.gz MADJTTOEOLAIJQ-SFHVURJKSA-N 2 1 352.486 1.806 20 30 FDEDMP C[N@@H+](Cc1cnc2ccc(C#N)cn12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626209 792340679 /nfs/dbraw/zinc/34/06/79/792340679.db2.gz MADJTTOEOLAIJQ-SFHVURJKSA-N 2 1 352.486 1.806 20 30 FDEDMP CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000893024801 792502681 /nfs/dbraw/zinc/50/26/81/792502681.db2.gz VZXWQTURZFFYMD-OAHLLOKOSA-N 2 1 361.515 1.930 20 30 FDEDMP CN(Cc1cc(C#N)cs1)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000893024801 792502689 /nfs/dbraw/zinc/50/26/89/792502689.db2.gz VZXWQTURZFFYMD-OAHLLOKOSA-N 2 1 361.515 1.930 20 30 FDEDMP C=CC[C@]1(C(=O)Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662690989 806967729 /nfs/dbraw/zinc/96/77/29/806967729.db2.gz FHCPXXQXIGSSOE-HXUWFJFHSA-N 2 1 356.470 1.711 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978178667 805257636 /nfs/dbraw/zinc/25/76/36/805257636.db2.gz LBWFYIKOWJGICC-RFBLXINOSA-N 2 1 370.335 1.919 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978178667 805257643 /nfs/dbraw/zinc/25/76/43/805257643.db2.gz LBWFYIKOWJGICC-RFBLXINOSA-N 2 1 370.335 1.919 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC000978178667 805257645 /nfs/dbraw/zinc/25/76/45/805257645.db2.gz LBWFYIKOWJGICC-RFBLXINOSA-N 2 1 370.335 1.919 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC000978185264 805284203 /nfs/dbraw/zinc/28/42/03/805284203.db2.gz VEEZXWCMLWUPOB-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000978185264 805284214 /nfs/dbraw/zinc/28/42/14/805284214.db2.gz VEEZXWCMLWUPOB-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000978185264 805284221 /nfs/dbraw/zinc/28/42/21/805284221.db2.gz VEEZXWCMLWUPOB-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[NH+]=C(NC[C@H](C)c1c(C)noc1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261714006 810186860 /nfs/dbraw/zinc/18/68/60/810186860.db2.gz KFNNYZVHTHONAR-YOEHRIQHSA-N 2 1 363.506 1.624 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CCN(c2ccccc2)CC1 ZINC000280114195 811722797 /nfs/dbraw/zinc/72/27/97/811722797.db2.gz YYEPHZGJDPECBR-UHFFFAOYSA-N 2 1 359.518 1.530 20 30 FDEDMP N#Cc1ccccc1NC(=O)CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000514866764 816019206 /nfs/dbraw/zinc/01/92/06/816019206.db2.gz WSFRKZLQIHQOLJ-UHFFFAOYSA-N 2 1 356.470 1.713 20 30 FDEDMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261964264 817818817 /nfs/dbraw/zinc/81/88/17/817818817.db2.gz AQMQVEJOHVFHOW-CALCHBBNSA-N 2 1 373.549 1.670 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087475290 818310515 /nfs/dbraw/zinc/31/05/15/818310515.db2.gz ANHVCIMNBKDSDV-SFTDATJTSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001087475290 818310522 /nfs/dbraw/zinc/31/05/22/818310522.db2.gz ANHVCIMNBKDSDV-SFTDATJTSA-N 2 1 369.509 1.944 20 30 FDEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000328987508 819606066 /nfs/dbraw/zinc/60/60/66/819606066.db2.gz UPEIQLHMRDASCO-IRXDYDNUSA-N 2 1 374.533 1.662 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000525510079 828634969 /nfs/dbraw/zinc/63/49/69/828634969.db2.gz XEAHCPSIJNXJTE-OAQYLSRUSA-N 2 1 372.513 1.573 20 30 FDEDMP C[C@H]1C[C@@H](NC(NCC(=O)N(C)C)=[NH+][C@H]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000262271535 824498633 /nfs/dbraw/zinc/49/86/33/824498633.db2.gz GWNSMRGANQLIBU-HPFXQQBRSA-N 2 1 363.550 1.814 20 30 FDEDMP CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329281445 824713690 /nfs/dbraw/zinc/71/36/90/824713690.db2.gz MMQCPMXJOOTVFD-VEHMJYNQSA-N 2 1 364.534 1.835 20 30 FDEDMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000329961690 825567848 /nfs/dbraw/zinc/56/78/48/825567848.db2.gz RSXYSWBNNFXYSO-CVEARBPZSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000329961690 825567852 /nfs/dbraw/zinc/56/78/52/825567852.db2.gz RSXYSWBNNFXYSO-CVEARBPZSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961690 825567855 /nfs/dbraw/zinc/56/78/55/825567855.db2.gz RSXYSWBNNFXYSO-CVEARBPZSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961690 825567859 /nfs/dbraw/zinc/56/78/59/825567859.db2.gz RSXYSWBNNFXYSO-CVEARBPZSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000526055501 828820133 /nfs/dbraw/zinc/82/01/33/828820133.db2.gz PRVBGXWDUFZCFD-BRWVUGGUSA-N 2 1 362.518 1.759 20 30 FDEDMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000330327430 825917409 /nfs/dbraw/zinc/91/74/09/825917409.db2.gz KXRCXYLDCIRRRV-KVSKMBFKSA-N 2 1 374.533 1.886 20 30 FDEDMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000330327430 825917413 /nfs/dbraw/zinc/91/74/13/825917413.db2.gz KXRCXYLDCIRRRV-KVSKMBFKSA-N 2 1 374.533 1.886 20 30 FDEDMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000330327430 825917416 /nfs/dbraw/zinc/91/74/16/825917416.db2.gz KXRCXYLDCIRRRV-KVSKMBFKSA-N 2 1 374.533 1.886 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)s1 ZINC001088172089 827242337 /nfs/dbraw/zinc/24/23/37/827242337.db2.gz VVILMESWUXFDKB-CVEARBPZSA-N 2 1 370.522 1.996 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001088199850 827433508 /nfs/dbraw/zinc/43/35/08/827433508.db2.gz FNVPMPHNXNUYPJ-HKBOAZHASA-N 2 1 351.494 1.770 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001088199850 827433510 /nfs/dbraw/zinc/43/35/10/827433510.db2.gz FNVPMPHNXNUYPJ-HKBOAZHASA-N 2 1 351.494 1.770 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccccc4)CC[C@@H]3C2)C1 ZINC001088199850 827433512 /nfs/dbraw/zinc/43/35/12/827433512.db2.gz FNVPMPHNXNUYPJ-HKBOAZHASA-N 2 1 351.494 1.770 20 30 FDEDMP CC(C)(C)c1ccc(OCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000303787150 827926113 /nfs/dbraw/zinc/92/61/13/827926113.db2.gz SEOKJGRVQNWIGQ-UHFFFAOYSA-N 2 1 362.518 1.990 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccccc3C#N)C2)O1 ZINC001029767634 828033916 /nfs/dbraw/zinc/03/39/16/828033916.db2.gz WKMONUMNDACSQB-MBOZVWFJSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccccc3C#N)C2)O1 ZINC001029767634 828033927 /nfs/dbraw/zinc/03/39/27/828033927.db2.gz WKMONUMNDACSQB-MBOZVWFJSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001029767634 828033934 /nfs/dbraw/zinc/03/39/34/828033934.db2.gz WKMONUMNDACSQB-MBOZVWFJSA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccccc3C#N)C2)O1 ZINC001029767634 828033944 /nfs/dbraw/zinc/03/39/44/828033944.db2.gz WKMONUMNDACSQB-MBOZVWFJSA-N 2 1 370.497 1.558 20 30 FDEDMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083521638 846092216 /nfs/dbraw/zinc/09/22/16/846092216.db2.gz BIAOSHGDEZLFQX-ZCNNSNEGSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083521638 846092219 /nfs/dbraw/zinc/09/22/19/846092219.db2.gz BIAOSHGDEZLFQX-ZCNNSNEGSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083521638 846092224 /nfs/dbraw/zinc/09/22/24/846092224.db2.gz BIAOSHGDEZLFQX-ZCNNSNEGSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083521638 846092230 /nfs/dbraw/zinc/09/22/30/846092230.db2.gz BIAOSHGDEZLFQX-ZCNNSNEGSA-N 2 1 370.497 1.197 20 30 FDEDMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076242627 847665656 /nfs/dbraw/zinc/66/56/56/847665656.db2.gz LXVAOJDRHZNEJW-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076242627 847665661 /nfs/dbraw/zinc/66/56/61/847665661.db2.gz LXVAOJDRHZNEJW-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076242627 847665668 /nfs/dbraw/zinc/66/56/68/847665668.db2.gz LXVAOJDRHZNEJW-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076242627 847665678 /nfs/dbraw/zinc/66/56/78/847665678.db2.gz LXVAOJDRHZNEJW-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cncc(F)c4)C[C@H]32)CC1 ZINC001076604384 848552724 /nfs/dbraw/zinc/55/27/24/848552724.db2.gz BTLVEXDENJTIAR-AZUAARDMSA-N 2 1 370.472 1.599 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cncc(F)c4)C[C@H]32)CC1 ZINC001076604384 848552727 /nfs/dbraw/zinc/55/27/27/848552727.db2.gz BTLVEXDENJTIAR-AZUAARDMSA-N 2 1 370.472 1.599 20 30 FDEDMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000911922324 859111105 /nfs/dbraw/zinc/11/11/05/859111105.db2.gz XCBNRPNSNRVLHN-ICSRJNTNSA-N 2 1 356.470 1.094 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)s3)[C@@H]2C)CC1 ZINC001089059292 866384670 /nfs/dbraw/zinc/38/46/70/866384670.db2.gz HLFVQOWOHXATTC-KDOFPFPSSA-N 2 1 360.527 1.876 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)s3)[C@@H]2C)CC1 ZINC001089059292 866384688 /nfs/dbraw/zinc/38/46/88/866384688.db2.gz HLFVQOWOHXATTC-KDOFPFPSSA-N 2 1 360.527 1.876 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000271751818 869105295 /nfs/dbraw/zinc/10/52/95/869105295.db2.gz FWBKVGHPMTZAMQ-LJQANCHMSA-N 2 1 370.497 1.610 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137575 883111397 /nfs/dbraw/zinc/11/13/97/883111397.db2.gz RUEOBQRYLONAGP-MLYOOKFZSA-N 2 1 364.534 1.416 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840154 880442537 /nfs/dbraw/zinc/44/25/37/880442537.db2.gz AROTZLSLXUFTLV-QZTJIDSGSA-N 2 1 366.550 1.437 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830788 883757304 /nfs/dbraw/zinc/75/73/04/883757304.db2.gz YDLYDJPBMRQFEY-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830788 883757320 /nfs/dbraw/zinc/75/73/20/883757320.db2.gz YDLYDJPBMRQFEY-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830788 883757335 /nfs/dbraw/zinc/75/73/35/883757335.db2.gz YDLYDJPBMRQFEY-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830788 883757345 /nfs/dbraw/zinc/75/73/45/883757345.db2.gz YDLYDJPBMRQFEY-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C#CCN(C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC[NH+](C)CC1 ZINC000923322931 888906361 /nfs/dbraw/zinc/90/63/61/888906361.db2.gz RVJVLGFJGSOEKW-RTBURBONSA-N 2 1 374.529 1.369 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[NH+](Cc3ccccc3)C2)C1 ZINC000923555461 889771892 /nfs/dbraw/zinc/77/18/92/889771892.db2.gz QUHCVZOFVSVQQZ-IFMALSPDSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[NH+](Cc3ccccc3)C2)C1 ZINC000923555461 889771902 /nfs/dbraw/zinc/77/19/02/889771902.db2.gz QUHCVZOFVSVQQZ-IFMALSPDSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000923555461 889771916 /nfs/dbraw/zinc/77/19/16/889771916.db2.gz QUHCVZOFVSVQQZ-IFMALSPDSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)C[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000923555461 889771927 /nfs/dbraw/zinc/77/19/27/889771927.db2.gz QUHCVZOFVSVQQZ-IFMALSPDSA-N 2 1 369.509 1.617 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795200 896815253 /nfs/dbraw/zinc/81/52/53/896815253.db2.gz MMZNBKAGMOTAGL-WCIQWLHISA-N 2 1 357.498 1.459 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795200 896815262 /nfs/dbraw/zinc/81/52/62/896815262.db2.gz MMZNBKAGMOTAGL-WCIQWLHISA-N 2 1 357.498 1.459 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795200 896815267 /nfs/dbraw/zinc/81/52/67/896815267.db2.gz MMZNBKAGMOTAGL-WCIQWLHISA-N 2 1 357.498 1.459 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001084355779 914172185 /nfs/dbraw/zinc/17/21/85/914172185.db2.gz HNXFEQSSJHHKFU-CWJKEVGVSA-N 2 1 351.494 1.911 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC#Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001084355779 914172193 /nfs/dbraw/zinc/17/21/93/914172193.db2.gz HNXFEQSSJHHKFU-CWJKEVGVSA-N 2 1 351.494 1.911 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001084355779 914172203 /nfs/dbraw/zinc/17/22/03/914172203.db2.gz HNXFEQSSJHHKFU-CWJKEVGVSA-N 2 1 351.494 1.911 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001084355779 914172208 /nfs/dbraw/zinc/17/22/08/914172208.db2.gz HNXFEQSSJHHKFU-CWJKEVGVSA-N 2 1 351.494 1.911 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107042410 900056584 /nfs/dbraw/zinc/05/65/84/900056584.db2.gz LQVDZRBYCMBKGO-QZTJIDSGSA-N 2 1 364.534 1.211 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146240 901964012 /nfs/dbraw/zinc/96/40/12/901964012.db2.gz ACBJRDKLEQNBOH-WOJBJXKFSA-N 2 1 369.509 1.732 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1F ZINC001079299168 902341623 /nfs/dbraw/zinc/34/16/23/902341623.db2.gz AMJHJAMNVCOOSZ-IWKCEXAMSA-N 2 1 361.461 1.615 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1F ZINC001079299168 902341634 /nfs/dbraw/zinc/34/16/34/902341634.db2.gz AMJHJAMNVCOOSZ-IWKCEXAMSA-N 2 1 361.461 1.615 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710865 903123576 /nfs/dbraw/zinc/12/35/76/903123576.db2.gz ZWVNQYMXCIVMNZ-LXGCGDOSSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710865 903123585 /nfs/dbraw/zinc/12/35/85/903123585.db2.gz ZWVNQYMXCIVMNZ-LXGCGDOSSA-N 2 1 370.472 1.976 20 30 FDEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579630 905787055 /nfs/dbraw/zinc/78/70/55/905787055.db2.gz LQQGCEVUWXQGRC-UYAOXDASSA-N 2 1 365.518 1.272 20 30 FDEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579630 905787066 /nfs/dbraw/zinc/78/70/66/905787066.db2.gz LQQGCEVUWXQGRC-UYAOXDASSA-N 2 1 365.518 1.272 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159950 906089526 /nfs/dbraw/zinc/08/95/26/906089526.db2.gz USKUNQAHWDBGML-IYWMVGAKSA-N 2 1 357.498 1.723 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159950 906089535 /nfs/dbraw/zinc/08/95/35/906089535.db2.gz USKUNQAHWDBGML-IYWMVGAKSA-N 2 1 357.498 1.723 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082159950 906089546 /nfs/dbraw/zinc/08/95/46/906089546.db2.gz USKUNQAHWDBGML-IYWMVGAKSA-N 2 1 357.498 1.723 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781318 906252843 /nfs/dbraw/zinc/25/28/43/906252843.db2.gz WIMCWTVTLLSHEN-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781318 906252854 /nfs/dbraw/zinc/25/28/54/906252854.db2.gz WIMCWTVTLLSHEN-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080781318 906252873 /nfs/dbraw/zinc/25/28/73/906252873.db2.gz WIMCWTVTLLSHEN-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080781318 906252892 /nfs/dbraw/zinc/25/28/92/906252892.db2.gz WIMCWTVTLLSHEN-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnc(C)cn3)C[C@H]2C)CC1 ZINC001080998158 906975344 /nfs/dbraw/zinc/97/53/44/906975344.db2.gz VHBKWZQXCCKTEE-WRWLIDTKSA-N 2 1 369.513 1.628 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnc(C)cn3)C[C@H]2C)CC1 ZINC001080998158 906975350 /nfs/dbraw/zinc/97/53/50/906975350.db2.gz VHBKWZQXCCKTEE-WRWLIDTKSA-N 2 1 369.513 1.628 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cncc(C)c3)C[C@H]2OC)CC1 ZINC001082384362 907387072 /nfs/dbraw/zinc/38/70/72/907387072.db2.gz RHMLBSKPANTUCG-WOJBJXKFSA-N 2 1 370.497 1.051 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cncc(C)c3)C[C@H]2OC)CC1 ZINC001082384362 907387092 /nfs/dbraw/zinc/38/70/92/907387092.db2.gz RHMLBSKPANTUCG-WOJBJXKFSA-N 2 1 370.497 1.051 20 30 FDEDMP C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082608864 908988199 /nfs/dbraw/zinc/98/81/99/908988199.db2.gz CTJYZGBCBLJUKN-AUUYWEPGSA-N 2 1 367.453 1.858 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3F)C2)C1 ZINC001082742466 909945095 /nfs/dbraw/zinc/94/50/95/909945095.db2.gz GWWNUMPAOSJDLH-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406551 911423897 /nfs/dbraw/zinc/42/38/97/911423897.db2.gz XVCFQIDSVOLING-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406551 911423905 /nfs/dbraw/zinc/42/39/05/911423905.db2.gz XVCFQIDSVOLING-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001212406551 911423913 /nfs/dbraw/zinc/42/39/13/911423913.db2.gz XVCFQIDSVOLING-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082432 911947450 /nfs/dbraw/zinc/94/74/50/911947450.db2.gz XLZPBJBUKBZEAI-YZGWKJHDSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082432 911947455 /nfs/dbraw/zinc/94/74/55/911947455.db2.gz XLZPBJBUKBZEAI-YZGWKJHDSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082432 911947460 /nfs/dbraw/zinc/94/74/60/911947460.db2.gz XLZPBJBUKBZEAI-YZGWKJHDSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4conc4C)C[C@H]32)CC1 ZINC001084850893 917657271 /nfs/dbraw/zinc/65/72/71/917657271.db2.gz BKHYCBLLYVOTHV-IEBWSBKVSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4conc4C)C[C@H]32)CC1 ZINC001084850893 917657279 /nfs/dbraw/zinc/65/72/79/917657279.db2.gz BKHYCBLLYVOTHV-IEBWSBKVSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](C[C@H]4CCCCO4)C[C@H]32)CC1 ZINC001084851163 917659155 /nfs/dbraw/zinc/65/91/55/917659155.db2.gz PLKKFLGWWRHGEK-VAMGGRTRSA-N 2 1 359.514 1.433 20 30 FDEDMP C[NH+](C)CC1CC[NH+](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000738077398 925089580 /nfs/dbraw/zinc/08/95/80/925089580.db2.gz ULSMZDZVGFVFCB-HXUWFJFHSA-N 2 1 369.469 1.556 20 30 FDEDMP C[NH+](C)CC1CC[NH+](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 ZINC000738077393 925090103 /nfs/dbraw/zinc/09/01/03/925090103.db2.gz ULSMZDZVGFVFCB-FQEVSTJZSA-N 2 1 369.469 1.556 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326205 925902646 /nfs/dbraw/zinc/90/26/46/925902646.db2.gz CNWWWPPPVMTJRS-SQNIBIBYSA-N 2 1 362.522 1.562 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129326205 925902652 /nfs/dbraw/zinc/90/26/52/925902652.db2.gz CNWWWPPPVMTJRS-SQNIBIBYSA-N 2 1 362.522 1.562 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337594 928768874 /nfs/dbraw/zinc/76/88/74/928768874.db2.gz PAMMXQPJPOHSKN-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCOCC1)C2 ZINC001112546170 931434602 /nfs/dbraw/zinc/43/46/02/931434602.db2.gz XDLKIMRLNODWCQ-FPOVZHCZSA-N 2 1 361.530 1.731 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433544 938423117 /nfs/dbraw/zinc/42/31/17/938423117.db2.gz GCDKPNNZYJBKQD-OIISXLGYSA-N 2 1 357.462 1.179 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433544 938423120 /nfs/dbraw/zinc/42/31/20/938423120.db2.gz GCDKPNNZYJBKQD-OIISXLGYSA-N 2 1 357.462 1.179 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433591 938423545 /nfs/dbraw/zinc/42/35/45/938423545.db2.gz HUXWPUDVKDHHLG-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433591 938423547 /nfs/dbraw/zinc/42/35/47/938423547.db2.gz HUXWPUDVKDHHLG-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129459909 938435259 /nfs/dbraw/zinc/43/52/59/938435259.db2.gz BHXKZENWYKQJIH-FGTMMUONSA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012308 938614902 /nfs/dbraw/zinc/61/49/02/938614902.db2.gz ZSQBMFHYDWNLIL-SJORKVTESA-N 2 1 362.522 1.564 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096664 938681095 /nfs/dbraw/zinc/68/10/95/938681095.db2.gz OWJNOPPMEAOFAQ-KSZLIROESA-N 2 1 362.522 1.706 20 30 FDEDMP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001130305046 938803409 /nfs/dbraw/zinc/80/34/09/938803409.db2.gz JBURYPMIYBMXDY-XLIONFOSSA-N 2 1 364.534 1.380 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610266 939907647 /nfs/dbraw/zinc/90/76/47/939907647.db2.gz FJLKJRSZDRFGTC-ZIFCJYIRSA-N 2 1 357.502 1.202 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687841 939977829 /nfs/dbraw/zinc/97/78/29/939977829.db2.gz SUIMVBSYODRURO-SXLOBPIMSA-N 2 1 371.529 1.590 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cncn1C ZINC001131007641 940433727 /nfs/dbraw/zinc/43/37/27/940433727.db2.gz DMPFJZZEFHBOFI-BRWVUGGUSA-N 2 1 366.469 1.102 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070306 940484434 /nfs/dbraw/zinc/48/44/34/940484434.db2.gz ONGJEJZFRYHMFC-RCCFBDPRSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313033 940552687 /nfs/dbraw/zinc/55/26/87/940552687.db2.gz FNMFZYYJQQKOML-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313407 940553003 /nfs/dbraw/zinc/55/30/03/940553003.db2.gz QPRAUPPGKHGPRE-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001131502317 940652691 /nfs/dbraw/zinc/65/26/91/940652691.db2.gz AEHZLEFHECZQBZ-AQNXPRMDSA-N 2 1 361.530 1.868 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001131502617 940653162 /nfs/dbraw/zinc/65/31/62/940653162.db2.gz GZLJGQOZZWUMOC-AABGKKOBSA-N 2 1 361.530 1.868 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000815652674 941933497 /nfs/dbraw/zinc/93/34/97/941933497.db2.gz MVFUJEOEXSGVEW-BRWVUGGUSA-N 2 1 353.507 1.849 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000815652674 941933499 /nfs/dbraw/zinc/93/34/99/941933499.db2.gz MVFUJEOEXSGVEW-BRWVUGGUSA-N 2 1 353.507 1.849 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000819062650 943425645 /nfs/dbraw/zinc/42/56/45/943425645.db2.gz RROFCZMRILKODR-UYAOXDASSA-N 2 1 359.470 1.531 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640702 971105089 /nfs/dbraw/zinc/10/50/89/971105089.db2.gz LEPPFAINCAONOI-QXAKKESOSA-N 2 1 362.518 1.886 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640702 971105095 /nfs/dbraw/zinc/10/50/95/971105095.db2.gz LEPPFAINCAONOI-QXAKKESOSA-N 2 1 362.518 1.886 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1 ZINC001086874491 952924855 /nfs/dbraw/zinc/92/48/55/952924855.db2.gz GBDDMOOJYZBIEM-GBESFXJTSA-N 2 1 370.497 1.915 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086978051 952989437 /nfs/dbraw/zinc/98/94/37/952989437.db2.gz BASHEYBONILUFC-OTWHNJEPSA-N 2 1 359.518 1.753 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086997348 953040007 /nfs/dbraw/zinc/04/00/07/953040007.db2.gz ZYOVNEOXRPEDBC-XHSDSOJGSA-N 2 1 353.898 1.397 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cnn(C)c1 ZINC001087010709 953102416 /nfs/dbraw/zinc/10/24/16/953102416.db2.gz NJPZMHWBIVPFDQ-OTWHNJEPSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940972 971999999 /nfs/dbraw/zinc/99/99/99/971999999.db2.gz YJAPVZOKCLROBS-RTBURBONSA-N 2 1 367.534 1.397 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940972 972000002 /nfs/dbraw/zinc/00/00/02/972000002.db2.gz YJAPVZOKCLROBS-RTBURBONSA-N 2 1 367.534 1.397 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273996 954660788 /nfs/dbraw/zinc/66/07/88/954660788.db2.gz YNVRBJSFEGKNAA-ZVDOUQERSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273996 954660798 /nfs/dbraw/zinc/66/07/98/954660798.db2.gz YNVRBJSFEGKNAA-ZVDOUQERSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001092273996 954660809 /nfs/dbraw/zinc/66/08/09/954660809.db2.gz YNVRBJSFEGKNAA-ZVDOUQERSA-N 2 1 352.482 1.790 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132805 957616648 /nfs/dbraw/zinc/61/66/48/957616648.db2.gz ABOFMWHRBYSGCX-VQIMIIECSA-N 2 1 352.482 1.838 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2C)CC1 ZINC001093223831 957853176 /nfs/dbraw/zinc/85/31/76/957853176.db2.gz IAGRZPXWCUDPQH-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001093832985 958927430 /nfs/dbraw/zinc/92/74/30/958927430.db2.gz LUQNVIGDKYSFKG-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001093832985 958927434 /nfs/dbraw/zinc/92/74/34/958927434.db2.gz LUQNVIGDKYSFKG-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000775791433 972492125 /nfs/dbraw/zinc/49/21/25/972492125.db2.gz MJWQKNDVCBLODY-UXHICEINSA-N 2 1 355.482 1.669 20 30 FDEDMP N#Cc1ccc(C(=O)N2CCC([NH2+][C@@]3(C[NH3+])CN4CCC3CC4)CC2)cc1 ZINC001173424569 962128001 /nfs/dbraw/zinc/12/80/01/962128001.db2.gz ITXFQUUJBMSDHI-NRFANRHFSA-N 2 1 367.497 1.176 20 30 FDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC12CCOCC2 ZINC001186402274 964473951 /nfs/dbraw/zinc/47/39/51/964473951.db2.gz KCBPYOWDMIORRW-GVDBMIGSSA-N 2 1 358.486 1.934 20 30 FDEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC12CCOCC2 ZINC001186402108 964474482 /nfs/dbraw/zinc/47/44/82/964474482.db2.gz FWOZWJFHPSPJPH-GVDBMIGSSA-N 2 1 356.470 1.381 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188947981 966663418 /nfs/dbraw/zinc/66/34/18/966663418.db2.gz APWNTYRRAXMESE-JENIJYKNSA-N 2 1 358.486 1.489 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@@H]2C1 ZINC001188947981 966663423 /nfs/dbraw/zinc/66/34/23/966663423.db2.gz APWNTYRRAXMESE-JENIJYKNSA-N 2 1 358.486 1.489 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCC(C)C)C[C@H]32)CC1 ZINC001190318717 967732164 /nfs/dbraw/zinc/73/21/64/967732164.db2.gz SWODODSXPLIVOS-VQTJNVASSA-N 2 1 361.530 1.537 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000884071857 982819542 /nfs/dbraw/zinc/81/95/42/982819542.db2.gz JAMONYWATOCLBW-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000884071857 982819558 /nfs/dbraw/zinc/81/95/58/982819558.db2.gz JAMONYWATOCLBW-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP CCC(CC)[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[NH+]1CCOCC1 ZINC000884184799 982960141 /nfs/dbraw/zinc/96/01/41/982960141.db2.gz ZYNAFZQRGNNFBG-NRGCRIOASA-N 2 1 362.518 1.379 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000871050808 986617122 /nfs/dbraw/zinc/61/71/22/986617122.db2.gz KDCNOUHXAMBWDZ-MHORFTMASA-N 2 1 372.517 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000871050808 986617133 /nfs/dbraw/zinc/61/71/33/986617133.db2.gz KDCNOUHXAMBWDZ-MHORFTMASA-N 2 1 372.517 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000871050808 986617142 /nfs/dbraw/zinc/61/71/42/986617142.db2.gz KDCNOUHXAMBWDZ-MHORFTMASA-N 2 1 372.517 1.530 20 30 FDEDMP N#Cc1ccc(NCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000872198006 987509440 /nfs/dbraw/zinc/50/94/40/987509440.db2.gz KYFSCOYATUTLDO-HXUWFJFHSA-N 2 1 351.454 1.592 20 30 FDEDMP N#Cc1ccc(NCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000872198006 987509446 /nfs/dbraw/zinc/50/94/46/987509446.db2.gz KYFSCOYATUTLDO-HXUWFJFHSA-N 2 1 351.454 1.592 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCCN([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193242 988940098 /nfs/dbraw/zinc/94/00/98/988940098.db2.gz FURQGWUQHGJCJT-OTWHNJEPSA-N 2 1 374.529 1.347 20 30 FDEDMP C=CCN1CC[C@@H](N(C)[C@H]2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193242 988940100 /nfs/dbraw/zinc/94/01/00/988940100.db2.gz FURQGWUQHGJCJT-OTWHNJEPSA-N 2 1 374.529 1.347 20 30 FDEDMP C=CCN1CC[C@@H](N(C)[C@H]2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193242 988940107 /nfs/dbraw/zinc/94/01/07/988940107.db2.gz FURQGWUQHGJCJT-OTWHNJEPSA-N 2 1 374.529 1.347 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363393601 989157848 /nfs/dbraw/zinc/15/78/48/989157848.db2.gz SXXRIWZPMHMTKX-JENIJYKNSA-N 2 1 364.534 1.920 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875182353 991022126 /nfs/dbraw/zinc/02/21/26/991022126.db2.gz LSQJNGHRLRBDGT-UHFFFAOYSA-N 2 1 350.507 1.086 20 30 FDEDMP CC[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000878322071 993906153 /nfs/dbraw/zinc/90/61/53/993906153.db2.gz WFZNGDYGJBNVFQ-WOZUAGRISA-N 2 1 357.498 1.964 20 30 FDEDMP CC[C@@H]1C[N@H+](Cc2cc(C#N)cc(C[NH+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000878322071 993906156 /nfs/dbraw/zinc/90/61/56/993906156.db2.gz WFZNGDYGJBNVFQ-WOZUAGRISA-N 2 1 357.498 1.964 20 30 FDEDMP CC[C@@H]1C[N@@H+](Cc2cc(C#N)cc(C[NH+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000878322071 993906159 /nfs/dbraw/zinc/90/61/59/993906159.db2.gz WFZNGDYGJBNVFQ-WOZUAGRISA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000878485450 993979438 /nfs/dbraw/zinc/97/94/38/993979438.db2.gz OHFUZBGNCWDVNF-IFCLKOLQSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000878485450 993979443 /nfs/dbraw/zinc/97/94/43/993979443.db2.gz OHFUZBGNCWDVNF-IFCLKOLQSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](C)[C@H]3CO)c2)[C@H]1CO ZINC000878485450 993979449 /nfs/dbraw/zinc/97/94/49/993979449.db2.gz OHFUZBGNCWDVNF-IFCLKOLQSA-N 2 1 357.498 1.964 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(C)C ZINC000654379657 1015953223 /nfs/dbraw/zinc/95/32/23/1015953223.db2.gz HLPMJYWUNHAEBN-KSZLIROESA-N 2 1 350.507 1.145 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CCN1c1cc[nH+]cc1 ZINC000880259429 995762466 /nfs/dbraw/zinc/76/24/66/995762466.db2.gz SNQWKRHDXIUHOF-VQIMIIECSA-N 2 1 352.438 1.904 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000926491971 996175795 /nfs/dbraw/zinc/17/57/95/996175795.db2.gz ZDDRXQKPFGIQPJ-KNCDZKKRSA-N 2 1 365.518 1.849 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000926491971 996175799 /nfs/dbraw/zinc/17/57/99/996175799.db2.gz ZDDRXQKPFGIQPJ-KNCDZKKRSA-N 2 1 365.518 1.849 20 30 FDEDMP CN(C)C(=[NH+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)N(C)C ZINC000264114844 997405754 /nfs/dbraw/zinc/40/57/54/997405754.db2.gz SBZBUCCJMMVHQW-UHFFFAOYSA-N 2 1 361.490 1.327 20 30 FDEDMP COCCCOc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000269668355 999471221 /nfs/dbraw/zinc/47/12/21/999471221.db2.gz AHAFUBCUILRWRJ-UHFFFAOYSA-N 2 1 364.490 1.229 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(COC)OCCc2ccccc21 ZINC000290691927 1000153530 /nfs/dbraw/zinc/15/35/30/1000153530.db2.gz RETHJARLCRZXTB-FXAWDEMLSA-N 2 1 360.502 1.490 20 30 FDEDMP C#Cc1ccc(NC(=O)CCN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000930071074 1002785184 /nfs/dbraw/zinc/78/51/84/1002785184.db2.gz BCUKSKLCZHYSBG-IBGZPJMESA-N 2 1 368.481 1.411 20 30 FDEDMP C#Cc1ccc(NC(=O)CCN2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000930071074 1002785193 /nfs/dbraw/zinc/78/51/93/1002785193.db2.gz BCUKSKLCZHYSBG-IBGZPJMESA-N 2 1 368.481 1.411 20 30 FDEDMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000305044473 1008605864 /nfs/dbraw/zinc/60/58/64/1008605864.db2.gz XCXFFGUHLITEQJ-INIZCTEOSA-N 2 1 367.538 1.832 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111308803 1008900693 /nfs/dbraw/zinc/90/06/93/1008900693.db2.gz XYNURSPELABSAP-HZMVEIRTSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111308803 1008900704 /nfs/dbraw/zinc/90/07/04/1008900704.db2.gz XYNURSPELABSAP-HZMVEIRTSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111308803 1008900706 /nfs/dbraw/zinc/90/07/06/1008900706.db2.gz XYNURSPELABSAP-HZMVEIRTSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111308803 1008900709 /nfs/dbraw/zinc/90/07/09/1008900709.db2.gz XYNURSPELABSAP-HZMVEIRTSA-N 2 1 350.507 1.131 20 30 FDEDMP COc1cccc(NC(=[NH2+])NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000303894425 1009679158 /nfs/dbraw/zinc/67/91/58/1009679158.db2.gz OUJAUXWIMLHUMI-GOSISDBHSA-N 2 1 354.454 1.841 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181686536 174240797 /nfs/dbraw/zinc/24/07/97/174240797.db2.gz IBZTWBLPFRMSMA-UHFFFAOYSA-N 2 1 369.513 1.276 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000331379046 259190960 /nfs/dbraw/zinc/19/09/60/259190960.db2.gz FRDXQRRDIPJRNH-YLJYHZDGSA-N 2 1 369.513 1.845 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000368455501 260185570 /nfs/dbraw/zinc/18/55/70/260185570.db2.gz QLOZSMZCCZLPFX-IBGZPJMESA-N 2 1 358.486 1.558 20 30 FDEDMP CC(C)[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000368455501 260185572 /nfs/dbraw/zinc/18/55/72/260185572.db2.gz QLOZSMZCCZLPFX-IBGZPJMESA-N 2 1 358.486 1.558 20 30 FDEDMP COCCOc1cc(C)ccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000151292110 524551209 /nfs/dbraw/zinc/55/12/09/524551209.db2.gz XKNRIXPTHLXLNZ-UHFFFAOYSA-N 2 1 364.490 1.147 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000155662223 525938053 /nfs/dbraw/zinc/93/80/53/525938053.db2.gz CAPJZHGQAXGENM-LJQANCHMSA-N 2 1 355.486 1.599 20 30 FDEDMP C[NH+]=C(NCc1c(C)noc1C)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000156262867 526095356 /nfs/dbraw/zinc/09/53/56/526095356.db2.gz GLWZMXVLZDRRIU-UHFFFAOYSA-N 2 1 371.489 1.303 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1OC(F)F ZINC000276413943 537491355 /nfs/dbraw/zinc/49/13/55/537491355.db2.gz QCCYYUHWIOERNG-UHFFFAOYSA-N 2 1 356.417 1.457 20 30 FDEDMP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330415576 537655714 /nfs/dbraw/zinc/65/57/14/537655714.db2.gz CYGNPWSFZROWNX-HOTGVXAUSA-N 2 1 368.522 1.494 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000472284565 538618348 /nfs/dbraw/zinc/61/83/48/538618348.db2.gz LTFNPLMDYJBUHA-LMMKCTJWSA-N 2 1 352.523 1.862 20 30 FDEDMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000472284565 538618357 /nfs/dbraw/zinc/61/83/57/538618357.db2.gz LTFNPLMDYJBUHA-LMMKCTJWSA-N 2 1 352.523 1.862 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2)C[C@H](C)O1 ZINC000565954292 547545605 /nfs/dbraw/zinc/54/56/05/547545605.db2.gz LLDKBOZJAXOIND-YRNRMSPPSA-N 2 1 358.486 1.869 20 30 FDEDMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439176 552310276 /nfs/dbraw/zinc/31/02/76/552310276.db2.gz SYGWXBBDHGYTLC-SJORKVTESA-N 2 1 358.490 1.120 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCc3ccc(C#N)cc3)CC2)CC1 ZINC000595374958 552540734 /nfs/dbraw/zinc/54/07/34/552540734.db2.gz IMQQIBSBLLKRCD-UHFFFAOYSA-N 2 1 354.498 1.977 20 30 FDEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595948517 552637189 /nfs/dbraw/zinc/63/71/89/552637189.db2.gz MCSYLUYYVLIMKK-OALUTQOASA-N 2 1 357.502 1.330 20 30 FDEDMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595948517 552637190 /nfs/dbraw/zinc/63/71/90/552637190.db2.gz MCSYLUYYVLIMKK-OALUTQOASA-N 2 1 357.502 1.330 20 30 FDEDMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000596424265 552677752 /nfs/dbraw/zinc/67/77/52/552677752.db2.gz FCVRRMONNFODGD-UHFFFAOYSA-N 2 1 356.430 2.310 20 30 FDEDMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000596424265 552677754 /nfs/dbraw/zinc/67/77/54/552677754.db2.gz FCVRRMONNFODGD-UHFFFAOYSA-N 2 1 356.430 2.310 20 30 FDEDMP N#CCCN1CCN(C(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602602941 553611068 /nfs/dbraw/zinc/61/10/68/553611068.db2.gz FFWUHHNIACWRGA-UHFFFAOYSA-N 2 1 369.513 1.428 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CCC[N@@H+](CC(C)C)C1)N1CCN(C(C)=O)CC1 ZINC000134207764 671826736 /nfs/dbraw/zinc/82/67/36/671826736.db2.gz ANMSAWRWNITWCO-GOSISDBHSA-N 2 1 351.539 1.484 20 30 FDEDMP CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262430324 672788286 /nfs/dbraw/zinc/78/82/86/672788286.db2.gz SKJJWKPIAQKYSX-IRXDYDNUSA-N 2 1 370.563 1.335 20 30 FDEDMP COc1ccccc1O[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267411725 673300952 /nfs/dbraw/zinc/30/09/52/673300952.db2.gz IIJOZXYTYNDYSK-OAHLLOKOSA-N 2 1 350.463 1.089 20 30 FDEDMP CC(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303889804 676543817 /nfs/dbraw/zinc/54/38/17/676543817.db2.gz MDGCJKSUFMVGIV-GOSISDBHSA-N 3 1 353.555 1.370 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1COC2(CCCCCC2)O1 ZINC000305842454 676545551 /nfs/dbraw/zinc/54/55/51/676545551.db2.gz RQEZVKDXBCRSOG-INIZCTEOSA-N 2 1 354.495 1.079 20 30 FDEDMP CC[NH+](CC)CC(=O)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410344067 678889955 /nfs/dbraw/zinc/88/99/55/678889955.db2.gz JSQBXQXIZLCJEF-UHFFFAOYSA-N 2 1 350.507 1.573 20 30 FDEDMP C=CCOc1c(Br)cc(C[N@H+](C)C[C@H](O)C[NH3+])cc1OC ZINC000415048520 679378629 /nfs/dbraw/zinc/37/86/29/679378629.db2.gz CGAMQXZLBMFCMS-GFCCVEGCSA-N 2 1 359.264 1.774 20 30 FDEDMP C=CCOc1c(Br)cc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1OC ZINC000415048520 679378631 /nfs/dbraw/zinc/37/86/31/679378631.db2.gz CGAMQXZLBMFCMS-GFCCVEGCSA-N 2 1 359.264 1.774 20 30 FDEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347429 680434243 /nfs/dbraw/zinc/43/42/43/680434243.db2.gz GQFIWUAAMBIMTG-IRXDYDNUSA-N 2 1 362.543 1.631 20 30 FDEDMP CC(C)[N@H+](C)Cc1nn(-c2nc(C#N)c(C#N)nc2Cl)c2c1CC[NH2+]C2 ZINC001164682283 719624121 /nfs/dbraw/zinc/62/41/21/719624121.db2.gz MFPPNZYLEZFMEP-UHFFFAOYSA-N 2 1 370.848 1.545 20 30 FDEDMP CC(C)[N@@H+](C)Cc1nn(-c2nc(C#N)c(C#N)nc2Cl)c2c1CC[NH2+]C2 ZINC001164682283 719624132 /nfs/dbraw/zinc/62/41/32/719624132.db2.gz MFPPNZYLEZFMEP-UHFFFAOYSA-N 2 1 370.848 1.545 20 30 FDEDMP C=CCCN1C[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cn3)[C@H]2C1 ZINC001083246071 783036325 /nfs/dbraw/zinc/03/63/25/783036325.db2.gz XVPRVGZMRRASBN-ZWKOTPCHSA-N 2 1 353.426 1.369 20 30 FDEDMP C=CCNC(=O)NC(=O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377770799 792760456 /nfs/dbraw/zinc/76/04/56/792760456.db2.gz QHVOXOXMHAUCNJ-QZTJIDSGSA-N 2 1 356.470 1.452 20 30 FDEDMP C=CCCn1cc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nn1 ZINC000662338470 806477415 /nfs/dbraw/zinc/47/74/15/806477415.db2.gz RWKPHFXBLQBZIV-MRXNPFEDSA-N 2 1 370.505 1.367 20 30 FDEDMP C=CCCn1cc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nn1 ZINC000662338470 806477418 /nfs/dbraw/zinc/47/74/18/806477418.db2.gz RWKPHFXBLQBZIV-MRXNPFEDSA-N 2 1 370.505 1.367 20 30 FDEDMP C=CCCn1cc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nn1 ZINC000662338469 806477441 /nfs/dbraw/zinc/47/74/41/806477441.db2.gz RWKPHFXBLQBZIV-INIZCTEOSA-N 2 1 370.505 1.367 20 30 FDEDMP C=CCCn1cc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nn1 ZINC000662338469 806477444 /nfs/dbraw/zinc/47/74/44/806477444.db2.gz RWKPHFXBLQBZIV-INIZCTEOSA-N 2 1 370.505 1.367 20 30 FDEDMP C=CC[C@]1(C(=O)N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662721540 802908410 /nfs/dbraw/zinc/90/84/10/802908410.db2.gz YIHWFBDTMCALBG-JOCHJYFZSA-N 2 1 370.541 1.961 20 30 FDEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001087430942 807140516 /nfs/dbraw/zinc/14/05/16/807140516.db2.gz RBGDRTPQEOBNCW-CWJKEVGVSA-N 2 1 369.509 1.703 20 30 FDEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001087430942 807140520 /nfs/dbraw/zinc/14/05/20/807140520.db2.gz RBGDRTPQEOBNCW-CWJKEVGVSA-N 2 1 369.509 1.703 20 30 FDEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001087430942 807140524 /nfs/dbraw/zinc/14/05/24/807140524.db2.gz RBGDRTPQEOBNCW-CWJKEVGVSA-N 2 1 369.509 1.703 20 30 FDEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001087430942 807140531 /nfs/dbraw/zinc/14/05/31/807140531.db2.gz RBGDRTPQEOBNCW-CWJKEVGVSA-N 2 1 369.509 1.703 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028547545 810613630 /nfs/dbraw/zinc/61/36/30/810613630.db2.gz XXYINLBAATYOLM-NXHRZFHOSA-N 2 1 369.937 1.924 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028547545 810613636 /nfs/dbraw/zinc/61/36/36/810613636.db2.gz XXYINLBAATYOLM-NXHRZFHOSA-N 2 1 369.937 1.924 20 30 FDEDMP C[NH+]=C(NCCn1cnc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261706074 811301465 /nfs/dbraw/zinc/30/14/65/811301465.db2.gz JNUWIQJROOIPNM-KRWDZBQOSA-N 2 1 370.501 1.266 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262004589 811364810 /nfs/dbraw/zinc/36/48/10/811364810.db2.gz VGWRFSJVQDFTRC-RDTXWAMCSA-N 2 1 367.501 1.723 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001028628173 811641940 /nfs/dbraw/zinc/64/19/40/811641940.db2.gz OTAHQPUQFKVMIQ-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001028628173 811641950 /nfs/dbraw/zinc/64/19/50/811641950.db2.gz OTAHQPUQFKVMIQ-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001028628173 811641958 /nfs/dbraw/zinc/64/19/58/811641958.db2.gz OTAHQPUQFKVMIQ-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001028628173 811641964 /nfs/dbraw/zinc/64/19/64/811641964.db2.gz OTAHQPUQFKVMIQ-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001075798510 820435231 /nfs/dbraw/zinc/43/52/31/820435231.db2.gz CXOYJXXTASPURN-PWRODBHTSA-N 2 1 364.493 1.933 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087622642 821782889 /nfs/dbraw/zinc/78/28/89/821782889.db2.gz YUHSJQGLTRKEJM-XWPNQZOQSA-N 2 1 370.497 1.746 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087622642 821782896 /nfs/dbraw/zinc/78/28/96/821782896.db2.gz YUHSJQGLTRKEJM-XWPNQZOQSA-N 2 1 370.497 1.746 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087622642 821782902 /nfs/dbraw/zinc/78/29/02/821782902.db2.gz YUHSJQGLTRKEJM-XWPNQZOQSA-N 2 1 370.497 1.746 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087622642 821782908 /nfs/dbraw/zinc/78/29/08/821782908.db2.gz YUHSJQGLTRKEJM-XWPNQZOQSA-N 2 1 370.497 1.746 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CCC#N)c1C ZINC000896042314 823975672 /nfs/dbraw/zinc/97/56/72/823975672.db2.gz GYMSUWNXGPFTGH-KRWDZBQOSA-N 2 1 360.506 1.593 20 30 FDEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000329312348 824730822 /nfs/dbraw/zinc/73/08/22/824730822.db2.gz ANCLQJFKGASZFV-SJPCQFCGSA-N 2 1 365.522 1.010 20 30 FDEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329312348 824730825 /nfs/dbraw/zinc/73/08/25/824730825.db2.gz ANCLQJFKGASZFV-SJPCQFCGSA-N 2 1 365.522 1.010 20 30 FDEDMP CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329478388 824822768 /nfs/dbraw/zinc/82/27/68/824822768.db2.gz OQSMJTLQEGYZGI-KRWDZBQOSA-N 2 1 366.506 1.141 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047149 825590291 /nfs/dbraw/zinc/59/02/91/825590291.db2.gz IPRUKTCUSSCDCO-DXWXDBEXSA-N 2 1 359.514 1.596 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047149 825590293 /nfs/dbraw/zinc/59/02/93/825590293.db2.gz IPRUKTCUSSCDCO-DXWXDBEXSA-N 2 1 359.514 1.596 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047149 825590297 /nfs/dbraw/zinc/59/02/97/825590297.db2.gz IPRUKTCUSSCDCO-DXWXDBEXSA-N 2 1 359.514 1.596 20 30 FDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]2C1 ZINC001088107223 826421515 /nfs/dbraw/zinc/42/15/15/826421515.db2.gz NEXCDDYUMQIINH-SJORKVTESA-N 2 1 356.470 1.688 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]2C1 ZINC001088107223 826421520 /nfs/dbraw/zinc/42/15/20/826421520.db2.gz NEXCDDYUMQIINH-SJORKVTESA-N 2 1 356.470 1.688 20 30 FDEDMP C[C@@H]1CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000897429001 833164777 /nfs/dbraw/zinc/16/47/77/833164777.db2.gz XPESKFYWEHAGDE-QGZVFWFLSA-N 2 1 357.502 1.973 20 30 FDEDMP CN(C(=O)NCc1nc(C#N)cs1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000897282763 827696568 /nfs/dbraw/zinc/69/65/68/827696568.db2.gz UHVAFPUYKRVXTP-OAHLLOKOSA-N 2 1 362.503 1.325 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000264065579 838333695 /nfs/dbraw/zinc/33/36/95/838333695.db2.gz BAGVOLAZYZJPJM-IAGOWNOFSA-N 2 1 359.518 1.910 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@H]2C(C)C)C[C@H]1O ZINC001105643416 842335884 /nfs/dbraw/zinc/33/58/84/842335884.db2.gz XYKHUJZTFGUFNJ-IZBJGVDFSA-N 2 1 358.486 1.181 20 30 FDEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105655781 842479164 /nfs/dbraw/zinc/47/91/64/842479164.db2.gz KXQUCGNXRMYINP-REHHDOPLSA-N 2 1 363.546 1.564 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672771 845214368 /nfs/dbraw/zinc/21/43/68/845214368.db2.gz DGPYXOGLRRXPTP-HNBVOPMISA-N 2 1 351.535 1.869 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105676281 845886804 /nfs/dbraw/zinc/88/68/04/845886804.db2.gz VDQGICHYKAISMG-LFGUQSLTSA-N 2 1 351.535 1.869 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480979214 845995995 /nfs/dbraw/zinc/99/59/95/845995995.db2.gz LOKIPFHJJLFDFR-BBWFWOEESA-N 2 1 364.534 1.236 20 30 FDEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076242464 847664156 /nfs/dbraw/zinc/66/41/56/847664156.db2.gz GENSSUKBTYPKFN-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076242464 847664158 /nfs/dbraw/zinc/66/41/58/847664158.db2.gz GENSSUKBTYPKFN-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076242464 847664163 /nfs/dbraw/zinc/66/41/63/847664163.db2.gz GENSSUKBTYPKFN-FFZOFVMBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076457428 848179726 /nfs/dbraw/zinc/17/97/26/848179726.db2.gz CTOJLGACIPOQQN-PCCBWWKXSA-N 2 1 351.494 1.913 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076457428 848179733 /nfs/dbraw/zinc/17/97/33/848179733.db2.gz CTOJLGACIPOQQN-PCCBWWKXSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076457428 848179735 /nfs/dbraw/zinc/17/97/35/848179735.db2.gz CTOJLGACIPOQQN-PCCBWWKXSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076457428 848179741 /nfs/dbraw/zinc/17/97/41/848179741.db2.gz CTOJLGACIPOQQN-PCCBWWKXSA-N 2 1 351.494 1.913 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668843352 857696063 /nfs/dbraw/zinc/69/60/63/857696063.db2.gz PGUGLJUXJKUKPU-MRXNPFEDSA-N 2 1 350.507 1.132 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000057137772 863084994 /nfs/dbraw/zinc/08/49/94/863084994.db2.gz QXQBPFJHJZDYPF-UHFFFAOYSA-N 2 1 355.482 1.480 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](OC)C3CCC3)[C@@H]2C)CC1 ZINC001089059158 866382119 /nfs/dbraw/zinc/38/21/19/866382119.db2.gz BMAFCJIXJFGDTJ-LSTHTHJFSA-N 2 1 361.530 1.726 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249965 874131200 /nfs/dbraw/zinc/13/12/00/874131200.db2.gz VBACHIFFVQALSY-GGPKGHCWSA-N 2 1 361.530 1.727 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000762188201 875368251 /nfs/dbraw/zinc/36/82/51/875368251.db2.gz VYGXUUZPRSAVPJ-GOSISDBHSA-N 2 1 371.481 1.641 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C#Cc1ccc2c(c1)OCO2 ZINC000762188202 875368613 /nfs/dbraw/zinc/36/86/13/875368613.db2.gz VYGXUUZPRSAVPJ-SFHVURJKSA-N 2 1 371.481 1.641 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000999191261 912246218 /nfs/dbraw/zinc/24/62/18/912246218.db2.gz WRHXNXPBSSJDEF-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000999494917 912896859 /nfs/dbraw/zinc/89/68/59/912896859.db2.gz JHVPFXRKABLRRM-JKIFEVAISA-N 2 1 362.499 1.419 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000999494917 912896872 /nfs/dbraw/zinc/89/68/72/912896872.db2.gz JHVPFXRKABLRRM-JKIFEVAISA-N 2 1 362.499 1.419 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129143368 885855646 /nfs/dbraw/zinc/85/56/46/885855646.db2.gz AJYAJBBKRKQRBA-SJORKVTESA-N 2 1 360.506 1.460 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000923388179 889098104 /nfs/dbraw/zinc/09/81/04/889098104.db2.gz MIKZPCAVKAAJPN-JRBPQWBISA-N 2 1 359.470 1.516 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000923431300 889230016 /nfs/dbraw/zinc/23/00/16/889230016.db2.gz OGLFGVLWLMYKFO-HSALFYBXSA-N 2 1 370.497 1.199 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000923431300 889230031 /nfs/dbraw/zinc/23/00/31/889230031.db2.gz OGLFGVLWLMYKFO-HSALFYBXSA-N 2 1 370.497 1.199 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000923431300 889230044 /nfs/dbraw/zinc/23/00/44/889230044.db2.gz OGLFGVLWLMYKFO-HSALFYBXSA-N 2 1 370.497 1.199 20 30 FDEDMP C=C(C)C[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128106954 896958099 /nfs/dbraw/zinc/95/80/99/896958099.db2.gz JUSUWEMAMWEOJX-BHIYHBOVSA-N 2 1 371.529 1.782 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)cc(C)c3)C[C@H]2O)CC1 ZINC001078226968 898426890 /nfs/dbraw/zinc/42/68/90/898426890.db2.gz BXDXCEVRWBPFGY-NHCUHLMSSA-N 2 1 369.509 1.310 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001078405417 898747945 /nfs/dbraw/zinc/74/79/45/898747945.db2.gz MQUNDXMUKHLGBQ-LSTHTHJFSA-N 2 1 370.497 1.606 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083167034 901916543 /nfs/dbraw/zinc/91/65/43/901916543.db2.gz SOFONAWOIASFDM-HNNXBMFYSA-N 2 1 356.449 1.913 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083167034 901916545 /nfs/dbraw/zinc/91/65/45/901916545.db2.gz SOFONAWOIASFDM-HNNXBMFYSA-N 2 1 356.449 1.913 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[C@H]1c1ccc(F)cc1 ZINC001079149700 901980666 /nfs/dbraw/zinc/98/06/66/901980666.db2.gz GHFPWPBXNJJSTH-OTWHNJEPSA-N 2 1 359.445 1.064 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[C@H]1c1ccc(F)cc1 ZINC001079149700 901980670 /nfs/dbraw/zinc/98/06/70/901980670.db2.gz GHFPWPBXNJJSTH-OTWHNJEPSA-N 2 1 359.445 1.064 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270266 902328702 /nfs/dbraw/zinc/32/87/02/902328702.db2.gz JYGJYYKOJXIERQ-CEXWTWQISA-N 2 1 361.530 1.844 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243294 902342367 /nfs/dbraw/zinc/34/23/67/902342367.db2.gz XFYPYFIXVFGXQU-AKHDSKFASA-N 2 1 359.514 1.289 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710622 903122199 /nfs/dbraw/zinc/12/21/99/903122199.db2.gz PWAJZSCASZSFQO-JRGCBEDISA-N 2 1 351.494 1.816 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710622 903122207 /nfs/dbraw/zinc/12/22/07/903122207.db2.gz PWAJZSCASZSFQO-JRGCBEDISA-N 2 1 351.494 1.816 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001107643224 906217023 /nfs/dbraw/zinc/21/70/23/906217023.db2.gz AZLVTZALHVGQEM-TZIWHRDSSA-N 2 1 361.530 1.873 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C)c3)C[C@H]2OC)CC1 ZINC001082383110 907372776 /nfs/dbraw/zinc/37/27/76/907372776.db2.gz JANMIPXZNJMRSO-NHCUHLMSSA-N 2 1 369.509 1.656 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082448243 907813281 /nfs/dbraw/zinc/81/32/81/907813281.db2.gz JGOAJDZHMRHUQO-ZTFGCOKTSA-N 2 1 356.470 1.598 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001082568012 908707521 /nfs/dbraw/zinc/70/75/21/908707521.db2.gz RRTCSXXYUNYHAP-AHRSYUTCSA-N 2 1 355.482 1.729 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)cc2)C1 ZINC001082568012 908707527 /nfs/dbraw/zinc/70/75/27/908707527.db2.gz RRTCSXXYUNYHAP-AHRSYUTCSA-N 2 1 355.482 1.729 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001082568946 908715214 /nfs/dbraw/zinc/71/52/14/908715214.db2.gz ZRQCQRMHEWURNK-AHRSYUTCSA-N 2 1 357.473 1.902 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2ccccc2F)C1 ZINC001082568946 908715221 /nfs/dbraw/zinc/71/52/21/908715221.db2.gz ZRQCQRMHEWURNK-AHRSYUTCSA-N 2 1 357.473 1.902 20 30 FDEDMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082742860 909948727 /nfs/dbraw/zinc/94/87/27/909948727.db2.gz UWKOKILOCFVTIU-QMTMVMCOSA-N 2 1 358.461 1.976 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092783 920808414 /nfs/dbraw/zinc/80/84/14/920808414.db2.gz PXLKRLMGFQCFAP-HKBOAZHASA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092783 920808421 /nfs/dbraw/zinc/80/84/21/920808421.db2.gz PXLKRLMGFQCFAP-HKBOAZHASA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092783 920808435 /nfs/dbraw/zinc/80/84/35/920808435.db2.gz PXLKRLMGFQCFAP-HKBOAZHASA-N 2 1 351.494 1.913 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129322725 925287378 /nfs/dbraw/zinc/28/73/78/925287378.db2.gz WNGUGVGJYBOOAH-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129322725 925287392 /nfs/dbraw/zinc/28/73/92/925287392.db2.gz WNGUGVGJYBOOAH-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086400665 927058048 /nfs/dbraw/zinc/05/80/48/927058048.db2.gz RDQIGXPUBWLMAW-AAVRWANBSA-N 2 1 360.296 1.099 20 30 FDEDMP C=C(Br)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086400665 927058053 /nfs/dbraw/zinc/05/80/53/927058053.db2.gz RDQIGXPUBWLMAW-AAVRWANBSA-N 2 1 360.296 1.099 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109734199 930273737 /nfs/dbraw/zinc/27/37/37/930273737.db2.gz OAXXSCFIZJSCPO-OWSLCNJRSA-N 2 1 362.518 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109734199 930273747 /nfs/dbraw/zinc/27/37/47/930273747.db2.gz OAXXSCFIZJSCPO-OWSLCNJRSA-N 2 1 362.518 1.249 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001086580655 933278764 /nfs/dbraw/zinc/27/87/64/933278764.db2.gz OEOCDHRMZQXIAY-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001086580655 933278776 /nfs/dbraw/zinc/27/87/76/933278776.db2.gz OEOCDHRMZQXIAY-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001086580655 933278788 /nfs/dbraw/zinc/27/87/88/933278788.db2.gz OEOCDHRMZQXIAY-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001086580655 933278803 /nfs/dbraw/zinc/27/88/03/933278803.db2.gz OEOCDHRMZQXIAY-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086588971 933625260 /nfs/dbraw/zinc/62/52/60/933625260.db2.gz YYOJTMKLRFMQJK-AZUAARDMSA-N 2 1 365.481 1.276 20 30 FDEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086588971 933625263 /nfs/dbraw/zinc/62/52/63/933625263.db2.gz YYOJTMKLRFMQJK-AZUAARDMSA-N 2 1 365.481 1.276 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001130028534 938630771 /nfs/dbraw/zinc/63/07/71/938630771.db2.gz VLBGWDKYBQDSTR-SJORKVTESA-N 2 1 369.473 1.053 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044112 938643361 /nfs/dbraw/zinc/64/33/61/938643361.db2.gz QMJKAHHAOMJLHI-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cncn1C ZINC001131081788 940487815 /nfs/dbraw/zinc/48/78/15/940487815.db2.gz BAHKQKTUZFMUKQ-IAGOWNOFSA-N 2 1 370.501 1.900 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001086720838 941619884 /nfs/dbraw/zinc/61/98/84/941619884.db2.gz QYCDUNFIUCOZRI-FYZZASKESA-N 2 1 369.509 1.692 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001086720838 941619887 /nfs/dbraw/zinc/61/98/87/941619887.db2.gz QYCDUNFIUCOZRI-FYZZASKESA-N 2 1 369.509 1.692 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccnc2C)C1 ZINC001086721064 941640863 /nfs/dbraw/zinc/64/08/63/941640863.db2.gz DGZITHYFZVLCDW-SCTDSRPQSA-N 2 1 355.486 1.257 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nccnc2C)C1 ZINC001086721064 941640868 /nfs/dbraw/zinc/64/08/68/941640868.db2.gz DGZITHYFZVLCDW-SCTDSRPQSA-N 2 1 355.486 1.257 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CC1 ZINC000856328409 971069071 /nfs/dbraw/zinc/06/90/71/971069071.db2.gz UJEWNWMYJROTRW-OAQYLSRUSA-N 2 1 368.525 1.264 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CC1 ZINC000856328409 971069086 /nfs/dbraw/zinc/06/90/86/971069086.db2.gz UJEWNWMYJROTRW-OAQYLSRUSA-N 2 1 368.525 1.264 20 30 FDEDMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592102 971241034 /nfs/dbraw/zinc/24/10/34/971241034.db2.gz FHSOCDHFUCIXMD-LPHOPBHVSA-N 2 1 373.501 1.747 20 30 FDEDMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592102 971241040 /nfs/dbraw/zinc/24/10/40/971241040.db2.gz FHSOCDHFUCIXMD-LPHOPBHVSA-N 2 1 373.501 1.747 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592102 971241045 /nfs/dbraw/zinc/24/10/45/971241045.db2.gz FHSOCDHFUCIXMD-LPHOPBHVSA-N 2 1 373.501 1.747 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592102 971241049 /nfs/dbraw/zinc/24/10/49/971241049.db2.gz FHSOCDHFUCIXMD-LPHOPBHVSA-N 2 1 373.501 1.747 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001144417733 949063758 /nfs/dbraw/zinc/06/37/58/949063758.db2.gz HSEZTBLLCLFNHV-OAQYLSRUSA-N 2 1 357.498 1.780 20 30 FDEDMP C#CC[N@H+]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001147283868 952364311 /nfs/dbraw/zinc/36/43/11/952364311.db2.gz WAGLHAOXJHBRRU-UHFFFAOYSA-N 2 1 368.525 1.756 20 30 FDEDMP C#CC[N@@H+]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC001147283868 952364318 /nfs/dbraw/zinc/36/43/18/952364318.db2.gz WAGLHAOXJHBRRU-UHFFFAOYSA-N 2 1 368.525 1.756 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985918 953004682 /nfs/dbraw/zinc/00/46/82/953004682.db2.gz LEAGLLJMPJANPK-OTWHNJEPSA-N 2 1 359.518 1.611 20 30 FDEDMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001092203370 954530646 /nfs/dbraw/zinc/53/06/46/954530646.db2.gz LZJVAOMMEVFAOL-CTNGQTDRSA-N 2 1 364.493 1.934 20 30 FDEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1nccn12 ZINC001092373136 955046188 /nfs/dbraw/zinc/04/61/88/955046188.db2.gz PTAKNIWIAQMYMN-YESZJQIVSA-N 2 1 357.502 1.761 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521900 955313280 /nfs/dbraw/zinc/31/32/80/955313280.db2.gz GXAFDWZLWVUGCI-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092521900 955313284 /nfs/dbraw/zinc/31/32/84/955313284.db2.gz GXAFDWZLWVUGCI-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092521900 955313291 /nfs/dbraw/zinc/31/32/91/955313291.db2.gz GXAFDWZLWVUGCI-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092521900 955313298 /nfs/dbraw/zinc/31/32/98/955313298.db2.gz GXAFDWZLWVUGCI-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620578 955853235 /nfs/dbraw/zinc/85/32/35/955853235.db2.gz PMMNORYORGDHRD-NMFUWQPSSA-N 2 1 358.324 1.919 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620578 955853258 /nfs/dbraw/zinc/85/32/58/955853258.db2.gz PMMNORYORGDHRD-NMFUWQPSSA-N 2 1 358.324 1.919 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620578 955853272 /nfs/dbraw/zinc/85/32/72/955853272.db2.gz PMMNORYORGDHRD-NMFUWQPSSA-N 2 1 358.324 1.919 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC001092620578 955853291 /nfs/dbraw/zinc/85/32/91/955853291.db2.gz PMMNORYORGDHRD-NMFUWQPSSA-N 2 1 358.324 1.919 20 30 FDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001183043697 962756949 /nfs/dbraw/zinc/75/69/49/962756949.db2.gz VYKQIZMOSYOFRZ-VQTJNVASSA-N 2 1 370.497 1.535 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522264 964272248 /nfs/dbraw/zinc/27/22/48/964272248.db2.gz JXVJUMIKTNDOGX-GVDBMIGSSA-N 2 1 352.523 1.284 20 30 FDEDMP [NH3+]C1(CNC(=O)C#CC2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000852892209 967693436 /nfs/dbraw/zinc/69/34/36/967693436.db2.gz HOSCRHZAPQSLRG-UHFFFAOYSA-N 2 1 354.498 1.099 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000867959941 977142868 /nfs/dbraw/zinc/14/28/68/977142868.db2.gz FDLGEOVFHHHWBL-FQEVSTJZSA-N 2 1 368.481 1.316 20 30 FDEDMP C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852101292 979351324 /nfs/dbraw/zinc/35/13/24/979351324.db2.gz OYDPCHJGBXLZBZ-LAUBAEHRSA-N 2 1 357.498 1.915 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC[N@@H+](CCc3ccccc3)C1)C2 ZINC000884203947 982979292 /nfs/dbraw/zinc/97/92/92/982979292.db2.gz JTYWVJWLQGWHRP-VKTDYJGGSA-N 2 1 366.509 1.807 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000332497686 983064034 /nfs/dbraw/zinc/06/40/34/983064034.db2.gz ZISOMLMZXFTZKF-SJLPKXTDSA-N 2 1 362.518 1.228 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000332497686 983064040 /nfs/dbraw/zinc/06/40/40/983064040.db2.gz ZISOMLMZXFTZKF-SJLPKXTDSA-N 2 1 362.518 1.228 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)C2 ZINC000884401290 983138743 /nfs/dbraw/zinc/13/87/43/983138743.db2.gz KFLKFPIBKFLZLC-KYBDOYODSA-N 2 1 368.481 1.009 20 30 FDEDMP COC(=O)[C@]1(C)CCC[NH+](CC#CC[N@@H+]2CCC[C@@](C)(C(=O)OC)C2)C1 ZINC000412084933 992798751 /nfs/dbraw/zinc/79/87/51/992798751.db2.gz YZJZPZQNAFCFTA-WOJBJXKFSA-N 2 1 364.486 1.540 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000876741709 992859076 /nfs/dbraw/zinc/85/90/76/992859076.db2.gz XTIAMJUNZWTDKW-MRXNPFEDSA-N 2 1 364.877 1.873 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000876781568 992908258 /nfs/dbraw/zinc/90/82/58/992908258.db2.gz OWGUOBANEFTRJP-KRWDZBQOSA-N 2 1 350.894 1.520 20 30 FDEDMP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000877961112 993574521 /nfs/dbraw/zinc/57/45/21/993574521.db2.gz KGKHRWHPDYWXTJ-UHFFFAOYSA-N 2 1 355.486 1.281 20 30 FDEDMP C[NH+]1CCC(NC(=O)C[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000877961112 993574531 /nfs/dbraw/zinc/57/45/31/993574531.db2.gz KGKHRWHPDYWXTJ-UHFFFAOYSA-N 2 1 355.486 1.281 20 30 FDEDMP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000878118098 993722889 /nfs/dbraw/zinc/72/28/89/993722889.db2.gz FQVRNAWUAQYPGM-INIZCTEOSA-N 2 1 353.507 1.520 20 30 FDEDMP CN(CCC#N)C(=O)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000271558248 999711940 /nfs/dbraw/zinc/71/19/40/999711940.db2.gz NWHCYFBIMWMCTM-UHFFFAOYSA-N 2 1 371.529 1.498 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(COC)OCCc2ccccc21 ZINC000290691935 1000153488 /nfs/dbraw/zinc/15/34/88/1000153488.db2.gz RETHJARLCRZXTB-YLJYHZDGSA-N 2 1 360.502 1.490 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111275381 1002397452 /nfs/dbraw/zinc/39/74/52/1002397452.db2.gz UNOMVFWOWPPQEE-MKXGPGLRSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111275381 1002397465 /nfs/dbraw/zinc/39/74/65/1002397465.db2.gz UNOMVFWOWPPQEE-MKXGPGLRSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275381 1002397476 /nfs/dbraw/zinc/39/74/76/1002397476.db2.gz UNOMVFWOWPPQEE-MKXGPGLRSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275381 1002397484 /nfs/dbraw/zinc/39/74/84/1002397484.db2.gz UNOMVFWOWPPQEE-MKXGPGLRSA-N 2 1 374.529 1.250 20 30 FDEDMP C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483686 1004200552 /nfs/dbraw/zinc/20/05/52/1004200552.db2.gz GKSLWELPGKMPJJ-TVRKMHQQSA-N 2 1 364.534 1.694 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188876 1006749781 /nfs/dbraw/zinc/74/97/81/1006749781.db2.gz IZULMKHUECGGGL-QRVBRYPASA-N 2 1 367.453 1.805 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(-c3cc[nH+]cc3)c1)C2 ZINC001111188876 1006749791 /nfs/dbraw/zinc/74/97/91/1006749791.db2.gz IZULMKHUECGGGL-QRVBRYPASA-N 2 1 367.453 1.805 20 30 FDEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@](C)(c1ccccc1)N(C)C)C2 ZINC001111267975 1007405327 /nfs/dbraw/zinc/40/53/27/1007405327.db2.gz QEMPRCMQOXTPNB-XWSHUIEDSA-N 2 1 369.509 1.835 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)C1=O ZINC001111298842 1008574414 /nfs/dbraw/zinc/57/44/14/1008574414.db2.gz UENMTNWDVLSJJK-BDXSIMOUSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)C1=O ZINC001111298842 1008574425 /nfs/dbraw/zinc/57/44/25/1008574425.db2.gz UENMTNWDVLSJJK-BDXSIMOUSA-N 2 1 362.518 1.227 20 30 FDEDMP CC(C)(C)OC(=O)N(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000303986954 1009793353 /nfs/dbraw/zinc/79/33/53/1009793353.db2.gz VADHTVVNEMLKOJ-UHFFFAOYSA-N 2 1 369.510 1.013 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccc(C#N)cc2)O1 ZINC000960715385 1011239219 /nfs/dbraw/zinc/23/92/19/1011239219.db2.gz BSUBEILKMUCFRK-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccc(C#N)cc2)O1 ZINC000960715385 1011239232 /nfs/dbraw/zinc/23/92/32/1011239232.db2.gz BSUBEILKMUCFRK-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(C#N)cc2)O1 ZINC000960715385 1011239248 /nfs/dbraw/zinc/23/92/48/1011239248.db2.gz BSUBEILKMUCFRK-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccc(C#N)cc2)O1 ZINC000960715385 1011239259 /nfs/dbraw/zinc/23/92/59/1011239259.db2.gz BSUBEILKMUCFRK-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528388990 539754954 /nfs/dbraw/zinc/75/49/54/539754954.db2.gz KJSAFZCUMUAXSL-UXHICEINSA-N 2 1 372.513 1.398 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)o1 ZINC000287115669 183215723 /nfs/dbraw/zinc/21/57/23/183215723.db2.gz ZQHSMXMNSFXJJA-AWEZNQCLSA-N 2 1 354.476 1.188 20 30 FDEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171658801 258268151 /nfs/dbraw/zinc/26/81/51/258268151.db2.gz HGUVXWXIFUPTFR-HNNXBMFYSA-N 2 1 371.485 1.275 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC000551217897 543253487 /nfs/dbraw/zinc/25/34/87/543253487.db2.gz WTHKBVNJIANZNF-RCCFBDPRSA-N 2 1 364.534 1.400 20 30 FDEDMP CN(CC[N@@H+](C)CCC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000177376119 174126079 /nfs/dbraw/zinc/12/60/79/174126079.db2.gz OVPZUGSPACMRLS-UHFFFAOYSA-N 2 1 357.502 1.845 20 30 FDEDMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333805154 259383436 /nfs/dbraw/zinc/38/34/36/259383436.db2.gz IKMDOWOTUPTIAN-QFBILLFUSA-N 2 1 355.486 1.916 20 30 FDEDMP N#Cc1cccc(OCCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000375000636 261244898 /nfs/dbraw/zinc/24/48/98/261244898.db2.gz XPAIGILRTJOURV-UHFFFAOYSA-N 2 1 359.470 1.486 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000074134995 522689452 /nfs/dbraw/zinc/68/94/52/522689452.db2.gz DAZUQPVJNYSZES-SFHVURJKSA-N 2 1 364.538 1.032 20 30 FDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075935767 522995622 /nfs/dbraw/zinc/99/56/22/522995622.db2.gz VSDVICNJZQMZNB-CALCHBBNSA-N 2 1 350.507 1.570 20 30 FDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000075935767 522995631 /nfs/dbraw/zinc/99/56/31/522995631.db2.gz VSDVICNJZQMZNB-CALCHBBNSA-N 2 1 350.507 1.570 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958282 523097048 /nfs/dbraw/zinc/09/70/48/523097048.db2.gz GESLWBQKXHWTCE-APWZRJJASA-N 2 1 350.507 1.474 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000089266525 524484226 /nfs/dbraw/zinc/48/42/26/524484226.db2.gz QEDCLGYFBQHRDM-INIZCTEOSA-N 2 1 366.506 1.306 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000089266525 524484232 /nfs/dbraw/zinc/48/42/32/524484232.db2.gz QEDCLGYFBQHRDM-INIZCTEOSA-N 2 1 366.506 1.306 20 30 FDEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000174877134 524773138 /nfs/dbraw/zinc/77/31/38/524773138.db2.gz VIIKJQYMMVZPOL-LJQANCHMSA-N 2 1 369.513 1.989 20 30 FDEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000174877134 524773147 /nfs/dbraw/zinc/77/31/47/524773147.db2.gz VIIKJQYMMVZPOL-LJQANCHMSA-N 2 1 369.513 1.989 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000116252099 525122693 /nfs/dbraw/zinc/12/26/93/525122693.db2.gz SYCFYAYXDQHRGG-PXNSSMCTSA-N 2 1 354.498 1.753 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1ccccc1C#N ZINC000125557828 525214753 /nfs/dbraw/zinc/21/47/53/525214753.db2.gz SFCICZQHLLCPNB-GOSISDBHSA-N 2 1 358.486 1.812 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177512238 525301895 /nfs/dbraw/zinc/30/18/95/525301895.db2.gz ZGOXGTKXZKOIQQ-HZPDHXFCSA-N 2 1 366.506 1.210 20 30 FDEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177511862 525302422 /nfs/dbraw/zinc/30/24/22/525302422.db2.gz RPTJTSUWXCYLCI-KSZLIROESA-N 2 1 364.534 1.958 20 30 FDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000154558427 525572263 /nfs/dbraw/zinc/57/22/63/525572263.db2.gz SPLVZVOMQJEORM-GOSISDBHSA-N 2 1 360.527 1.886 20 30 FDEDMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106125333 525619811 /nfs/dbraw/zinc/61/98/11/525619811.db2.gz NTBBSZLRRLLQAN-OXQOHEQNSA-N 2 1 370.497 1.688 20 30 FDEDMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106125331 525622208 /nfs/dbraw/zinc/62/22/08/525622208.db2.gz NTBBSZLRRLLQAN-OXJNMPFZSA-N 2 1 370.497 1.688 20 30 FDEDMP C=CCN(CC=C)C(=O)[C@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571728 535826497 /nfs/dbraw/zinc/82/64/97/535826497.db2.gz GDFMURGIZSGBIJ-GURQWTFNSA-N 2 1 360.546 1.818 20 30 FDEDMP CCOC(=O)c1csc(CCNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)n1 ZINC000189068260 536992399 /nfs/dbraw/zinc/99/23/99/536992399.db2.gz HXORURPASZSDEZ-GFCCVEGCSA-N 2 1 353.492 1.251 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC([N@@H+](C)CCO)CC1)C(C)C ZINC000274863150 537533742 /nfs/dbraw/zinc/53/37/42/537533742.db2.gz QCJXVZJAPZZPQQ-LJQANCHMSA-N 2 1 366.550 1.783 20 30 FDEDMP Cc1cnn([C@@H]2CC[NH+](CC#CC[N@H+]3CC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000289869952 537610720 /nfs/dbraw/zinc/61/07/20/537610720.db2.gz LROBCXDQZOCOJZ-WOJBJXKFSA-N 2 1 352.486 1.894 20 30 FDEDMP Cc1cnn([C@@H]2CC[NH+](CC#CC[N@@H+]3CC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000289869952 537610728 /nfs/dbraw/zinc/61/07/28/537610728.db2.gz LROBCXDQZOCOJZ-WOJBJXKFSA-N 2 1 352.486 1.894 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000369187620 538001926 /nfs/dbraw/zinc/00/19/26/538001926.db2.gz IVTRSXHEDFENFS-HXUWFJFHSA-N 2 1 362.562 1.901 20 30 FDEDMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)C[C@H](C)O1 ZINC000424154057 538247873 /nfs/dbraw/zinc/24/78/73/538247873.db2.gz MBKAPAUSMSWZEA-JZXOWHBKSA-N 2 1 350.507 1.745 20 30 FDEDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000563140045 546421668 /nfs/dbraw/zinc/42/16/68/546421668.db2.gz AZRQFNHUDKWOHH-RTBURBONSA-N 2 1 361.486 1.175 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000569719151 549024877 /nfs/dbraw/zinc/02/48/77/549024877.db2.gz DFXLNSRIZWIRER-UHFFFAOYSA-N 2 1 362.518 1.230 20 30 FDEDMP CCN1CCN(C(=O)[C@H](C)N(C)CCOCc2ccc(C#N)cc2)CC1 ZINC000574788515 550370931 /nfs/dbraw/zinc/37/09/31/550370931.db2.gz FVFORSLVEZSSQN-KRWDZBQOSA-N 2 1 358.486 1.559 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000578610042 550781980 /nfs/dbraw/zinc/78/19/80/550781980.db2.gz IPSJTKDANJIWSA-IBGZPJMESA-N 2 1 371.485 1.154 20 30 FDEDMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439174 552310465 /nfs/dbraw/zinc/31/04/65/552310465.db2.gz SYGWXBBDHGYTLC-IAGOWNOFSA-N 2 1 358.490 1.120 20 30 FDEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c2)CCO1 ZINC000594438659 552310608 /nfs/dbraw/zinc/31/06/08/552310608.db2.gz PKFNXOWCKXGYGG-QFBILLFUSA-N 2 1 358.486 1.935 20 30 FDEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c2)CCO1 ZINC000594438659 552310610 /nfs/dbraw/zinc/31/06/10/552310610.db2.gz PKFNXOWCKXGYGG-QFBILLFUSA-N 2 1 358.486 1.935 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000594536789 552330692 /nfs/dbraw/zinc/33/06/92/552330692.db2.gz IVMRJMVRJFCNQN-OAHLLOKOSA-N 2 1 369.391 1.665 20 30 FDEDMP CC(C)C[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000595512498 552576012 /nfs/dbraw/zinc/57/60/12/552576012.db2.gz OYACNJWMMIOYDH-UHFFFAOYSA-N 2 1 358.486 1.959 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCOCCC[NH3+])CC2)cc1 ZINC000599935863 553177247 /nfs/dbraw/zinc/17/72/47/553177247.db2.gz YWNJLJVSRDTRSL-UHFFFAOYSA-N 2 1 359.474 1.141 20 30 FDEDMP N#Cc1cccc(NC(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000611530905 554642625 /nfs/dbraw/zinc/64/26/25/554642625.db2.gz FCYGPNDVMBSLOS-UHFFFAOYSA-N 2 1 372.469 1.046 20 30 FDEDMP C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625467753 556816530 /nfs/dbraw/zinc/81/65/30/556816530.db2.gz AHNORMAAGUIONK-QGZVFWFLSA-N 2 1 364.534 1.332 20 30 FDEDMP C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625467753 556816533 /nfs/dbraw/zinc/81/65/33/556816533.db2.gz AHNORMAAGUIONK-QGZVFWFLSA-N 2 1 364.534 1.332 20 30 FDEDMP COc1ccc(NC(=[NH2+])NCCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000277198790 674882125 /nfs/dbraw/zinc/88/21/25/674882125.db2.gz DOGMWIDCTLJDPU-CQSZACIVSA-N 2 1 350.463 1.931 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000278390202 675131736 /nfs/dbraw/zinc/13/17/36/675131736.db2.gz IVXHPKLFHYWZIT-OAHLLOKOSA-N 2 1 358.845 1.139 20 30 FDEDMP CCCC[N@@H+](C)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120866 671492029 /nfs/dbraw/zinc/49/20/29/671492029.db2.gz GNDWKVJEMMJRGQ-HNNXBMFYSA-N 2 1 353.511 1.599 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(c2cccs2)CC1 ZINC000261804124 672674605 /nfs/dbraw/zinc/67/46/05/672674605.db2.gz RVQWDRSGLIKBIR-MRXNPFEDSA-N 2 1 364.563 1.081 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N1CCN(C(=O)C(C)C)CC1 ZINC000262820531 672851556 /nfs/dbraw/zinc/85/15/56/672851556.db2.gz WVTRJEVOOCJWFI-KRWDZBQOSA-N 2 1 351.539 1.627 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC000267124059 673254061 /nfs/dbraw/zinc/25/40/61/673254061.db2.gz BGXPAIQDEZJVLS-KRWDZBQOSA-N 2 1 352.504 1.545 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNc1nccc(C(F)(F)F)n1 ZINC000267442233 673304574 /nfs/dbraw/zinc/30/45/74/673304574.db2.gz PFWRKBDNSQUHCH-NSHDSACASA-N 2 1 359.400 1.296 20 30 FDEDMP C=CCCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000293215776 676338122 /nfs/dbraw/zinc/33/81/22/676338122.db2.gz FIYSPMPNVYGKOM-UHFFFAOYSA-N 2 1 352.504 1.479 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OCC(F)(F)F)c1 ZINC000303872675 676543331 /nfs/dbraw/zinc/54/33/31/676543331.db2.gz CEFGFQYBZXAKOI-ZDUSSCGKSA-N 2 1 359.396 1.911 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000304749671 676544461 /nfs/dbraw/zinc/54/44/61/676544461.db2.gz HWZUJSIFOAXDON-CJNGLKHVSA-N 2 1 353.461 1.956 20 30 FDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330170408 676676542 /nfs/dbraw/zinc/67/65/42/676676542.db2.gz DQXQILWODHSMQM-KURKYZTESA-N 2 1 352.523 1.742 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965234 677531918 /nfs/dbraw/zinc/53/19/18/677531918.db2.gz WZAFFHGRULJRRO-NTDBWNAOSA-N 2 1 350.507 1.520 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965234 677531920 /nfs/dbraw/zinc/53/19/20/677531920.db2.gz WZAFFHGRULJRRO-NTDBWNAOSA-N 2 1 350.507 1.520 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371352779 677664211 /nfs/dbraw/zinc/66/42/11/677664211.db2.gz YOOAIYYJWJWQND-UHFFFAOYSA-N 2 1 350.551 1.901 20 30 FDEDMP CN(CCC[N@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)CC[NH+](C)C ZINC000517999883 690111675 /nfs/dbraw/zinc/11/16/75/690111675.db2.gz HNMAQIWWFBQWJG-UHFFFAOYSA-N 2 1 365.909 1.965 20 30 FDEDMP CN(CCC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1)CC[NH+](C)C ZINC000517999883 690111679 /nfs/dbraw/zinc/11/16/79/690111679.db2.gz HNMAQIWWFBQWJG-UHFFFAOYSA-N 2 1 365.909 1.965 20 30 FDEDMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969705471 770695805 /nfs/dbraw/zinc/69/58/05/770695805.db2.gz ZSGFJZCJDFYFAY-PMUMKWKESA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000969705471 770695821 /nfs/dbraw/zinc/69/58/21/770695821.db2.gz ZSGFJZCJDFYFAY-PMUMKWKESA-N 2 1 358.461 1.974 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001104306136 774440239 /nfs/dbraw/zinc/44/02/39/774440239.db2.gz MQPHDCVLOUHQQY-NUJGCVRESA-N 2 1 360.527 1.815 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cncs2)C1 ZINC001104306136 774440241 /nfs/dbraw/zinc/44/02/41/774440241.db2.gz MQPHDCVLOUHQQY-NUJGCVRESA-N 2 1 360.527 1.815 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000892851371 791454214 /nfs/dbraw/zinc/45/42/14/791454214.db2.gz ILSBRQITXXDYPV-ZWKOTPCHSA-N 2 1 350.507 1.268 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067085 795128941 /nfs/dbraw/zinc/12/89/41/795128941.db2.gz LXGMNHUEJXZPRG-KZNAEPCWSA-N 2 1 364.534 1.237 20 30 FDEDMP N#CCCC[C@@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000424169758 815322249 /nfs/dbraw/zinc/32/22/49/815322249.db2.gz ALXXRGRURYQZLB-GOSISDBHSA-N 2 1 359.474 1.154 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262017940 811368722 /nfs/dbraw/zinc/36/87/22/811368722.db2.gz YEZWCLLSJLOPGT-PBHICJAKSA-N 2 1 353.474 1.415 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1ccc(C#N)cc1 ZINC000505825322 816532056 /nfs/dbraw/zinc/53/20/56/816532056.db2.gz PBWLLWMGFCRMEK-SFHVURJKSA-N 2 1 358.486 1.812 20 30 FDEDMP Cc1nnc(CNC(N[C@H]2CC[N@@H+](C3CC3)C2)=[NH+]C2CCCCC2)n1C ZINC000261950643 817537754 /nfs/dbraw/zinc/53/77/54/817537754.db2.gz HFKQUQXBGUGQNW-INIZCTEOSA-N 2 1 359.522 1.728 20 30 FDEDMP Cc1nnc(CNC(N[C@H]2CC[N@H+](C3CC3)C2)=[NH+]C2CCCCC2)n1C ZINC000261950643 817537765 /nfs/dbraw/zinc/53/77/65/817537765.db2.gz HFKQUQXBGUGQNW-INIZCTEOSA-N 2 1 359.522 1.728 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087476807 818391353 /nfs/dbraw/zinc/39/13/53/818391353.db2.gz HIRNXWRHWSDWKJ-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087476807 818391359 /nfs/dbraw/zinc/39/13/59/818391359.db2.gz HIRNXWRHWSDWKJ-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP CC#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087476807 818391369 /nfs/dbraw/zinc/39/13/69/818391369.db2.gz HIRNXWRHWSDWKJ-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP CC#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087476807 818391376 /nfs/dbraw/zinc/39/13/76/818391376.db2.gz HIRNXWRHWSDWKJ-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H]1C ZINC000330823852 819644675 /nfs/dbraw/zinc/64/46/75/819644675.db2.gz DXCMMVZCMSHTFR-GJZGRUSLSA-N 2 1 366.481 1.688 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908630 823745607 /nfs/dbraw/zinc/74/56/07/823745607.db2.gz ILQXLOBSEGJWIX-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908630 823745611 /nfs/dbraw/zinc/74/56/11/823745611.db2.gz ILQXLOBSEGJWIX-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908630 823745614 /nfs/dbraw/zinc/74/56/14/823745614.db2.gz ILQXLOBSEGJWIX-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000329059196 824550073 /nfs/dbraw/zinc/55/00/73/824550073.db2.gz MZXGTTDGOXVEEO-MUQADHOPSA-N 2 1 362.522 1.789 20 30 FDEDMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000329059196 824550076 /nfs/dbraw/zinc/55/00/76/824550076.db2.gz MZXGTTDGOXVEEO-MUQADHOPSA-N 2 1 362.522 1.789 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000329059195 824550216 /nfs/dbraw/zinc/55/02/16/824550216.db2.gz MZXGTTDGOXVEEO-KYHPRHEASA-N 2 1 362.522 1.789 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC[NH+]1C ZINC000329059195 824550219 /nfs/dbraw/zinc/55/02/19/824550219.db2.gz MZXGTTDGOXVEEO-KYHPRHEASA-N 2 1 362.522 1.789 20 30 FDEDMP CC[NH+]1CCC(NC(=O)CN2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000329128769 824612850 /nfs/dbraw/zinc/61/28/50/824612850.db2.gz ZSKKSXWVGKEARA-UHFFFAOYSA-N 2 1 361.490 1.653 20 30 FDEDMP C[N@H+]1CC[C@@]2(CCN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C2)C1 ZINC000330190569 825722995 /nfs/dbraw/zinc/72/29/95/825722995.db2.gz WGHHOORNEZHXIV-HXUWFJFHSA-N 2 1 357.502 1.988 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528431884 829400794 /nfs/dbraw/zinc/40/07/94/829400794.db2.gz NTHBTUZXIGEBFX-MISYRCLQSA-N 2 1 372.513 1.256 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000528431884 829400796 /nfs/dbraw/zinc/40/07/96/829400796.db2.gz NTHBTUZXIGEBFX-MISYRCLQSA-N 2 1 372.513 1.256 20 30 FDEDMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528483354 829429913 /nfs/dbraw/zinc/42/99/13/829429913.db2.gz CTKQFUZNZROMOW-KRWDZBQOSA-N 2 1 368.437 1.524 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262839073 831638443 /nfs/dbraw/zinc/63/84/43/831638443.db2.gz WXJRRLNAKJUGSM-INIZCTEOSA-N 2 1 353.474 1.477 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262839073 831638446 /nfs/dbraw/zinc/63/84/46/831638446.db2.gz WXJRRLNAKJUGSM-INIZCTEOSA-N 3 1 353.474 1.477 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001075943542 841033487 /nfs/dbraw/zinc/03/34/87/841033487.db2.gz VWNBESXLYBKGPO-GFOJFJKKSA-N 2 1 367.493 1.290 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)O1 ZINC001075943542 841033495 /nfs/dbraw/zinc/03/34/95/841033495.db2.gz VWNBESXLYBKGPO-GFOJFJKKSA-N 2 1 367.493 1.290 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668693 843831016 /nfs/dbraw/zinc/83/10/16/843831016.db2.gz MARUNIBXVUWWNT-HNBVOPMISA-N 2 1 351.535 1.870 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668599 843837367 /nfs/dbraw/zinc/83/73/67/843837367.db2.gz LGZIEMMWJPAERO-UKAVVXHISA-N 2 1 363.546 1.708 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC[C@@H]4CCCO4)C[C@H]32)CC1 ZINC001076604661 848554720 /nfs/dbraw/zinc/55/47/20/848554720.db2.gz PUSUIDUGAVXASB-SLFFLAALSA-N 2 1 359.514 1.433 20 30 FDEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077131818 849858826 /nfs/dbraw/zinc/85/88/26/849858826.db2.gz LWHDSRMCNQUQAC-XUVXKRRUSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077131818 849858835 /nfs/dbraw/zinc/85/88/35/849858835.db2.gz LWHDSRMCNQUQAC-XUVXKRRUSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077131818 849858848 /nfs/dbraw/zinc/85/88/48/849858848.db2.gz LWHDSRMCNQUQAC-XUVXKRRUSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC001077131818 849858855 /nfs/dbraw/zinc/85/88/55/849858855.db2.gz LWHDSRMCNQUQAC-XUVXKRRUSA-N 2 1 370.497 1.482 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cn(C)nc3C)[C@@H]2C)CC1 ZINC001089060211 866390182 /nfs/dbraw/zinc/39/01/82/866390182.db2.gz YZIFAKBVYAACHJ-APWZRJJASA-N 2 1 357.502 1.153 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249848 874140510 /nfs/dbraw/zinc/14/05/10/874140510.db2.gz SQSYFLGAENQTPQ-KURKYZTESA-N 2 1 364.534 1.236 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOc2ccccc2)[C@H](C)C1 ZINC001106266399 874260558 /nfs/dbraw/zinc/26/05/58/874260558.db2.gz HUQRAPWLYOAASZ-SBHAEUEKSA-N 2 1 369.509 1.847 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOc2ccccc2)[C@H](C)C1 ZINC001106266399 874260570 /nfs/dbraw/zinc/26/05/70/874260570.db2.gz HUQRAPWLYOAASZ-SBHAEUEKSA-N 2 1 369.509 1.847 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000917091636 882971096 /nfs/dbraw/zinc/97/10/96/882971096.db2.gz AABQSHIQPUIJPH-IAGOWNOFSA-N 2 1 352.548 1.906 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129080016 885689051 /nfs/dbraw/zinc/68/90/51/885689051.db2.gz MWSBNCHVMJLIAS-MSOLQXFVSA-N 2 1 369.473 1.117 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000923350752 888983574 /nfs/dbraw/zinc/98/35/74/888983574.db2.gz NYOVQYLUQJVYNM-SBHAEUEKSA-N 2 1 351.450 1.972 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295454 889936710 /nfs/dbraw/zinc/93/67/10/889936710.db2.gz QROLOGNPYLWKSK-CGTJXYLNSA-N 2 1 363.506 1.228 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458452 893704769 /nfs/dbraw/zinc/70/47/69/893704769.db2.gz HBJMSWBDDHAGDI-IAGOWNOFSA-N 2 1 353.507 1.126 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3C)C[C@H]2O)CC1 ZINC001078228084 898431120 /nfs/dbraw/zinc/43/11/20/898431120.db2.gz CBEYYHIPTZCLAF-IOMROCGXSA-N 2 1 369.509 1.563 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146530 901967026 /nfs/dbraw/zinc/96/70/26/901967026.db2.gz RWFJQZXZZQUZAP-WOJBJXKFSA-N 2 1 369.509 1.732 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079146697 901967430 /nfs/dbraw/zinc/96/74/30/901967430.db2.gz BKMHTSAOLUUOLS-VAMGGRTRSA-N 2 1 357.498 1.588 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079146697 901967440 /nfs/dbraw/zinc/96/74/40/901967440.db2.gz BKMHTSAOLUUOLS-VAMGGRTRSA-N 2 1 357.498 1.588 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079146697 901967460 /nfs/dbraw/zinc/96/74/60/901967460.db2.gz BKMHTSAOLUUOLS-VAMGGRTRSA-N 2 1 357.498 1.588 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259505 902294797 /nfs/dbraw/zinc/29/47/97/902294797.db2.gz DAVNMHXYCDZIQA-GBESFXJTSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436418 904901999 /nfs/dbraw/zinc/90/19/99/904901999.db2.gz YXLVFNMYJSXNJT-QWFCFKBJSA-N 2 1 357.502 1.197 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436418 904902002 /nfs/dbraw/zinc/90/20/02/904902002.db2.gz YXLVFNMYJSXNJT-QWFCFKBJSA-N 2 1 357.502 1.197 20 30 FDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436403 904902248 /nfs/dbraw/zinc/90/22/48/904902248.db2.gz YKIOXARXTKPMFH-QWFCFKBJSA-N 2 1 359.518 1.750 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436403 904902250 /nfs/dbraw/zinc/90/22/50/904902250.db2.gz YKIOXARXTKPMFH-QWFCFKBJSA-N 2 1 359.518 1.750 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781084 906248931 /nfs/dbraw/zinc/24/89/31/906248931.db2.gz NENWCVYYYHTRSW-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781084 906248947 /nfs/dbraw/zinc/24/89/47/906248947.db2.gz NENWCVYYYHTRSW-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080781084 906248962 /nfs/dbraw/zinc/24/89/62/906248962.db2.gz NENWCVYYYHTRSW-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080781084 906248974 /nfs/dbraw/zinc/24/89/74/906248974.db2.gz NENWCVYYYHTRSW-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC001080946813 906781329 /nfs/dbraw/zinc/78/13/29/906781329.db2.gz MNGKWAOLILOXOM-DNVCBOLYSA-N 2 1 367.453 1.731 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1C ZINC001080946813 906781346 /nfs/dbraw/zinc/78/13/46/906781346.db2.gz MNGKWAOLILOXOM-DNVCBOLYSA-N 2 1 367.453 1.731 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081125589 907177980 /nfs/dbraw/zinc/17/79/80/907177980.db2.gz HYQINMCVDYYIMT-ZCNNSNEGSA-N 2 1 367.497 1.584 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001081167993 907288356 /nfs/dbraw/zinc/28/83/56/907288356.db2.gz BQXCRQMZCCMKOJ-ZCNNSNEGSA-N 2 1 357.498 1.866 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001081167993 907288368 /nfs/dbraw/zinc/28/83/68/907288368.db2.gz BQXCRQMZCCMKOJ-ZCNNSNEGSA-N 2 1 357.498 1.866 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1ccccc1 ZINC001081179843 907351554 /nfs/dbraw/zinc/35/15/54/907351554.db2.gz NDJXEMGMWSFEHZ-SESVDKBCSA-N 2 1 362.477 1.971 20 30 FDEDMP C#CCC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001127888396 907487682 /nfs/dbraw/zinc/48/76/82/907487682.db2.gz NHWWLTDTTIPLDP-NZSAHSFTSA-N 2 1 370.497 1.514 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001082448242 907814363 /nfs/dbraw/zinc/81/43/63/907814363.db2.gz JGOAJDZHMRHUQO-OLMNPRSZSA-N 2 1 356.470 1.598 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001082568403 908708545 /nfs/dbraw/zinc/70/85/45/908708545.db2.gz SXVBPHAACDHECS-AHRSYUTCSA-N 2 1 355.482 1.213 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001082568403 908708558 /nfs/dbraw/zinc/70/85/58/908708558.db2.gz SXVBPHAACDHECS-AHRSYUTCSA-N 2 1 355.482 1.213 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675656 916048339 /nfs/dbraw/zinc/04/83/39/916048339.db2.gz SSXZMVSHVVNZAC-MXEMCNAFSA-N 2 1 351.494 1.888 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675656 916048355 /nfs/dbraw/zinc/04/83/55/916048355.db2.gz SSXZMVSHVVNZAC-MXEMCNAFSA-N 2 1 351.494 1.888 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675656 916048381 /nfs/dbraw/zinc/04/83/81/916048381.db2.gz SSXZMVSHVVNZAC-MXEMCNAFSA-N 2 1 351.494 1.888 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CCOCC3)[C@H]2C1 ZINC001084961116 918906676 /nfs/dbraw/zinc/90/66/76/918906676.db2.gz LTCRHWVZEFZHFW-AABGKKOBSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CC3CCOCC3)[C@H]2C1 ZINC001084961116 918906680 /nfs/dbraw/zinc/90/66/80/918906680.db2.gz LTCRHWVZEFZHFW-AABGKKOBSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CC3CCOCC3)[C@H]2C1 ZINC001084961116 918906685 /nfs/dbraw/zinc/90/66/85/918906685.db2.gz LTCRHWVZEFZHFW-AABGKKOBSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CC3CCOCC3)[C@H]2C1 ZINC001084961116 918906686 /nfs/dbraw/zinc/90/66/86/918906686.db2.gz LTCRHWVZEFZHFW-AABGKKOBSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000740735990 925419876 /nfs/dbraw/zinc/41/98/76/925419876.db2.gz YSMCZJJNRIUOJV-NRFANRHFSA-N 2 1 368.525 1.579 20 30 FDEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1 ZINC001112586171 931772176 /nfs/dbraw/zinc/77/21/76/931772176.db2.gz KUONVLDMAKDWOS-ZVDOUQERSA-N 2 1 361.530 1.729 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130596878 939903992 /nfs/dbraw/zinc/90/39/92/939903992.db2.gz VDNYGSCQCKZNHY-RNIPGJKVSA-N 2 1 359.518 1.611 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131007667 940434059 /nfs/dbraw/zinc/43/40/59/940434059.db2.gz FGVNXGPMSYNGEA-IPMKNSEASA-N 2 1 371.529 1.590 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cncn1C ZINC001131082594 940488055 /nfs/dbraw/zinc/48/80/55/940488055.db2.gz SPLDPTSKWPAVFZ-IAGOWNOFSA-N 2 1 368.485 1.348 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001131464219 940621736 /nfs/dbraw/zinc/62/17/36/940621736.db2.gz IICFXHHNNZSELM-QRVBRYPASA-N 2 1 365.518 1.269 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC001086720558 941624452 /nfs/dbraw/zinc/62/44/52/941624452.db2.gz CAEXUTFQVWNGOV-SXLOBPIMSA-N 2 1 354.498 1.862 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnccc2C)C1 ZINC001086720558 941624456 /nfs/dbraw/zinc/62/44/56/941624456.db2.gz CAEXUTFQVWNGOV-SXLOBPIMSA-N 2 1 354.498 1.862 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000815652677 941933423 /nfs/dbraw/zinc/93/34/23/941933423.db2.gz MVFUJEOEXSGVEW-YESZJQIVSA-N 2 1 353.507 1.849 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000815652677 941933426 /nfs/dbraw/zinc/93/34/26/941933426.db2.gz MVFUJEOEXSGVEW-YESZJQIVSA-N 2 1 353.507 1.849 20 30 FDEDMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+](CC)CC ZINC001196115152 971486480 /nfs/dbraw/zinc/48/64/80/971486480.db2.gz KFQSOBJUEDDTGB-CEXWTWQISA-N 2 1 358.486 1.340 20 30 FDEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)[NH+](CC)CC ZINC001196115152 971486482 /nfs/dbraw/zinc/48/64/82/971486482.db2.gz KFQSOBJUEDDTGB-CEXWTWQISA-N 2 1 358.486 1.340 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccccc3C#N)C2)O1 ZINC000961991254 1013110378 /nfs/dbraw/zinc/11/03/78/1013110378.db2.gz QTZPVMZNBBXFDR-RMZQHLLMSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccccc3C#N)C2)O1 ZINC000961991254 1013110388 /nfs/dbraw/zinc/11/03/88/1013110388.db2.gz QTZPVMZNBBXFDR-RMZQHLLMSA-N 2 1 356.470 1.262 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086874663 952924663 /nfs/dbraw/zinc/92/46/63/952924663.db2.gz NCEZWVJETPYZJN-YQVWRLOYSA-N 2 1 370.497 1.893 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1c1cnn(C)c1 ZINC001087004883 953063232 /nfs/dbraw/zinc/06/32/32/953063232.db2.gz AYFDFOMINPCHBU-XUVXKRRUSA-N 2 1 371.529 1.592 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203644 954532118 /nfs/dbraw/zinc/53/21/18/954532118.db2.gz UPMOVJAQGNXPLW-ZBFHGGJFSA-N 2 1 368.319 1.771 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001092203644 954532121 /nfs/dbraw/zinc/53/21/21/954532121.db2.gz UPMOVJAQGNXPLW-ZBFHGGJFSA-N 2 1 368.319 1.771 20 30 FDEDMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001092275542 954668622 /nfs/dbraw/zinc/66/86/22/954668622.db2.gz HZYRIHZXHGBYMN-BEFAXECRSA-N 2 1 358.511 1.996 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725633 956189270 /nfs/dbraw/zinc/18/92/70/956189270.db2.gz UFMFOZDTVPLDJB-VURPSTOHSA-N 2 1 369.509 1.441 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725633 956189277 /nfs/dbraw/zinc/18/92/77/956189277.db2.gz UFMFOZDTVPLDJB-VURPSTOHSA-N 2 1 369.509 1.441 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092725633 956189280 /nfs/dbraw/zinc/18/92/80/956189280.db2.gz UFMFOZDTVPLDJB-VURPSTOHSA-N 2 1 369.509 1.441 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092725633 956189281 /nfs/dbraw/zinc/18/92/81/956189281.db2.gz UFMFOZDTVPLDJB-VURPSTOHSA-N 2 1 369.509 1.441 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3conc3C)C[C@H]2C)CC1 ZINC001093224333 957854120 /nfs/dbraw/zinc/85/41/20/957854120.db2.gz QRJSEGJQLMBQBG-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C)[C@H](C)C1 ZINC001093832898 958926028 /nfs/dbraw/zinc/92/60/28/958926028.db2.gz GKRPIDRTSXHWPW-SUMDDJOVSA-N 2 1 357.502 1.010 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(C)nc2C)[C@H](C)C1 ZINC001093832898 958926036 /nfs/dbraw/zinc/92/60/36/958926036.db2.gz GKRPIDRTSXHWPW-SUMDDJOVSA-N 2 1 357.502 1.010 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)C1 ZINC001094221760 960050429 /nfs/dbraw/zinc/05/04/29/960050429.db2.gz UMVHLOGURQGQOB-DNVCBOLYSA-N 2 1 351.454 1.948 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1 ZINC001094234035 960143298 /nfs/dbraw/zinc/14/32/98/960143298.db2.gz GVYYINIHLPQBKF-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1 ZINC001094234035 960143306 /nfs/dbraw/zinc/14/33/06/960143306.db2.gz GVYYINIHLPQBKF-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000775791434 972492231 /nfs/dbraw/zinc/49/22/31/972492231.db2.gz MJWQKNDVCBLODY-VQTJNVASSA-N 2 1 355.482 1.669 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474397 960641633 /nfs/dbraw/zinc/64/16/33/960641633.db2.gz XTCUSBJHNNOMFW-HSGZRYJKSA-N 2 1 359.514 1.787 20 30 FDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474397 960641645 /nfs/dbraw/zinc/64/16/45/960641645.db2.gz XTCUSBJHNNOMFW-HSGZRYJKSA-N 2 1 359.514 1.787 20 30 FDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474397 960641658 /nfs/dbraw/zinc/64/16/58/960641658.db2.gz XTCUSBJHNNOMFW-HSGZRYJKSA-N 2 1 359.514 1.787 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182693533 962446528 /nfs/dbraw/zinc/44/65/28/962446528.db2.gz VTKSEYIDBSFZMB-FGTMMUONSA-N 2 1 364.534 1.332 20 30 FDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186409606 964477292 /nfs/dbraw/zinc/47/72/92/964477292.db2.gz AFVAIECTMFWPME-FGTMMUONSA-N 2 1 365.518 1.126 20 30 FDEDMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186409606 964477304 /nfs/dbraw/zinc/47/73/04/964477304.db2.gz AFVAIECTMFWPME-FGTMMUONSA-N 2 1 365.518 1.126 20 30 FDEDMP CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852871880 967677896 /nfs/dbraw/zinc/67/78/96/967677896.db2.gz DECFWWUSYFOSSS-LEWJYISDSA-N 2 1 369.509 1.785 20 30 FDEDMP CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852871880 967677898 /nfs/dbraw/zinc/67/78/98/967677898.db2.gz DECFWWUSYFOSSS-LEWJYISDSA-N 2 1 369.509 1.785 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190370627 967803507 /nfs/dbraw/zinc/80/35/07/967803507.db2.gz IILKKGVDJIPURF-ZWKOTPCHSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370627 967803527 /nfs/dbraw/zinc/80/35/27/967803527.db2.gz IILKKGVDJIPURF-ZWKOTPCHSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190370627 967803537 /nfs/dbraw/zinc/80/35/37/967803537.db2.gz IILKKGVDJIPURF-ZWKOTPCHSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660388 967820941 /nfs/dbraw/zinc/82/09/41/967820941.db2.gz CKVCBFGYCZLBLX-TVFCKZIOSA-N 2 1 362.518 1.273 20 30 FDEDMP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660388 967820954 /nfs/dbraw/zinc/82/09/54/967820954.db2.gz CKVCBFGYCZLBLX-TVFCKZIOSA-N 2 1 362.518 1.273 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660388 967820964 /nfs/dbraw/zinc/82/09/64/967820964.db2.gz CKVCBFGYCZLBLX-TVFCKZIOSA-N 2 1 362.518 1.273 20 30 FDEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CCC[NH+]1C(C)C)C2 ZINC001110660388 967820979 /nfs/dbraw/zinc/82/09/79/967820979.db2.gz CKVCBFGYCZLBLX-TVFCKZIOSA-N 2 1 362.518 1.273 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)CC1 ZINC000847483392 975707630 /nfs/dbraw/zinc/70/76/30/975707630.db2.gz AHZNSTRSFCCJFM-FQEVSTJZSA-N 2 1 373.545 1.381 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849522199 977717413 /nfs/dbraw/zinc/71/74/13/977717413.db2.gz JWRHRHFZJIQNGE-OALUTQOASA-N 2 1 359.518 1.612 20 30 FDEDMP C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000880481732 979222063 /nfs/dbraw/zinc/22/20/63/979222063.db2.gz ZWXAGXIMDLWRRG-ICSRJNTNSA-N 2 1 369.509 1.616 20 30 FDEDMP C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000880481732 979222070 /nfs/dbraw/zinc/22/20/70/979222070.db2.gz ZWXAGXIMDLWRRG-ICSRJNTNSA-N 2 1 369.509 1.616 20 30 FDEDMP CC[N@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000883711607 982407983 /nfs/dbraw/zinc/40/79/83/982407983.db2.gz SPRRMWGHNSXCOY-IBGZPJMESA-N 2 1 355.486 1.916 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC000884006918 982697905 /nfs/dbraw/zinc/69/79/05/982697905.db2.gz INMCOEXXQNFLLG-OBXNSHGQSA-N 2 1 352.482 1.860 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000884053977 982772627 /nfs/dbraw/zinc/77/26/27/982772627.db2.gz MPSNQNPGKYYHJJ-TVRKMHQQSA-N 2 1 360.502 1.277 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000884106903 982876507 /nfs/dbraw/zinc/87/65/07/982876507.db2.gz FLVDVQXUQFGVLU-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000884106903 982876513 /nfs/dbraw/zinc/87/65/13/982876513.db2.gz FLVDVQXUQFGVLU-GOSISDBHSA-N 2 1 358.486 1.524 20 30 FDEDMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884278949 983049905 /nfs/dbraw/zinc/04/99/05/983049905.db2.gz XMVIPVFBZXMJRC-RHELOZEPSA-N 2 1 354.454 1.307 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884448921 983161717 /nfs/dbraw/zinc/16/17/17/983161717.db2.gz PXYALNBZFKEIQS-HOIRFXKYSA-N 2 1 352.482 1.764 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000296660450 989351370 /nfs/dbraw/zinc/35/13/70/989351370.db2.gz NXCWNHGAZHLCIT-IBGZPJMESA-N 2 1 358.486 1.008 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000296660450 989351382 /nfs/dbraw/zinc/35/13/82/989351382.db2.gz NXCWNHGAZHLCIT-IBGZPJMESA-N 2 1 358.486 1.008 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000296660450 989351390 /nfs/dbraw/zinc/35/13/90/989351390.db2.gz NXCWNHGAZHLCIT-IBGZPJMESA-N 2 1 358.486 1.008 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000370569633 989849277 /nfs/dbraw/zinc/84/92/77/989849277.db2.gz PHTJSUYHTZLMOQ-RTBURBONSA-N 2 1 364.534 1.970 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000876780995 992906821 /nfs/dbraw/zinc/90/68/21/992906821.db2.gz LLVDRZZOOHVSOK-ZWKOTPCHSA-N 2 1 364.921 1.951 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000876780995 992906824 /nfs/dbraw/zinc/90/68/24/992906824.db2.gz LLVDRZZOOHVSOK-ZWKOTPCHSA-N 2 1 364.921 1.951 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000876780995 992906829 /nfs/dbraw/zinc/90/68/29/992906829.db2.gz LLVDRZZOOHVSOK-ZWKOTPCHSA-N 2 1 364.921 1.951 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000876976306 992992730 /nfs/dbraw/zinc/99/27/30/992992730.db2.gz NRBROOZBNXLIFV-IAGOWNOFSA-N 2 1 350.894 1.389 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000876976306 992992731 /nfs/dbraw/zinc/99/27/31/992992731.db2.gz NRBROOZBNXLIFV-IAGOWNOFSA-N 2 1 350.894 1.389 20 30 FDEDMP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000878290592 993883137 /nfs/dbraw/zinc/88/31/37/993883137.db2.gz BEHHKEXQEULSFG-SFHVURJKSA-N 2 1 365.518 1.808 20 30 FDEDMP CC[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3C[C@H](O)[C@H](CC)C3)c2)C[C@@H]1O ZINC000878322068 993906209 /nfs/dbraw/zinc/90/62/09/993906209.db2.gz WFZNGDYGJBNVFQ-CGXNFDGLSA-N 2 1 357.498 1.964 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCCO[C@H]1c1ccccc1 ZINC000264073008 997394922 /nfs/dbraw/zinc/39/49/22/997394922.db2.gz DRJMSHRBRZPZJL-MOPGFXCFSA-N 2 1 360.502 1.781 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(Cn2cccn2)c1 ZINC000264134132 997409661 /nfs/dbraw/zinc/40/96/61/997409661.db2.gz YZXWDEMAOJWTCH-UHFFFAOYSA-N 2 1 356.474 1.058 20 30 FDEDMP COc1ccc2cc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)ccc2c1 ZINC000264135963 997411564 /nfs/dbraw/zinc/41/15/64/997411564.db2.gz VDZWYDBQASQIIT-UHFFFAOYSA-N 2 1 356.470 1.975 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000264137485 997411744 /nfs/dbraw/zinc/41/17/44/997411744.db2.gz VOMHFJWAYAJRJN-UHFFFAOYSA-N 3 1 373.545 1.799 20 30 FDEDMP CN(C)c1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c2ccccc2n1 ZINC000267415685 999329981 /nfs/dbraw/zinc/32/99/81/999329981.db2.gz JFLWZBAQWXREOC-UHFFFAOYSA-N 2 1 370.501 1.427 20 30 FDEDMP CC1CCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000267469437 999343686 /nfs/dbraw/zinc/34/36/86/999343686.db2.gz XHINTCBNGAVKHX-IBGZPJMESA-N 2 1 371.529 1.931 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270817664 999619212 /nfs/dbraw/zinc/61/92/12/999619212.db2.gz HXSPHMKGNIGRAX-LEWJYISDSA-N 2 1 369.509 1.331 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC000283653548 182242960 /nfs/dbraw/zinc/24/29/60/182242960.db2.gz UCLPBTRXNQMCNQ-UHFFFAOYSA-N 2 1 356.470 1.566 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000553361797 543619285 /nfs/dbraw/zinc/61/92/85/543619285.db2.gz RVAZJUFTNMPCEZ-KRWDZBQOSA-N 2 1 362.518 1.276 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000328960709 259068938 /nfs/dbraw/zinc/06/89/38/259068938.db2.gz QJGKVACXCBPXNZ-YFVAEKQCSA-N 2 1 372.513 1.256 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)c1ccc(Cl)c(F)c1 ZINC000270552274 674226644 /nfs/dbraw/zinc/22/66/44/674226644.db2.gz GLTABORYCSGBKC-HNNXBMFYSA-N 2 1 358.845 1.139 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000074132445 522688893 /nfs/dbraw/zinc/68/88/93/522688893.db2.gz ZSJRKKMROAZYSF-IBGZPJMESA-N 3 1 365.566 1.694 20 30 FDEDMP COCc1ccccc1NC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000122126357 524458638 /nfs/dbraw/zinc/45/86/38/524458638.db2.gz PRZUZOWYLFWATC-UHFFFAOYSA-N 2 1 368.485 1.907 20 30 FDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)N1CCc2sccc2C1 ZINC000104173544 525397093 /nfs/dbraw/zinc/39/70/93/525397093.db2.gz QGFGEBOVXFHMPM-HNNXBMFYSA-N 2 1 365.547 1.121 20 30 FDEDMP COc1ccc(OCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000104178533 525397688 /nfs/dbraw/zinc/39/76/88/525397688.db2.gz GOGADLGAGCPTDG-UHFFFAOYSA-N 2 1 350.463 1.091 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000104183530 525400316 /nfs/dbraw/zinc/40/03/16/525400316.db2.gz BAGVOLAZYZJPJM-DLBZAZTESA-N 2 1 359.518 1.910 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(c2ccccn2)CC1 ZINC000262798666 536903830 /nfs/dbraw/zinc/90/38/30/536903830.db2.gz QGMRQOMYDGGOTD-GOSISDBHSA-N 2 1 362.547 1.216 20 30 FDEDMP [NH2+]=C(NCCCCOc1ccc(F)cc1)NCCC[NH+]1CCOCC1 ZINC000264153315 537138405 /nfs/dbraw/zinc/13/84/05/537138405.db2.gz ZUOOTJSGFQCOGO-UHFFFAOYSA-N 2 1 352.454 1.611 20 30 FDEDMP C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262775436 537254526 /nfs/dbraw/zinc/25/45/26/537254526.db2.gz JDECMTLEDHTLBJ-QZTJIDSGSA-N 2 1 372.513 1.782 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCn1cc(Br)cn1 ZINC000279881047 537357652 /nfs/dbraw/zinc/35/76/52/537357652.db2.gz AYWLBJAIBBRFIT-AWEZNQCLSA-N 2 1 371.327 1.814 20 30 FDEDMP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330425658 537656809 /nfs/dbraw/zinc/65/68/09/537656809.db2.gz JHAFOTFTORWFOS-JYJNAYRXSA-N 2 1 368.522 1.635 20 30 FDEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371260013 537792999 /nfs/dbraw/zinc/79/29/99/537792999.db2.gz XBSIFSIHUGVERX-IBGZPJMESA-N 2 1 372.513 1.905 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000375900492 537794952 /nfs/dbraw/zinc/79/49/52/537794952.db2.gz HCJUPPCNLHEQFZ-HXUWFJFHSA-N 2 1 369.513 1.987 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000561415089 545838166 /nfs/dbraw/zinc/83/81/66/545838166.db2.gz WCPQJFWLUZGNSD-UHFFFAOYSA-N 2 1 364.534 1.332 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000561451045 545856296 /nfs/dbraw/zinc/85/62/96/545856296.db2.gz ZYZZKWVROKOQSJ-WBVHZDCISA-N 2 1 350.507 1.084 20 30 FDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000562992778 546345302 /nfs/dbraw/zinc/34/53/02/546345302.db2.gz XWZHQTTZZMZMKG-IBGZPJMESA-N 2 1 361.486 1.777 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000576628446 550569680 /nfs/dbraw/zinc/56/96/80/550569680.db2.gz YTYVBNBGAJTIKT-SFHVURJKSA-N 2 1 372.469 1.494 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591358526 551865739 /nfs/dbraw/zinc/86/57/39/551865739.db2.gz BSAREAVVBCRLRA-IBGZPJMESA-N 2 1 355.486 1.918 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591360429 551866237 /nfs/dbraw/zinc/86/62/37/551866237.db2.gz UKFXZVZXOROIPV-LJQANCHMSA-N 2 1 355.486 1.918 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC3(C[NH3+])CC3)CC2)cc1 ZINC000593714816 552181048 /nfs/dbraw/zinc/18/10/48/552181048.db2.gz BQRBRKBMPGBASU-UHFFFAOYSA-N 2 1 355.486 1.905 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000611386256 554630495 /nfs/dbraw/zinc/63/04/95/554630495.db2.gz HJCPCYZHUDMISM-APWZRJJASA-N 2 1 358.486 1.682 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000277504160 674956495 /nfs/dbraw/zinc/95/64/95/674956495.db2.gz VTLXTWZEEIIROL-CYBMUJFWSA-N 2 1 372.922 1.632 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ncccc1C(F)(F)F ZINC000160517833 672002515 /nfs/dbraw/zinc/00/25/15/672002515.db2.gz SZDHIALPQWNGHD-GFCCVEGCSA-N 2 1 359.396 1.868 20 30 FDEDMP [NH2+]=C(NCC[N@@H+]1CCCOCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000187856113 672287262 /nfs/dbraw/zinc/28/72/62/672287262.db2.gz RRUBIHZJZVNMQV-UHFFFAOYSA-N 2 1 365.909 1.499 20 30 FDEDMP [NH2+]=C(NCC[N@H+]1CCCOCC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000187856113 672287264 /nfs/dbraw/zinc/28/72/64/672287264.db2.gz RRUBIHZJZVNMQV-UHFFFAOYSA-N 2 1 365.909 1.499 20 30 FDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000262013264 672711899 /nfs/dbraw/zinc/71/18/99/672711899.db2.gz XCIZCZBIAPWPRB-AWEZNQCLSA-N 2 1 361.881 1.684 20 30 FDEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262792869 672850204 /nfs/dbraw/zinc/85/02/04/672850204.db2.gz OQPZDAQAIXVDIC-LUXYFRNMSA-N 2 1 354.564 1.792 20 30 FDEDMP C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262790078 672850289 /nfs/dbraw/zinc/85/02/89/672850289.db2.gz NSCZWERXRVLXCO-WMZOPIPTSA-N 2 1 352.523 1.157 20 30 FDEDMP [NH2+]=C(NCC[NH+]1CCC(O)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000263078141 672861175 /nfs/dbraw/zinc/86/11/75/672861175.db2.gz HKUCDVMXODCAKZ-UHFFFAOYSA-N 2 1 365.909 1.233 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1OC(F)(F)F ZINC000264121096 672901963 /nfs/dbraw/zinc/90/19/63/672901963.db2.gz RAIDYZMAJBALIK-UHFFFAOYSA-N 2 1 360.380 1.712 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)c(OC)c1 ZINC000264140210 672902997 /nfs/dbraw/zinc/90/29/97/672902997.db2.gz WIZUATKKEAVEKK-AWEZNQCLSA-N 2 1 350.463 1.601 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000284273897 675683756 /nfs/dbraw/zinc/68/37/56/675683756.db2.gz MYLCFYCBMPRVES-MRXNPFEDSA-N 2 1 364.515 1.234 20 30 FDEDMP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1OC ZINC000303787825 676543003 /nfs/dbraw/zinc/54/30/03/676543003.db2.gz SWXHFUFGFHFUIQ-OAHLLOKOSA-N 2 1 350.463 1.787 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369388118 677505396 /nfs/dbraw/zinc/50/53/96/677505396.db2.gz FCKSCZGFLZYORO-OALUTQOASA-N 2 1 350.551 1.900 20 30 FDEDMP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)[N@@H+](C)C1 ZINC000329042152 782333308 /nfs/dbraw/zinc/33/33/08/782333308.db2.gz TTWFBJSFOJLMRV-OALUTQOASA-N 2 1 361.486 1.819 20 30 FDEDMP C#CCCN1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193939 771223081 /nfs/dbraw/zinc/22/30/81/771223081.db2.gz NWZDHWSCDWGAQA-FRQCXROJSA-N 2 1 351.466 1.134 20 30 FDEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193939 771223090 /nfs/dbraw/zinc/22/30/90/771223090.db2.gz NWZDHWSCDWGAQA-FRQCXROJSA-N 2 1 351.466 1.134 20 30 FDEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193939 771223094 /nfs/dbraw/zinc/22/30/94/771223094.db2.gz NWZDHWSCDWGAQA-FRQCXROJSA-N 2 1 351.466 1.134 20 30 FDEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193939 771223105 /nfs/dbraw/zinc/22/31/05/771223105.db2.gz NWZDHWSCDWGAQA-FRQCXROJSA-N 2 1 351.466 1.134 20 30 FDEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083193939 771223112 /nfs/dbraw/zinc/22/31/12/771223112.db2.gz NWZDHWSCDWGAQA-FRQCXROJSA-N 2 1 351.466 1.134 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ocnc2C)C1 ZINC001104305949 774436684 /nfs/dbraw/zinc/43/66/84/774436684.db2.gz BPZDBXLWOHQXCR-NXHRZFHOSA-N 2 1 358.486 1.655 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ocnc2C)C1 ZINC001104305949 774436687 /nfs/dbraw/zinc/43/66/87/774436687.db2.gz BPZDBXLWOHQXCR-NXHRZFHOSA-N 2 1 358.486 1.655 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162454596 787849549 /nfs/dbraw/zinc/84/95/49/787849549.db2.gz RLJZABVBLQJXFM-NRFANRHFSA-N 2 1 373.545 1.538 20 30 FDEDMP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001112530347 806570178 /nfs/dbraw/zinc/57/01/78/806570178.db2.gz POEMSVVYSOVJIY-RXVVDRJESA-N 2 1 361.530 1.586 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC[NH+]1C ZINC000978181772 805262044 /nfs/dbraw/zinc/26/20/44/805262044.db2.gz PLCCIDAHMCBLSI-CBFGRJNTSA-N 2 1 352.482 1.692 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)CC[NH+]1C ZINC000978181772 805262052 /nfs/dbraw/zinc/26/20/52/805262052.db2.gz PLCCIDAHMCBLSI-CBFGRJNTSA-N 2 1 352.482 1.692 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC000978350420 805364462 /nfs/dbraw/zinc/36/44/62/805364462.db2.gz GMJHACAVNHNUMY-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC000978350420 805364468 /nfs/dbraw/zinc/36/44/68/805364468.db2.gz GMJHACAVNHNUMY-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC000978350420 805364475 /nfs/dbraw/zinc/36/44/75/805364475.db2.gz GMJHACAVNHNUMY-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC000978350420 805364480 /nfs/dbraw/zinc/36/44/80/805364480.db2.gz GMJHACAVNHNUMY-MRBRGOBGSA-N 2 1 368.481 1.071 20 30 FDEDMP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001112531599 807081250 /nfs/dbraw/zinc/08/12/50/807081250.db2.gz HIRAXIPEWCWQHH-RXVVDRJESA-N 2 1 363.546 1.832 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001028628172 811641536 /nfs/dbraw/zinc/64/15/36/811641536.db2.gz OTAHQPUQFKVMIQ-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)cc3)C2)O1 ZINC001028628172 811641548 /nfs/dbraw/zinc/64/15/48/811641548.db2.gz OTAHQPUQFKVMIQ-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001028628172 811641561 /nfs/dbraw/zinc/64/15/61/811641561.db2.gz OTAHQPUQFKVMIQ-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)O1 ZINC001028628172 811641570 /nfs/dbraw/zinc/64/15/70/811641570.db2.gz OTAHQPUQFKVMIQ-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367026568 814238087 /nfs/dbraw/zinc/23/80/87/814238087.db2.gz BDYPRBWYYPSGPT-MJGOQNOKSA-N 2 1 372.513 1.903 20 30 FDEDMP COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367026568 814238093 /nfs/dbraw/zinc/23/80/93/814238093.db2.gz BDYPRBWYYPSGPT-MJGOQNOKSA-N 2 1 372.513 1.903 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261947542 817288802 /nfs/dbraw/zinc/28/88/02/817288802.db2.gz GIYRCYIUERCJIE-FUHWJXTLSA-N 3 1 363.550 1.279 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261947542 817288812 /nfs/dbraw/zinc/28/88/12/817288812.db2.gz GIYRCYIUERCJIE-FUHWJXTLSA-N 2 1 363.550 1.279 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N(C)Cc1cccn1C ZINC000261950143 817540540 /nfs/dbraw/zinc/54/05/40/817540540.db2.gz HCNDKUCIGMCBBR-UHFFFAOYSA-N 2 1 374.577 1.983 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N1CC[C@]2(CCOC2)C1 ZINC000261980641 817904092 /nfs/dbraw/zinc/90/40/92/817904092.db2.gz OUGVFCFEFADFGO-FQEVSTJZSA-N 2 1 356.514 1.773 20 30 FDEDMP COc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000983705685 818627506 /nfs/dbraw/zinc/62/75/06/818627506.db2.gz ZATKKAGUZVIIFU-YCEFEEMOSA-N 2 1 370.497 1.891 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001075798509 820435262 /nfs/dbraw/zinc/43/52/62/820435262.db2.gz CXOYJXXTASPURN-PCCBWWKXSA-N 2 1 364.493 1.933 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665620 821978087 /nfs/dbraw/zinc/97/80/87/821978087.db2.gz ZBMCCFMIAGQOTR-HNCZQISISA-N 2 1 353.894 1.571 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665620 821978089 /nfs/dbraw/zinc/97/80/89/821978089.db2.gz ZBMCCFMIAGQOTR-HNCZQISISA-N 2 1 353.894 1.571 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665620 821978090 /nfs/dbraw/zinc/97/80/90/821978090.db2.gz ZBMCCFMIAGQOTR-HNCZQISISA-N 2 1 353.894 1.571 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665620 821978094 /nfs/dbraw/zinc/97/80/94/821978094.db2.gz ZBMCCFMIAGQOTR-HNCZQISISA-N 2 1 353.894 1.571 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ocnc3C)[C@@H]2CC)CC1 ZINC001087840354 822559471 /nfs/dbraw/zinc/55/94/71/822559471.db2.gz UAIVFPJEEVVJPX-ZWKOTPCHSA-N 2 1 358.486 1.797 20 30 FDEDMP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCn3ccnc3C2)C[C@@H](C)O1 ZINC000330267910 825782738 /nfs/dbraw/zinc/78/27/38/825782738.db2.gz IIVOXOYNFJQIPW-VQHPVUNQSA-N 2 1 361.490 1.686 20 30 FDEDMP CN1CC[NH+](CC2(C)CCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)CC1 ZINC000330279287 825786532 /nfs/dbraw/zinc/78/65/32/825786532.db2.gz QUZIGPRQAKWDBW-KRWDZBQOSA-N 2 1 374.533 1.461 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](C[C@H]4CCOC4)CC[C@@H]3C2)CC1 ZINC001088211888 827492773 /nfs/dbraw/zinc/49/27/73/827492773.db2.gz DYUMUMODEGPRQU-RLLQIKCJSA-N 2 1 359.514 1.148 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ocnc4C)CC[C@@H]3C2)CC1 ZINC001088211958 827493061 /nfs/dbraw/zinc/49/30/61/827493061.db2.gz IDFMKQMRKDVAQO-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262674568 830031244 /nfs/dbraw/zinc/03/12/44/830031244.db2.gz QNXREISUBCVCNH-VQIMIIECSA-N 2 1 369.557 1.876 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262674568 830031250 /nfs/dbraw/zinc/03/12/50/830031250.db2.gz QNXREISUBCVCNH-VQIMIIECSA-N 3 1 369.557 1.876 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262674568 830031255 /nfs/dbraw/zinc/03/12/55/830031255.db2.gz QNXREISUBCVCNH-VQIMIIECSA-N 3 1 369.557 1.876 20 30 FDEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544644 839952286 /nfs/dbraw/zinc/95/22/86/839952286.db2.gz OZTIGHNLQSGYTB-GUDVDZBRSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CCC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544644 839952289 /nfs/dbraw/zinc/95/22/89/839952289.db2.gz OZTIGHNLQSGYTB-GUDVDZBRSA-N 2 1 361.530 1.870 20 30 FDEDMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076242368 847663960 /nfs/dbraw/zinc/66/39/60/847663960.db2.gz BHENPRVURRZDSX-HLAWJBBLSA-N 2 1 351.494 1.913 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076242368 847663965 /nfs/dbraw/zinc/66/39/65/847663965.db2.gz BHENPRVURRZDSX-HLAWJBBLSA-N 2 1 351.494 1.913 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076242368 847663970 /nfs/dbraw/zinc/66/39/70/847663970.db2.gz BHENPRVURRZDSX-HLAWJBBLSA-N 2 1 351.494 1.913 20 30 FDEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076242368 847663973 /nfs/dbraw/zinc/66/39/73/847663973.db2.gz BHENPRVURRZDSX-HLAWJBBLSA-N 2 1 351.494 1.913 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001076569205 848466163 /nfs/dbraw/zinc/46/61/63/848466163.db2.gz NOXLPNVDSXMXHF-FRQCXROJSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001076569205 848466170 /nfs/dbraw/zinc/46/61/70/848466170.db2.gz NOXLPNVDSXMXHF-FRQCXROJSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001076569205 848466174 /nfs/dbraw/zinc/46/61/74/848466174.db2.gz NOXLPNVDSXMXHF-FRQCXROJSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001076569205 848466179 /nfs/dbraw/zinc/46/61/79/848466179.db2.gz NOXLPNVDSXMXHF-FRQCXROJSA-N 2 1 356.445 1.682 20 30 FDEDMP C=CCN1CCN(C)C2(CC[NH+](C3CC[NH+](CC4CC4)CC3)CC2)C1=O ZINC001168377602 862433378 /nfs/dbraw/zinc/43/33/78/862433378.db2.gz JUIXEAPCWPACFX-UHFFFAOYSA-N 2 1 360.546 1.655 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCOCC2)[C@H](C)C1 ZINC001106266285 874260005 /nfs/dbraw/zinc/26/00/05/874260005.db2.gz ADIUHUUANWSXMQ-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCC2CCOCC2)[C@H](C)C1 ZINC001106266285 874260016 /nfs/dbraw/zinc/26/00/16/874260016.db2.gz ADIUHUUANWSXMQ-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765590 877639344 /nfs/dbraw/zinc/63/93/44/877639344.db2.gz KDNILQDDCDCLFA-RTBURBONSA-N 2 1 367.534 1.376 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001005407223 883298089 /nfs/dbraw/zinc/29/80/89/883298089.db2.gz NTEZYKQDABJMGK-KBAYOESNSA-N 2 1 362.518 1.036 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219935 886602284 /nfs/dbraw/zinc/60/22/84/886602284.db2.gz OPQOGDMKNIUIDK-ZACQAIPSSA-N 2 1 360.506 1.316 20 30 FDEDMP COCC[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000265794708 893185721 /nfs/dbraw/zinc/18/57/21/893185721.db2.gz XQVYNZQTEMBTSC-LJQANCHMSA-N 2 1 373.501 1.352 20 30 FDEDMP C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128106956 896958466 /nfs/dbraw/zinc/95/84/66/896958466.db2.gz JVROJJPBOSBQIF-BPQIPLTHSA-N 2 1 357.502 1.392 20 30 FDEDMP C#CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995267915 897652307 /nfs/dbraw/zinc/65/23/07/897652307.db2.gz QNEUIMJQDJZJNR-MISYRCLQSA-N 2 1 354.498 1.706 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995267915 897652322 /nfs/dbraw/zinc/65/23/22/897652322.db2.gz QNEUIMJQDJZJNR-MISYRCLQSA-N 2 1 354.498 1.706 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995267915 897652338 /nfs/dbraw/zinc/65/23/38/897652338.db2.gz QNEUIMJQDJZJNR-MISYRCLQSA-N 2 1 354.498 1.706 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCc4ccccc43)C[C@H]2O)CC1 ZINC001078227110 898427683 /nfs/dbraw/zinc/42/76/83/898427683.db2.gz JKSHHVFZALEULD-QHAWAJNXSA-N 2 1 367.493 1.180 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710468 903120239 /nfs/dbraw/zinc/12/02/39/903120239.db2.gz JLIXNHPGJHIVLI-CDHQVMDDSA-N 2 1 352.482 1.837 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710597 903122055 /nfs/dbraw/zinc/12/20/55/903122055.db2.gz PBPKJVFJXUXANO-CDHQVMDDSA-N 2 1 352.482 1.837 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)c3ccc4c[nH+]cn4c3)CCC[C@@H]12 ZINC001107470141 905088714 /nfs/dbraw/zinc/08/87/14/905088714.db2.gz BQKPAFCINKNPEG-TZIWHRDSSA-N 2 1 366.465 1.959 20 30 FDEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578877 905781281 /nfs/dbraw/zinc/78/12/81/905781281.db2.gz GDIPPRDZKPTUSH-TZIWHRDSSA-N 2 1 361.530 1.873 20 30 FDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107578877 905781293 /nfs/dbraw/zinc/78/12/93/905781293.db2.gz GDIPPRDZKPTUSH-TZIWHRDSSA-N 2 1 361.530 1.873 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787903 906315126 /nfs/dbraw/zinc/31/51/26/906315126.db2.gz XFIXTIHFBIZFLT-CRAIPNDOSA-N 2 1 368.481 1.599 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001080787903 906315144 /nfs/dbraw/zinc/31/51/44/906315144.db2.gz XFIXTIHFBIZFLT-CRAIPNDOSA-N 2 1 368.481 1.599 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)c3cnccn3)C[C@H]2C)CC1 ZINC001080998101 906973771 /nfs/dbraw/zinc/97/37/71/906973771.db2.gz SLGHULPVCXLRBN-GPMSIDNRSA-N 2 1 355.486 1.319 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3cnccn3)C[C@H]2C)CC1 ZINC001080998101 906973776 /nfs/dbraw/zinc/97/37/76/906973776.db2.gz SLGHULPVCXLRBN-GPMSIDNRSA-N 2 1 355.486 1.319 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3=CCCCC3)C[C@H]2OC)CC1 ZINC001082384359 907387638 /nfs/dbraw/zinc/38/76/38/907387638.db2.gz REAKZEZORPTZGA-WOJBJXKFSA-N 2 1 359.514 1.647 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001082567803 908702939 /nfs/dbraw/zinc/70/29/39/908702939.db2.gz CFKAADQKZIVNFP-LZQZEXGQSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001082567803 908702959 /nfs/dbraw/zinc/70/29/59/908702959.db2.gz CFKAADQKZIVNFP-LZQZEXGQSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001082568112 908707418 /nfs/dbraw/zinc/70/74/18/908707418.db2.gz YGLNJJBZTSZVAM-BMFZPTHFSA-N 2 1 362.499 1.186 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(OC)ns2)C1 ZINC001082568112 908707426 /nfs/dbraw/zinc/70/74/26/908707426.db2.gz YGLNJJBZTSZVAM-BMFZPTHFSA-N 2 1 362.499 1.186 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@H]2C)cc1C#N ZINC001082741806 909941504 /nfs/dbraw/zinc/94/15/04/909941504.db2.gz DFKHXHWUCCUTAX-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1 ZINC001084629242 915749393 /nfs/dbraw/zinc/74/93/93/915749393.db2.gz MPUWXYUIUHHTAW-WOJBJXKFSA-N 2 1 352.482 1.933 20 30 FDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)s1 ZINC001084777828 917053093 /nfs/dbraw/zinc/05/30/93/917053093.db2.gz RCJNNBIWVSWKJF-RHSMWYFYSA-N 2 1 356.495 1.748 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)s1 ZINC001084777828 917053098 /nfs/dbraw/zinc/05/30/98/917053098.db2.gz RCJNNBIWVSWKJF-RHSMWYFYSA-N 2 1 356.495 1.748 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673831 930115619 /nfs/dbraw/zinc/11/56/19/930115619.db2.gz RYDONMVQMSOFCC-IKGGRYGDSA-N 2 1 350.507 1.084 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673831 930115623 /nfs/dbraw/zinc/11/56/23/930115623.db2.gz RYDONMVQMSOFCC-IKGGRYGDSA-N 2 1 350.507 1.084 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044072 938643413 /nfs/dbraw/zinc/64/34/13/938643413.db2.gz OMVXAEAIMVHSLT-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590183 939896273 /nfs/dbraw/zinc/89/62/73/939896273.db2.gz DBTKETGGWWOCTD-QXAKKESOSA-N 2 1 357.502 1.200 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607990 939920144 /nfs/dbraw/zinc/92/01/44/939920144.db2.gz VQZGVSSNLVCRBJ-WSTZPKSXSA-N 2 1 371.529 1.590 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130734647 940035089 /nfs/dbraw/zinc/03/50/89/940035089.db2.gz XVOHXOHMDVFTGQ-QXAKKESOSA-N 2 1 357.502 1.202 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131023291 940456777 /nfs/dbraw/zinc/45/67/77/940456777.db2.gz WNZVIOOSROAMCB-GUDVDZBRSA-N 2 1 371.529 1.448 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130337 940510889 /nfs/dbraw/zinc/51/08/89/940510889.db2.gz HARSAGVACOFZQK-RCCFBDPRSA-N 2 1 361.534 1.999 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361798 940558672 /nfs/dbraw/zinc/55/86/72/940558672.db2.gz DRSZFRXQJWNWCN-KZNAEPCWSA-N 2 1 364.534 1.332 20 30 FDEDMP C=CCC[C@@H](C)[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131361798 940558674 /nfs/dbraw/zinc/55/86/74/940558674.db2.gz DRSZFRXQJWNWCN-KZNAEPCWSA-N 2 1 364.534 1.332 20 30 FDEDMP C=CCC[C@@H](C)[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361798 940558675 /nfs/dbraw/zinc/55/86/75/940558675.db2.gz DRSZFRXQJWNWCN-KZNAEPCWSA-N 2 1 364.534 1.332 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001086720620 941625333 /nfs/dbraw/zinc/62/53/33/941625333.db2.gz GFKAFCJOAJQUJS-UHOSZYNNSA-N 2 1 370.497 1.562 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC)c2)C1 ZINC001086720620 941625334 /nfs/dbraw/zinc/62/53/34/941625334.db2.gz GFKAFCJOAJQUJS-UHOSZYNNSA-N 2 1 370.497 1.562 20 30 FDEDMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592104 971240331 /nfs/dbraw/zinc/24/03/31/971240331.db2.gz FHSOCDHFUCIXMD-QFBILLFUSA-N 2 1 373.501 1.747 20 30 FDEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592104 971240337 /nfs/dbraw/zinc/24/03/37/971240337.db2.gz FHSOCDHFUCIXMD-QFBILLFUSA-N 2 1 373.501 1.747 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592104 971240344 /nfs/dbraw/zinc/24/03/44/971240344.db2.gz FHSOCDHFUCIXMD-QFBILLFUSA-N 2 1 373.501 1.747 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592104 971240351 /nfs/dbraw/zinc/24/03/51/971240351.db2.gz FHSOCDHFUCIXMD-QFBILLFUSA-N 2 1 373.501 1.747 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091543147 951979334 /nfs/dbraw/zinc/97/93/34/951979334.db2.gz DEKBKMZCNWEVRH-SBHAEUEKSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091543147 951979338 /nfs/dbraw/zinc/97/93/38/951979338.db2.gz DEKBKMZCNWEVRH-SBHAEUEKSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C#N)C[C@@]2(C)C1 ZINC001091543147 951979343 /nfs/dbraw/zinc/97/93/43/951979343.db2.gz DEKBKMZCNWEVRH-SBHAEUEKSA-N 2 1 352.482 1.933 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087101066 953271955 /nfs/dbraw/zinc/27/19/55/953271955.db2.gz RPRDFKFXORQOFN-VAMGGRTRSA-N 2 1 370.497 1.463 20 30 FDEDMP COCC#CC[N@@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001197209814 972151875 /nfs/dbraw/zinc/15/18/75/972151875.db2.gz OQWMKRJLNSGDJO-RTWAWAEBSA-N 2 1 369.509 1.516 20 30 FDEDMP COCC#CC[N@H+]1CCCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)CC1 ZINC001197209814 972151879 /nfs/dbraw/zinc/15/18/79/972151879.db2.gz OQWMKRJLNSGDJO-RTWAWAEBSA-N 2 1 369.509 1.516 20 30 FDEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001197209814 972151881 /nfs/dbraw/zinc/15/18/81/972151881.db2.gz OQWMKRJLNSGDJO-RTWAWAEBSA-N 2 1 369.509 1.516 20 30 FDEDMP COCC#CC[NH+]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001197209814 972151885 /nfs/dbraw/zinc/15/18/85/972151885.db2.gz OQWMKRJLNSGDJO-RTWAWAEBSA-N 2 1 369.509 1.516 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ncccc2C)C[C@H]1C ZINC001092689596 956196093 /nfs/dbraw/zinc/19/60/93/956196093.db2.gz NQBOGXPCKVLHRM-GGPKGHCWSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ncccc2C)C[C@H]1C ZINC001092689596 956196095 /nfs/dbraw/zinc/19/60/95/956196095.db2.gz NQBOGXPCKVLHRM-GGPKGHCWSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncccc2C)C[C@H]1C ZINC001092689596 956196099 /nfs/dbraw/zinc/19/60/99/956196099.db2.gz NQBOGXPCKVLHRM-GGPKGHCWSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ncccc2C)C[C@H]1C ZINC001092689596 956196102 /nfs/dbraw/zinc/19/61/02/956196102.db2.gz NQBOGXPCKVLHRM-GGPKGHCWSA-N 2 1 354.498 1.672 20 30 FDEDMP C=CCN1C[C@H]2CC[C@@H](C1)[NH+]2C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093487416 958309931 /nfs/dbraw/zinc/30/99/31/958309931.db2.gz FQIXZEQTJDBTBU-RSPOEFSDSA-N 2 1 360.546 1.652 20 30 FDEDMP C=CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093487416 958309943 /nfs/dbraw/zinc/30/99/43/958309943.db2.gz FQIXZEQTJDBTBU-RSPOEFSDSA-N 2 1 360.546 1.652 20 30 FDEDMP C=CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093487416 958309960 /nfs/dbraw/zinc/30/99/60/958309960.db2.gz FQIXZEQTJDBTBU-RSPOEFSDSA-N 2 1 360.546 1.652 20 30 FDEDMP N#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001093487546 958310795 /nfs/dbraw/zinc/31/07/95/958310795.db2.gz HMPOVXCPIIQYJQ-XMTFNYHQSA-N 2 1 368.485 1.176 20 30 FDEDMP N#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001093487546 958310809 /nfs/dbraw/zinc/31/08/09/958310809.db2.gz HMPOVXCPIIQYJQ-XMTFNYHQSA-N 2 1 368.485 1.176 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001093672827 958514688 /nfs/dbraw/zinc/51/46/88/958514688.db2.gz FTKXSGSECYGSJQ-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149729 958993012 /nfs/dbraw/zinc/99/30/12/958993012.db2.gz XDOJMVJYYGZCCN-MHORFTMASA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149729 958993020 /nfs/dbraw/zinc/99/30/20/958993020.db2.gz XDOJMVJYYGZCCN-MHORFTMASA-N 2 1 362.518 1.275 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000775789306 972502750 /nfs/dbraw/zinc/50/27/50/972502750.db2.gz CPFNGVBGZJQPES-NHCUHLMSSA-N 2 1 369.509 1.800 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@H]1CCCO1 ZINC000775789306 972502755 /nfs/dbraw/zinc/50/27/55/972502755.db2.gz CPFNGVBGZJQPES-NHCUHLMSSA-N 2 1 369.509 1.800 20 30 FDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)CCC[C@@H]12 ZINC001094433093 960443211 /nfs/dbraw/zinc/44/32/11/960443211.db2.gz QDGNWPIXJPWUSI-QKNQBKEWSA-N 2 1 359.514 1.624 20 30 FDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)CCC[C@@H]12 ZINC001094433093 960443216 /nfs/dbraw/zinc/44/32/16/960443216.db2.gz QDGNWPIXJPWUSI-QKNQBKEWSA-N 2 1 359.514 1.624 20 30 FDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)CCC[C@@H]12 ZINC001094433093 960443229 /nfs/dbraw/zinc/44/32/29/960443229.db2.gz QDGNWPIXJPWUSI-QKNQBKEWSA-N 2 1 359.514 1.624 20 30 FDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474004 960642474 /nfs/dbraw/zinc/64/24/74/960642474.db2.gz FYVKKURYHNQALN-HSGZRYJKSA-N 2 1 357.498 1.234 20 30 FDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474004 960642484 /nfs/dbraw/zinc/64/24/84/960642484.db2.gz FYVKKURYHNQALN-HSGZRYJKSA-N 2 1 357.498 1.234 20 30 FDEDMP CC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474004 960642493 /nfs/dbraw/zinc/64/24/93/960642493.db2.gz FYVKKURYHNQALN-HSGZRYJKSA-N 2 1 357.498 1.234 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532081 960741229 /nfs/dbraw/zinc/74/12/29/960741229.db2.gz AYLVEBOIOAEHJZ-UYAOXDASSA-N 2 1 357.502 1.442 20 30 FDEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(CCC[NH3+])CC2)C[C@H]1C#N ZINC001172982508 961866150 /nfs/dbraw/zinc/86/61/50/961866150.db2.gz DBIHXCWGHCMJSZ-CVEARBPZSA-N 2 1 351.495 1.244 20 30 FDEDMP N#Cc1ccc(C(=O)N2CCC([NH2+]C3CC[NH+](CCO)CC3)CC2)cc1 ZINC001173426111 962135996 /nfs/dbraw/zinc/13/59/96/962135996.db2.gz OXZZFXRNUDUNMF-UHFFFAOYSA-N 2 1 356.470 1.209 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001189923148 967386199 /nfs/dbraw/zinc/38/61/99/967386199.db2.gz JRAWMUNGSLHZMA-ZWKOTPCHSA-N 2 1 362.518 1.062 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189923148 967386210 /nfs/dbraw/zinc/38/62/10/967386210.db2.gz JRAWMUNGSLHZMA-ZWKOTPCHSA-N 2 1 362.518 1.062 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001189923148 967386221 /nfs/dbraw/zinc/38/62/21/967386221.db2.gz JRAWMUNGSLHZMA-ZWKOTPCHSA-N 2 1 362.518 1.062 20 30 FDEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198776750 973511285 /nfs/dbraw/zinc/51/12/85/973511285.db2.gz UCDHDLIBFOZCNE-SZVBFZGTSA-N 2 1 361.486 1.737 20 30 FDEDMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198776750 973511288 /nfs/dbraw/zinc/51/12/88/973511288.db2.gz UCDHDLIBFOZCNE-SZVBFZGTSA-N 2 1 361.486 1.737 20 30 FDEDMP C[NH+]=C(NCc1ccco1)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000849044726 977292855 /nfs/dbraw/zinc/29/28/55/977292855.db2.gz DLSAXDHLCDSSTR-INIZCTEOSA-N 2 1 361.515 1.995 20 30 FDEDMP CC[N@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000883711608 982407731 /nfs/dbraw/zinc/40/77/31/982407731.db2.gz SPRRMWGHNSXCOY-LJQANCHMSA-N 2 1 355.486 1.916 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](C)C1 ZINC000884221218 982995340 /nfs/dbraw/zinc/99/53/40/982995340.db2.gz MNBFWYUTLXZFMJ-QUJXQBBWSA-N 2 1 362.518 1.379 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](C)C1 ZINC000884221216 982995465 /nfs/dbraw/zinc/99/54/65/982995465.db2.gz MNBFWYUTLXZFMJ-GEONRVCZSA-N 2 1 362.518 1.379 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000884354738 983110519 /nfs/dbraw/zinc/11/05/19/983110519.db2.gz YMUGSGKGLZCSAI-GOSISDBHSA-N 2 1 373.501 1.309 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000884354738 983110523 /nfs/dbraw/zinc/11/05/23/983110523.db2.gz YMUGSGKGLZCSAI-GOSISDBHSA-N 2 1 373.501 1.309 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC000884369430 983119759 /nfs/dbraw/zinc/11/97/59/983119759.db2.gz CSXFUTZSKGEKLI-AXALFOSHSA-N 2 1 364.493 1.859 20 30 FDEDMP C[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](Cc2ccccc2)C1 ZINC000884386860 983132004 /nfs/dbraw/zinc/13/20/04/983132004.db2.gz BKTUEHPZINVZFE-XTBIFASLSA-N 2 1 352.482 1.511 20 30 FDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)[C@H](Cc2ccccc2)C1 ZINC000884386860 983132009 /nfs/dbraw/zinc/13/20/09/983132009.db2.gz BKTUEHPZINVZFE-XTBIFASLSA-N 2 1 352.482 1.511 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)CC3(C#N)CCC3)CC2)CC1 ZINC000886065010 985856789 /nfs/dbraw/zinc/85/67/89/985856789.db2.gz NCUHYMOWTVJCCK-GOSISDBHSA-N 2 1 362.518 1.307 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc3c2CC[N@H+](CC)C3)CC1 ZINC000361286881 988327167 /nfs/dbraw/zinc/32/71/67/988327167.db2.gz GVCNKZCHVKKNLN-UHFFFAOYSA-N 2 1 370.497 1.770 20 30 FDEDMP Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000294837932 988550338 /nfs/dbraw/zinc/55/03/38/988550338.db2.gz ROAAQKZPTFXQMM-UHFFFAOYSA-N 2 1 356.430 1.275 20 30 FDEDMP COC(=O)[C@]1(C)CCC[N@@H+](CC#CC[NH+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412084927 992798444 /nfs/dbraw/zinc/79/84/44/992798444.db2.gz YZJZPZQNAFCFTA-BGYRXZFFSA-N 2 1 364.486 1.540 20 30 FDEDMP COC(=O)[C@]1(C)CCC[NH+](CC#CC[N@@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412084927 992798453 /nfs/dbraw/zinc/79/84/53/992798453.db2.gz YZJZPZQNAFCFTA-BGYRXZFFSA-N 2 1 364.486 1.540 20 30 FDEDMP COC(=O)[C@]1(C)CCC[NH+](CC#CC[N@H+]2CCC[C@](C)(C(=O)OC)C2)C1 ZINC000412084927 992798461 /nfs/dbraw/zinc/79/84/61/992798461.db2.gz YZJZPZQNAFCFTA-BGYRXZFFSA-N 2 1 364.486 1.540 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000876780788 992907302 /nfs/dbraw/zinc/90/73/02/992907302.db2.gz BRPCVTBMTMPCLG-INIZCTEOSA-N 2 1 354.857 1.534 20 30 FDEDMP N#Cc1cc(C[NH+]2CCC[C@@H](CO)C2)cc(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000877935491 993561511 /nfs/dbraw/zinc/56/15/11/993561511.db2.gz NWMYJOMABCJREC-QZTJIDSGSA-N 2 1 357.498 1.967 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000926491972 996175999 /nfs/dbraw/zinc/17/59/99/996175999.db2.gz ZDDRXQKPFGIQPJ-USTZCAOPSA-N 2 1 365.518 1.849 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000926491972 996176007 /nfs/dbraw/zinc/17/60/07/996176007.db2.gz ZDDRXQKPFGIQPJ-USTZCAOPSA-N 2 1 365.518 1.849 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264982591 997666979 /nfs/dbraw/zinc/66/69/79/997666979.db2.gz MDHUZUSEWKCOAY-HXUWFJFHSA-N 2 1 373.545 1.048 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000264985825 997668189 /nfs/dbraw/zinc/66/81/89/997668189.db2.gz NMYYBDYBGYQEHD-KRWDZBQOSA-N 2 1 363.506 1.222 20 30 FDEDMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])Nc3ccccn3)c2)C1 ZINC000267383772 999324483 /nfs/dbraw/zinc/32/44/83/999324483.db2.gz BFDAMPPBNAKALG-KRWDZBQOSA-N 2 1 366.469 1.706 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405522 999554450 /nfs/dbraw/zinc/55/44/50/999554450.db2.gz GNQZTYYPASNKFS-MSOLQXFVSA-N 2 1 357.502 1.424 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000286354440 999943961 /nfs/dbraw/zinc/94/39/61/999943961.db2.gz BPQMZNXMCPFTAX-KRWDZBQOSA-N 2 1 372.513 1.390 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979788 1002742001 /nfs/dbraw/zinc/74/20/01/1002742001.db2.gz DGAWQPHJCRDHKR-KURKYZTESA-N 2 1 356.470 1.740 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979788 1002742008 /nfs/dbraw/zinc/74/20/08/1002742008.db2.gz DGAWQPHJCRDHKR-KURKYZTESA-N 2 1 356.470 1.740 20 30 FDEDMP C#CC1(O)CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000931148069 1003924370 /nfs/dbraw/zinc/92/43/70/1003924370.db2.gz PVCSZANRSMCZOZ-IEBWSBKVSA-N 2 1 355.482 1.226 20 30 FDEDMP C#CC1(O)CC[NH+]([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000931148069 1003924379 /nfs/dbraw/zinc/92/43/79/1003924379.db2.gz PVCSZANRSMCZOZ-IEBWSBKVSA-N 2 1 355.482 1.226 20 30 FDEDMP C=CCN(CC(=O)OCC)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000686821983 1006537029 /nfs/dbraw/zinc/53/70/29/1006537029.db2.gz AJEMXHIQWNCPPV-UHFFFAOYSA-N 2 1 373.497 1.948 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001111308804 1008901303 /nfs/dbraw/zinc/90/13/03/1008901303.db2.gz XYNURSPELABSAP-VQHPVUNQSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001111308804 1008901315 /nfs/dbraw/zinc/90/13/15/1008901315.db2.gz XYNURSPELABSAP-VQHPVUNQSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111308804 1008901318 /nfs/dbraw/zinc/90/13/18/1008901318.db2.gz XYNURSPELABSAP-VQHPVUNQSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001111308804 1008901320 /nfs/dbraw/zinc/90/13/20/1008901320.db2.gz XYNURSPELABSAP-VQHPVUNQSA-N 2 1 350.507 1.131 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC001111323671 1009615167 /nfs/dbraw/zinc/61/51/67/1009615167.db2.gz PEXKDSQKNWZSHP-CRAIPNDOSA-N 2 1 370.501 1.286 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528388991 539755071 /nfs/dbraw/zinc/75/50/71/539755071.db2.gz KJSAFZCUMUAXSL-VQTJNVASSA-N 2 1 372.513 1.398 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000553329863 543610744 /nfs/dbraw/zinc/61/07/44/543610744.db2.gz RVVMYVFHYFZLKF-APWZRJJASA-N 2 1 374.529 1.228 20 30 FDEDMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333805153 259383907 /nfs/dbraw/zinc/38/39/07/259383907.db2.gz IKMDOWOTUPTIAN-LPHOPBHVSA-N 2 1 355.486 1.916 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000074877138 522849753 /nfs/dbraw/zinc/84/97/53/522849753.db2.gz PWGLLWSZULHBKO-UHFFFAOYSA-N 2 1 352.523 1.779 20 30 FDEDMP C[N@H+]1CCCN(CCNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000083032611 524234879 /nfs/dbraw/zinc/23/48/79/524234879.db2.gz LGILGYUXBRUHTO-UHFFFAOYSA-N 2 1 373.423 1.627 20 30 FDEDMP C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158555565 524489195 /nfs/dbraw/zinc/48/91/95/524489195.db2.gz YGETUAYZGHXTHA-WBVHZDCISA-N 2 1 357.502 1.469 20 30 FDEDMP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1nc(-c2ccccc2)no1 ZINC000089595505 524513067 /nfs/dbraw/zinc/51/30/67/524513067.db2.gz AORDCHGXWFPBMC-OAHLLOKOSA-N 2 1 372.473 1.467 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000124663323 525045536 /nfs/dbraw/zinc/04/55/36/525045536.db2.gz XAQOLZXFRUWWBU-SFHVURJKSA-N 2 1 371.485 1.371 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(OC)c1OC ZINC000104165320 525398776 /nfs/dbraw/zinc/39/87/76/525398776.db2.gz YCQWOPSMUODOTA-CQSZACIVSA-N 2 1 350.463 1.601 20 30 FDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000119294329 525695618 /nfs/dbraw/zinc/69/56/18/525695618.db2.gz GRUPZQFLJWOWPR-IBGZPJMESA-N 2 1 360.502 1.062 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(F)cc1Br ZINC000170908787 525764788 /nfs/dbraw/zinc/76/47/88/525764788.db2.gz JQCZBQKRKBPYSO-UHFFFAOYSA-N 2 1 373.270 1.715 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000132015765 525928537 /nfs/dbraw/zinc/92/85/37/525928537.db2.gz KKBAENYKHURNQE-LJQANCHMSA-N 2 1 358.486 1.581 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000132015765 525928543 /nfs/dbraw/zinc/92/85/43/525928543.db2.gz KKBAENYKHURNQE-LJQANCHMSA-N 2 1 358.486 1.581 20 30 FDEDMP Cn1cc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c2ccc(F)cc21 ZINC000184653659 536173618 /nfs/dbraw/zinc/17/36/18/536173618.db2.gz PJOVWEMKSBOLMT-UHFFFAOYSA-N 2 1 361.465 1.487 20 30 FDEDMP C[N@H+]1CCCN(CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266996203 536945690 /nfs/dbraw/zinc/94/56/90/536945690.db2.gz XWEDAGLLXXDRKL-UHFFFAOYSA-N 2 1 357.424 1.747 20 30 FDEDMP COc1cc(C#N)ccc1OCC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371260014 537791223 /nfs/dbraw/zinc/79/12/23/537791223.db2.gz XBSIFSIHUGVERX-LJQANCHMSA-N 2 1 372.513 1.905 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000375902368 537795989 /nfs/dbraw/zinc/79/59/89/537795989.db2.gz FILJUNQWYCGZRY-HXUWFJFHSA-N 2 1 369.513 1.275 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NCc3cccc(C#N)c3)C2)CC1 ZINC000375902368 537795994 /nfs/dbraw/zinc/79/59/94/537795994.db2.gz FILJUNQWYCGZRY-HXUWFJFHSA-N 2 1 369.513 1.275 20 30 FDEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000571044234 549504496 /nfs/dbraw/zinc/50/44/96/549504496.db2.gz OIHVFTZPHIEUAT-QGZVFWFLSA-N 2 1 363.893 1.599 20 30 FDEDMP CN(C)c1cc(C#N)cc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000590242025 551766792 /nfs/dbraw/zinc/76/67/92/551766792.db2.gz KKRHEIXOAPYDGP-IBGZPJMESA-N 2 1 369.513 1.865 20 30 FDEDMP CN(C(=O)c1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000592167999 551952517 /nfs/dbraw/zinc/95/25/17/551952517.db2.gz SAGKFZYHGCTTGJ-QZTJIDSGSA-N 2 1 371.485 1.812 20 30 FDEDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1ccc(CC#N)cc1)CCO2 ZINC000592182187 551954620 /nfs/dbraw/zinc/95/46/20/551954620.db2.gz LGRSNMYBFZLZBP-SFHVURJKSA-N 2 1 359.470 1.289 20 30 FDEDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)CCO2 ZINC000592182187 551954622 /nfs/dbraw/zinc/95/46/22/551954622.db2.gz LGRSNMYBFZLZBP-SFHVURJKSA-N 2 1 359.470 1.289 20 30 FDEDMP Cc1cc(N2CCC([NH2+]Cc3cnc4c(C#N)cnn4c3)CC2)nc(C)[nH+]1 ZINC000592508363 552003745 /nfs/dbraw/zinc/00/37/45/552003745.db2.gz VJCKBBJPGAQXMU-UHFFFAOYSA-N 2 1 362.441 1.766 20 30 FDEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc2)CC1 ZINC000598699251 552926374 /nfs/dbraw/zinc/92/63/74/552926374.db2.gz DOFHJUJUTPASKP-GOSISDBHSA-N 2 1 358.486 1.465 20 30 FDEDMP CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000598720636 552927958 /nfs/dbraw/zinc/92/79/58/552927958.db2.gz QHRGPJPSWFYUOT-RBUKOAKNSA-N 2 1 372.513 1.774 20 30 FDEDMP CCC1([NH+]2CCOCC2)CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000599663032 553116269 /nfs/dbraw/zinc/11/62/69/553116269.db2.gz ABHBQCOXAQDFOJ-IBGZPJMESA-N 2 1 373.497 1.875 20 30 FDEDMP C[NH+](C)CCCS(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000601455699 553410607 /nfs/dbraw/zinc/41/06/07/553410607.db2.gz MYFCDYNIDDTOKE-UHFFFAOYSA-N 2 1 364.515 1.394 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245513428 672448367 /nfs/dbraw/zinc/44/83/67/672448367.db2.gz AJGSTNWDRHRHNU-RTBURBONSA-N 2 1 350.551 1.901 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245513428 672448371 /nfs/dbraw/zinc/44/83/71/672448371.db2.gz AJGSTNWDRHRHNU-RTBURBONSA-N 2 1 350.551 1.901 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245513428 672448374 /nfs/dbraw/zinc/44/83/74/672448374.db2.gz AJGSTNWDRHRHNU-RTBURBONSA-N 2 1 350.551 1.901 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(c2cccs2)CC1 ZINC000261969876 672704784 /nfs/dbraw/zinc/70/47/84/672704784.db2.gz MNFMGNQONYNBHF-QGZVFWFLSA-N 2 1 367.588 1.883 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262364491 672776928 /nfs/dbraw/zinc/77/69/28/672776928.db2.gz HKBRLEPCJJZEMG-MDZRGWNJSA-N 2 1 352.523 1.420 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)ccc1OC ZINC000264083949 672900737 /nfs/dbraw/zinc/90/07/37/672900737.db2.gz IHQKOPGYIGUTEH-XJKSGUPXSA-N 2 1 350.463 1.126 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCCCC1 ZINC000303783084 676542981 /nfs/dbraw/zinc/54/29/81/676542981.db2.gz NWEKLCLDWZQHAW-QGZVFWFLSA-N 2 1 351.539 1.410 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(F)cc(Br)c1 ZINC000303863607 676543248 /nfs/dbraw/zinc/54/32/48/676543248.db2.gz AGZPWXCTUNJOLU-UHFFFAOYSA-N 2 1 373.270 1.715 20 30 FDEDMP CC[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccccc1F ZINC000304747807 676544258 /nfs/dbraw/zinc/54/42/58/676544258.db2.gz VXIWECUGMUXLOB-HNNXBMFYSA-N 2 1 352.454 1.610 20 30 FDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000329215116 676625789 /nfs/dbraw/zinc/62/57/89/676625789.db2.gz MEHQTTKKSNOILP-NPYXIHBLSA-N 2 1 350.507 1.901 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369388120 677505385 /nfs/dbraw/zinc/50/53/85/677505385.db2.gz FCKSCZGFLZYORO-RTBURBONSA-N 2 1 350.551 1.900 20 30 FDEDMP COc1ccc(C[NH+]2CC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000969703299 770701062 /nfs/dbraw/zinc/70/10/62/770701062.db2.gz GNASNSZHPSUAOW-QMTMVMCOSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C[NH+]2CC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000969703299 770701067 /nfs/dbraw/zinc/70/10/67/770701067.db2.gz GNASNSZHPSUAOW-QMTMVMCOSA-N 2 1 370.497 1.844 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235365 781324038 /nfs/dbraw/zinc/32/40/38/781324038.db2.gz ZOWNSYBAHZKJRK-RBUKOAKNSA-N 2 1 367.453 1.759 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@H]2C1 ZINC001083235365 781324044 /nfs/dbraw/zinc/32/40/44/781324044.db2.gz ZOWNSYBAHZKJRK-RBUKOAKNSA-N 2 1 367.453 1.759 20 30 FDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])Nc2cc(OC)ccc2OC)CC1 ZINC000104170020 781543113 /nfs/dbraw/zinc/54/31/13/781543113.db2.gz LXCHGYHFJHKYQH-UHFFFAOYSA-N 2 1 363.506 1.848 20 30 FDEDMP C=CC[C@]1(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754718 803063519 /nfs/dbraw/zinc/06/35/19/803063519.db2.gz UOGBMNYIGOVILM-VQIMIIECSA-N 2 1 362.543 1.851 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCC[NH+](Cc3ccc(OCC#N)cc3)CC2)CC[N@H+]1C ZINC000981194166 807697730 /nfs/dbraw/zinc/69/77/30/807697730.db2.gz MEZSUROZCLJQMP-YLJYHZDGSA-N 2 1 370.497 1.963 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCC[N@H+](Cc3ccc(OCC#N)cc3)CC2)CC[NH+]1C ZINC000981194166 807697736 /nfs/dbraw/zinc/69/77/36/807697736.db2.gz MEZSUROZCLJQMP-YLJYHZDGSA-N 2 1 370.497 1.963 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCC[N@@H+](Cc3ccc(OCC#N)cc3)CC2)CC[NH+]1C ZINC000981194166 807697745 /nfs/dbraw/zinc/69/77/45/807697745.db2.gz MEZSUROZCLJQMP-YLJYHZDGSA-N 2 1 370.497 1.963 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261856753 811332483 /nfs/dbraw/zinc/33/24/83/811332483.db2.gz XYHLAMUJLDGTBL-ROUUACIJSA-N 2 1 372.513 1.782 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262509864 811480419 /nfs/dbraw/zinc/48/04/19/811480419.db2.gz AYAPOFGUCYYQCS-MRXNPFEDSA-N 2 1 373.501 1.487 20 30 FDEDMP CCN1CCC([N@@H+]2CCCN(C(=O)COc3ccccc3C#N)CC2)CC1 ZINC000515346148 816213929 /nfs/dbraw/zinc/21/39/29/816213929.db2.gz NQVATQBTKJXMOI-UHFFFAOYSA-N 2 1 370.497 1.956 20 30 FDEDMP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)nc2)C1 ZINC000328933809 819583185 /nfs/dbraw/zinc/58/31/85/819583185.db2.gz IRVMHKMDUJNCKK-DLBZAZTESA-N 2 1 358.490 1.200 20 30 FDEDMP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000331317390 819675525 /nfs/dbraw/zinc/67/55/25/819675525.db2.gz JNUSMMXHZQVCLJ-RDJZCZTQSA-N 2 1 367.538 1.115 20 30 FDEDMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000331317390 819675531 /nfs/dbraw/zinc/67/55/31/819675531.db2.gz JNUSMMXHZQVCLJ-RDJZCZTQSA-N 2 1 367.538 1.115 20 30 FDEDMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000266898682 820442146 /nfs/dbraw/zinc/44/21/46/820442146.db2.gz FVAHUYRTZJZNLT-IBGZPJMESA-N 2 1 355.486 1.233 20 30 FDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000522305336 822379164 /nfs/dbraw/zinc/37/91/64/822379164.db2.gz GDEIYMBHIKKOJQ-GOSISDBHSA-N 2 1 355.486 1.868 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC001087836932 822547128 /nfs/dbraw/zinc/54/71/28/822547128.db2.gz NFUJDOPYWAIKII-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC001087836932 822547131 /nfs/dbraw/zinc/54/71/31/822547131.db2.gz NFUJDOPYWAIKII-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087836932 822547135 /nfs/dbraw/zinc/54/71/35/822547135.db2.gz NFUJDOPYWAIKII-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1ccc(C#N)cc1 ZINC001087836932 822547139 /nfs/dbraw/zinc/54/71/39/822547139.db2.gz NFUJDOPYWAIKII-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CCOCC3)[C@@H]2CC)CC1 ZINC001087840047 822558752 /nfs/dbraw/zinc/55/87/52/822558752.db2.gz DYQONQBJUNRNSF-VQTJNVASSA-N 2 1 361.530 1.727 20 30 FDEDMP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000329535428 824861883 /nfs/dbraw/zinc/86/18/83/824861883.db2.gz ZHOWRHGLVVHFNV-FUHWJXTLSA-N 2 1 362.522 1.743 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992135 824952549 /nfs/dbraw/zinc/95/25/49/824952549.db2.gz FOLAPTNCRIKPFD-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992135 824952550 /nfs/dbraw/zinc/95/25/50/824952550.db2.gz FOLAPTNCRIKPFD-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992135 824952556 /nfs/dbraw/zinc/95/25/56/824952556.db2.gz FOLAPTNCRIKPFD-HBFSDRIKSA-N 2 1 359.514 1.433 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994179 825003786 /nfs/dbraw/zinc/00/37/86/825003786.db2.gz VHGIXMNQFWDWNZ-QYZOEREBSA-N 2 1 359.518 1.560 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]2C1 ZINC001087994179 825003789 /nfs/dbraw/zinc/00/37/89/825003789.db2.gz VHGIXMNQFWDWNZ-QYZOEREBSA-N 2 1 359.518 1.560 20 30 FDEDMP O=C(C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329677644 825284946 /nfs/dbraw/zinc/28/49/46/825284946.db2.gz WRIHMIJTWIYVQW-BZSNNMDCSA-N 2 1 365.518 1.681 20 30 FDEDMP O=C(C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329677644 825284954 /nfs/dbraw/zinc/28/49/54/825284954.db2.gz WRIHMIJTWIYVQW-BZSNNMDCSA-N 2 1 365.518 1.681 20 30 FDEDMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCc2nccn2C1 ZINC000329961694 825568018 /nfs/dbraw/zinc/56/80/18/825568018.db2.gz RSXYSWBNNFXYSO-HZPDHXFCSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCc2nccn2C1 ZINC000329961694 825568024 /nfs/dbraw/zinc/56/80/24/825568024.db2.gz RSXYSWBNNFXYSO-HZPDHXFCSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329961694 825568029 /nfs/dbraw/zinc/56/80/29/825568029.db2.gz RSXYSWBNNFXYSO-HZPDHXFCSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000329961694 825568040 /nfs/dbraw/zinc/56/80/40/825568040.db2.gz RSXYSWBNNFXYSO-HZPDHXFCSA-N 2 1 361.490 1.545 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047037 825590206 /nfs/dbraw/zinc/59/02/06/825590206.db2.gz BVTDGJITLJKPLC-ASLPWWTFSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047037 825590213 /nfs/dbraw/zinc/59/02/13/825590213.db2.gz BVTDGJITLJKPLC-ASLPWWTFSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047037 825590222 /nfs/dbraw/zinc/59/02/22/825590222.db2.gz BVTDGJITLJKPLC-ASLPWWTFSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047037 825590237 /nfs/dbraw/zinc/59/02/37/825590237.db2.gz BVTDGJITLJKPLC-ASLPWWTFSA-N 2 1 365.905 1.382 20 30 FDEDMP COCC[NH+]1CCC(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)CC1 ZINC000330292481 825816396 /nfs/dbraw/zinc/81/63/96/825816396.db2.gz HGQNPRUYZUGTJA-UHFFFAOYSA-N 2 1 360.462 1.638 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)c1 ZINC001088201236 827443379 /nfs/dbraw/zinc/44/33/79/827443379.db2.gz RNPBJTUHVUYKQV-UXHICEINSA-N 2 1 352.482 1.934 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccnn4C)CC[C@@H]3C2)CC1 ZINC001088211972 827492733 /nfs/dbraw/zinc/49/27/33/827492733.db2.gz INODFGAULOBEQN-MOPGFXCFSA-N 2 1 369.513 1.046 20 30 FDEDMP CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000246003847 835790883 /nfs/dbraw/zinc/79/08/83/835790883.db2.gz JNRCOJYFDHAJMI-OTWHNJEPSA-N 2 1 361.534 1.095 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000264133416 838333643 /nfs/dbraw/zinc/33/36/43/838333643.db2.gz YUCIXJSTFBSLNN-WOJBJXKFSA-N 3 1 357.546 1.940 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264133416 838333652 /nfs/dbraw/zinc/33/36/52/838333652.db2.gz YUCIXJSTFBSLNN-WOJBJXKFSA-N 3 1 357.546 1.940 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264133416 838333660 /nfs/dbraw/zinc/33/36/60/838333660.db2.gz YUCIXJSTFBSLNN-WOJBJXKFSA-N 3 1 357.546 1.940 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105670136 844360038 /nfs/dbraw/zinc/36/00/38/844360038.db2.gz YAZGDFNWOVEQSN-JYBIWHBTSA-N 2 1 351.535 1.870 20 30 FDEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21)[NH+](C)C ZINC001075940413 840054524 /nfs/dbraw/zinc/05/45/24/840054524.db2.gz OABKHNVVSHWXMU-DFQSSKMNSA-N 2 1 370.497 1.962 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637327 842271102 /nfs/dbraw/zinc/27/11/02/842271102.db2.gz NFCXOZYDIDFKNA-RMVXJAJNSA-N 2 1 361.530 1.460 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642101 842303424 /nfs/dbraw/zinc/30/34/24/842303424.db2.gz HQNHDZKINYJOFP-NEYJZJCJSA-N 2 1 363.546 1.706 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)[C@H]2C)C1=O ZINC001088748846 842865203 /nfs/dbraw/zinc/86/52/03/842865203.db2.gz ZAGWECVJPVGOGF-JLSDUUJJSA-N 2 1 367.453 1.314 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668098 843755096 /nfs/dbraw/zinc/75/50/96/843755096.db2.gz HLIKSZJSAJMYJZ-UKAVVXHISA-N 2 1 363.546 1.708 20 30 FDEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1 ZINC001076206156 847558915 /nfs/dbraw/zinc/55/89/15/847558915.db2.gz BIMMYAZLBNTZPR-VQTJNVASSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569500 848467542 /nfs/dbraw/zinc/46/75/42/848467542.db2.gz YWQXDXANVSFWDH-NLWGTHIKSA-N 2 1 368.481 1.573 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569500 848467545 /nfs/dbraw/zinc/46/75/45/848467545.db2.gz YWQXDXANVSFWDH-NLWGTHIKSA-N 2 1 368.481 1.573 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001076569500 848467548 /nfs/dbraw/zinc/46/75/48/848467548.db2.gz YWQXDXANVSFWDH-NLWGTHIKSA-N 2 1 368.481 1.573 20 30 FDEDMP C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903772298 850610744 /nfs/dbraw/zinc/61/07/44/850610744.db2.gz ZPIULBUGPONJAU-YTQUADARSA-N 2 1 374.529 1.228 20 30 FDEDMP C=CC[C@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)C1 ZINC000903772298 850610752 /nfs/dbraw/zinc/61/07/52/850610752.db2.gz ZPIULBUGPONJAU-YTQUADARSA-N 2 1 374.529 1.228 20 30 FDEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083593056 852221857 /nfs/dbraw/zinc/22/18/57/852221857.db2.gz CAKYHVPNDVVBRC-AABGKKOBSA-N 2 1 370.497 1.340 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001088983328 865911383 /nfs/dbraw/zinc/91/13/83/865911383.db2.gz RETNQKQYVAXELV-APWZRJJASA-N 2 1 368.481 1.764 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC001089041160 866241660 /nfs/dbraw/zinc/24/16/60/866241660.db2.gz GIWIZBAOWUOTGW-BEFAXECRSA-N 2 1 367.453 1.873 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC001089041160 866241672 /nfs/dbraw/zinc/24/16/72/866241672.db2.gz GIWIZBAOWUOTGW-BEFAXECRSA-N 2 1 367.453 1.873 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3oc(C)nc3C)[C@@H]2C)CC1 ZINC001089059578 866385647 /nfs/dbraw/zinc/38/56/47/866385647.db2.gz RJGNESJOBYTHMI-QAPCUYQASA-N 2 1 358.486 1.716 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497492 872571133 /nfs/dbraw/zinc/57/11/33/872571133.db2.gz OQXPREUNMTWYGT-KZNAEPCWSA-N 2 1 353.507 1.125 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497492 872571137 /nfs/dbraw/zinc/57/11/37/872571137.db2.gz OQXPREUNMTWYGT-KZNAEPCWSA-N 2 1 353.507 1.125 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497492 872571145 /nfs/dbraw/zinc/57/11/45/872571145.db2.gz OQXPREUNMTWYGT-KZNAEPCWSA-N 2 1 353.507 1.125 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497492 872571154 /nfs/dbraw/zinc/57/11/54/872571154.db2.gz OQXPREUNMTWYGT-KZNAEPCWSA-N 2 1 353.507 1.125 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000922627224 878845644 /nfs/dbraw/zinc/84/56/44/878845644.db2.gz KJJUSGKIDXLCFT-QGZVFWFLSA-N 2 1 350.507 1.226 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030344 885349730 /nfs/dbraw/zinc/34/97/30/885349730.db2.gz WHNGDUTYWFCBKU-ZACQAIPSSA-N 2 1 366.485 1.266 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129128427 885826340 /nfs/dbraw/zinc/82/63/40/885826340.db2.gz WUWXGDNCJLVCGC-SJORKVTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129128427 885826350 /nfs/dbraw/zinc/82/63/50/885826350.db2.gz WUWXGDNCJLVCGC-SJORKVTESA-N 2 1 360.506 1.460 20 30 FDEDMP C#CCN(C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000921493627 888039533 /nfs/dbraw/zinc/03/95/33/888039533.db2.gz SHWVKQYBLOIRPN-RBUKOAKNSA-N 2 1 362.518 1.369 20 30 FDEDMP [NH2+]=C(NCCc1ccccc1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000180454141 889448768 /nfs/dbraw/zinc/44/87/68/889448768.db2.gz YPPFEHPEJZIFIQ-FQEVSTJZSA-N 2 1 352.482 1.900 20 30 FDEDMP C#CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000995268230 897656489 /nfs/dbraw/zinc/65/64/89/897656489.db2.gz RYZPQXNBMLNPEX-MISYRCLQSA-N 2 1 370.497 1.084 20 30 FDEDMP C#CC[NH+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000995268230 897656495 /nfs/dbraw/zinc/65/64/95/897656495.db2.gz RYZPQXNBMLNPEX-MISYRCLQSA-N 2 1 370.497 1.084 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000995268230 897656521 /nfs/dbraw/zinc/65/65/21/897656521.db2.gz RYZPQXNBMLNPEX-MISYRCLQSA-N 2 1 370.497 1.084 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC000995268230 897656527 /nfs/dbraw/zinc/65/65/27/897656527.db2.gz RYZPQXNBMLNPEX-MISYRCLQSA-N 2 1 370.497 1.084 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC4(CCC4)C3)C[C@H]2O)CC1 ZINC001078227142 898429227 /nfs/dbraw/zinc/42/92/27/898429227.db2.gz KZOTUWGADNUWCI-RTBURBONSA-N 2 1 359.514 1.073 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3CC)C[C@H]2O)CC1 ZINC001078228225 898433784 /nfs/dbraw/zinc/43/37/84/898433784.db2.gz ICLLOSSNROGQGW-NHCUHLMSSA-N 2 1 369.509 1.256 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3c(C)cccc3C)C[C@H]2O)CC1 ZINC001078228297 898433975 /nfs/dbraw/zinc/43/39/75/898433975.db2.gz LEUROFNXCMCYKL-NHCUHLMSSA-N 2 1 369.509 1.310 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079258164 902291197 /nfs/dbraw/zinc/29/11/97/902291197.db2.gz QIRRUZPGHFPNKL-CADBVGFASA-N 2 1 359.514 1.289 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001079726493 903145948 /nfs/dbraw/zinc/14/59/48/903145948.db2.gz YREHPPLJQRHGEW-OHDICMOHSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001079726493 903145950 /nfs/dbraw/zinc/14/59/50/903145950.db2.gz YREHPPLJQRHGEW-OHDICMOHSA-N 2 1 370.497 1.844 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001079726493 903145954 /nfs/dbraw/zinc/14/59/54/903145954.db2.gz YREHPPLJQRHGEW-OHDICMOHSA-N 2 1 370.497 1.844 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080324937 905154337 /nfs/dbraw/zinc/15/43/37/905154337.db2.gz KCXFMSXPAYYVTE-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080324937 905154339 /nfs/dbraw/zinc/15/43/39/905154339.db2.gz KCXFMSXPAYYVTE-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080324937 905154341 /nfs/dbraw/zinc/15/43/41/905154341.db2.gz KCXFMSXPAYYVTE-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080324937 905154342 /nfs/dbraw/zinc/15/43/42/905154342.db2.gz KCXFMSXPAYYVTE-AHRSYUTCSA-N 2 1 370.497 1.604 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCN(c2ncccn2)CC1 ZINC000073446228 909728730 /nfs/dbraw/zinc/72/87/30/909728730.db2.gz GVKGYWKRMGQPPM-SFHVURJKSA-N 2 1 373.549 1.685 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001084777779 917052675 /nfs/dbraw/zinc/05/26/75/917052675.db2.gz PKRHMIOXZJJULX-RTBURBONSA-N 2 1 350.466 1.687 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001084830244 917507454 /nfs/dbraw/zinc/50/74/54/917507454.db2.gz PLLSWUIRPPHWLA-JTDSTZFVSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001084830244 917507459 /nfs/dbraw/zinc/50/74/59/917507459.db2.gz PLLSWUIRPPHWLA-JTDSTZFVSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001084830244 917507462 /nfs/dbraw/zinc/50/74/62/917507462.db2.gz PLLSWUIRPPHWLA-JTDSTZFVSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001084830244 917507467 /nfs/dbraw/zinc/50/74/67/917507467.db2.gz PLLSWUIRPPHWLA-JTDSTZFVSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001084830484 917509720 /nfs/dbraw/zinc/50/97/20/917509720.db2.gz XBDRZJHWUAIBPQ-QWFCFKBJSA-N 2 1 368.481 1.573 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001084830484 917509725 /nfs/dbraw/zinc/50/97/25/917509725.db2.gz XBDRZJHWUAIBPQ-QWFCFKBJSA-N 2 1 368.481 1.573 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001084830484 917509728 /nfs/dbraw/zinc/50/97/28/917509728.db2.gz XBDRZJHWUAIBPQ-QWFCFKBJSA-N 2 1 368.481 1.573 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993248 919368646 /nfs/dbraw/zinc/36/86/46/919368646.db2.gz UZDFRJLWIAYWEG-ASLPWWTFSA-N 2 1 365.905 1.525 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993248 919368653 /nfs/dbraw/zinc/36/86/53/919368653.db2.gz UZDFRJLWIAYWEG-ASLPWWTFSA-N 2 1 365.905 1.525 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993248 919368666 /nfs/dbraw/zinc/36/86/66/919368666.db2.gz UZDFRJLWIAYWEG-ASLPWWTFSA-N 2 1 365.905 1.525 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]21 ZINC001084993248 919368677 /nfs/dbraw/zinc/36/86/77/919368677.db2.gz UZDFRJLWIAYWEG-ASLPWWTFSA-N 2 1 365.905 1.525 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cc(C)no4)[C@H]3C2)CC1 ZINC001085100504 920913968 /nfs/dbraw/zinc/91/39/68/920913968.db2.gz HUNKINMFTIVHCX-XLIONFOSSA-N 2 1 370.497 1.751 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC)c1 ZINC001085229968 922983402 /nfs/dbraw/zinc/98/34/02/922983402.db2.gz UAQAFCWKWBMZEL-QRVBRYPASA-N 2 1 370.497 1.705 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(OC)c1 ZINC001085229968 922983412 /nfs/dbraw/zinc/98/34/12/922983412.db2.gz UAQAFCWKWBMZEL-QRVBRYPASA-N 2 1 370.497 1.705 20 30 FDEDMP C[NH+](C)CC1(O)CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000826779162 924325291 /nfs/dbraw/zinc/32/52/91/924325291.db2.gz DKSRBPDGRKDXMI-GOSISDBHSA-N 2 1 356.470 1.442 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000740736056 925419753 /nfs/dbraw/zinc/41/97/53/925419753.db2.gz BQIFXUALPSCJJG-UHFFFAOYSA-N 2 1 368.525 1.408 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001086600380 934082335 /nfs/dbraw/zinc/08/23/35/934082335.db2.gz PUFJILDCLVLHCB-LZWWZHRGSA-N 2 1 367.493 1.620 20 30 FDEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086600380 934082349 /nfs/dbraw/zinc/08/23/49/934082349.db2.gz PUFJILDCLVLHCB-LZWWZHRGSA-N 2 1 367.493 1.620 20 30 FDEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086600380 934082362 /nfs/dbraw/zinc/08/23/62/934082362.db2.gz PUFJILDCLVLHCB-LZWWZHRGSA-N 2 1 367.493 1.620 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407680 938405435 /nfs/dbraw/zinc/40/54/35/938405435.db2.gz SRWLTJKBOVILTP-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407680 938405436 /nfs/dbraw/zinc/40/54/36/938405436.db2.gz SRWLTJKBOVILTP-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407680 938405438 /nfs/dbraw/zinc/40/54/38/938405438.db2.gz SRWLTJKBOVILTP-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001129459932 938435847 /nfs/dbraw/zinc/43/58/47/938435847.db2.gz CIBVLKYWYGAZTN-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001129459932 938435849 /nfs/dbraw/zinc/43/58/49/938435849.db2.gz CIBVLKYWYGAZTN-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001129459932 938435851 /nfs/dbraw/zinc/43/58/51/938435851.db2.gz CIBVLKYWYGAZTN-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892374 938543316 /nfs/dbraw/zinc/54/33/16/938543316.db2.gz ULVXGUFYQDAZLW-QYZOEREBSA-N 2 1 370.501 1.050 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130626332 939924123 /nfs/dbraw/zinc/92/41/23/939924123.db2.gz JEOZUTLMPVHFKC-VDZJLULYSA-N 2 1 370.501 1.864 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130672284 939971191 /nfs/dbraw/zinc/97/11/91/939971191.db2.gz KTHREOHLWMQKGO-FUHWJXTLSA-N 2 1 359.518 1.305 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)[N@H+](C)CC)n2)O1 ZINC001130790346 940164825 /nfs/dbraw/zinc/16/48/25/940164825.db2.gz VLUKVPFAXMXPHS-UONOGXRCSA-N 2 1 364.494 1.147 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)[N@@H+](C)CC)n[nH]2)O1 ZINC001130790346 940164829 /nfs/dbraw/zinc/16/48/29/940164829.db2.gz VLUKVPFAXMXPHS-UONOGXRCSA-N 2 1 364.494 1.147 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)[N@H+](C)CC)n[nH]2)O1 ZINC001130790346 940164836 /nfs/dbraw/zinc/16/48/36/940164836.db2.gz VLUKVPFAXMXPHS-UONOGXRCSA-N 2 1 364.494 1.147 20 30 FDEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@H+](C)CC)n2)O1 ZINC001130813786 940213092 /nfs/dbraw/zinc/21/30/92/940213092.db2.gz XMLBDVVVXFLCAW-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@@H+](C)CC)n[nH]2)O1 ZINC001130813786 940213102 /nfs/dbraw/zinc/21/31/02/940213102.db2.gz XMLBDVVVXFLCAW-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@H+](C)CC)n[nH]2)O1 ZINC001130813786 940213109 /nfs/dbraw/zinc/21/31/09/940213109.db2.gz XMLBDVVVXFLCAW-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cncn1C ZINC001131074173 940490428 /nfs/dbraw/zinc/49/04/28/940490428.db2.gz XHRIVXVZAMOVOL-IAGOWNOFSA-N 2 1 359.518 1.305 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108271 940502623 /nfs/dbraw/zinc/50/26/23/940502623.db2.gz OKRFXRNOHUNVAF-KZNAEPCWSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCC)CC1 ZINC001131515298 940679899 /nfs/dbraw/zinc/67/98/99/940679899.db2.gz CCOXCWXBDORREZ-AABGKKOBSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCC)CC1 ZINC001131515298 940679905 /nfs/dbraw/zinc/67/99/05/940679905.db2.gz CCOXCWXBDORREZ-AABGKKOBSA-N 2 1 361.530 1.870 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001131552422 940728687 /nfs/dbraw/zinc/72/86/87/940728687.db2.gz OSJPFTVUYGCPFQ-FFGOWVMKSA-N 2 1 361.530 1.726 20 30 FDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000818970068 943386494 /nfs/dbraw/zinc/38/64/94/943386494.db2.gz LIPHALGPBXAUFW-GOSISDBHSA-N 2 1 363.421 1.977 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccc(OC)cc1 ZINC001090885514 947661395 /nfs/dbraw/zinc/66/13/95/947661395.db2.gz SVIUOZNCJBXJIK-RBUKOAKNSA-N 2 1 352.438 1.418 20 30 FDEDMP C=CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091401249 951576416 /nfs/dbraw/zinc/57/64/16/951576416.db2.gz WXAWCWAJWPJJHH-ATZDWAIDSA-N 2 1 358.486 1.677 20 30 FDEDMP C=CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401249 951576421 /nfs/dbraw/zinc/57/64/21/951576421.db2.gz WXAWCWAJWPJJHH-ATZDWAIDSA-N 2 1 358.486 1.677 20 30 FDEDMP C=CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401249 951576430 /nfs/dbraw/zinc/57/64/30/951576430.db2.gz WXAWCWAJWPJJHH-ATZDWAIDSA-N 2 1 358.486 1.677 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091530716 951938993 /nfs/dbraw/zinc/93/89/93/951938993.db2.gz FUUCANDZXFOFHN-SBHAEUEKSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091530716 951938996 /nfs/dbraw/zinc/93/89/96/951938996.db2.gz FUUCANDZXFOFHN-SBHAEUEKSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@]2(C)C1 ZINC001091530716 951939000 /nfs/dbraw/zinc/93/90/00/951939000.db2.gz FUUCANDZXFOFHN-SBHAEUEKSA-N 2 1 352.482 1.933 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982231 952994966 /nfs/dbraw/zinc/99/49/66/952994966.db2.gz ABQDUMPKSCGDID-GBESFXJTSA-N 2 1 359.518 1.753 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001087035125 953144053 /nfs/dbraw/zinc/14/40/53/953144053.db2.gz MSHGZUUMTUMDHD-HSALFYBXSA-N 2 1 370.497 1.606 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@]2(C)C1 ZINC001092016302 954067602 /nfs/dbraw/zinc/06/76/02/954067602.db2.gz LCIGSRBWJDNLNP-UZLBHIALSA-N 2 1 356.470 1.688 20 30 FDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@]2(C)C1 ZINC001092016302 954067616 /nfs/dbraw/zinc/06/76/16/954067616.db2.gz LCIGSRBWJDNLNP-UZLBHIALSA-N 2 1 356.470 1.688 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092143233 954452515 /nfs/dbraw/zinc/45/25/15/954452515.db2.gz CDBJWMKVZVXVIC-QAPCUYQASA-N 2 1 355.910 1.630 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001092143233 954452517 /nfs/dbraw/zinc/45/25/17/954452517.db2.gz CDBJWMKVZVXVIC-QAPCUYQASA-N 2 1 355.910 1.630 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@@]3(C)C2)C1 ZINC001092273755 954657590 /nfs/dbraw/zinc/65/75/90/954657590.db2.gz QPCYUDBTJRSESC-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@@]3(C)C2)C1 ZINC001092273755 954657592 /nfs/dbraw/zinc/65/75/92/954657592.db2.gz QPCYUDBTJRSESC-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@@]3(C)C2)C1 ZINC001092273755 954657603 /nfs/dbraw/zinc/65/76/03/954657603.db2.gz QPCYUDBTJRSESC-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cnc(C)o4)C[C@@]3(C)C2)CC1 ZINC001092300476 954748842 /nfs/dbraw/zinc/74/88/42/954748842.db2.gz XCOZFWQDTMZGSV-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(OC)ccn2)C[C@H]1C ZINC001092688830 956192986 /nfs/dbraw/zinc/19/29/86/956192986.db2.gz BYOOCVBOOFVHIK-HLIPFELVSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(OC)ccn2)C[C@H]1C ZINC001092688830 956192996 /nfs/dbraw/zinc/19/29/96/956192996.db2.gz BYOOCVBOOFVHIK-HLIPFELVSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(OC)ccn2)C[C@H]1C ZINC001092688830 956193005 /nfs/dbraw/zinc/19/30/05/956193005.db2.gz BYOOCVBOOFVHIK-HLIPFELVSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(OC)ccn2)C[C@H]1C ZINC001092688830 956193017 /nfs/dbraw/zinc/19/30/17/956193017.db2.gz BYOOCVBOOFVHIK-HLIPFELVSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(CO)cc2)C[C@H]1C ZINC001092689560 956196463 /nfs/dbraw/zinc/19/64/63/956196463.db2.gz MGKDVTUIBIZZLT-UIFIKXQLSA-N 2 1 369.509 1.461 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(CO)cc2)C[C@H]1C ZINC001092689560 956196474 /nfs/dbraw/zinc/19/64/74/956196474.db2.gz MGKDVTUIBIZZLT-UIFIKXQLSA-N 2 1 369.509 1.461 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1C ZINC001092689560 956196478 /nfs/dbraw/zinc/19/64/78/956196478.db2.gz MGKDVTUIBIZZLT-UIFIKXQLSA-N 2 1 369.509 1.461 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(CO)cc2)C[C@H]1C ZINC001092689560 956196482 /nfs/dbraw/zinc/19/64/82/956196482.db2.gz MGKDVTUIBIZZLT-UIFIKXQLSA-N 2 1 369.509 1.461 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C3CC3)no2)C[C@H]1C ZINC001092689938 956199043 /nfs/dbraw/zinc/19/90/43/956199043.db2.gz SYWVRTWGGLNQLD-MDYRTPRTSA-N 2 1 370.497 1.834 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C3CC3)no2)C[C@H]1C ZINC001092689938 956199056 /nfs/dbraw/zinc/19/90/56/956199056.db2.gz SYWVRTWGGLNQLD-MDYRTPRTSA-N 2 1 370.497 1.834 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C3CC3)no2)C[C@H]1C ZINC001092689938 956199063 /nfs/dbraw/zinc/19/90/63/956199063.db2.gz SYWVRTWGGLNQLD-MDYRTPRTSA-N 2 1 370.497 1.834 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C3CC3)no2)C[C@H]1C ZINC001092689938 956199070 /nfs/dbraw/zinc/19/90/70/956199070.db2.gz SYWVRTWGGLNQLD-MDYRTPRTSA-N 2 1 370.497 1.834 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093690751 958549601 /nfs/dbraw/zinc/54/96/01/958549601.db2.gz DOQFNXISNXETCV-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093690751 958549613 /nfs/dbraw/zinc/54/96/13/958549613.db2.gz DOQFNXISNXETCV-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)s2)[C@H](C)C1 ZINC001093832902 958926071 /nfs/dbraw/zinc/92/60/71/958926071.db2.gz GPKJSLPWTWOIET-BMFZPTHFSA-N 2 1 361.515 1.128 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnc(C)s2)[C@H](C)C1 ZINC001093832902 958926072 /nfs/dbraw/zinc/92/60/72/958926072.db2.gz GPKJSLPWTWOIET-BMFZPTHFSA-N 2 1 361.515 1.128 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001197751968 972413507 /nfs/dbraw/zinc/41/35/07/972413507.db2.gz GLJZCYMXZVWLSA-ZTFGCOKTSA-N 2 1 355.442 1.397 20 30 FDEDMP C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c1 ZINC001182676183 962384358 /nfs/dbraw/zinc/38/43/58/962384358.db2.gz DKKMBGYZZXGVBT-ATZDWAIDSA-N 2 1 368.481 1.137 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190930 963325018 /nfs/dbraw/zinc/32/50/18/963325018.db2.gz YSQFSCRBEWTULR-YRXWBPOGSA-N 2 1 374.529 1.112 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190930 963325029 /nfs/dbraw/zinc/32/50/29/963325029.db2.gz YSQFSCRBEWTULR-YRXWBPOGSA-N 2 1 374.529 1.112 20 30 FDEDMP C=CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)nn1 ZINC001185955424 964216294 /nfs/dbraw/zinc/21/62/94/964216294.db2.gz TVDSGZFNPRMDBA-FGTMMUONSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001185955424 964216306 /nfs/dbraw/zinc/21/63/06/964216306.db2.gz TVDSGZFNPRMDBA-FGTMMUONSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189426579 966971821 /nfs/dbraw/zinc/97/18/21/966971821.db2.gz ZXWJNUDWCFIRCP-RBUKOAKNSA-N 2 1 370.497 1.197 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189426579 966971827 /nfs/dbraw/zinc/97/18/27/966971827.db2.gz ZXWJNUDWCFIRCP-RBUKOAKNSA-N 2 1 370.497 1.197 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCOCC4CC4)C[C@H]32)CC1 ZINC001190317552 967729725 /nfs/dbraw/zinc/72/97/25/967729725.db2.gz HDSXDLNRVQAYLV-VQTJNVASSA-N 2 1 359.514 1.291 20 30 FDEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190318813 967732493 /nfs/dbraw/zinc/73/24/93/967732493.db2.gz VELGHOGXTHWLAM-RBUKOAKNSA-N 2 1 370.497 1.197 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190318813 967732502 /nfs/dbraw/zinc/73/25/02/967732502.db2.gz VELGHOGXTHWLAM-RBUKOAKNSA-N 2 1 370.497 1.197 20 30 FDEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193892468 969911850 /nfs/dbraw/zinc/91/18/50/969911850.db2.gz OVQDWLDFMHBICU-GUDVDZBRSA-N 2 1 356.470 1.094 20 30 FDEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193892468 969911853 /nfs/dbraw/zinc/91/18/53/969911853.db2.gz OVQDWLDFMHBICU-GUDVDZBRSA-N 2 1 356.470 1.094 20 30 FDEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193892468 969911856 /nfs/dbraw/zinc/91/18/56/969911856.db2.gz OVQDWLDFMHBICU-GUDVDZBRSA-N 2 1 356.470 1.094 20 30 FDEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001193892468 969911857 /nfs/dbraw/zinc/91/18/57/969911857.db2.gz OVQDWLDFMHBICU-GUDVDZBRSA-N 2 1 356.470 1.094 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000849081903 977307399 /nfs/dbraw/zinc/30/73/99/977307399.db2.gz PQNYPYYEWFGVPR-ZNMIVQPWSA-N 2 1 364.494 1.344 20 30 FDEDMP C=CCNC(=[NH2+])NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000849109842 977320176 /nfs/dbraw/zinc/32/01/76/977320176.db2.gz JOKJRZGKEBIZBC-UHFFFAOYSA-N 2 1 357.502 1.658 20 30 FDEDMP Cc1ccccc1C[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884179139 982951743 /nfs/dbraw/zinc/95/17/43/982951743.db2.gz GDVHRASDIDVKOJ-OBXNSHGQSA-N 2 1 352.482 1.779 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884193759 982969737 /nfs/dbraw/zinc/96/97/37/982969737.db2.gz OOHCALRKBMEOIS-LSNYBQGISA-N 2 1 352.482 1.907 20 30 FDEDMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884198372 982973759 /nfs/dbraw/zinc/97/37/59/982973759.db2.gz UIYPKORSYVOPNM-KOHRHEQBSA-N 2 1 350.426 1.331 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884219895 982994281 /nfs/dbraw/zinc/99/42/81/982994281.db2.gz ADMRKSXHNNSDRZ-BZYYEOTJSA-N 2 1 352.482 1.859 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884219895 982994285 /nfs/dbraw/zinc/99/42/85/982994285.db2.gz ADMRKSXHNNSDRZ-BZYYEOTJSA-N 2 1 352.482 1.859 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000884261604 983036382 /nfs/dbraw/zinc/03/63/82/983036382.db2.gz PJSCKOOYOHUVKK-UXHICEINSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000884261604 983036392 /nfs/dbraw/zinc/03/63/92/983036392.db2.gz PJSCKOOYOHUVKK-UXHICEINSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000884261604 983036400 /nfs/dbraw/zinc/03/64/00/983036400.db2.gz PJSCKOOYOHUVKK-UXHICEINSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000884261604 983036408 /nfs/dbraw/zinc/03/64/08/983036408.db2.gz PJSCKOOYOHUVKK-UXHICEINSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000862754888 984521525 /nfs/dbraw/zinc/52/15/25/984521525.db2.gz HIYWXYXBGGOBHN-LJQANCHMSA-N 2 1 355.482 1.731 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000862754888 984521536 /nfs/dbraw/zinc/52/15/36/984521536.db2.gz HIYWXYXBGGOBHN-LJQANCHMSA-N 2 1 355.482 1.731 20 30 FDEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC ZINC000872255120 987546672 /nfs/dbraw/zinc/54/66/72/987546672.db2.gz PVAFQAVQNSURGG-MDZRGWNJSA-N 2 1 373.453 1.627 20 30 FDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000372371136 991051770 /nfs/dbraw/zinc/05/17/70/991051770.db2.gz UQBUHVFCFDUIDM-LJQANCHMSA-N 2 1 369.513 1.846 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000876755020 992877168 /nfs/dbraw/zinc/87/71/68/992877168.db2.gz IITYZDWGOGJPCN-MRXNPFEDSA-N 2 1 370.925 1.249 20 30 FDEDMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876775174 992900188 /nfs/dbraw/zinc/90/01/88/992900188.db2.gz QBGCANQLWPOFOQ-PXNSSMCTSA-N 2 1 352.482 1.935 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000876775721 992900308 /nfs/dbraw/zinc/90/03/08/992900308.db2.gz DURIYYBHIQEWKG-RHSMWYFYSA-N 2 1 367.877 1.864 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000876775721 992900313 /nfs/dbraw/zinc/90/03/13/992900313.db2.gz DURIYYBHIQEWKG-RHSMWYFYSA-N 2 1 367.877 1.864 20 30 FDEDMP C[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000878485552 993979890 /nfs/dbraw/zinc/97/98/90/993979890.db2.gz OHFUZBGNCWDVNF-VAKZPMALSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000878485552 993979893 /nfs/dbraw/zinc/97/98/93/993979893.db2.gz OHFUZBGNCWDVNF-VAKZPMALSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CC[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000878485552 993979900 /nfs/dbraw/zinc/97/99/00/993979900.db2.gz OHFUZBGNCWDVNF-VAKZPMALSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[C@H](O)C[NH+](Cc2cc(C#N)cc(C[N@@H+]3C[C@H](O)C[C@H](C)C3)c2)C1 ZINC000878691668 994123854 /nfs/dbraw/zinc/12/38/54/994123854.db2.gz QSDIDDLANOZABH-IFCLKOLQSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(C#N)cc(C[NH+]3C[C@H](O)C[C@H](C)C3)c2)C1 ZINC000878691668 994123866 /nfs/dbraw/zinc/12/38/66/994123866.db2.gz QSDIDDLANOZABH-IFCLKOLQSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(C#N)cc(C[NH+]3C[C@H](O)C[C@H](C)C3)c2)C1 ZINC000878691668 994123877 /nfs/dbraw/zinc/12/38/77/994123877.db2.gz QSDIDDLANOZABH-IFCLKOLQSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000887130954 996957773 /nfs/dbraw/zinc/95/77/73/996957773.db2.gz OIBFRRWLJFHLFT-APWZRJJASA-N 2 1 352.438 1.904 20 30 FDEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000887134468 996960670 /nfs/dbraw/zinc/96/06/70/996960670.db2.gz KFTVFOVWPCQKAH-LPHOPBHVSA-N 2 1 352.438 1.904 20 30 FDEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000887134468 996960675 /nfs/dbraw/zinc/96/06/75/996960675.db2.gz KFTVFOVWPCQKAH-LPHOPBHVSA-N 2 1 352.438 1.904 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000264060883 997392329 /nfs/dbraw/zinc/39/23/29/997392329.db2.gz CUGOBKGUUWLILQ-UHFFFAOYSA-N 3 1 359.518 1.409 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1Cn1ccnc1 ZINC000264109087 997402851 /nfs/dbraw/zinc/40/28/51/997402851.db2.gz OFZQFZHDQULFPS-UHFFFAOYSA-N 2 1 356.474 1.058 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000890376296 998920914 /nfs/dbraw/zinc/92/09/14/998920914.db2.gz CZFWJNFJCCKEAJ-SFHVURJKSA-N 2 1 369.513 1.966 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000890376296 998920918 /nfs/dbraw/zinc/92/09/18/998920918.db2.gz CZFWJNFJCCKEAJ-SFHVURJKSA-N 2 1 369.513 1.966 20 30 FDEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001114860009 1009566285 /nfs/dbraw/zinc/56/62/85/1009566285.db2.gz WWQRFAYRLMZNHG-MJCUULBUSA-N 2 1 367.493 1.028 20 30 FDEDMP COCC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001114860009 1009566292 /nfs/dbraw/zinc/56/62/92/1009566292.db2.gz WWQRFAYRLMZNHG-MJCUULBUSA-N 2 1 367.493 1.028 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccnc1OC1CCCC1 ZINC000303868183 1009644787 /nfs/dbraw/zinc/64/47/87/1009644787.db2.gz AJCPGXCRHLTXAG-UHFFFAOYSA-N 2 1 361.490 1.530 20 30 FDEDMP N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(C[NH+]4CCOCC4)CC3)C2=O)cc1 ZINC000103482207 172368603 /nfs/dbraw/zinc/36/86/03/172368603.db2.gz QEFQMFPZKTWVEP-HXUWFJFHSA-N 2 1 368.481 1.708 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000074132443 522688683 /nfs/dbraw/zinc/68/86/83/522688683.db2.gz NMRQYQDTXQFIJR-QGZVFWFLSA-N 2 1 351.539 1.210 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000173373704 524376512 /nfs/dbraw/zinc/37/65/12/524376512.db2.gz DSDXBJNSNPNAEL-MRXNPFEDSA-N 2 1 361.494 1.677 20 30 FDEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1c(F)cccc1Cl ZINC000088754759 524466545 /nfs/dbraw/zinc/46/65/45/524466545.db2.gz DWVPZKMOBRLCBO-ZDUSSCGKSA-N 2 1 355.889 1.732 20 30 FDEDMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000152388670 524868558 /nfs/dbraw/zinc/86/85/58/524868558.db2.gz IIMRVSBEAFYKQS-LPHOPBHVSA-N 2 1 373.501 1.351 20 30 FDEDMP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152388670 524868572 /nfs/dbraw/zinc/86/85/72/524868572.db2.gz IIMRVSBEAFYKQS-LPHOPBHVSA-N 2 1 373.501 1.351 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)cc1OC ZINC000104156565 525397013 /nfs/dbraw/zinc/39/70/13/525397013.db2.gz GSERMEFRFWXNPX-CQSZACIVSA-N 2 1 350.463 1.601 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000154782638 525637516 /nfs/dbraw/zinc/63/75/16/525637516.db2.gz BTGZNXUUGSBOTG-UHFFFAOYSA-N 2 1 352.523 1.515 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNc1cccc(C#N)c1 ZINC000156461348 526142476 /nfs/dbraw/zinc/14/24/76/526142476.db2.gz ULAHPTMTJIVREZ-IBGZPJMESA-N 2 1 357.502 1.845 20 30 FDEDMP Cc1cccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1C#N ZINC000188954521 536976651 /nfs/dbraw/zinc/97/66/51/536976651.db2.gz FXFXFGBNZMOWOF-UHFFFAOYSA-N 2 1 371.485 1.290 20 30 FDEDMP Cc1cccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1C#N ZINC000188954521 536976655 /nfs/dbraw/zinc/97/66/55/536976655.db2.gz FXFXFGBNZMOWOF-UHFFFAOYSA-N 2 1 371.485 1.290 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190988525 537193799 /nfs/dbraw/zinc/19/37/99/537193799.db2.gz ABOXIQFVGQKLHT-NRFANRHFSA-N 2 1 369.509 1.739 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000280551993 537427007 /nfs/dbraw/zinc/42/70/07/537427007.db2.gz JGUIVPHDWJNGNN-SWLSCSKDSA-N 2 1 356.392 1.586 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272074557 537524333 /nfs/dbraw/zinc/52/43/33/537524333.db2.gz DEOWJXMXSZGAPT-UHFFFAOYSA-N 2 1 369.853 1.417 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000304776149 537599105 /nfs/dbraw/zinc/59/91/05/537599105.db2.gz CYJAUJCUWMZKQX-GOSISDBHSA-N 3 1 364.582 1.325 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304776149 537599113 /nfs/dbraw/zinc/59/91/13/537599113.db2.gz CYJAUJCUWMZKQX-GOSISDBHSA-N 3 1 364.582 1.325 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304776149 537599118 /nfs/dbraw/zinc/59/91/18/537599118.db2.gz CYJAUJCUWMZKQX-GOSISDBHSA-N 3 1 364.582 1.325 20 30 FDEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000329028955 537634179 /nfs/dbraw/zinc/63/41/79/537634179.db2.gz ALBVMYYAMFBZJX-UHFFFAOYSA-N 2 1 351.495 1.511 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000369375059 538016785 /nfs/dbraw/zinc/01/67/85/538016785.db2.gz VMKJKUGWCALPDJ-SFHVURJKSA-N 2 1 363.550 1.495 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000369375059 538016796 /nfs/dbraw/zinc/01/67/96/538016796.db2.gz VMKJKUGWCALPDJ-SFHVURJKSA-N 2 1 363.550 1.495 20 30 FDEDMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)C[C@H](C)O1 ZINC000424154060 538247194 /nfs/dbraw/zinc/24/71/94/538247194.db2.gz MBKAPAUSMSWZEA-SOLBZPMBSA-N 2 1 350.507 1.745 20 30 FDEDMP C[N@H+]1CCCC[C@H]1CN1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567896538 548315109 /nfs/dbraw/zinc/31/51/09/548315109.db2.gz ZUROVLLOYRWRRF-SFHVURJKSA-N 2 1 353.474 1.203 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000570562202 549325385 /nfs/dbraw/zinc/32/53/85/549325385.db2.gz SAJWDGCEIGLWPR-NLWGTHIKSA-N 2 1 363.550 1.530 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)CC1 ZINC000570562202 549325390 /nfs/dbraw/zinc/32/53/90/549325390.db2.gz SAJWDGCEIGLWPR-NLWGTHIKSA-N 2 1 363.550 1.530 20 30 FDEDMP Cn1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000581022420 551044106 /nfs/dbraw/zinc/04/41/06/551044106.db2.gz UWIFIZWJRPEECN-UHFFFAOYSA-N 2 1 353.470 1.895 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000591360428 551866147 /nfs/dbraw/zinc/86/61/47/551866147.db2.gz UKFXZVZXOROIPV-IBGZPJMESA-N 2 1 355.486 1.918 20 30 FDEDMP N#CC[C@@]1(O)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150231 551949973 /nfs/dbraw/zinc/94/99/73/551949973.db2.gz BHECAFRRIPLGBL-WOJBJXKFSA-N 2 1 354.454 1.388 20 30 FDEDMP C[N@@H+](CCN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1)Cc1ccccc1 ZINC000594438596 552310576 /nfs/dbraw/zinc/31/05/76/552310576.db2.gz OSCOFXKAYMZSNR-HXUWFJFHSA-N 2 1 371.529 1.674 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000594450034 552312564 /nfs/dbraw/zinc/31/25/64/552312564.db2.gz RHJHZIUFAPLOIP-SFHVURJKSA-N 2 1 357.502 1.507 20 30 FDEDMP N#Cc1ccc(CC[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892609 552629658 /nfs/dbraw/zinc/62/96/58/552629658.db2.gz NRCWGKFBOVLVMC-RBUKOAKNSA-N 2 1 353.470 1.321 20 30 FDEDMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600720545 553307233 /nfs/dbraw/zinc/30/72/33/553307233.db2.gz ZKHGBPJGTOZWLA-HXUWFJFHSA-N 2 1 356.514 1.968 20 30 FDEDMP C[NH+]=C(NCCc1sc(C)nc1C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000086913988 671484291 /nfs/dbraw/zinc/48/42/91/671484291.db2.gz LLWSTVZVCZTEEZ-INIZCTEOSA-N 2 1 365.547 1.532 20 30 FDEDMP C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000086766503 671484399 /nfs/dbraw/zinc/48/43/99/671484399.db2.gz KHCMBEDBUWBWMM-INIZCTEOSA-N 2 1 370.563 1.128 20 30 FDEDMP C[NH+]=C(NCc1nccn1C(F)F)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261862843 672684955 /nfs/dbraw/zinc/68/49/55/672684955.db2.gz YPNDWUPEMCQIMM-ZDUSSCGKSA-N 2 1 356.421 1.008 20 30 FDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000262788244 672849874 /nfs/dbraw/zinc/84/98/74/672849874.db2.gz NCSHJGRLPSAHBR-IBGZPJMESA-N 3 1 367.607 1.996 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000267462452 673306702 /nfs/dbraw/zinc/30/67/02/673306702.db2.gz VNPZXCKLVZVKSH-WMLDXEAASA-N 2 1 350.463 1.126 20 30 FDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])NCCc1cccs1 ZINC000303974696 676544019 /nfs/dbraw/zinc/54/40/19/676544019.db2.gz IFXOZXWMBBMGGZ-HNNXBMFYSA-N 2 1 351.520 1.138 20 30 FDEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000329541919 676643616 /nfs/dbraw/zinc/64/36/16/676643616.db2.gz NOQKPWCGHRZHLI-ULQDDVLXSA-N 2 1 352.523 1.552 20 30 FDEDMP C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000329541919 676643620 /nfs/dbraw/zinc/64/36/20/676643620.db2.gz NOQKPWCGHRZHLI-ULQDDVLXSA-N 2 1 352.523 1.552 20 30 FDEDMP C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000329696561 676650057 /nfs/dbraw/zinc/65/00/57/676650057.db2.gz DOKXXMROTSESTK-HOTGVXAUSA-N 2 1 352.523 1.600 20 30 FDEDMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330123676 676674172 /nfs/dbraw/zinc/67/41/72/676674172.db2.gz ATYNVWPEAQDLJT-BMGDILEWSA-N 2 1 350.507 1.352 20 30 FDEDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330216670 676679257 /nfs/dbraw/zinc/67/92/57/676679257.db2.gz HYGWMYMNOPBJJF-JQHSSLGASA-N 2 1 352.523 1.552 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCCC[C@H]3CO2)CC1 ZINC000371287744 677658340 /nfs/dbraw/zinc/65/83/40/677658340.db2.gz SJDDFSAGOISLTF-ROUUACIJSA-N 2 1 350.507 1.579 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCCC[C@H]3CO2)CC1 ZINC000371287744 677658341 /nfs/dbraw/zinc/65/83/41/677658341.db2.gz SJDDFSAGOISLTF-ROUUACIJSA-N 2 1 350.507 1.579 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC#C[C@@H]3CCCCO3)CC2)CC1 ZINC000891116438 773311130 /nfs/dbraw/zinc/31/11/30/773311130.db2.gz MSHJDYADABQRSD-FQEVSTJZSA-N 2 1 361.530 1.871 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccnc2C)C1 ZINC001104306174 774436181 /nfs/dbraw/zinc/43/61/81/774436181.db2.gz OXAZCHXSSABSRI-POAQFYNOSA-N 2 1 369.513 1.457 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccnc2C)C1 ZINC001104306174 774436185 /nfs/dbraw/zinc/43/61/85/774436185.db2.gz OXAZCHXSSABSRI-POAQFYNOSA-N 2 1 369.513 1.457 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104682840 789385497 /nfs/dbraw/zinc/38/54/97/789385497.db2.gz BFKHBSMICQQAQD-IAGOWNOFSA-N 2 1 364.534 1.095 20 30 FDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683594 789389509 /nfs/dbraw/zinc/38/95/09/789389509.db2.gz NAVDXKXQBNRHRY-QZTJIDSGSA-N 2 1 351.535 1.995 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000892851369 791454399 /nfs/dbraw/zinc/45/43/99/791454399.db2.gz ILSBRQITXXDYPV-QZTJIDSGSA-N 2 1 350.507 1.268 20 30 FDEDMP C=CC[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000662758654 803076368 /nfs/dbraw/zinc/07/63/68/803076368.db2.gz VONUCWXXMFSYKF-NRFANRHFSA-N 2 1 372.513 1.950 20 30 FDEDMP C=CC[C@@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000662759742 803088810 /nfs/dbraw/zinc/08/88/10/803088810.db2.gz VRXXNZYDJVALIK-FQEVSTJZSA-N 2 1 357.502 1.408 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720918 809274609 /nfs/dbraw/zinc/27/46/09/809274609.db2.gz SLWKRLWAXKQWPA-HSALFYBXSA-N 2 1 357.498 1.725 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549860 810618916 /nfs/dbraw/zinc/61/89/16/810618916.db2.gz BVYSJTHOBBAFOQ-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261931063 811346604 /nfs/dbraw/zinc/34/66/04/811346604.db2.gz BJIIUCFFADJUOR-QAPCUYQASA-N 2 1 369.517 1.969 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087474569 818267282 /nfs/dbraw/zinc/26/72/82/818267282.db2.gz MVLUYOOFYOSGSR-DBOLQNLKSA-N 2 1 369.509 1.943 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001087474569 818267287 /nfs/dbraw/zinc/26/72/87/818267287.db2.gz MVLUYOOFYOSGSR-DBOLQNLKSA-N 2 1 369.509 1.943 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001087474569 818267294 /nfs/dbraw/zinc/26/72/94/818267294.db2.gz MVLUYOOFYOSGSR-DBOLQNLKSA-N 2 1 369.509 1.943 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001087474569 818267300 /nfs/dbraw/zinc/26/73/00/818267300.db2.gz MVLUYOOFYOSGSR-DBOLQNLKSA-N 2 1 369.509 1.943 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001075799552 820468821 /nfs/dbraw/zinc/46/88/21/820468821.db2.gz FXHMVLFQAGWFPT-PWRODBHTSA-N 2 1 364.493 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCOC3)[C@@H]2CC)CC1 ZINC001087840440 822559621 /nfs/dbraw/zinc/55/96/21/822559621.db2.gz XPDGIMFLAQUIDT-YZGWKJHDSA-N 2 1 361.530 1.727 20 30 FDEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)C[C@H]1C ZINC000329002128 824530613 /nfs/dbraw/zinc/53/06/13/824530613.db2.gz XTUIULWGZKQYRM-SJORKVTESA-N 2 1 374.533 1.662 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccn3)CC[C@@H]2C1 ZINC001087998189 825076539 /nfs/dbraw/zinc/07/65/39/825076539.db2.gz WATUKBHFORNZSV-HBFSDRIKSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccn3)CC[C@@H]2C1 ZINC001087998189 825076547 /nfs/dbraw/zinc/07/65/47/825076547.db2.gz WATUKBHFORNZSV-HBFSDRIKSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccn3)CC[C@@H]2C1 ZINC001087998189 825076555 /nfs/dbraw/zinc/07/65/55/825076555.db2.gz WATUKBHFORNZSV-HBFSDRIKSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccn3)CC[C@@H]2C1 ZINC001087998189 825076565 /nfs/dbraw/zinc/07/65/65/825076565.db2.gz WATUKBHFORNZSV-HBFSDRIKSA-N 2 1 352.482 1.460 20 30 FDEDMP C[C@@H]1C[C@@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000329824424 825487271 /nfs/dbraw/zinc/48/72/71/825487271.db2.gz ZYXQZDOWARQWMN-WBVHZDCISA-N 2 1 360.506 1.320 20 30 FDEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330189681 825712255 /nfs/dbraw/zinc/71/22/55/825712255.db2.gz VNHUGDRZBZAIEH-UKBAYJJMSA-N 2 1 366.550 1.988 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001088234495 827598434 /nfs/dbraw/zinc/59/84/34/827598434.db2.gz UFFLDFDMVBMGOY-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001088234495 827598436 /nfs/dbraw/zinc/59/84/36/827598436.db2.gz UFFLDFDMVBMGOY-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001088234495 827598440 /nfs/dbraw/zinc/59/84/40/827598440.db2.gz UFFLDFDMVBMGOY-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528375896 829369385 /nfs/dbraw/zinc/36/93/85/829369385.db2.gz DOPFPVUWHKTDBG-OALUTQOASA-N 2 1 358.486 1.010 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528431876 829400676 /nfs/dbraw/zinc/40/06/76/829400676.db2.gz NTHBTUZXIGEBFX-HOJAQTOUSA-N 2 1 372.513 1.256 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000528431876 829400681 /nfs/dbraw/zinc/40/06/81/829400681.db2.gz NTHBTUZXIGEBFX-HOJAQTOUSA-N 2 1 372.513 1.256 20 30 FDEDMP C[NH+]=C(NCC1(N(C)C)Cc2ccccc2C1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262674180 830031284 /nfs/dbraw/zinc/03/12/84/830031284.db2.gz QNXREISUBCVCNH-QFBILLFUSA-N 2 1 369.557 1.876 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262674180 830031291 /nfs/dbraw/zinc/03/12/91/830031291.db2.gz QNXREISUBCVCNH-QFBILLFUSA-N 3 1 369.557 1.876 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262674180 830031299 /nfs/dbraw/zinc/03/12/99/830031299.db2.gz QNXREISUBCVCNH-QFBILLFUSA-N 3 1 369.557 1.876 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000264133410 838333258 /nfs/dbraw/zinc/33/32/58/838333258.db2.gz YUCIXJSTFBSLNN-UXHICEINSA-N 3 1 357.546 1.940 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264133410 838333265 /nfs/dbraw/zinc/33/32/65/838333265.db2.gz YUCIXJSTFBSLNN-UXHICEINSA-N 3 1 357.546 1.940 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264133410 838333272 /nfs/dbraw/zinc/33/32/72/838333272.db2.gz YUCIXJSTFBSLNN-UXHICEINSA-N 3 1 357.546 1.940 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105670248 844366964 /nfs/dbraw/zinc/36/69/64/844366964.db2.gz YSDFRDUHZYKFLC-IZBJGVDFSA-N 2 1 358.486 1.181 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000481881129 847068352 /nfs/dbraw/zinc/06/83/52/847068352.db2.gz ZDVPIDMIJUFAJL-IRXDYDNUSA-N 2 1 364.534 1.380 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC4CCOCC4)C[C@H]32)CC1 ZINC001076605743 848557394 /nfs/dbraw/zinc/55/73/94/848557394.db2.gz QORDCJQOMQTMTH-VQTJNVASSA-N 2 1 359.514 1.291 20 30 FDEDMP CC(C)(C)[NH+]=C(NCCCn1cccn1)NCCC[NH+]1CCOCC1 ZINC000912498830 859826744 /nfs/dbraw/zinc/82/67/44/859826744.db2.gz JOBSZORQGSMXKE-UHFFFAOYSA-N 2 1 350.511 1.329 20 30 FDEDMP CC(C)[N@H+]1CC[C@H](CNC(NCCCN2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912507105 859831241 /nfs/dbraw/zinc/83/12/41/859831241.db2.gz UYDHXLMAYIAHKW-GOSISDBHSA-N 2 1 367.582 1.773 20 30 FDEDMP CC(C)[N@@H+]1CC[C@H](CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912507105 859831249 /nfs/dbraw/zinc/83/12/49/859831249.db2.gz UYDHXLMAYIAHKW-GOSISDBHSA-N 3 1 367.582 1.773 20 30 FDEDMP CC(C)[N@H+]1CC[C@H](CNC(NCCC[NH+]2CCOCC2)=[NH+]C(C)(C)C)C1 ZINC000912507105 859831259 /nfs/dbraw/zinc/83/12/59/859831259.db2.gz UYDHXLMAYIAHKW-GOSISDBHSA-N 3 1 367.582 1.773 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(C)nc3C2)C[C@H]1C ZINC001106342879 874850073 /nfs/dbraw/zinc/85/00/73/874850073.db2.gz HKSJLNSQVHDCFL-HYVNUMGLSA-N 2 1 360.502 1.710 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665818 876475964 /nfs/dbraw/zinc/47/59/64/876475964.db2.gz CSNMASHTSVVPRI-HLIPFELVSA-N 2 1 367.509 1.533 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000923393349 889105199 /nfs/dbraw/zinc/10/51/99/889105199.db2.gz PACDVOYSKJEGAU-ONCXSQPRSA-N 2 1 359.470 1.659 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212460679 893830536 /nfs/dbraw/zinc/83/05/36/893830536.db2.gz JIIAROMDYJSMPT-IAGOWNOFSA-N 2 1 353.507 1.126 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4C[NH+]5CCC4CC5)[C@@H]3C2)cc1 ZINC001084349277 914135381 /nfs/dbraw/zinc/13/53/81/914135381.db2.gz FVVFIPPUFUMQGR-NJDAHSKKSA-N 2 1 364.493 1.933 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039472 900075267 /nfs/dbraw/zinc/07/52/67/900075267.db2.gz SVWGLTPPDAJOIB-RLLQIKCJSA-N 2 1 357.498 1.623 20 30 FDEDMP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001079135949 902004148 /nfs/dbraw/zinc/00/41/48/902004148.db2.gz XDRIOCCECBWJKI-DOIPELPJSA-N 2 1 371.525 1.977 20 30 FDEDMP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001079135949 902004161 /nfs/dbraw/zinc/00/41/61/902004161.db2.gz XDRIOCCECBWJKI-DOIPELPJSA-N 2 1 371.525 1.977 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001079135949 902004167 /nfs/dbraw/zinc/00/41/67/902004167.db2.gz XDRIOCCECBWJKI-DOIPELPJSA-N 2 1 371.525 1.977 20 30 FDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001079135949 902004176 /nfs/dbraw/zinc/00/41/76/902004176.db2.gz XDRIOCCECBWJKI-DOIPELPJSA-N 2 1 371.525 1.977 20 30 FDEDMP C=C(C)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436402 904901704 /nfs/dbraw/zinc/90/17/04/904901704.db2.gz YKIOXARXTKPMFH-NLWGTHIKSA-N 2 1 359.518 1.750 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436402 904901711 /nfs/dbraw/zinc/90/17/11/904901711.db2.gz YKIOXARXTKPMFH-NLWGTHIKSA-N 2 1 359.518 1.750 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001107442983 904940159 /nfs/dbraw/zinc/94/01/59/904940159.db2.gz VIZIPNICENLDDN-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CCC[C@@H]12 ZINC001107442983 904940162 /nfs/dbraw/zinc/94/01/62/904940162.db2.gz VIZIPNICENLDDN-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107442983 904940173 /nfs/dbraw/zinc/94/01/73/904940173.db2.gz VIZIPNICENLDDN-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107449666 904971799 /nfs/dbraw/zinc/97/17/99/904971799.db2.gz SRQZAWONJVTFFM-MBOZVWFJSA-N 2 1 362.518 1.134 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080325058 905157590 /nfs/dbraw/zinc/15/75/90/905157590.db2.gz OSTXSAZQAGXRLR-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080325058 905157595 /nfs/dbraw/zinc/15/75/95/905157595.db2.gz OSTXSAZQAGXRLR-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080325058 905157598 /nfs/dbraw/zinc/15/75/98/905157598.db2.gz OSTXSAZQAGXRLR-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001080325058 905157601 /nfs/dbraw/zinc/15/76/01/905157601.db2.gz OSTXSAZQAGXRLR-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1C#N ZINC001080787890 906315656 /nfs/dbraw/zinc/31/56/56/906315656.db2.gz WTNUQEVYCXGPKE-CRAIPNDOSA-N 2 1 368.481 1.599 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1C#N ZINC001080787890 906315674 /nfs/dbraw/zinc/31/56/74/906315674.db2.gz WTNUQEVYCXGPKE-CRAIPNDOSA-N 2 1 368.481 1.599 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(OC)ccn3)C[C@H]2C)CC1 ZINC001080997833 906972329 /nfs/dbraw/zinc/97/23/29/906972329.db2.gz LPLXRSMDEGGXPS-OXQOHEQNSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(OC)ccn3)C[C@H]2C)CC1 ZINC001080997833 906972334 /nfs/dbraw/zinc/97/23/34/906972334.db2.gz LPLXRSMDEGGXPS-OXQOHEQNSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2OC)CC1 ZINC001082384330 907387973 /nfs/dbraw/zinc/38/79/73/907387973.db2.gz PYONZOZNAMXQFG-WOJBJXKFSA-N 2 1 355.482 1.347 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001082567939 908704920 /nfs/dbraw/zinc/70/49/20/908704920.db2.gz MNNQSXBFEUKHPU-OIISXLGYSA-N 2 1 360.889 1.769 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC001082567939 908704932 /nfs/dbraw/zinc/70/49/32/908704932.db2.gz MNNQSXBFEUKHPU-OIISXLGYSA-N 2 1 360.889 1.769 20 30 FDEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccccc1C#N ZINC001082807828 910265551 /nfs/dbraw/zinc/26/55/51/910265551.db2.gz FJZBHEOQHDQXSE-VQIMIIECSA-N 2 1 356.470 1.217 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1C#N ZINC001082861919 910523470 /nfs/dbraw/zinc/52/34/70/910523470.db2.gz SLDQMODMORPPOL-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(-c4cc[nH+]cc4)n3)[C@H]2C1 ZINC001083139987 912146151 /nfs/dbraw/zinc/14/61/51/912146151.db2.gz FSCJQPDMVHQXOH-ZWKOTPCHSA-N 2 1 353.426 1.369 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001084830548 917509914 /nfs/dbraw/zinc/50/99/14/917509914.db2.gz YUJAZCUTIVMIAA-ZIFCJYIRSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001084830548 917509925 /nfs/dbraw/zinc/50/99/25/917509925.db2.gz YUJAZCUTIVMIAA-ZIFCJYIRSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001084830548 917509933 /nfs/dbraw/zinc/50/99/33/917509933.db2.gz YUJAZCUTIVMIAA-ZIFCJYIRSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001084830548 917509941 /nfs/dbraw/zinc/50/99/41/917509941.db2.gz YUJAZCUTIVMIAA-ZIFCJYIRSA-N 2 1 356.445 1.682 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnoc4C)[C@H]3C2)CC1 ZINC001085100702 920915614 /nfs/dbraw/zinc/91/56/14/920915614.db2.gz XVEWZVHXTKFWGA-XLIONFOSSA-N 2 1 370.497 1.751 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928510 930782150 /nfs/dbraw/zinc/78/21/50/930782150.db2.gz ZACSYRXZWWNHOP-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928510 930782157 /nfs/dbraw/zinc/78/21/57/930782157.db2.gz ZACSYRXZWWNHOP-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109928510 930782163 /nfs/dbraw/zinc/78/21/63/930782163.db2.gz ZACSYRXZWWNHOP-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109928510 930782170 /nfs/dbraw/zinc/78/21/70/930782170.db2.gz ZACSYRXZWWNHOP-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129949157 938574054 /nfs/dbraw/zinc/57/40/54/938574054.db2.gz RROWSXRWRPCANA-MSOLQXFVSA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012160 938614797 /nfs/dbraw/zinc/61/47/97/938614797.db2.gz RYKATLZLUZCYOZ-SJORKVTESA-N 2 1 362.522 1.564 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130040888 938627181 /nfs/dbraw/zinc/62/71/81/938627181.db2.gz QTBKSWZJPAVXFE-SJORKVTESA-N 2 1 357.462 1.181 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130040788 938627237 /nfs/dbraw/zinc/62/72/37/938627237.db2.gz LODUBMSNZLDFIG-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001130610003 939907585 /nfs/dbraw/zinc/90/75/85/939907585.db2.gz FJGIAAFNAIQDLK-CMKODMSKSA-N 2 1 371.529 1.305 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130726345 940030902 /nfs/dbraw/zinc/03/09/02/940030902.db2.gz UALVJROZUBGEQD-HHXXYDBFSA-N 2 1 370.501 1.864 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130734500 940034439 /nfs/dbraw/zinc/03/44/39/940034439.db2.gz UGXLNWCKMLCZKI-UHOSZYNNSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1c1cn(C)cn1 ZINC001130737166 940038223 /nfs/dbraw/zinc/03/82/23/940038223.db2.gz VRNXTWSLAVPMDQ-AZUAARDMSA-N 2 1 367.497 1.622 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1c1cn(C)cn1 ZINC001130737166 940038228 /nfs/dbraw/zinc/03/82/28/940038228.db2.gz VRNXTWSLAVPMDQ-AZUAARDMSA-N 2 1 367.497 1.622 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cncn1C ZINC001131132440 940512561 /nfs/dbraw/zinc/51/25/61/940512561.db2.gz KXUNOELPYJAOQY-KZNAEPCWSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001086721080 941640487 /nfs/dbraw/zinc/64/04/87/941640487.db2.gz FCQKXKHXUTYVFR-UXLLHSPISA-N 2 1 360.458 1.155 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)no2)C1 ZINC001086721080 941640491 /nfs/dbraw/zinc/64/04/91/941640491.db2.gz FCQKXKHXUTYVFR-UXLLHSPISA-N 2 1 360.458 1.155 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000815652802 941933445 /nfs/dbraw/zinc/93/34/45/941933445.db2.gz UDEMMJRAWZNPPN-UYAOXDASSA-N 2 1 373.497 1.957 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000815652802 941933448 /nfs/dbraw/zinc/93/34/48/941933448.db2.gz UDEMMJRAWZNPPN-UYAOXDASSA-N 2 1 373.497 1.957 20 30 FDEDMP C[NH+](C)CCOCc1ncn2c1C[N@H+](Cc1cncc(C#N)c1)CCC2 ZINC001144079973 948200562 /nfs/dbraw/zinc/20/05/62/948200562.db2.gz RJLAVLRWTSLKLP-UHFFFAOYSA-N 2 1 354.458 1.634 20 30 FDEDMP C[NH+](C)CCOCc1ncn2c1C[N@@H+](Cc1cncc(C#N)c1)CCC2 ZINC001144079973 948200573 /nfs/dbraw/zinc/20/05/73/948200573.db2.gz RJLAVLRWTSLKLP-UHFFFAOYSA-N 2 1 354.458 1.634 20 30 FDEDMP C#CC[NH+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)c2)C1 ZINC001091400539 951572859 /nfs/dbraw/zinc/57/28/59/951572859.db2.gz LMMQVLVOBYFLRY-HSALFYBXSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)c2)C1 ZINC001091400539 951572865 /nfs/dbraw/zinc/57/28/65/951572865.db2.gz LMMQVLVOBYFLRY-HSALFYBXSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](Oc2ccnc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)c2)C1 ZINC001091400539 951572873 /nfs/dbraw/zinc/57/28/73/951572873.db2.gz LMMQVLVOBYFLRY-HSALFYBXSA-N 2 1 370.497 1.514 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086983422 952997224 /nfs/dbraw/zinc/99/72/24/952997224.db2.gz OFXVWXFCKIRDNL-BBWFWOEESA-N 2 1 367.925 1.643 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnoc3C)C[C@H]2C)CC1 ZINC001093223631 957854317 /nfs/dbraw/zinc/85/43/17/957854317.db2.gz DQBYHPYFUCFQDR-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001093373105 958014506 /nfs/dbraw/zinc/01/45/06/958014506.db2.gz KASNBWRRKODLPJ-QRQLOZEOSA-N 2 1 359.514 1.432 20 30 FDEDMP C#CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001093373105 958014520 /nfs/dbraw/zinc/01/45/20/958014520.db2.gz KASNBWRRKODLPJ-QRQLOZEOSA-N 2 1 359.514 1.432 20 30 FDEDMP C#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093373105 958014528 /nfs/dbraw/zinc/01/45/28/958014528.db2.gz KASNBWRRKODLPJ-QRQLOZEOSA-N 2 1 359.514 1.432 20 30 FDEDMP C#CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093373105 958014540 /nfs/dbraw/zinc/01/45/40/958014540.db2.gz KASNBWRRKODLPJ-QRQLOZEOSA-N 2 1 359.514 1.432 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150609 959229948 /nfs/dbraw/zinc/22/99/48/959229948.db2.gz GSVSXRDJEJBJAM-MHORFTMASA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150609 959229959 /nfs/dbraw/zinc/22/99/59/959229959.db2.gz GSVSXRDJEJBJAM-MHORFTMASA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2 ZINC001110156813 960399133 /nfs/dbraw/zinc/39/91/33/960399133.db2.gz AXUOUHVUUIOAMS-SQNIBIBYSA-N 2 1 362.518 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C(C)C)C2 ZINC001110156813 960399138 /nfs/dbraw/zinc/39/91/38/960399138.db2.gz AXUOUHVUUIOAMS-SQNIBIBYSA-N 2 1 362.518 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110156813 960399144 /nfs/dbraw/zinc/39/91/44/960399144.db2.gz AXUOUHVUUIOAMS-SQNIBIBYSA-N 2 1 362.518 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)C2 ZINC001110156813 960399153 /nfs/dbraw/zinc/39/91/53/960399153.db2.gz AXUOUHVUUIOAMS-SQNIBIBYSA-N 2 1 362.518 1.249 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1conc1C)CC2 ZINC001094436614 960478894 /nfs/dbraw/zinc/47/88/94/960478894.db2.gz ZCYYROZHGSPKSW-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1conc1C)CC2 ZINC001094436614 960478901 /nfs/dbraw/zinc/47/89/01/960478901.db2.gz ZCYYROZHGSPKSW-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1conc1C)CC2 ZINC001094436614 960478909 /nfs/dbraw/zinc/47/89/09/960478909.db2.gz ZCYYROZHGSPKSW-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1conc1C)CC2 ZINC001094436614 960478926 /nfs/dbraw/zinc/47/89/26/960478926.db2.gz ZCYYROZHGSPKSW-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189653012 967165052 /nfs/dbraw/zinc/16/50/52/967165052.db2.gz PXWOYASJQUIJIZ-AZUAARDMSA-N 2 1 370.497 1.963 20 30 FDEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189653012 967165063 /nfs/dbraw/zinc/16/50/63/967165063.db2.gz PXWOYASJQUIJIZ-AZUAARDMSA-N 2 1 370.497 1.963 20 30 FDEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189653012 967165067 /nfs/dbraw/zinc/16/50/67/967165067.db2.gz PXWOYASJQUIJIZ-AZUAARDMSA-N 2 1 370.497 1.963 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487158 967871781 /nfs/dbraw/zinc/87/17/81/967871781.db2.gz SWQNRXYKQMBFKL-VQTJNVASSA-N 2 1 357.498 1.854 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487158 967871791 /nfs/dbraw/zinc/87/17/91/967871791.db2.gz SWQNRXYKQMBFKL-VQTJNVASSA-N 2 1 357.498 1.854 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487158 967871795 /nfs/dbraw/zinc/87/17/95/967871795.db2.gz SWQNRXYKQMBFKL-VQTJNVASSA-N 2 1 357.498 1.854 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)Cc3ccccc3)[C@@H]2C1 ZINC001190487158 967871805 /nfs/dbraw/zinc/87/18/05/967871805.db2.gz SWQNRXYKQMBFKL-VQTJNVASSA-N 2 1 357.498 1.854 20 30 FDEDMP C#CCC[NH+]1CCN(c2ncnc(N3CC[NH+](CCC#C)CC3)c2C)CC1 ZINC000853264930 967949584 /nfs/dbraw/zinc/94/95/84/967949584.db2.gz XSBLSBGEOIGLFY-UHFFFAOYSA-N 2 1 366.513 1.076 20 30 FDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@@H+]1CCc2sccc2C1 ZINC000884193781 982969594 /nfs/dbraw/zinc/96/95/94/982969594.db2.gz OYMXQCGGXBFHQU-QGILYTQXSA-N 2 1 358.511 1.750 20 30 FDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[N@H+]1CCc2sccc2C1 ZINC000884193781 982969599 /nfs/dbraw/zinc/96/95/99/982969599.db2.gz OYMXQCGGXBFHQU-QGILYTQXSA-N 2 1 358.511 1.750 20 30 FDEDMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H](C)O1 ZINC000884201664 982977177 /nfs/dbraw/zinc/97/71/77/982977177.db2.gz DSGVGMMOWXRZCQ-IBSABPRFSA-N 2 1 360.502 1.226 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CC[N@@H+](CCc3ccccc3)C1)C2 ZINC000884203945 982979233 /nfs/dbraw/zinc/97/92/33/982979233.db2.gz JTYWVJWLQGWHRP-NYOITOSFSA-N 2 1 366.509 1.807 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl)C2 ZINC000884278250 983049336 /nfs/dbraw/zinc/04/93/36/983049336.db2.gz HFCZYWOHPOTDMF-VSOMRHIXSA-N 2 1 358.873 1.952 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332485664 983063371 /nfs/dbraw/zinc/06/33/71/983063371.db2.gz NPCSFNISJLJTFK-WMZOPIPTSA-N 2 1 362.518 1.086 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000884458907 983167793 /nfs/dbraw/zinc/16/77/93/983167793.db2.gz PUCFCYHCLQYLRG-GOSISDBHSA-N 2 1 362.518 1.274 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000884458907 983167796 /nfs/dbraw/zinc/16/77/96/983167796.db2.gz PUCFCYHCLQYLRG-GOSISDBHSA-N 2 1 362.518 1.274 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000871050806 986617386 /nfs/dbraw/zinc/61/73/86/986617386.db2.gz KDCNOUHXAMBWDZ-BDXSIMOUSA-N 2 1 372.517 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000871050806 986617394 /nfs/dbraw/zinc/61/73/94/986617394.db2.gz KDCNOUHXAMBWDZ-BDXSIMOUSA-N 2 1 372.517 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000871050806 986617397 /nfs/dbraw/zinc/61/73/97/986617397.db2.gz KDCNOUHXAMBWDZ-BDXSIMOUSA-N 2 1 372.517 1.530 20 30 FDEDMP C=CCc1cc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc(OC)c1O ZINC000872254946 987546367 /nfs/dbraw/zinc/54/63/67/987546367.db2.gz GQMDRMOTXQIPML-JZXOWHBKSA-N 2 1 373.453 1.496 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](Cc3cc(C)no3)CC2)CC1 ZINC000363361693 989126065 /nfs/dbraw/zinc/12/60/65/989126065.db2.gz WFFLTMREGCKRIC-UHFFFAOYSA-N 2 1 358.486 1.751 20 30 FDEDMP C=CC[N@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000363512528 989259523 /nfs/dbraw/zinc/25/95/23/989259523.db2.gz VPAIHYWXIFFPGQ-SFTDATJTSA-N 2 1 359.514 1.442 20 30 FDEDMP CN(C(=O)COc1ccccc1C#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370829365 990023087 /nfs/dbraw/zinc/02/30/87/990023087.db2.gz GAWNXBCHZKUPPF-GOSISDBHSA-N 2 1 356.470 1.564 20 30 FDEDMP CN(C(=O)COc1ccccc1C#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370829365 990023099 /nfs/dbraw/zinc/02/30/99/990023099.db2.gz GAWNXBCHZKUPPF-GOSISDBHSA-N 2 1 356.470 1.564 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)C1=O ZINC000374100963 992610585 /nfs/dbraw/zinc/61/05/85/992610585.db2.gz HOTWGNHPYAJJHW-GOSISDBHSA-N 2 1 362.518 1.040 20 30 FDEDMP C[C@@H]1C[N@H+](CCCCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)C[C@H](C)O1 ZINC000876731060 992845029 /nfs/dbraw/zinc/84/50/29/992845029.db2.gz NGLRZMDHYQSGEE-YRNRMSPPSA-N 2 1 370.497 1.751 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000876772275 992895228 /nfs/dbraw/zinc/89/52/28/992895228.db2.gz KSIPARONRYGTFP-BHYGNILZSA-N 2 1 351.878 1.862 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000876772275 992895236 /nfs/dbraw/zinc/89/52/36/992895236.db2.gz KSIPARONRYGTFP-BHYGNILZSA-N 2 1 351.878 1.862 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000876784793 992912860 /nfs/dbraw/zinc/91/28/60/992912860.db2.gz KEOQFMUXLYSUMZ-DOTOQJQBSA-N 2 1 350.894 1.783 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000876896671 992957489 /nfs/dbraw/zinc/95/74/89/992957489.db2.gz KLSNHCFZRGFDGD-SJORKVTESA-N 2 1 351.878 1.864 20 30 FDEDMP CC[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@H]1O ZINC000878322069 993906525 /nfs/dbraw/zinc/90/65/25/993906525.db2.gz WFZNGDYGJBNVFQ-FXELSEDVSA-N 2 1 357.498 1.964 20 30 FDEDMP CC[C@@H]1C[N@H+](Cc2cc(C#N)cc(C[NH+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@H]1O ZINC000878322069 993906528 /nfs/dbraw/zinc/90/65/28/993906528.db2.gz WFZNGDYGJBNVFQ-FXELSEDVSA-N 2 1 357.498 1.964 20 30 FDEDMP CC[C@@H]1C[N@@H+](Cc2cc(C#N)cc(C[NH+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@H]1O ZINC000878322069 993906530 /nfs/dbraw/zinc/90/65/30/993906530.db2.gz WFZNGDYGJBNVFQ-FXELSEDVSA-N 2 1 357.498 1.964 20 30 FDEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=[NH2+])Nc3ccccn3)cc2)CC1 ZINC000264077830 997397751 /nfs/dbraw/zinc/39/77/51/997397751.db2.gz HXBQVPHQILDRMH-UHFFFAOYSA-N 2 1 352.442 1.396 20 30 FDEDMP C[C@@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264082294 997398643 /nfs/dbraw/zinc/39/86/43/997398643.db2.gz HUJYGICHUUAXLN-QGZVFWFLSA-N 2 1 359.522 1.568 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1 ZINC000264090022 997399737 /nfs/dbraw/zinc/39/97/37/997399737.db2.gz KSBNUSWYTVZIAF-GOSISDBHSA-N 2 1 357.502 1.698 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000264114000 997403703 /nfs/dbraw/zinc/40/37/03/997403703.db2.gz PNMMQGJHENIHCL-DOTOQJQBSA-N 2 1 360.506 1.195 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000890364615 998915059 /nfs/dbraw/zinc/91/50/59/998915059.db2.gz DXBOGDDKXLZNTO-MJGOQNOKSA-N 2 1 358.486 1.695 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)C1 ZINC000890364615 998915061 /nfs/dbraw/zinc/91/50/61/998915061.db2.gz DXBOGDDKXLZNTO-MJGOQNOKSA-N 2 1 358.486 1.695 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297664 1003775504 /nfs/dbraw/zinc/77/55/04/1003775504.db2.gz OELOBCXTWGYABN-HZMVEIRTSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297664 1003775511 /nfs/dbraw/zinc/77/55/11/1003775511.db2.gz OELOBCXTWGYABN-HZMVEIRTSA-N 2 1 350.507 1.131 20 30 FDEDMP Cc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1C ZINC000931483824 1004200183 /nfs/dbraw/zinc/20/01/83/1004200183.db2.gz HSSGKGPEVRCYCK-UHFFFAOYSA-N 2 1 372.513 1.939 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111031124 1004966470 /nfs/dbraw/zinc/96/64/70/1004966470.db2.gz PXBVGQJDYLBTCV-VQHPVUNQSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111031124 1004966472 /nfs/dbraw/zinc/96/64/72/1004966472.db2.gz PXBVGQJDYLBTCV-VQHPVUNQSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111031124 1004966476 /nfs/dbraw/zinc/96/64/76/1004966476.db2.gz PXBVGQJDYLBTCV-VQHPVUNQSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031124 1004966478 /nfs/dbraw/zinc/96/64/78/1004966478.db2.gz PXBVGQJDYLBTCV-VQHPVUNQSA-N 2 1 364.534 1.377 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=[NH2+])NC[C@H]3CCCO3)cc2)C[C@H](C)O1 ZINC000303263269 1008783959 /nfs/dbraw/zinc/78/39/59/1008783959.db2.gz QUMHEVWGFFZQSE-JTDSTZFVSA-N 2 1 360.502 1.879 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303865997 1009643592 /nfs/dbraw/zinc/64/35/92/1009643592.db2.gz CBEDNAIFWAPNIU-LJQANCHMSA-N 2 1 367.497 1.785 20 30 FDEDMP CC[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@H+]1CCc2ccccc2C1 ZINC000303906564 1009688814 /nfs/dbraw/zinc/68/88/14/1009688814.db2.gz WFDXCDZVCUAYCF-FQEVSTJZSA-N 2 1 373.545 1.450 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccccc2C#N)O1 ZINC000960715570 1011239496 /nfs/dbraw/zinc/23/94/96/1011239496.db2.gz DDKPCFGEQBAIEP-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]2CN(C)Cc2ccccc2C#N)O1 ZINC000960715570 1011239511 /nfs/dbraw/zinc/23/95/11/1011239511.db2.gz DDKPCFGEQBAIEP-LSTHTHJFSA-N 2 1 370.497 1.700 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000557769806 544344613 /nfs/dbraw/zinc/34/46/13/544344613.db2.gz SRESCDMINQZCBQ-IRXDYDNUSA-N 2 1 364.534 1.380 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000328960400 259068825 /nfs/dbraw/zinc/06/88/25/259068825.db2.gz QJGKVACXCBPXNZ-QFUCXCTJSA-N 2 1 372.513 1.256 20 30 FDEDMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333805152 259383632 /nfs/dbraw/zinc/38/36/32/259383632.db2.gz IKMDOWOTUPTIAN-APWZRJJASA-N 2 1 355.486 1.916 20 30 FDEDMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333872845 259388941 /nfs/dbraw/zinc/38/89/41/259388941.db2.gz UWIQQQVGQJHARD-LPHOPBHVSA-N 2 1 355.486 1.916 20 30 FDEDMP CN1CC[NH+](Cc2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2)CC1 ZINC000073078990 522462882 /nfs/dbraw/zinc/46/28/82/522462882.db2.gz WDVONHMHJWJSBB-UHFFFAOYSA-N 2 1 371.529 1.742 20 30 FDEDMP C=CCNC(=O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000081156111 523946443 /nfs/dbraw/zinc/94/64/43/523946443.db2.gz TURJMWCIOCQXMX-UHFFFAOYSA-N 2 1 372.513 1.249 20 30 FDEDMP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158415666 524465453 /nfs/dbraw/zinc/46/54/53/524465453.db2.gz IVJWUEDACPGSOB-RDJZCZTQSA-N 2 1 355.490 1.661 20 30 FDEDMP CN1CCN([C@H]2CCCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000174889753 524781242 /nfs/dbraw/zinc/78/12/42/524781242.db2.gz YEVBRNSNBLFRGP-FQEVSTJZSA-N 2 1 369.513 1.989 20 30 FDEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000174889753 524781251 /nfs/dbraw/zinc/78/12/51/524781251.db2.gz YEVBRNSNBLFRGP-FQEVSTJZSA-N 2 1 369.513 1.989 20 30 FDEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000174889753 524781259 /nfs/dbraw/zinc/78/12/59/524781259.db2.gz YEVBRNSNBLFRGP-FQEVSTJZSA-N 2 1 369.513 1.989 20 30 FDEDMP C[NH+]=C(NCc1cccc2c1OCO2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179080009 525528955 /nfs/dbraw/zinc/52/89/55/525528955.db2.gz UEPWCYCIXCHROF-HNNXBMFYSA-N 2 1 360.458 1.145 20 30 FDEDMP N#Cc1ccccc1CSCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000170908113 525764252 /nfs/dbraw/zinc/76/42/52/525764252.db2.gz XMKQKHHOFGGLCQ-UHFFFAOYSA-N 2 1 361.515 1.418 20 30 FDEDMP COc1ccccc1CNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000170911992 525766852 /nfs/dbraw/zinc/76/68/52/525766852.db2.gz MLHOOLVZVWUPCY-UHFFFAOYSA-N 2 1 368.485 1.447 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1sccc1Br ZINC000170913222 525767321 /nfs/dbraw/zinc/76/73/21/525767321.db2.gz ANQACJWMJRRJEQ-UHFFFAOYSA-N 2 1 361.309 1.637 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)s1 ZINC000279925180 537359245 /nfs/dbraw/zinc/35/92/45/537359245.db2.gz FPJITKMGWQSUBY-LBPRGKRZSA-N 2 1 358.533 1.430 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000293246974 537399754 /nfs/dbraw/zinc/39/97/54/537399754.db2.gz DFKDQVGHPQOYST-UHFFFAOYSA-N 2 1 364.877 1.411 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000293246974 537399758 /nfs/dbraw/zinc/39/97/58/537399758.db2.gz DFKDQVGHPQOYST-UHFFFAOYSA-N 2 1 364.877 1.411 20 30 FDEDMP C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375833851 537778655 /nfs/dbraw/zinc/77/86/55/537778655.db2.gz VNLRQDPIIGPAOT-UXHICEINSA-N 2 1 372.513 1.398 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000377888101 538038065 /nfs/dbraw/zinc/03/80/65/538038065.db2.gz OJGPGOYRIGGXFO-LJQANCHMSA-N 2 1 369.513 1.987 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000560773339 545601475 /nfs/dbraw/zinc/60/14/75/545601475.db2.gz BEOTVVXTSNJJJP-KRWDZBQOSA-N 2 1 364.534 1.380 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C(=O)OC)cc2)CC1 ZINC000584834318 551556566 /nfs/dbraw/zinc/55/65/66/551556566.db2.gz JFEMWGFBIBROAE-GOSISDBHSA-N 2 1 362.470 1.843 20 30 FDEDMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)CCO2 ZINC000592182186 551954828 /nfs/dbraw/zinc/95/48/28/551954828.db2.gz LGRSNMYBFZLZBP-GOSISDBHSA-N 2 1 359.470 1.289 20 30 FDEDMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)CCO2 ZINC000592182186 551954830 /nfs/dbraw/zinc/95/48/30/551954830.db2.gz LGRSNMYBFZLZBP-GOSISDBHSA-N 2 1 359.470 1.289 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000595257031 552506364 /nfs/dbraw/zinc/50/63/64/552506364.db2.gz HFGBPMQKEFDDAY-IBGZPJMESA-N 2 1 369.513 1.869 20 30 FDEDMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000595905886 552631454 /nfs/dbraw/zinc/63/14/54/552631454.db2.gz WYRLEYYJNATFAT-OAHLLOKOSA-N 2 1 350.488 1.991 20 30 FDEDMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)CCO1 ZINC000595905886 552631455 /nfs/dbraw/zinc/63/14/55/552631455.db2.gz WYRLEYYJNATFAT-OAHLLOKOSA-N 2 1 350.488 1.991 20 30 FDEDMP COc1cc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000596605497 552693840 /nfs/dbraw/zinc/69/38/40/552693840.db2.gz UAYXAMXHBPTRTA-HNNXBMFYSA-N 2 1 361.490 1.638 20 30 FDEDMP COc1cc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1C#N ZINC000596605497 552693842 /nfs/dbraw/zinc/69/38/42/552693842.db2.gz UAYXAMXHBPTRTA-HNNXBMFYSA-N 2 1 361.490 1.638 20 30 FDEDMP N#CC1(C[C@@H](O)C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000600722912 553307058 /nfs/dbraw/zinc/30/70/58/553307058.db2.gz RXHWTZHPFZJYQN-RBUKOAKNSA-N 2 1 370.497 1.528 20 30 FDEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)NC[C@@H]1CCCS1 ZINC000261959668 672702436 /nfs/dbraw/zinc/70/24/36/672702436.db2.gz JTCKGYJWQLOPJG-INIZCTEOSA-N 2 1 362.547 1.394 20 30 FDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000264129107 672901971 /nfs/dbraw/zinc/90/19/71/672901971.db2.gz XHKSTVGJTHSUHK-UHFFFAOYSA-N 2 1 352.479 1.119 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000303876843 676543538 /nfs/dbraw/zinc/54/35/38/676543538.db2.gz FBJFOCJLEGUCJM-GJZGRUSLSA-N 2 1 353.511 1.775 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)CC1 ZINC000328977632 676614749 /nfs/dbraw/zinc/61/47/49/676614749.db2.gz QNPSFVDZDZMMGC-YQVWRLOYSA-N 2 1 353.507 1.679 20 30 FDEDMP CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1C[C@@H](C)O ZINC000329759836 676653291 /nfs/dbraw/zinc/65/32/91/676653291.db2.gz PJXZMCLBWPNTEN-CUHOHZIGSA-N 2 1 352.523 1.693 20 30 FDEDMP CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C[C@@H](C)O ZINC000329759836 676653293 /nfs/dbraw/zinc/65/32/93/676653293.db2.gz PJXZMCLBWPNTEN-CUHOHZIGSA-N 2 1 352.523 1.693 20 30 FDEDMP CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C[C@@H](C)O ZINC000329759836 676653295 /nfs/dbraw/zinc/65/32/95/676653295.db2.gz PJXZMCLBWPNTEN-CUHOHZIGSA-N 2 1 352.523 1.693 20 30 FDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329822318 676659222 /nfs/dbraw/zinc/65/92/22/676659222.db2.gz YYVFSKAULIKDEY-NVXWUHKLSA-N 2 1 350.507 1.618 20 30 FDEDMP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330446539 676691110 /nfs/dbraw/zinc/69/11/10/676691110.db2.gz XUZYCBBKXVCALY-BBWFWOEESA-N 2 1 350.507 1.568 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)CN[C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965373 677531829 /nfs/dbraw/zinc/53/18/29/677531829.db2.gz WZAFFHGRULJRRO-VUHPKUFZSA-N 2 1 350.507 1.520 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000369965373 677531830 /nfs/dbraw/zinc/53/18/30/677531830.db2.gz WZAFFHGRULJRRO-VUHPKUFZSA-N 2 1 350.507 1.520 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965373 677531833 /nfs/dbraw/zinc/53/18/33/677531833.db2.gz WZAFFHGRULJRRO-VUHPKUFZSA-N 2 1 350.507 1.520 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369965373 677531834 /nfs/dbraw/zinc/53/18/34/677531834.db2.gz WZAFFHGRULJRRO-VUHPKUFZSA-N 2 1 350.507 1.520 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440991661 682043305 /nfs/dbraw/zinc/04/33/05/682043305.db2.gz XRDFXJGTEPCBHE-UHFFFAOYSA-N 2 1 351.539 1.352 20 30 FDEDMP C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668619189 782971504 /nfs/dbraw/zinc/97/15/04/782971504.db2.gz ZVWVBXKYPNHZHO-QZTJIDSGSA-N 2 1 350.507 1.084 20 30 FDEDMP C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668619189 782971505 /nfs/dbraw/zinc/97/15/05/782971505.db2.gz ZVWVBXKYPNHZHO-QZTJIDSGSA-N 2 1 350.507 1.084 20 30 FDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001104375242 778590573 /nfs/dbraw/zinc/59/05/73/778590573.db2.gz COBYIFRVTXNTCG-HZPDHXFCSA-N 2 1 364.490 1.627 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)O1 ZINC001022276177 779081400 /nfs/dbraw/zinc/08/14/00/779081400.db2.gz BCOJFCNINZNXAP-GMLZMKKNSA-N 2 1 360.433 1.153 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3F)C2)O1 ZINC001022276177 779081405 /nfs/dbraw/zinc/08/14/05/779081405.db2.gz BCOJFCNINZNXAP-GMLZMKKNSA-N 2 1 360.433 1.153 20 30 FDEDMP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467207813 795025672 /nfs/dbraw/zinc/02/56/72/795025672.db2.gz PZVLXFRPCKTPQW-UHFFFAOYSA-N 2 1 361.490 1.219 20 30 FDEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000195522526 796224120 /nfs/dbraw/zinc/22/41/20/796224120.db2.gz KFBDRJHBVPAPIL-LJQANCHMSA-N 2 1 359.518 1.407 20 30 FDEDMP C=CC[C@@]1(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000662685835 806958562 /nfs/dbraw/zinc/95/85/62/806958562.db2.gz YUOWNWNCHDWEPO-XLIONFOSSA-N 2 1 356.470 1.773 20 30 FDEDMP C=CC[C@@]1(C(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CCC[NH2+]1 ZINC000662685835 806958564 /nfs/dbraw/zinc/95/85/64/806958564.db2.gz YUOWNWNCHDWEPO-XLIONFOSSA-N 2 1 356.470 1.773 20 30 FDEDMP C=CC[C@@]1(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754715 803063536 /nfs/dbraw/zinc/06/35/36/803063536.db2.gz UOGBMNYIGOVILM-LPHOPBHVSA-N 2 1 362.543 1.851 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720919 809274357 /nfs/dbraw/zinc/27/43/57/809274357.db2.gz SLWKRLWAXKQWPA-SLFFLAALSA-N 2 1 357.498 1.725 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](CC#Cc3ccc(F)cc3)C2)CC[N@H+]1C ZINC001028549846 810618841 /nfs/dbraw/zinc/61/88/41/810618841.db2.gz BQMRMOOUXQZEQT-IMFGXOCKSA-N 2 1 357.473 1.956 20 30 FDEDMP C[NH+]=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261704506 811301533 /nfs/dbraw/zinc/30/15/33/811301533.db2.gz JMHKJTWWAAXBQX-DVWBAYGPSA-N 2 1 368.525 1.802 20 30 FDEDMP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)nc2)C1 ZINC000328933815 819583108 /nfs/dbraw/zinc/58/31/08/819583108.db2.gz IRVMHKMDUJNCKK-SJORKVTESA-N 2 1 358.490 1.200 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1CC ZINC001087757262 822380981 /nfs/dbraw/zinc/38/09/81/822380981.db2.gz KXBZMCGANKMLNT-JKSUJKDBSA-N 2 1 353.898 1.780 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1CC ZINC001087757262 822380985 /nfs/dbraw/zinc/38/09/85/822380985.db2.gz KXBZMCGANKMLNT-JKSUJKDBSA-N 2 1 353.898 1.780 20 30 FDEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)C[C@H]1C ZINC000329006199 824532373 /nfs/dbraw/zinc/53/23/73/824532373.db2.gz YXXKAQMEAVIBAC-SJORKVTESA-N 2 1 374.533 1.662 20 30 FDEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[C@H]2C1 ZINC000329272089 824708059 /nfs/dbraw/zinc/70/80/59/824708059.db2.gz IKFSIRDBSJUUMN-YSHGAJCASA-N 2 1 364.534 1.694 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cccnc3)CC[C@@H]2C1 ZINC001087998026 825074571 /nfs/dbraw/zinc/07/45/71/825074571.db2.gz NFSJVSGJRVYMQO-AABGKKOBSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cccnc3)CC[C@@H]2C1 ZINC001087998026 825074583 /nfs/dbraw/zinc/07/45/83/825074583.db2.gz NFSJVSGJRVYMQO-AABGKKOBSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3)CC[C@@H]2C1 ZINC001087998026 825074594 /nfs/dbraw/zinc/07/45/94/825074594.db2.gz NFSJVSGJRVYMQO-AABGKKOBSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]2C1 ZINC001087998026 825074607 /nfs/dbraw/zinc/07/46/07/825074607.db2.gz NFSJVSGJRVYMQO-AABGKKOBSA-N 2 1 352.482 1.460 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000329824423 825487295 /nfs/dbraw/zinc/48/72/95/825487295.db2.gz ZYXQZDOWARQWMN-NVXWUHKLSA-N 2 1 360.506 1.320 20 30 FDEDMP O=C(NCc1cccc(-n2ccnc2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000330180062 825708078 /nfs/dbraw/zinc/70/80/78/825708078.db2.gz FSQGWNHKTBXYTM-SFHVURJKSA-N 2 1 369.469 1.940 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)cc1 ZINC001088201286 827444272 /nfs/dbraw/zinc/44/42/72/827444272.db2.gz USTMWKMEWVSYMF-UXHICEINSA-N 2 1 352.482 1.934 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105668099 843754763 /nfs/dbraw/zinc/75/47/63/843754763.db2.gz HLIKSZJSAJMYJZ-VURPSTOHSA-N 2 1 363.546 1.708 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1F ZINC001076574568 848450073 /nfs/dbraw/zinc/45/00/73/848450073.db2.gz JLFHLVNTWSVDEH-PKOBYXMFSA-N 2 1 356.445 1.826 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1F ZINC001076574568 848450080 /nfs/dbraw/zinc/45/00/80/848450080.db2.gz JLFHLVNTWSVDEH-PKOBYXMFSA-N 2 1 356.445 1.826 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4conc4CC)C[C@H]32)CC1 ZINC001076604598 848553420 /nfs/dbraw/zinc/55/34/20/848553420.db2.gz NFUIXVQZSBGPKE-FXAWDEMLSA-N 2 1 370.497 1.615 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@H]4CCCOC4)C[C@H]32)CC1 ZINC001076604592 848553468 /nfs/dbraw/zinc/55/34/68/848553468.db2.gz NCLBVZXLHJDRIK-YZGWKJHDSA-N 2 1 359.514 1.291 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001105945078 864179099 /nfs/dbraw/zinc/17/90/99/864179099.db2.gz KDVGYBFIWSZYAL-YVWKXTFCSA-N 2 1 357.473 1.956 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980366 865890503 /nfs/dbraw/zinc/89/05/03/865890503.db2.gz FRTAJQHFRGMZFQ-AYBZRNKSSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980366 865890517 /nfs/dbraw/zinc/89/05/17/865890517.db2.gz FRTAJQHFRGMZFQ-AYBZRNKSSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088980366 865890555 /nfs/dbraw/zinc/89/05/55/865890555.db2.gz FRTAJQHFRGMZFQ-AYBZRNKSSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088980366 865890578 /nfs/dbraw/zinc/89/05/78/865890578.db2.gz FRTAJQHFRGMZFQ-AYBZRNKSSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000913893296 869935688 /nfs/dbraw/zinc/93/56/88/869935688.db2.gz NTFKAFORZOEVRL-IBGZPJMESA-N 2 1 354.498 2.000 20 30 FDEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083718957 873503039 /nfs/dbraw/zinc/50/30/39/873503039.db2.gz IGOAWNFDPPSYOL-AQNXPRMDSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083718957 873503044 /nfs/dbraw/zinc/50/30/44/873503044.db2.gz IGOAWNFDPPSYOL-AQNXPRMDSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083718957 873503049 /nfs/dbraw/zinc/50/30/49/873503049.db2.gz IGOAWNFDPPSYOL-AQNXPRMDSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083718957 873503058 /nfs/dbraw/zinc/50/30/58/873503058.db2.gz IGOAWNFDPPSYOL-AQNXPRMDSA-N 2 1 370.497 1.342 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001106804251 878051170 /nfs/dbraw/zinc/05/11/70/878051170.db2.gz JGNXRRRFQXRXLK-IAGOWNOFSA-N 2 1 367.453 1.215 20 30 FDEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)c(OC)c1 ZINC000923377638 889049801 /nfs/dbraw/zinc/04/98/01/889049801.db2.gz ADSHYWNRYLVXSN-IAGOWNOFSA-N 2 1 350.459 1.213 20 30 FDEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCO[C@H](C[NH3+])C2)c(OC)c1 ZINC000923377638 889049810 /nfs/dbraw/zinc/04/98/10/889049810.db2.gz ADSHYWNRYLVXSN-IAGOWNOFSA-N 2 1 350.459 1.213 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923390883 889081967 /nfs/dbraw/zinc/08/19/67/889081967.db2.gz YWFBGJWSKFJUNP-JRBPQWBISA-N 2 1 359.470 1.516 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[NH+](Cc3ccccc3)C2)C1 ZINC000923555463 889771232 /nfs/dbraw/zinc/77/12/32/889771232.db2.gz QUHCVZOFVSVQQZ-RBBKRZOGSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[NH+](Cc3ccccc3)C2)C1 ZINC000923555463 889771236 /nfs/dbraw/zinc/77/12/36/889771236.db2.gz QUHCVZOFVSVQQZ-RBBKRZOGSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000923555463 889771246 /nfs/dbraw/zinc/77/12/46/889771246.db2.gz QUHCVZOFVSVQQZ-RBBKRZOGSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)C[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000923555463 889771249 /nfs/dbraw/zinc/77/12/49/889771249.db2.gz QUHCVZOFVSVQQZ-RBBKRZOGSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000921992450 893919751 /nfs/dbraw/zinc/91/97/51/893919751.db2.gz WDLSHTJNCQXBIC-PXNSSMCTSA-N 2 1 354.498 1.904 20 30 FDEDMP C=C(C)CC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273693 902289728 /nfs/dbraw/zinc/28/97/28/902289728.db2.gz MEMKRICHQCOTQE-CEXWTWQISA-N 2 1 361.530 1.844 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107495415 905199664 /nfs/dbraw/zinc/19/96/64/905199664.db2.gz OAGPFDOBFGIKTL-WIYYLYMNSA-N 2 1 361.530 1.871 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579074 905783315 /nfs/dbraw/zinc/78/33/15/905783315.db2.gz RAGYAFOGLMUTPI-SJLPKXTDSA-N 2 1 355.910 1.822 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107579074 905783317 /nfs/dbraw/zinc/78/33/17/905783317.db2.gz RAGYAFOGLMUTPI-SJLPKXTDSA-N 2 1 355.910 1.822 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001107587663 905845851 /nfs/dbraw/zinc/84/58/51/905845851.db2.gz UOBWWPRDICWNAJ-TZIWHRDSSA-N 2 1 361.530 1.729 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326257 906905187 /nfs/dbraw/zinc/90/51/87/906905187.db2.gz VUFBQODZZKTDLA-GUDVDZBRSA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001082326257 906905190 /nfs/dbraw/zinc/90/51/90/906905190.db2.gz VUFBQODZZKTDLA-GUDVDZBRSA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001082326257 906905200 /nfs/dbraw/zinc/90/52/00/906905200.db2.gz VUFBQODZZKTDLA-GUDVDZBRSA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001082326257 906905208 /nfs/dbraw/zinc/90/52/08/906905208.db2.gz VUFBQODZZKTDLA-GUDVDZBRSA-N 2 1 356.470 1.215 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001082561961 908632458 /nfs/dbraw/zinc/63/24/58/908632458.db2.gz CPJJWCSAXSPOEW-DNVCBOLYSA-N 2 1 370.497 1.988 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082590251 908846084 /nfs/dbraw/zinc/84/60/84/908846084.db2.gz LOMSZLKUPPZWLX-TWKYDXJASA-N 2 1 374.460 1.353 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082590251 908846097 /nfs/dbraw/zinc/84/60/97/908846097.db2.gz LOMSZLKUPPZWLX-TWKYDXJASA-N 2 1 374.460 1.353 20 30 FDEDMP C=CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001128006365 909891253 /nfs/dbraw/zinc/89/12/53/909891253.db2.gz RUKGSPCQAIEXIC-HRCADAONSA-N 2 1 360.506 1.105 20 30 FDEDMP C=CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001128006365 909891266 /nfs/dbraw/zinc/89/12/66/909891266.db2.gz RUKGSPCQAIEXIC-HRCADAONSA-N 2 1 360.506 1.105 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3coc(C4CC4)n3)C2)CC1 ZINC001082941046 911016253 /nfs/dbraw/zinc/01/62/53/911016253.db2.gz LLPITXFFAZHQES-DNVCBOLYSA-N 2 1 370.497 1.834 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnc(C)o4)C[C@H]32)CC1 ZINC001084850979 917657011 /nfs/dbraw/zinc/65/70/11/917657011.db2.gz HGKXRMWUUPVVIT-IEBWSBKVSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnc(C)o4)C[C@H]32)CC1 ZINC001084850979 917657014 /nfs/dbraw/zinc/65/70/14/917657014.db2.gz HGKXRMWUUPVVIT-IEBWSBKVSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ocnc4C)C[C@H]32)CC1 ZINC001084851212 917660305 /nfs/dbraw/zinc/66/03/05/917660305.db2.gz SCVUDFXFARNLRP-QZTJIDSGSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ocnc4C)C[C@H]32)CC1 ZINC001084851212 917660314 /nfs/dbraw/zinc/66/03/14/917660314.db2.gz SCVUDFXFARNLRP-QZTJIDSGSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccn4)C[C@H]32)CC1 ZINC001084851363 917660874 /nfs/dbraw/zinc/66/08/74/917660874.db2.gz ZBFOKOPPUMIVTI-UYAOXDASSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]32)CC1 ZINC001084851363 917660879 /nfs/dbraw/zinc/66/08/79/917660879.db2.gz ZBFOKOPPUMIVTI-UYAOXDASSA-N 2 1 352.482 1.460 20 30 FDEDMP CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911309 918248727 /nfs/dbraw/zinc/24/87/27/918248727.db2.gz WZDZQXZOLAIWMP-LSTHTHJFSA-N 2 1 368.481 1.312 20 30 FDEDMP CN1CCO[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911309 918248737 /nfs/dbraw/zinc/24/87/37/918248737.db2.gz WZDZQXZOLAIWMP-LSTHTHJFSA-N 2 1 368.481 1.312 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnn(C)c4)[C@H]3C2)CC1 ZINC001085100672 920915566 /nfs/dbraw/zinc/91/55/66/920915566.db2.gz WBTXTFOEVULJKP-QUCCMNQESA-N 2 1 369.513 1.188 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001085229853 922983072 /nfs/dbraw/zinc/98/30/72/922983072.db2.gz NJKLYIRKBZNYQY-QRVBRYPASA-N 2 1 358.461 1.835 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC001085229853 922983080 /nfs/dbraw/zinc/98/30/80/922983080.db2.gz NJKLYIRKBZNYQY-QRVBRYPASA-N 2 1 358.461 1.835 20 30 FDEDMP C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=S)NCCC[NH+](C)C ZINC000734364956 923259994 /nfs/dbraw/zinc/25/99/94/923259994.db2.gz NBNGCDJGHVGGLF-HNNXBMFYSA-N 2 1 362.547 1.695 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001086400746 927058416 /nfs/dbraw/zinc/05/84/16/927058416.db2.gz VPILZFLMRURJOM-VMUDFCTBSA-N 2 1 362.499 1.323 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001086400746 927058428 /nfs/dbraw/zinc/05/84/28/927058428.db2.gz VPILZFLMRURJOM-VMUDFCTBSA-N 2 1 362.499 1.323 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370716 929392527 /nfs/dbraw/zinc/39/25/27/929392527.db2.gz YYAGOXDBELLHEG-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370716 929392539 /nfs/dbraw/zinc/39/25/39/929392539.db2.gz YYAGOXDBELLHEG-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370716 929392549 /nfs/dbraw/zinc/39/25/49/929392549.db2.gz YYAGOXDBELLHEG-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668919 930094675 /nfs/dbraw/zinc/09/46/75/930094675.db2.gz HJSLGMTVFCMYQT-QYZOEREBSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109668919 930094685 /nfs/dbraw/zinc/09/46/85/930094685.db2.gz HJSLGMTVFCMYQT-QYZOEREBSA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129485191 938440823 /nfs/dbraw/zinc/44/08/23/938440823.db2.gz YYQNMBSUQKPOJH-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130123447 938705417 /nfs/dbraw/zinc/70/54/17/938705417.db2.gz RJVWBIPHVJBVPP-UAGQMJEPSA-N 2 1 357.462 1.179 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590531 939897696 /nfs/dbraw/zinc/89/76/96/939897696.db2.gz VLPKHMXXCKEIRW-UHOSZYNNSA-N 2 1 359.518 1.753 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cncn1C ZINC001131007642 940433763 /nfs/dbraw/zinc/43/37/63/940433763.db2.gz DMPFJZZEFHBOFI-ZACQAIPSSA-N 2 1 366.469 1.102 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313465 940553139 /nfs/dbraw/zinc/55/31/39/940553139.db2.gz SWMSFIUGLYSRPQ-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313465 940553140 /nfs/dbraw/zinc/55/31/40/940553140.db2.gz SWMSFIUGLYSRPQ-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP COc1ccc(C[NH2+]C2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001091035752 948533617 /nfs/dbraw/zinc/53/36/17/948533617.db2.gz FZYTZTFSJHSOMF-WLHONDITSA-N 2 1 370.497 1.891 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001091035891 948534803 /nfs/dbraw/zinc/53/48/03/948534803.db2.gz MNZYCZXKGMQXKO-WLHONDITSA-N 2 1 370.497 1.891 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001091097525 949315395 /nfs/dbraw/zinc/31/53/95/949315395.db2.gz QQGYFHIMQHKYRT-RMZQHLLMSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001091097525 949315420 /nfs/dbraw/zinc/31/54/20/949315420.db2.gz QQGYFHIMQHKYRT-RMZQHLLMSA-N 2 1 356.470 1.262 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC000846446423 951070351 /nfs/dbraw/zinc/07/03/51/951070351.db2.gz KAVSQOSIQWOSTA-UHFFFAOYSA-N 2 1 360.502 1.759 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nc(C)no3)C2)CC1 ZINC001086882120 952913410 /nfs/dbraw/zinc/91/34/10/952913410.db2.gz ATMYBGGFJLNQFC-DOTOQJQBSA-N 2 1 359.474 1.098 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970892 952972800 /nfs/dbraw/zinc/97/28/00/952972800.db2.gz LTGXXIQPQVHPEO-XHSDSOJGSA-N 2 1 351.882 1.151 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086970892 952972802 /nfs/dbraw/zinc/97/28/02/952972802.db2.gz LTGXXIQPQVHPEO-XHSDSOJGSA-N 2 1 351.882 1.151 20 30 FDEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1nccn12 ZINC001092373133 955046408 /nfs/dbraw/zinc/04/64/08/955046408.db2.gz PTAKNIWIAQMYMN-GVDBMIGSSA-N 2 1 357.502 1.761 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092689590 956196343 /nfs/dbraw/zinc/19/63/43/956196343.db2.gz NIWBXCBZSMGSDI-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092689590 956196349 /nfs/dbraw/zinc/19/63/49/956196349.db2.gz NIWBXCBZSMGSDI-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092689590 956196352 /nfs/dbraw/zinc/19/63/52/956196352.db2.gz NIWBXCBZSMGSDI-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC001092689590 956196355 /nfs/dbraw/zinc/19/63/55/956196355.db2.gz NIWBXCBZSMGSDI-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133057 957617762 /nfs/dbraw/zinc/61/77/62/957617762.db2.gz NPUAMYIAIIHYLQ-CRAIPNDOSA-N 2 1 370.472 1.977 20 30 FDEDMP N#Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@H](O)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001186058053 964287912 /nfs/dbraw/zinc/28/79/12/964287912.db2.gz PONLVVWSIDPSCA-FHWLQOOXSA-N 2 1 356.470 1.223 20 30 FDEDMP N#Cc1ccc(CN(C(=O)C[N@H+]2CC[C@H](O)C2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001186058053 964287919 /nfs/dbraw/zinc/28/79/19/964287919.db2.gz PONLVVWSIDPSCA-FHWLQOOXSA-N 2 1 356.470 1.223 20 30 FDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC12CCOCC2 ZINC001186383568 964489713 /nfs/dbraw/zinc/48/97/13/964489713.db2.gz ZHZPNCYKRSOHPP-CEXWTWQISA-N 2 1 361.530 1.585 20 30 FDEDMP CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852871883 967678043 /nfs/dbraw/zinc/67/80/43/967678043.db2.gz DECFWWUSYFOSSS-RTWAWAEBSA-N 2 1 369.509 1.785 20 30 FDEDMP CC[C@@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852871883 967678051 /nfs/dbraw/zinc/67/80/51/967678051.db2.gz DECFWWUSYFOSSS-RTWAWAEBSA-N 2 1 369.509 1.785 20 30 FDEDMP C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191469306 968523903 /nfs/dbraw/zinc/52/39/03/968523903.db2.gz VDFPYASHKJTWAN-QRVBRYPASA-N 2 1 365.518 1.365 20 30 FDEDMP C=CCCC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191469305 968524138 /nfs/dbraw/zinc/52/41/38/968524138.db2.gz VDFPYASHKJTWAN-OTWHNJEPSA-N 2 1 365.518 1.365 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000855404833 970338867 /nfs/dbraw/zinc/33/88/67/970338867.db2.gz XPNQIAIUGMTKCJ-HXUWFJFHSA-N 2 1 355.482 1.215 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001199071398 973891951 /nfs/dbraw/zinc/89/19/51/973891951.db2.gz UULZUXAHMXCOCB-RTBURBONSA-N 2 1 356.470 1.096 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCCCC3)C2)cc1 ZINC001199071398 973891960 /nfs/dbraw/zinc/89/19/60/973891960.db2.gz UULZUXAHMXCOCB-RTBURBONSA-N 2 1 356.470 1.096 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)CC1 ZINC000847483393 975707826 /nfs/dbraw/zinc/70/78/26/975707826.db2.gz AHZNSTRSFCCJFM-HXUWFJFHSA-N 2 1 373.545 1.381 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000849075413 977304398 /nfs/dbraw/zinc/30/43/98/977304398.db2.gz CXBOJLOIHZDCAL-NRFANRHFSA-N 2 1 373.545 1.396 20 30 FDEDMP C[C@@H]1CC[N@@H+](CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849086894 977307963 /nfs/dbraw/zinc/30/79/63/977307963.db2.gz DUNMRZYQLRVYIU-HUUCEWRRSA-N 2 1 351.495 1.209 20 30 FDEDMP C[N@H+]1CCC[C@H](CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849115602 977327779 /nfs/dbraw/zinc/32/77/79/977327779.db2.gz AOIPCIYVIQQHFS-HZPDHXFCSA-N 2 1 365.522 1.599 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883713971 982410239 /nfs/dbraw/zinc/41/02/39/982410239.db2.gz ZFEZOZARAXDONJ-UHFFFAOYSA-N 2 1 352.523 1.474 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000883713971 982410243 /nfs/dbraw/zinc/41/02/43/982410243.db2.gz ZFEZOZARAXDONJ-UHFFFAOYSA-N 2 1 352.523 1.474 20 30 FDEDMP Cc1ccccc1C[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884179140 982951600 /nfs/dbraw/zinc/95/16/00/982951600.db2.gz GDVHRASDIDVKOJ-SCCNAQOGSA-N 2 1 352.482 1.779 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000360890813 988194840 /nfs/dbraw/zinc/19/48/40/988194840.db2.gz UBOXUCWZFGOVNS-MOPGFXCFSA-N 2 1 364.534 1.658 20 30 FDEDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CCN1C1CC[NH+](C)CC1 ZINC000362639469 988693617 /nfs/dbraw/zinc/69/36/17/988693617.db2.gz KOUOZMGRELNGMI-KRWDZBQOSA-N 2 1 369.513 1.987 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000363398646 989164085 /nfs/dbraw/zinc/16/40/85/989164085.db2.gz MQNBVCRZAGFOMY-LJQANCHMSA-N 2 1 354.498 1.755 20 30 FDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)C1 ZINC000363540292 989279944 /nfs/dbraw/zinc/27/99/44/989279944.db2.gz UTKNHWHJBDYAND-IBGZPJMESA-N 2 1 355.486 1.599 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000297016325 989461496 /nfs/dbraw/zinc/46/14/96/989461496.db2.gz VUEJGIZIQBNAPM-HXUWFJFHSA-N 2 1 372.513 1.532 20 30 FDEDMP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)C[C@H](C)O1 ZINC000372610123 991268533 /nfs/dbraw/zinc/26/85/33/991268533.db2.gz KYJAQGKGNKYJIH-IRXDYDNUSA-N 2 1 362.518 1.760 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000876782342 992910403 /nfs/dbraw/zinc/91/04/03/992910403.db2.gz PFAUGMKAFOOZCF-INIZCTEOSA-N 2 1 351.882 1.180 20 30 FDEDMP C[NH+]1CCCN(Cc2cc(C#N)cc(CN3CCC[N@H+](C)CC3)c2)CC1 ZINC000877934594 993561199 /nfs/dbraw/zinc/56/11/99/993561199.db2.gz DSYIWZJCNXHBHA-UHFFFAOYSA-N 2 1 355.530 1.833 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000890363095 998913899 /nfs/dbraw/zinc/91/38/99/998913899.db2.gz KICWQPLQKKJRRE-UXHICEINSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000890363095 998913901 /nfs/dbraw/zinc/91/39/01/998913901.db2.gz KICWQPLQKKJRRE-UXHICEINSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000890363095 998913906 /nfs/dbraw/zinc/91/39/06/998913906.db2.gz KICWQPLQKKJRRE-UXHICEINSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000890363095 998913908 /nfs/dbraw/zinc/91/39/08/998913908.db2.gz KICWQPLQKKJRRE-UXHICEINSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862346 999069814 /nfs/dbraw/zinc/06/98/14/999069814.db2.gz LFOPRRLQBIYKMV-MLHJIOFPSA-N 2 1 374.529 1.110 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001110862346 999069816 /nfs/dbraw/zinc/06/98/16/999069816.db2.gz LFOPRRLQBIYKMV-MLHJIOFPSA-N 2 1 374.529 1.110 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)ccc1N1CCOCC1 ZINC000267449774 999338543 /nfs/dbraw/zinc/33/85/43/999338543.db2.gz RCXXQJNLFDBIHU-QGZVFWFLSA-N 2 1 363.481 1.551 20 30 FDEDMP CC[C@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)OCCc2ccccc21 ZINC000290763290 1000157498 /nfs/dbraw/zinc/15/74/98/1000157498.db2.gz ZPEHABKLFVYBKD-HXUWFJFHSA-N 2 1 360.502 1.491 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)s1 ZINC001111277254 1002468974 /nfs/dbraw/zinc/46/89/74/1002468974.db2.gz IOSLDHMHVBRHLO-XYPHTWIQSA-N 2 1 362.499 1.419 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)s1 ZINC001111277254 1002468983 /nfs/dbraw/zinc/46/89/83/1002468983.db2.gz IOSLDHMHVBRHLO-XYPHTWIQSA-N 2 1 362.499 1.419 20 30 FDEDMP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483404 1004200007 /nfs/dbraw/zinc/20/00/07/1004200007.db2.gz CETLYIUPBODHDD-ZDUSSCGKSA-N 2 1 364.877 1.927 20 30 FDEDMP C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001111021529 1004655965 /nfs/dbraw/zinc/65/59/65/1004655965.db2.gz XNQMFXYHUCMYNN-MANSERQUSA-N 2 1 374.529 1.250 20 30 FDEDMP C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000303903375 1009685237 /nfs/dbraw/zinc/68/52/37/1009685237.db2.gz UJRJRMSYMZKRFT-JKSUJKDBSA-N 2 1 367.538 1.974 20 30 FDEDMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303982250 1009793143 /nfs/dbraw/zinc/79/31/43/1009793143.db2.gz QAHVVQPGLXLSCF-SFHVURJKSA-N 2 1 363.481 1.373 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1c(OC)cc(OC)cc1OC ZINC000304746166 1010476740 /nfs/dbraw/zinc/47/67/40/1010476740.db2.gz FQQHHMGYSCYDMO-CQSZACIVSA-N 2 1 364.490 1.644 20 30 FDEDMP C[C@@H](CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)C[NH+]1CCOCC1 ZINC000304761548 1010489758 /nfs/dbraw/zinc/48/97/58/1010489758.db2.gz UNWDQLVYJIVTNR-ZDUSSCGKSA-N 2 1 374.407 1.958 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000304771494 1010490114 /nfs/dbraw/zinc/49/01/14/1010490114.db2.gz AELRDUNWEHPDRX-GOSISDBHSA-N 2 1 358.465 1.943 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512288089 538970899 /nfs/dbraw/zinc/97/08/99/538970899.db2.gz YGVVPGJURQRGSZ-LAUBAEHRSA-N 2 1 370.497 1.985 20 30 FDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000539506230 540967983 /nfs/dbraw/zinc/96/79/83/540967983.db2.gz ZXTRYZOIIWESBP-UHFFFAOYSA-N 2 1 354.458 1.238 20 30 FDEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000548786923 542778649 /nfs/dbraw/zinc/77/86/49/542778649.db2.gz GMCYIDCUORPLDL-OALUTQOASA-N 2 1 353.470 1.917 20 30 FDEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000548786923 542778653 /nfs/dbraw/zinc/77/86/53/542778653.db2.gz GMCYIDCUORPLDL-OALUTQOASA-N 2 1 353.470 1.917 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000550784022 543173631 /nfs/dbraw/zinc/17/36/31/543173631.db2.gz OPJZDMCICUVMKL-KRWDZBQOSA-N 2 1 364.534 1.381 20 30 FDEDMP Cn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180116093 258362192 /nfs/dbraw/zinc/36/21/92/258362192.db2.gz XRPLEAGSAZUAIV-UHFFFAOYSA-N 2 1 353.470 1.895 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000553330674 543610991 /nfs/dbraw/zinc/61/09/91/543610991.db2.gz PPCUBQTUFIJNJW-MSOLQXFVSA-N 2 1 362.518 1.227 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000368417931 260180156 /nfs/dbraw/zinc/18/01/56/260180156.db2.gz VFJXWIUXFFHSGV-LGYWMIHWSA-N 2 1 373.497 1.777 20 30 FDEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1ccc2c(c1)OCO2 ZINC000088802509 524475357 /nfs/dbraw/zinc/47/53/57/524475357.db2.gz AGOQBUAGEXMLTK-INIZCTEOSA-N 2 1 361.490 1.058 20 30 FDEDMP CN1CCN([C@H]2CCCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000174889387 524780134 /nfs/dbraw/zinc/78/01/34/524780134.db2.gz OLUGFMUUDAVAHM-PMACEKPBSA-N 2 1 372.513 1.400 20 30 FDEDMP C[NH+]1CCN([C@H]2CCCC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000174889387 524780143 /nfs/dbraw/zinc/78/01/43/524780143.db2.gz OLUGFMUUDAVAHM-PMACEKPBSA-N 2 1 372.513 1.400 20 30 FDEDMP C[NH+]1CCN([C@H]2CCCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000174889387 524780153 /nfs/dbraw/zinc/78/01/53/524780153.db2.gz OLUGFMUUDAVAHM-PMACEKPBSA-N 2 1 372.513 1.400 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000181636019 525883535 /nfs/dbraw/zinc/88/35/35/525883535.db2.gz OVHSFOMTMLONOZ-HXUWFJFHSA-N 2 1 372.513 1.703 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000181635987 525883664 /nfs/dbraw/zinc/88/36/64/525883664.db2.gz OVHSFOMTMLONOZ-FQEVSTJZSA-N 2 1 372.513 1.703 20 30 FDEDMP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330415577 537655927 /nfs/dbraw/zinc/65/59/27/537655927.db2.gz CYGNPWSFZROWNX-IYBDPMFKSA-N 2 1 368.522 1.494 20 30 FDEDMP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330415577 537655930 /nfs/dbraw/zinc/65/59/30/537655930.db2.gz CYGNPWSFZROWNX-IYBDPMFKSA-N 2 1 368.522 1.494 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000418793747 537768105 /nfs/dbraw/zinc/76/81/05/537768105.db2.gz QFDDAPPESXQYTO-OALUTQOASA-N 2 1 355.486 1.903 20 30 FDEDMP CCOC(=O)[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000472750959 538694115 /nfs/dbraw/zinc/69/41/15/538694115.db2.gz MBWHHDCFOXJPQU-ROUUACIJSA-N 2 1 364.486 1.540 20 30 FDEDMP CCOC(=O)[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](C(=O)OCC)C2)C1 ZINC000472750959 538694121 /nfs/dbraw/zinc/69/41/21/538694121.db2.gz MBWHHDCFOXJPQU-ROUUACIJSA-N 2 1 364.486 1.540 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COc2c(OC)cccc2OC)CC1 ZINC000578186395 550737005 /nfs/dbraw/zinc/73/70/05/550737005.db2.gz KPBGIEPOKAVYOU-MRXNPFEDSA-N 2 1 350.459 1.684 20 30 FDEDMP C[C@@H]1COCC[N@@H+]1C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930614 551033485 /nfs/dbraw/zinc/03/34/85/551033485.db2.gz QSKDFFNUTXVANL-APWZRJJASA-N 2 1 359.470 1.483 20 30 FDEDMP C[C@@H]1COCC[N@H+]1C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930614 551033486 /nfs/dbraw/zinc/03/34/86/551033486.db2.gz QSKDFFNUTXVANL-APWZRJJASA-N 2 1 359.470 1.483 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccsc1C#N ZINC000593539641 552126997 /nfs/dbraw/zinc/12/69/97/552126997.db2.gz DMZUTNRAUXEUQO-AWEZNQCLSA-N 2 1 370.544 1.656 20 30 FDEDMP CN1CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439714 552311091 /nfs/dbraw/zinc/31/10/91/552311091.db2.gz UNCOPWORDADFLJ-PMACEKPBSA-N 2 1 371.529 1.893 20 30 FDEDMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439714 552311093 /nfs/dbraw/zinc/31/10/93/552311093.db2.gz UNCOPWORDADFLJ-PMACEKPBSA-N 2 1 371.529 1.893 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439714 552311094 /nfs/dbraw/zinc/31/10/94/552311094.db2.gz UNCOPWORDADFLJ-PMACEKPBSA-N 2 1 371.529 1.893 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000594444676 552311849 /nfs/dbraw/zinc/31/18/49/552311849.db2.gz BIMZMMKONBQGFR-RTBURBONSA-N 2 1 358.486 1.805 20 30 FDEDMP C[C@@H]1C[NH+](C/C=C/C[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)N1CC#N ZINC000602847403 553650209 /nfs/dbraw/zinc/65/02/09/553650209.db2.gz BBDAPSDMMULINR-MCBGNAOOSA-N 2 1 358.534 1.379 20 30 FDEDMP C[C@@H]1C[NH+](C/C=C/C[N@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)C[C@H](C)N1CC#N ZINC000602847403 553650210 /nfs/dbraw/zinc/65/02/10/553650210.db2.gz BBDAPSDMMULINR-MCBGNAOOSA-N 2 1 358.534 1.379 20 30 FDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C1 ZINC000610988666 554591207 /nfs/dbraw/zinc/59/12/07/554591207.db2.gz JSYIIZKITCDZOP-WOJBJXKFSA-N 2 1 372.513 1.204 20 30 FDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C1 ZINC000610988666 554591209 /nfs/dbraw/zinc/59/12/09/554591209.db2.gz JSYIIZKITCDZOP-WOJBJXKFSA-N 2 1 372.513 1.204 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(c2nc(CC)ns2)CC1 ZINC000261829529 672679804 /nfs/dbraw/zinc/67/98/04/672679804.db2.gz VHFCZZUAFRUKCZ-AWEZNQCLSA-N 2 1 365.551 1.140 20 30 FDEDMP CO[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000267393837 673299168 /nfs/dbraw/zinc/29/91/68/673299168.db2.gz DLZQYTUWUINFRY-INIZCTEOSA-N 2 1 354.882 1.654 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000267470481 673307183 /nfs/dbraw/zinc/30/71/83/673307183.db2.gz XQVFYVXGISXETQ-AWEZNQCLSA-N 2 1 350.463 1.076 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000303876847 676543524 /nfs/dbraw/zinc/54/35/24/676543524.db2.gz FBJFOCJLEGUCJM-LSDHHAIUSA-N 2 1 353.511 1.775 20 30 FDEDMP CC[C@H](C)[N@@H+](C)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000304987183 676544775 /nfs/dbraw/zinc/54/47/75/676544775.db2.gz BQPFWISESIHUBM-LSDHHAIUSA-N 2 1 353.511 1.597 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(N3CCNC3=O)CC2)CC1 ZINC000329315946 676632726 /nfs/dbraw/zinc/63/27/26/676632726.db2.gz SAPCZDNUFJONBK-UHFFFAOYSA-N 2 1 351.495 1.510 20 30 FDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330169707 676676563 /nfs/dbraw/zinc/67/65/63/676676563.db2.gz DIMBEDFCWARKKG-NXHRZFHOSA-N 2 1 352.523 1.742 20 30 FDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)CCCC#N ZINC000370264146 677558651 /nfs/dbraw/zinc/55/86/51/677558651.db2.gz GGFFTOBMCBOFOG-UHFFFAOYSA-N 2 1 370.563 1.748 20 30 FDEDMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC000971561111 777642836 /nfs/dbraw/zinc/64/28/36/777642836.db2.gz SFQSRTWGPOHAFV-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC000971561111 777642840 /nfs/dbraw/zinc/64/28/40/777642840.db2.gz SFQSRTWGPOHAFV-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000971561111 777642847 /nfs/dbraw/zinc/64/28/47/777642847.db2.gz SFQSRTWGPOHAFV-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)O1 ZINC001027966417 807129253 /nfs/dbraw/zinc/12/92/53/807129253.db2.gz PNIKTVJOYUIQLB-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001027966417 807129257 /nfs/dbraw/zinc/12/92/57/807129257.db2.gz PNIKTVJOYUIQLB-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)O1 ZINC001027966417 807129264 /nfs/dbraw/zinc/12/92/64/807129264.db2.gz PNIKTVJOYUIQLB-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)O1 ZINC001027966417 807129267 /nfs/dbraw/zinc/12/92/67/807129267.db2.gz PNIKTVJOYUIQLB-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C[NH+]=C(NCCn1c(C)nc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261719479 810301117 /nfs/dbraw/zinc/30/11/17/810301117.db2.gz IEJRASKFEUQABY-RDTXWAMCSA-N 2 1 354.502 1.992 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028547544 810613320 /nfs/dbraw/zinc/61/33/20/810613320.db2.gz XXYINLBAATYOLM-JQHSSLGASA-N 2 1 369.937 1.924 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001028547544 810613324 /nfs/dbraw/zinc/61/33/24/810613324.db2.gz XXYINLBAATYOLM-JQHSSLGASA-N 2 1 369.937 1.924 20 30 FDEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262184742 811407525 /nfs/dbraw/zinc/40/75/25/811407525.db2.gz GBVLZMPJGFMGPL-MRXNPFEDSA-N 2 1 353.474 1.164 20 30 FDEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262184742 811407529 /nfs/dbraw/zinc/40/75/29/811407529.db2.gz GBVLZMPJGFMGPL-MRXNPFEDSA-N 2 1 353.474 1.164 20 30 FDEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000262184741 811407834 /nfs/dbraw/zinc/40/78/34/811407834.db2.gz GBVLZMPJGFMGPL-INIZCTEOSA-N 2 1 353.474 1.164 20 30 FDEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000262184741 811407844 /nfs/dbraw/zinc/40/78/44/811407844.db2.gz GBVLZMPJGFMGPL-INIZCTEOSA-N 2 1 353.474 1.164 20 30 FDEDMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000330475179 819616239 /nfs/dbraw/zinc/61/62/39/819616239.db2.gz FMUSEBWHCKIYLN-INIZCTEOSA-N 2 1 367.538 1.117 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)CC[N@@H+]1C ZINC001075812179 821497370 /nfs/dbraw/zinc/49/73/70/821497370.db2.gz YYOQLCMGRNRMAJ-LTCOOKNTSA-N 2 1 358.511 1.993 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)CC[N@H+]1C ZINC001075812179 821497372 /nfs/dbraw/zinc/49/73/72/821497372.db2.gz YYOQLCMGRNRMAJ-LTCOOKNTSA-N 2 1 358.511 1.993 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)CC[NH+]1C ZINC001075812179 821497376 /nfs/dbraw/zinc/49/73/76/821497376.db2.gz YYOQLCMGRNRMAJ-LTCOOKNTSA-N 2 1 358.511 1.993 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)CC[NH+]1C ZINC001075812179 821497381 /nfs/dbraw/zinc/49/73/81/821497381.db2.gz YYOQLCMGRNRMAJ-LTCOOKNTSA-N 2 1 358.511 1.993 20 30 FDEDMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973077 824305234 /nfs/dbraw/zinc/30/52/34/824305234.db2.gz IIOCJYZYQSDAPF-JTDSTZFVSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973077 824305241 /nfs/dbraw/zinc/30/52/41/824305241.db2.gz IIOCJYZYQSDAPF-JTDSTZFVSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973077 824305248 /nfs/dbraw/zinc/30/52/48/824305248.db2.gz IIOCJYZYQSDAPF-JTDSTZFVSA-N 2 1 355.486 1.594 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]2C1 ZINC001087973077 824305252 /nfs/dbraw/zinc/30/52/52/824305252.db2.gz IIOCJYZYQSDAPF-JTDSTZFVSA-N 2 1 355.486 1.594 20 30 FDEDMP Cn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)CC2)cn1 ZINC000329330644 824740161 /nfs/dbraw/zinc/74/01/61/824740161.db2.gz LUKHRZHGBHKUKT-QZTJIDSGSA-N 2 1 360.506 1.469 20 30 FDEDMP Cn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)CC2)cn1 ZINC000329330644 824740169 /nfs/dbraw/zinc/74/01/69/824740169.db2.gz LUKHRZHGBHKUKT-QZTJIDSGSA-N 2 1 360.506 1.469 20 30 FDEDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cn1 ZINC000329330644 824740174 /nfs/dbraw/zinc/74/01/74/824740174.db2.gz LUKHRZHGBHKUKT-QZTJIDSGSA-N 2 1 360.506 1.469 20 30 FDEDMP Cn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cn1 ZINC000329330644 824740182 /nfs/dbraw/zinc/74/01/82/824740182.db2.gz LUKHRZHGBHKUKT-QZTJIDSGSA-N 2 1 360.506 1.469 20 30 FDEDMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000329529299 824854961 /nfs/dbraw/zinc/85/49/61/824854961.db2.gz VDSPQURSASXXPE-SFNKJDCFSA-N 2 1 374.533 1.886 20 30 FDEDMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329529299 824854966 /nfs/dbraw/zinc/85/49/66/824854966.db2.gz VDSPQURSASXXPE-SFNKJDCFSA-N 2 1 374.533 1.886 20 30 FDEDMP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330031186 825606735 /nfs/dbraw/zinc/60/67/35/825606735.db2.gz SUXCPIPBTAYNQX-OAHLLOKOSA-N 2 1 360.462 1.638 20 30 FDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1c(C)nn(C)c1-n1cc[nH+]c1C ZINC000330031186 825606741 /nfs/dbraw/zinc/60/67/41/825606741.db2.gz SUXCPIPBTAYNQX-OAHLLOKOSA-N 2 1 360.462 1.638 20 30 FDEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000330195683 825724584 /nfs/dbraw/zinc/72/45/84/825724584.db2.gz PHXWNRJZPVITBF-CTNGQTDRSA-N 2 1 373.545 1.791 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000303784701 827925506 /nfs/dbraw/zinc/92/55/06/827925506.db2.gz PQMQMRSYPOGKNF-UHFFFAOYSA-N 3 1 373.545 1.799 20 30 FDEDMP O[C@@H]1CC[C@H]2C[N@@H+](CC#CC[NH+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700359 830424871 /nfs/dbraw/zinc/42/48/71/830424871.db2.gz NSGGCHZGCCPGOQ-WHVWYTALSA-N 2 1 360.542 1.956 20 30 FDEDMP O[C@@H]1CC[C@H]2C[NH+](CC#CC[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700359 830424875 /nfs/dbraw/zinc/42/48/75/830424875.db2.gz NSGGCHZGCCPGOQ-WHVWYTALSA-N 2 1 360.542 1.956 20 30 FDEDMP O[C@@H]1CC[C@H]2C[NH+](CC#CC[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700359 830424882 /nfs/dbraw/zinc/42/48/82/830424882.db2.gz NSGGCHZGCCPGOQ-WHVWYTALSA-N 2 1 360.542 1.956 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105642075 842302165 /nfs/dbraw/zinc/30/21/65/842302165.db2.gz HMMOCUBUUJEPLT-HNBVOPMISA-N 2 1 358.486 1.181 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105672790 845206971 /nfs/dbraw/zinc/20/69/71/845206971.db2.gz DGPYXOGLRRXPTP-LFGUQSLTSA-N 2 1 351.535 1.869 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)s1 ZINC001076467964 848195995 /nfs/dbraw/zinc/19/59/95/848195995.db2.gz XGDUPJGDDZOQRH-WMLDXEAASA-N 2 1 356.495 1.748 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)s1 ZINC001076467964 848195997 /nfs/dbraw/zinc/19/59/97/848195997.db2.gz XGDUPJGDDZOQRH-WMLDXEAASA-N 2 1 356.495 1.748 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980367 865888533 /nfs/dbraw/zinc/88/85/33/865888533.db2.gz FRTAJQHFRGMZFQ-SUMDDJOVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001088980367 865888555 /nfs/dbraw/zinc/88/85/55/865888555.db2.gz FRTAJQHFRGMZFQ-SUMDDJOVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001088980367 865888578 /nfs/dbraw/zinc/88/85/78/865888578.db2.gz FRTAJQHFRGMZFQ-SUMDDJOVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001088980367 865888600 /nfs/dbraw/zinc/88/86/00/865888600.db2.gz FRTAJQHFRGMZFQ-SUMDDJOVSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)[C@@H]2C)CC1 ZINC001089060170 866391007 /nfs/dbraw/zinc/39/10/07/866391007.db2.gz XIJZXBJEZMUQGN-UTKZUKDTSA-N 2 1 364.493 1.982 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3scnc3C)[C@@H]2C)CC1 ZINC001089060003 866391135 /nfs/dbraw/zinc/39/11/35/866391135.db2.gz MVVVEOCWCUIANQ-WBVHZDCISA-N 2 1 360.527 1.876 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499599022 871650292 /nfs/dbraw/zinc/65/02/92/871650292.db2.gz FORFNVGOPJTEMV-LNLFQRSKSA-N 2 1 365.518 1.364 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497491 872570856 /nfs/dbraw/zinc/57/08/56/872570856.db2.gz OQXPREUNMTWYGT-FGTMMUONSA-N 2 1 353.507 1.125 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](OC)C1 ZINC001212497491 872570866 /nfs/dbraw/zinc/57/08/66/872570866.db2.gz OQXPREUNMTWYGT-FGTMMUONSA-N 2 1 353.507 1.125 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497491 872570879 /nfs/dbraw/zinc/57/08/79/872570879.db2.gz OQXPREUNMTWYGT-FGTMMUONSA-N 2 1 353.507 1.125 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@H](OC)C1 ZINC001212497491 872570891 /nfs/dbraw/zinc/57/08/91/872570891.db2.gz OQXPREUNMTWYGT-FGTMMUONSA-N 2 1 353.507 1.125 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001106249967 874131667 /nfs/dbraw/zinc/13/16/67/874131667.db2.gz VBACHIFFVQALSY-QWFCFKBJSA-N 2 1 361.530 1.727 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249849 874140125 /nfs/dbraw/zinc/14/01/25/874140125.db2.gz SQSYFLGAENQTPQ-KZNAEPCWSA-N 2 1 364.534 1.236 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106309878 874739683 /nfs/dbraw/zinc/73/96/83/874739683.db2.gz GJKQFFDIMQBDDM-VURPSTOHSA-N 2 1 369.509 1.441 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106309878 874739694 /nfs/dbraw/zinc/73/96/94/874739694.db2.gz GJKQFFDIMQBDDM-VURPSTOHSA-N 2 1 369.509 1.441 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC001106479751 875605444 /nfs/dbraw/zinc/60/54/44/875605444.db2.gz PDTZSRLRLDTJRD-RTBURBONSA-N 2 1 363.546 1.975 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2C2CCOCC2)CC1 ZINC000917097668 882966943 /nfs/dbraw/zinc/96/69/43/882966943.db2.gz FLJFAOIPXOSNBH-GOSISDBHSA-N 2 1 350.507 1.579 20 30 FDEDMP C=CCN1CC[C@@H]([NH+](C)CCCC[N@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000282112537 876961582 /nfs/dbraw/zinc/96/15/82/876961582.db2.gz XCBRHFAVDFQVEC-QZTJIDSGSA-N 2 1 362.518 1.204 20 30 FDEDMP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000999191262 912245638 /nfs/dbraw/zinc/24/56/38/912245638.db2.gz WRHXNXPBSSJDEF-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000919052961 885252560 /nfs/dbraw/zinc/25/25/60/885252560.db2.gz WXNFJDXDUBSMIP-IEBWSBKVSA-N 2 1 364.534 1.520 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001129032765 885369705 /nfs/dbraw/zinc/36/97/05/885369705.db2.gz TZHMACHPQHLSKX-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001129032765 885369724 /nfs/dbraw/zinc/36/97/24/885369724.db2.gz TZHMACHPQHLSKX-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001129032765 885369743 /nfs/dbraw/zinc/36/97/43/885369743.db2.gz TZHMACHPQHLSKX-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129078789 885685871 /nfs/dbraw/zinc/68/58/71/885685871.db2.gz FPNAFPDNLHEMCV-MSOLQXFVSA-N 2 1 369.473 1.117 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129078789 885685892 /nfs/dbraw/zinc/68/58/92/885685892.db2.gz FPNAFPDNLHEMCV-MSOLQXFVSA-N 2 1 369.473 1.117 20 30 FDEDMP C#CCN(C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000923118122 888080259 /nfs/dbraw/zinc/08/02/59/888080259.db2.gz GYLDQRSPNNIXMR-ZACQAIPSSA-N 2 1 350.507 1.223 20 30 FDEDMP C#CCN(C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000923118122 888080276 /nfs/dbraw/zinc/08/02/76/888080276.db2.gz GYLDQRSPNNIXMR-ZACQAIPSSA-N 2 1 350.507 1.223 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CC)cc3)C[C@H]2O)CC1 ZINC001078226951 898427623 /nfs/dbraw/zinc/42/76/23/898427623.db2.gz BDJSCSQTHUAFRY-NHCUHLMSSA-N 2 1 369.509 1.256 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)c(C)c3)C[C@H]2O)CC1 ZINC001078227136 898429039 /nfs/dbraw/zinc/42/90/39/898429039.db2.gz KPBILXCRHGZBDE-NHCUHLMSSA-N 2 1 369.509 1.310 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083125809 901858235 /nfs/dbraw/zinc/85/82/35/901858235.db2.gz PVDNXSXXRXQMIU-QGZVFWFLSA-N 2 1 367.501 1.786 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083125809 901858239 /nfs/dbraw/zinc/85/82/39/901858239.db2.gz PVDNXSXXRXQMIU-QGZVFWFLSA-N 2 1 367.501 1.786 20 30 FDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079134924 902001255 /nfs/dbraw/zinc/00/12/55/902001255.db2.gz ZSDDNOCTVWXIJW-NJDAHSKKSA-N 2 1 369.509 1.588 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001079134924 902001259 /nfs/dbraw/zinc/00/12/59/902001259.db2.gz ZSDDNOCTVWXIJW-NJDAHSKKSA-N 2 1 369.509 1.588 20 30 FDEDMP C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCCN2C)C1 ZINC001079138200 902017695 /nfs/dbraw/zinc/01/76/95/902017695.db2.gz SXCATONJXWSASL-VAMGGRTRSA-N 2 1 355.482 1.178 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227359 902239283 /nfs/dbraw/zinc/23/92/83/902239283.db2.gz PJXPNICSYGJNMI-GVDBMIGSSA-N 2 1 367.921 1.773 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079227359 902239300 /nfs/dbraw/zinc/23/93/00/902239300.db2.gz PJXPNICSYGJNMI-GVDBMIGSSA-N 2 1 367.921 1.773 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)O1 ZINC000995959820 902792088 /nfs/dbraw/zinc/79/20/88/902792088.db2.gz SJSZJOLAJUTESW-LZQZEXGQSA-N 2 1 370.497 1.604 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(C#N)c3)C(C)(C)C2)O1 ZINC000995959820 902792099 /nfs/dbraw/zinc/79/20/99/902792099.db2.gz SJSZJOLAJUTESW-LZQZEXGQSA-N 2 1 370.497 1.604 20 30 FDEDMP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cc1C#N ZINC000996605339 904381537 /nfs/dbraw/zinc/38/15/37/904381537.db2.gz DDQCRFAEKGCFOU-DNVCBOLYSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)COC[C@@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552166 905551694 /nfs/dbraw/zinc/55/16/94/905551694.db2.gz HSMXDSUCSDRAKH-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCOCC)CC3)CC1 ZINC001107643663 906220280 /nfs/dbraw/zinc/22/02/80/906220280.db2.gz QJEAQBAAQREBCN-TZIWHRDSSA-N 2 1 361.530 1.729 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081125588 907177581 /nfs/dbraw/zinc/17/75/81/907177581.db2.gz HYQINMCVDYYIMT-XUVXKRRUSA-N 2 1 367.497 1.584 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2OC)CC1 ZINC001082383231 907376540 /nfs/dbraw/zinc/37/65/40/907376540.db2.gz NISMSFIZINDWPC-NHCUHLMSSA-N 2 1 369.509 1.390 20 30 FDEDMP C#CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001127888622 907494186 /nfs/dbraw/zinc/49/41/86/907494186.db2.gz UAWDINKUWCKLDS-GBESFXJTSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001127888622 907494220 /nfs/dbraw/zinc/49/42/20/907494220.db2.gz UAWDINKUWCKLDS-GBESFXJTSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001082567837 908705175 /nfs/dbraw/zinc/70/51/75/908705175.db2.gz FPTLSIXYEQXHJY-ZMYBRWDISA-N 2 1 361.436 1.999 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)cc2F)C1 ZINC001082567837 908705183 /nfs/dbraw/zinc/70/51/83/908705183.db2.gz FPTLSIXYEQXHJY-ZMYBRWDISA-N 2 1 361.436 1.999 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082590426 908847333 /nfs/dbraw/zinc/84/73/33/908847333.db2.gz WCZDKFVQXQCIPN-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082590426 908847351 /nfs/dbraw/zinc/84/73/51/908847351.db2.gz WCZDKFVQXQCIPN-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3C#N)CC2)O1 ZINC000997861611 909837268 /nfs/dbraw/zinc/83/72/68/909837268.db2.gz YJHAUCJNXLGCTJ-OXQOHEQNSA-N 2 1 370.497 1.606 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3C#N)CC2)O1 ZINC000997861611 909837276 /nfs/dbraw/zinc/83/72/76/909837276.db2.gz YJHAUCJNXLGCTJ-OXQOHEQNSA-N 2 1 370.497 1.606 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084775735 917000228 /nfs/dbraw/zinc/00/02/28/917000228.db2.gz RZIIULOEWZOENB-XUVXKRRUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084775735 917000238 /nfs/dbraw/zinc/00/02/38/917000238.db2.gz RZIIULOEWZOENB-XUVXKRRUSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084775735 917000252 /nfs/dbraw/zinc/00/02/52/917000252.db2.gz RZIIULOEWZOENB-XUVXKRRUSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cn(C)nc4C)C[C@H]32)CC1 ZINC001084851220 917660355 /nfs/dbraw/zinc/66/03/55/917660355.db2.gz SGUNHPSOGJGDBU-UYAOXDASSA-N 2 1 369.513 1.106 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cn(C)nc4C)C[C@H]32)CC1 ZINC001084851220 917660362 /nfs/dbraw/zinc/66/03/62/917660362.db2.gz SGUNHPSOGJGDBU-UYAOXDASSA-N 2 1 369.513 1.106 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085158887 921876941 /nfs/dbraw/zinc/87/69/41/921876941.db2.gz ADRZFMQNFZKEFR-GUDVDZBRSA-N 2 1 356.470 1.406 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085158887 921876951 /nfs/dbraw/zinc/87/69/51/921876951.db2.gz ADRZFMQNFZKEFR-GUDVDZBRSA-N 2 1 356.470 1.406 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843676 930577342 /nfs/dbraw/zinc/57/73/42/930577342.db2.gz XDTXAWVZJVJSLF-QYZOEREBSA-N 2 1 365.518 1.413 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCOCC1)C2 ZINC001109843676 930577345 /nfs/dbraw/zinc/57/73/45/930577345.db2.gz XDTXAWVZJVJSLF-QYZOEREBSA-N 2 1 365.518 1.413 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001086625262 938511725 /nfs/dbraw/zinc/51/17/25/938511725.db2.gz RASJNWQTOPKUJO-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001086625262 938511727 /nfs/dbraw/zinc/51/17/27/938511727.db2.gz RASJNWQTOPKUJO-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001086625262 938511730 /nfs/dbraw/zinc/51/17/30/938511730.db2.gz RASJNWQTOPKUJO-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001086625262 938511733 /nfs/dbraw/zinc/51/17/33/938511733.db2.gz RASJNWQTOPKUJO-ZCNNSNEGSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892177 938542939 /nfs/dbraw/zinc/54/29/39/938542939.db2.gz LKJSHIIZTGPTID-ZACQAIPSSA-N 2 1 369.473 1.360 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130033716 938634230 /nfs/dbraw/zinc/63/42/30/938634230.db2.gz BNXWYQZOTLCFRE-UAGQMJEPSA-N 2 1 357.462 1.188 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140255 938712076 /nfs/dbraw/zinc/71/20/76/938712076.db2.gz SGIDJXXURDXEHP-QYZOEREBSA-N 2 1 368.485 1.499 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131017795 940438516 /nfs/dbraw/zinc/43/85/16/940438516.db2.gz LYYAEPZAKUCFEI-KURKYZTESA-N 2 1 359.518 1.755 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1c1cncn1C ZINC001131038304 940466488 /nfs/dbraw/zinc/46/64/88/940466488.db2.gz KTROGIICHXSCSN-RTBURBONSA-N 2 1 371.529 1.592 20 30 FDEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001131522451 940705582 /nfs/dbraw/zinc/70/55/82/940705582.db2.gz IHVAIMPFAAJDQW-OWYHZJEWSA-N 2 1 365.518 1.267 20 30 FDEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001131522451 940705587 /nfs/dbraw/zinc/70/55/87/940705587.db2.gz IHVAIMPFAAJDQW-OWYHZJEWSA-N 2 1 365.518 1.267 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001086720886 941620674 /nfs/dbraw/zinc/62/06/74/941620674.db2.gz UAUWRKSRWQGKHE-SXLOBPIMSA-N 2 1 371.529 1.418 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001086720886 941620676 /nfs/dbraw/zinc/62/06/76/941620676.db2.gz UAUWRKSRWQGKHE-SXLOBPIMSA-N 2 1 371.529 1.418 20 30 FDEDMP C#CC[N@H+](C)CCCNc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000814928956 941740252 /nfs/dbraw/zinc/74/02/52/941740252.db2.gz DAVBELMIRHAKIW-UHFFFAOYSA-N 2 1 352.486 1.749 20 30 FDEDMP C#CC[N@@H+](C)CCCNc1nc2ccccc2nc1N1CC[NH+](C)CC1 ZINC000814928956 941740256 /nfs/dbraw/zinc/74/02/56/941740256.db2.gz DAVBELMIRHAKIW-UHFFFAOYSA-N 2 1 352.486 1.749 20 30 FDEDMP C#CCNC(=O)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000817274928 942673126 /nfs/dbraw/zinc/67/31/26/942673126.db2.gz SUUPSEUMIREVLC-UHFFFAOYSA-N 2 1 355.482 1.480 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195581067 971050731 /nfs/dbraw/zinc/05/07/31/971050731.db2.gz MSAMNZQZHPFIBM-GUDVDZBRSA-N 2 1 365.518 1.147 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195581067 971050733 /nfs/dbraw/zinc/05/07/33/971050733.db2.gz MSAMNZQZHPFIBM-GUDVDZBRSA-N 2 1 365.518 1.147 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001195581067 971050743 /nfs/dbraw/zinc/05/07/43/971050743.db2.gz MSAMNZQZHPFIBM-GUDVDZBRSA-N 2 1 365.518 1.147 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001195581067 971050755 /nfs/dbraw/zinc/05/07/55/971050755.db2.gz MSAMNZQZHPFIBM-GUDVDZBRSA-N 2 1 365.518 1.147 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000823650355 945889114 /nfs/dbraw/zinc/88/91/14/945889114.db2.gz ZKDKXNAJPPPBJF-VQTJNVASSA-N 2 1 354.498 1.857 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000823650355 945889129 /nfs/dbraw/zinc/88/91/29/945889129.db2.gz ZKDKXNAJPPPBJF-VQTJNVASSA-N 2 1 354.498 1.857 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000823650355 945889145 /nfs/dbraw/zinc/88/91/45/945889145.db2.gz ZKDKXNAJPPPBJF-VQTJNVASSA-N 2 1 354.498 1.857 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086995641 953068192 /nfs/dbraw/zinc/06/81/92/953068192.db2.gz OFXVWXFCKIRDNL-GVDBMIGSSA-N 2 1 367.925 1.643 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091867855 953617783 /nfs/dbraw/zinc/61/77/83/953617783.db2.gz DAWGAYVKUSDMJP-IXUXSNFZSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091867855 953617789 /nfs/dbraw/zinc/61/77/89/953617789.db2.gz DAWGAYVKUSDMJP-IXUXSNFZSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091867855 953617797 /nfs/dbraw/zinc/61/77/97/953617797.db2.gz DAWGAYVKUSDMJP-IXUXSNFZSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091867855 953617799 /nfs/dbraw/zinc/61/77/99/953617799.db2.gz DAWGAYVKUSDMJP-IXUXSNFZSA-N 2 1 365.905 1.382 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cc(C)no4)C[C@@]3(C)C2)CC1 ZINC001092300239 954749209 /nfs/dbraw/zinc/74/92/09/954749209.db2.gz SQDPDRZUEUFZMW-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504033 955275883 /nfs/dbraw/zinc/27/58/83/955275883.db2.gz HJTKMOXBFOMCMO-POAQFYNOSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504033 955275889 /nfs/dbraw/zinc/27/58/89/955275889.db2.gz HJTKMOXBFOMCMO-POAQFYNOSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504033 955275892 /nfs/dbraw/zinc/27/58/92/955275892.db2.gz HJTKMOXBFOMCMO-POAQFYNOSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504265 955276000 /nfs/dbraw/zinc/27/60/00/955276000.db2.gz JWLJYUXTLBKXFW-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504265 955276003 /nfs/dbraw/zinc/27/60/03/955276003.db2.gz JWLJYUXTLBKXFW-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504265 955276007 /nfs/dbraw/zinc/27/60/07/955276007.db2.gz JWLJYUXTLBKXFW-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522406 955314972 /nfs/dbraw/zinc/31/49/72/955314972.db2.gz OQGHGPIAORCPCL-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522406 955314983 /nfs/dbraw/zinc/31/49/83/955314983.db2.gz OQGHGPIAORCPCL-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092522406 955314993 /nfs/dbraw/zinc/31/49/93/955314993.db2.gz OQGHGPIAORCPCL-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092522406 955315003 /nfs/dbraw/zinc/31/50/03/955315003.db2.gz OQGHGPIAORCPCL-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2conc2CC)C[C@H]1C ZINC001092688860 956194779 /nfs/dbraw/zinc/19/47/79/956194779.db2.gz DHEZKYRBQMPYEA-MDZRGWNJSA-N 2 1 358.486 1.519 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2conc2CC)C[C@H]1C ZINC001092688860 956194788 /nfs/dbraw/zinc/19/47/88/956194788.db2.gz DHEZKYRBQMPYEA-MDZRGWNJSA-N 2 1 358.486 1.519 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2conc2CC)C[C@H]1C ZINC001092688860 956194790 /nfs/dbraw/zinc/19/47/90/956194790.db2.gz DHEZKYRBQMPYEA-MDZRGWNJSA-N 2 1 358.486 1.519 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2conc2CC)C[C@H]1C ZINC001092688860 956194797 /nfs/dbraw/zinc/19/47/97/956194797.db2.gz DHEZKYRBQMPYEA-MDZRGWNJSA-N 2 1 358.486 1.519 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC001092689326 956195935 /nfs/dbraw/zinc/19/59/35/956195935.db2.gz IRCPFOCDUMXQFT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cc(C)ncn2)C[C@H]1C ZINC001092689326 956195951 /nfs/dbraw/zinc/19/59/51/956195951.db2.gz IRCPFOCDUMXQFT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1C ZINC001092689326 956195954 /nfs/dbraw/zinc/19/59/54/956195954.db2.gz IRCPFOCDUMXQFT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cc(C)ncn2)C[C@H]1C ZINC001092689326 956195962 /nfs/dbraw/zinc/19/59/62/956195962.db2.gz IRCPFOCDUMXQFT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193856 957752438 /nfs/dbraw/zinc/75/24/38/957752438.db2.gz OHSMHNZXCLZOPK-BHIYHBOVSA-N 2 1 357.473 1.813 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193856 957752442 /nfs/dbraw/zinc/75/24/42/957752442.db2.gz OHSMHNZXCLZOPK-BHIYHBOVSA-N 2 1 357.473 1.813 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193856 957752450 /nfs/dbraw/zinc/75/24/50/957752450.db2.gz OHSMHNZXCLZOPK-BHIYHBOVSA-N 2 1 357.473 1.813 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193952 957753497 /nfs/dbraw/zinc/75/34/97/957753497.db2.gz QYTPIQWSCGNSFJ-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193952 957753501 /nfs/dbraw/zinc/75/35/01/957753501.db2.gz QYTPIQWSCGNSFJ-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193952 957753508 /nfs/dbraw/zinc/75/35/08/957753508.db2.gz QYTPIQWSCGNSFJ-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C(C)C)C[C@H]1O ZINC001093465562 958203553 /nfs/dbraw/zinc/20/35/53/958203553.db2.gz KNJUOYMJXUCBLY-REHHDOPLSA-N 2 1 361.530 1.318 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001093833148 958928235 /nfs/dbraw/zinc/92/82/35/958928235.db2.gz USUFNVFEZBAKQE-MDZRGWNJSA-N 2 1 370.522 1.901 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)s2)[C@H](C)C1 ZINC001093833148 958928243 /nfs/dbraw/zinc/92/82/43/958928243.db2.gz USUFNVFEZBAKQE-MDZRGWNJSA-N 2 1 370.522 1.901 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccc(C)n2)[C@H](C)C1 ZINC001093833212 958928770 /nfs/dbraw/zinc/92/87/70/958928770.db2.gz YWTXSCPMYXRKOP-NXHRZFHOSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccc(C)n2)[C@H](C)C1 ZINC001093833212 958928772 /nfs/dbraw/zinc/92/87/72/958928772.db2.gz YWTXSCPMYXRKOP-NXHRZFHOSA-N 2 1 355.486 1.067 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149728 958993477 /nfs/dbraw/zinc/99/34/77/958993477.db2.gz XDOJMVJYYGZCCN-BDXSIMOUSA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149728 958993485 /nfs/dbraw/zinc/99/34/85/958993485.db2.gz XDOJMVJYYGZCCN-BDXSIMOUSA-N 2 1 362.518 1.275 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094219069 960035446 /nfs/dbraw/zinc/03/54/46/960035446.db2.gz CHBQCTBLWGZTSZ-FHLIZLRMSA-N 2 1 358.461 1.833 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1 ZINC001094232093 960137652 /nfs/dbraw/zinc/13/76/52/960137652.db2.gz MIJYZBRCVRCMSW-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1 ZINC001094232093 960137656 /nfs/dbraw/zinc/13/76/56/960137656.db2.gz MIJYZBRCVRCMSW-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnn(C)c1)CC2 ZINC001094436813 960481366 /nfs/dbraw/zinc/48/13/66/960481366.db2.gz JVZVIUQUVRHIQU-QKNQBKEWSA-N 2 1 369.513 1.379 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnn(C)c1)CC2 ZINC001094436813 960481375 /nfs/dbraw/zinc/48/13/75/960481375.db2.gz JVZVIUQUVRHIQU-QKNQBKEWSA-N 2 1 369.513 1.379 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cnn(C)c1)CC2 ZINC001094436813 960481380 /nfs/dbraw/zinc/48/13/80/960481380.db2.gz JVZVIUQUVRHIQU-QKNQBKEWSA-N 2 1 369.513 1.379 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cnn(C)c1)CC2 ZINC001094436813 960481389 /nfs/dbraw/zinc/48/13/89/960481389.db2.gz JVZVIUQUVRHIQU-QKNQBKEWSA-N 2 1 369.513 1.379 20 30 FDEDMP COCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172973056 961858794 /nfs/dbraw/zinc/85/87/94/961858794.db2.gz FDRCIXBMIMERKL-SJORKVTESA-N 2 1 366.506 1.978 20 30 FDEDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+](C3CCC(C)(C#N)CC3)CC[C@@H]2C1 ZINC001173594659 962469804 /nfs/dbraw/zinc/46/98/04/962469804.db2.gz JIEBWQURVGGHQU-BOHSKOPMSA-N 2 1 362.518 1.570 20 30 FDEDMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+](C3CCC(C)(C#N)CC3)CC[C@@H]2C1 ZINC001173594659 962469819 /nfs/dbraw/zinc/46/98/19/962469819.db2.gz JIEBWQURVGGHQU-BOHSKOPMSA-N 2 1 362.518 1.570 20 30 FDEDMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+](C3CCC(C)(C#N)CC3)CC[C@@H]2C1 ZINC001173594659 962469833 /nfs/dbraw/zinc/46/98/33/962469833.db2.gz JIEBWQURVGGHQU-BOHSKOPMSA-N 2 1 362.518 1.570 20 30 FDEDMP C[NH+]1CCN([C@H](CNC(=O)C#CC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000852872159 967678712 /nfs/dbraw/zinc/67/87/12/967678712.db2.gz ISRQFUYPJPMUFG-QGZVFWFLSA-N 2 1 360.527 1.156 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190319181 967732380 /nfs/dbraw/zinc/73/23/80/967732380.db2.gz YHFJLXJQPQFLOK-OKZBNKHCSA-N 2 1 362.518 1.086 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378907 980599701 /nfs/dbraw/zinc/59/97/01/980599701.db2.gz KRJPKURJGBZQML-FQEVSTJZSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378907 980599702 /nfs/dbraw/zinc/59/97/02/980599702.db2.gz KRJPKURJGBZQML-FQEVSTJZSA-N 2 1 369.509 1.617 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CC3(C#N)CCC3)CC2)CC1 ZINC000886065011 985856180 /nfs/dbraw/zinc/85/61/80/985856180.db2.gz NCUHYMOWTVJCCK-SFHVURJKSA-N 2 1 362.518 1.307 20 30 FDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)C1 ZINC000363416046 989179608 /nfs/dbraw/zinc/17/96/08/989179608.db2.gz AVCAKMRAGRNSCX-MOPGFXCFSA-N 2 1 358.486 1.010 20 30 FDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)C1 ZINC000363416046 989179611 /nfs/dbraw/zinc/17/96/11/989179611.db2.gz AVCAKMRAGRNSCX-MOPGFXCFSA-N 2 1 358.486 1.010 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370649256 989917965 /nfs/dbraw/zinc/91/79/65/989917965.db2.gz CUZGKMQFHUXXQL-UHFFFAOYSA-N 2 1 370.497 1.986 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOc1ccccc1 ZINC001095556381 993441770 /nfs/dbraw/zinc/44/17/70/993441770.db2.gz OSNDRDDKAIBPQP-HZEGPAAWSA-N 2 1 367.493 1.885 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCOc1ccccc1 ZINC001095556381 993441795 /nfs/dbraw/zinc/44/17/95/993441795.db2.gz OSNDRDDKAIBPQP-HZEGPAAWSA-N 2 1 367.493 1.885 20 30 FDEDMP [NH2+]=C(NCCCc1c[nH]c2ccc(F)cc12)NCCC[NH+]1CCOCC1 ZINC000283761765 999761432 /nfs/dbraw/zinc/76/14/32/999761432.db2.gz HTNYGRUXDHGYCB-UHFFFAOYSA-N 2 1 361.465 1.866 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000291026027 1000166420 /nfs/dbraw/zinc/16/64/20/1000166420.db2.gz WPYSELQORJPDEX-MRXNPFEDSA-N 2 1 363.481 1.279 20 30 FDEDMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCC#CC[NH+](C)C)cc2)CC1 ZINC000930004354 1002726086 /nfs/dbraw/zinc/72/60/86/1002726086.db2.gz FUHHFHPQQNYIKF-UHFFFAOYSA-N 2 1 371.485 1.151 20 30 FDEDMP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)cc1C#N ZINC001110980191 1002755827 /nfs/dbraw/zinc/75/58/27/1002755827.db2.gz UMGSASUYBTZOTR-KURKYZTESA-N 2 1 356.470 1.740 20 30 FDEDMP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CC[NH+](C)C)C3)cc1C#N ZINC001110980191 1002755839 /nfs/dbraw/zinc/75/58/39/1002755839.db2.gz UMGSASUYBTZOTR-KURKYZTESA-N 2 1 356.470 1.740 20 30 FDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000246525834 1007137242 /nfs/dbraw/zinc/13/72/42/1007137242.db2.gz JGQHIVSVMKMHFC-CQSZACIVSA-N 2 1 353.470 1.988 20 30 FDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000246525834 1007137249 /nfs/dbraw/zinc/13/72/49/1007137249.db2.gz JGQHIVSVMKMHFC-CQSZACIVSA-N 2 1 353.470 1.988 20 30 FDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)CC1 ZINC000303869558 1009644947 /nfs/dbraw/zinc/64/49/47/1009644947.db2.gz DWJXBYWVPMYOCR-HNNXBMFYSA-N 2 1 363.506 1.704 20 30 FDEDMP C[C@@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)CN1CC[NH+](C)CC1 ZINC000303897393 1009681965 /nfs/dbraw/zinc/68/19/65/1009681965.db2.gz VAXKENTYLNQPOT-HNNXBMFYSA-N 2 1 361.490 1.458 20 30 FDEDMP CCN(CC)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1F ZINC000304757620 1010477540 /nfs/dbraw/zinc/47/75/40/1010477540.db2.gz OZUAPHUHBLMKFU-UHFFFAOYSA-N 2 1 365.497 1.799 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000779654249 1010661077 /nfs/dbraw/zinc/66/10/77/1010661077.db2.gz NVBVOXOCRXPKCI-HNNXBMFYSA-N 2 1 370.413 1.716 20 30 FDEDMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000779654249 1010661081 /nfs/dbraw/zinc/66/10/81/1010661081.db2.gz NVBVOXOCRXPKCI-HNNXBMFYSA-N 2 1 370.413 1.716 20 30 FDEDMP CC#CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000961377979 1012305371 /nfs/dbraw/zinc/30/53/71/1012305371.db2.gz JIFBSDKEAXMGHJ-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000961377979 1012305388 /nfs/dbraw/zinc/30/53/88/1012305388.db2.gz JIFBSDKEAXMGHJ-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000961377979 1012305401 /nfs/dbraw/zinc/30/54/01/1012305401.db2.gz JIFBSDKEAXMGHJ-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP CC#CC[NH+]1CCC[C@@H](C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000961377979 1012305410 /nfs/dbraw/zinc/30/54/10/1012305410.db2.gz JIFBSDKEAXMGHJ-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000517024951 539343258 /nfs/dbraw/zinc/34/32/58/539343258.db2.gz MDLVOABXSOKOKV-GOSISDBHSA-N 2 1 373.497 1.941 20 30 FDEDMP C[N@H+]1CCC[C@@]2(CCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000528512725 539764784 /nfs/dbraw/zinc/76/47/84/539764784.db2.gz MXJHKOAHMCCNNN-OAQYLSRUSA-N 2 1 351.450 1.704 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000275244874 181269492 /nfs/dbraw/zinc/26/94/92/181269492.db2.gz OCELZUOOYCGSNX-UHFFFAOYSA-N 2 1 355.486 1.234 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000275244874 181269494 /nfs/dbraw/zinc/26/94/94/181269494.db2.gz OCELZUOOYCGSNX-UHFFFAOYSA-N 2 1 355.486 1.234 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CC1 ZINC000286186128 183008347 /nfs/dbraw/zinc/00/83/47/183008347.db2.gz RATSCJYNWZWVCT-UHFFFAOYSA-N 2 1 355.486 1.281 20 30 FDEDMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[NH+]1CCSCC1 ZINC000131240638 173195423 /nfs/dbraw/zinc/19/54/23/173195423.db2.gz OCZPPWGIXSVDMA-MRXNPFEDSA-N 2 1 360.527 1.886 20 30 FDEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000374999553 261243473 /nfs/dbraw/zinc/24/34/73/261243473.db2.gz QVQNZAYDCZZMGM-UHFFFAOYSA-N 2 1 372.469 1.046 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000118834538 525553735 /nfs/dbraw/zinc/55/37/35/525553735.db2.gz XFUNQKHKUQHMAC-SFHVURJKSA-N 2 1 355.486 1.599 20 30 FDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000154558546 525572226 /nfs/dbraw/zinc/57/22/26/525572226.db2.gz SPLVZVOMQJEORM-SFHVURJKSA-N 2 1 360.527 1.886 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CC)CC2)CC1 ZINC000106263940 525683967 /nfs/dbraw/zinc/68/39/67/525683967.db2.gz DXTAKWSMTBTHQM-UHFFFAOYSA-N 2 1 365.566 1.744 20 30 FDEDMP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107370983 525877948 /nfs/dbraw/zinc/87/79/48/525877948.db2.gz SZYJWKZYSHDZRP-SFTDATJTSA-N 2 1 373.541 1.867 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266612790 536909434 /nfs/dbraw/zinc/90/94/34/536909434.db2.gz INCBSRRBPDGNIT-SJLPKXTDSA-N 2 1 358.486 1.841 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000363740590 537300335 /nfs/dbraw/zinc/30/03/35/537300335.db2.gz SIXHSOATEMXBRJ-UHFFFAOYSA-N 2 1 369.513 1.230 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000363740590 537300340 /nfs/dbraw/zinc/30/03/40/537300340.db2.gz SIXHSOATEMXBRJ-UHFFFAOYSA-N 2 1 369.513 1.230 20 30 FDEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N[C@H](C)COC)CC2)cs1 ZINC000304739211 537598468 /nfs/dbraw/zinc/59/84/68/537598468.db2.gz BDERUMGANSTAAW-CYBMUJFWSA-N 2 1 353.536 1.857 20 30 FDEDMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000330225663 537651696 /nfs/dbraw/zinc/65/16/96/537651696.db2.gz OHHLUMYKQFVYAS-KURKYZTESA-N 2 1 350.507 1.448 20 30 FDEDMP C[NH+](C)CCOCCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000471645042 538530002 /nfs/dbraw/zinc/53/00/02/538530002.db2.gz DFNAZNWTUHODMX-UHFFFAOYSA-N 2 1 373.501 1.354 20 30 FDEDMP CCOC(=O)[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000472750958 538692953 /nfs/dbraw/zinc/69/29/53/538692953.db2.gz MBWHHDCFOXJPQU-QZTJIDSGSA-N 2 1 364.486 1.540 20 30 FDEDMP CCOC(=O)[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](C(=O)OCC)C2)C1 ZINC000472750958 538692961 /nfs/dbraw/zinc/69/29/61/538692961.db2.gz MBWHHDCFOXJPQU-QZTJIDSGSA-N 2 1 364.486 1.540 20 30 FDEDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000563140044 546422157 /nfs/dbraw/zinc/42/21/57/546422157.db2.gz AZRQFNHUDKWOHH-RBUKOAKNSA-N 2 1 361.486 1.175 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000567009944 547962364 /nfs/dbraw/zinc/96/23/64/547962364.db2.gz HTBYWIFGUIVPGN-KRWDZBQOSA-N 2 1 357.458 1.007 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000567009944 547962367 /nfs/dbraw/zinc/96/23/67/547962367.db2.gz HTBYWIFGUIVPGN-KRWDZBQOSA-N 2 1 357.458 1.007 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000568743996 548660465 /nfs/dbraw/zinc/66/04/65/548660465.db2.gz URFHORXJOCUKTK-UHFFFAOYSA-N 2 1 372.513 1.996 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCOCc2ccc(C#N)cc2)CC1 ZINC000568743996 548660470 /nfs/dbraw/zinc/66/04/70/548660470.db2.gz URFHORXJOCUKTK-UHFFFAOYSA-N 2 1 372.513 1.996 20 30 FDEDMP CN(C(=O)c1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000592167998 551952722 /nfs/dbraw/zinc/95/27/22/551952722.db2.gz SAGKFZYHGCTTGJ-MSOLQXFVSA-N 2 1 371.485 1.812 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)CC1 ZINC000592481743 552000043 /nfs/dbraw/zinc/00/00/43/552000043.db2.gz PZSIETBGSNFFBX-GOSISDBHSA-N 2 1 352.523 1.683 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593882347 552216472 /nfs/dbraw/zinc/21/64/72/552216472.db2.gz INFIGDPDQPEWEU-IBGZPJMESA-N 2 1 356.470 1.360 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593882347 552216473 /nfs/dbraw/zinc/21/64/73/552216473.db2.gz INFIGDPDQPEWEU-IBGZPJMESA-N 2 1 356.470 1.360 20 30 FDEDMP Cc1cc(N2C[C@H]3CC[N@H+](C)[C@H]3C2)c(C#N)c(N2C[C@@H]3CC[NH+](C)[C@@H]3C2)n1 ZINC000596262164 552669276 /nfs/dbraw/zinc/66/92/76/552669276.db2.gz AWQSXZXEENSOLC-GIYDNNGJSA-N 2 1 366.513 1.542 20 30 FDEDMP Cc1cc(N2C[C@H]3CC[NH+](C)[C@H]3C2)c(C#N)c(N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)n1 ZINC000596262164 552669277 /nfs/dbraw/zinc/66/92/77/552669277.db2.gz AWQSXZXEENSOLC-GIYDNNGJSA-N 3 1 366.513 1.542 20 30 FDEDMP Cc1cc(N2C[C@H]3CC[NH+](C)[C@H]3C2)c(C#N)c(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000596262164 552669278 /nfs/dbraw/zinc/66/92/78/552669278.db2.gz AWQSXZXEENSOLC-GIYDNNGJSA-N 3 1 366.513 1.542 20 30 FDEDMP N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000600722910 553307208 /nfs/dbraw/zinc/30/72/08/553307208.db2.gz RXHWTZHPFZJYQN-OALUTQOASA-N 2 1 370.497 1.528 20 30 FDEDMP C[N@H+]1CCC[C@H](CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120865 671492074 /nfs/dbraw/zinc/49/20/74/671492074.db2.gz JPPHHTLIJGZIBB-CABCVRRESA-N 2 1 351.495 1.209 20 30 FDEDMP CCc1nsc(N2CCN(C(NCCn3cc[nH+]c3C)=[NH+]C)CC2)n1 ZINC000261717138 672657441 /nfs/dbraw/zinc/65/74/41/672657441.db2.gz HXKHFVCHWCXKEF-UHFFFAOYSA-N 2 1 362.507 1.003 20 30 FDEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N(C)Cc1cc(Cl)cn1C ZINC000262023073 672713575 /nfs/dbraw/zinc/71/35/75/672713575.db2.gz ZEFHDWFTYGBYGW-INIZCTEOSA-N 2 1 354.930 1.322 20 30 FDEDMP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)cc1OC ZINC000303787824 676543173 /nfs/dbraw/zinc/54/31/73/676543173.db2.gz SWXHFUFGFHFUIQ-HNNXBMFYSA-N 2 1 350.463 1.787 20 30 FDEDMP COc1ccc(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000303880591 676543455 /nfs/dbraw/zinc/54/34/55/676543455.db2.gz KIBHMLASJUISTF-CYBMUJFWSA-N 2 1 353.898 1.959 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1csc(N2CCCC2)n1 ZINC000304756542 676544444 /nfs/dbraw/zinc/54/44/44/676544444.db2.gz NTGJTTCJVIGRNR-HNNXBMFYSA-N 2 1 350.536 1.674 20 30 FDEDMP CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC[N@H+]1C[C@H](C)O ZINC000329759837 676653423 /nfs/dbraw/zinc/65/34/23/676653423.db2.gz PJXZMCLBWPNTEN-RZBXZUARSA-N 2 1 352.523 1.693 20 30 FDEDMP CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC[NH+]1C[C@H](C)O ZINC000329759837 676653425 /nfs/dbraw/zinc/65/34/25/676653425.db2.gz PJXZMCLBWPNTEN-RZBXZUARSA-N 2 1 352.523 1.693 20 30 FDEDMP CC[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC[NH+]1C[C@H](C)O ZINC000329759837 676653426 /nfs/dbraw/zinc/65/34/26/676653426.db2.gz PJXZMCLBWPNTEN-RZBXZUARSA-N 2 1 352.523 1.693 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC[N@H+]1C ZINC000329805282 676657891 /nfs/dbraw/zinc/65/78/91/676657891.db2.gz MWQPEWBUWAWILW-NVXWUHKLSA-N 2 1 351.539 1.531 20 30 FDEDMP CNC(=O)C[NH+]1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000329842232 676660230 /nfs/dbraw/zinc/66/02/30/676660230.db2.gz NSIAPFOIFIOXFL-CQSZACIVSA-N 2 1 353.511 1.613 20 30 FDEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330215624 676679090 /nfs/dbraw/zinc/67/90/90/676679090.db2.gz HEKXZVREUIDGNI-JQHSSLGASA-N 2 1 352.523 1.552 20 30 FDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000451602981 682904992 /nfs/dbraw/zinc/90/49/92/682904992.db2.gz XYGVLFRYKSVMPL-SJORKVTESA-N 2 1 351.491 1.071 20 30 FDEDMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969705233 770694123 /nfs/dbraw/zinc/69/41/23/770694123.db2.gz VGWNRCUDSLJVKN-PMUMKWKESA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969705233 770694137 /nfs/dbraw/zinc/69/41/37/770694137.db2.gz VGWNRCUDSLJVKN-PMUMKWKESA-N 2 1 358.461 1.974 20 30 FDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481489 771915999 /nfs/dbraw/zinc/91/59/99/771915999.db2.gz OMXOTNCIIUEYPA-UJRDFLTJSA-N 2 1 359.514 1.644 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682473 789384159 /nfs/dbraw/zinc/38/41/59/789384159.db2.gz SEWJNZLKRPMIOU-IAGOWNOFSA-N 2 1 366.550 1.341 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000892851368 791454192 /nfs/dbraw/zinc/45/41/92/791454192.db2.gz ILSBRQITXXDYPV-MSOLQXFVSA-N 2 1 350.507 1.268 20 30 FDEDMP C=CC[C@@]1(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662754714 803063282 /nfs/dbraw/zinc/06/32/82/803063282.db2.gz UOGBMNYIGOVILM-APWZRJJASA-N 2 1 362.543 1.851 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[N@H+]1C ZINC000978178845 805257940 /nfs/dbraw/zinc/25/79/40/805257940.db2.gz JQVQSXHVMZMEAL-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[NH+]1C ZINC000978178845 805257945 /nfs/dbraw/zinc/25/79/45/805257945.db2.gz JQVQSXHVMZMEAL-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)CC[NH+]1C ZINC000978178845 805257951 /nfs/dbraw/zinc/25/79/51/805257951.db2.gz JQVQSXHVMZMEAL-PYJZQUQOSA-N 2 1 370.472 1.832 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000279395800 808969893 /nfs/dbraw/zinc/96/98/93/808969893.db2.gz HGOOWNOTXHVGCX-OYRHEFFESA-N 2 1 351.494 1.922 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261933312 811347179 /nfs/dbraw/zinc/34/71/79/811347179.db2.gz BWBPBAXNIZFAAY-WMLDXEAASA-N 2 1 355.486 1.223 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628835 811655916 /nfs/dbraw/zinc/65/59/16/811655916.db2.gz AJMXTIJECZPEDV-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628835 811655922 /nfs/dbraw/zinc/65/59/22/811655922.db2.gz AJMXTIJECZPEDV-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628835 811655931 /nfs/dbraw/zinc/65/59/31/811655931.db2.gz AJMXTIJECZPEDV-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628835 811655941 /nfs/dbraw/zinc/65/59/41/811655941.db2.gz AJMXTIJECZPEDV-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[NH+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC1CCN(C(C)=O)CC1 ZINC000262163824 821244772 /nfs/dbraw/zinc/24/47/72/821244772.db2.gz BOYIQANWLZSAIA-KRWDZBQOSA-N 2 1 361.490 1.592 20 30 FDEDMP C[NH+](C)CC1CC[NH+](CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000738075755 821767959 /nfs/dbraw/zinc/76/79/59/821767959.db2.gz ISNMJWMNTCCJTC-UHFFFAOYSA-N 2 1 369.469 1.554 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665621 821978269 /nfs/dbraw/zinc/97/82/69/821978269.db2.gz ZBMCCFMIAGQOTR-SYGRHNPNSA-N 2 1 353.894 1.571 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665621 821978271 /nfs/dbraw/zinc/97/82/71/821978271.db2.gz ZBMCCFMIAGQOTR-SYGRHNPNSA-N 2 1 353.894 1.571 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665621 821978274 /nfs/dbraw/zinc/97/82/74/821978274.db2.gz ZBMCCFMIAGQOTR-SYGRHNPNSA-N 2 1 353.894 1.571 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665621 821978278 /nfs/dbraw/zinc/97/82/78/821978278.db2.gz ZBMCCFMIAGQOTR-SYGRHNPNSA-N 2 1 353.894 1.571 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC001087837067 822547711 /nfs/dbraw/zinc/54/77/11/822547711.db2.gz SKULGVHTPHMIKU-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001087837067 822547713 /nfs/dbraw/zinc/54/77/13/822547713.db2.gz SKULGVHTPHMIKU-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087837067 822547717 /nfs/dbraw/zinc/54/77/17/822547717.db2.gz SKULGVHTPHMIKU-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)CC[NH+]1Cc1cccc(C#N)c1 ZINC001087837067 822547719 /nfs/dbraw/zinc/54/77/19/822547719.db2.gz SKULGVHTPHMIKU-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969478 824260033 /nfs/dbraw/zinc/26/00/33/824260033.db2.gz XLMDYJBMRGBRSM-WCIQWLHISA-N 2 1 361.530 1.700 20 30 FDEDMP CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000329390998 824767989 /nfs/dbraw/zinc/76/79/89/824767989.db2.gz VDVBYSWEEDEKDD-IRXDYDNUSA-N 2 1 366.506 1.141 20 30 FDEDMP CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000329390998 824767992 /nfs/dbraw/zinc/76/79/92/824767992.db2.gz VDVBYSWEEDEKDD-IRXDYDNUSA-N 2 1 366.506 1.141 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3nccnc3C)CC[C@@H]2C1 ZINC001087998153 825075145 /nfs/dbraw/zinc/07/51/45/825075145.db2.gz UDIVRHVOBGIGOF-HBFSDRIKSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nccnc3C)CC[C@@H]2C1 ZINC001087998153 825075155 /nfs/dbraw/zinc/07/51/55/825075155.db2.gz UDIVRHVOBGIGOF-HBFSDRIKSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccnc3C)CC[C@@H]2C1 ZINC001087998153 825075159 /nfs/dbraw/zinc/07/51/59/825075159.db2.gz UDIVRHVOBGIGOF-HBFSDRIKSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nccnc3C)CC[C@@H]2C1 ZINC001087998153 825075169 /nfs/dbraw/zinc/07/51/69/825075169.db2.gz UDIVRHVOBGIGOF-HBFSDRIKSA-N 2 1 367.497 1.163 20 30 FDEDMP C[N@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)C2)C1 ZINC000330212826 825736602 /nfs/dbraw/zinc/73/66/02/825736602.db2.gz KMFYOFOATJPYFF-GGPKGHCWSA-N 2 1 364.534 1.696 20 30 FDEDMP CC[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262475980 827187582 /nfs/dbraw/zinc/18/75/82/827187582.db2.gz ZSRMIWGADXYGKC-HLIPFELVSA-N 2 1 366.550 1.810 20 30 FDEDMP C=CCN1CC[C@@H]([NH+](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000985443167 827861003 /nfs/dbraw/zinc/86/10/03/827861003.db2.gz VSDGHFSJDXCTGW-KBAYOESNSA-N 2 1 362.518 1.036 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000985443167 827861010 /nfs/dbraw/zinc/86/10/10/827861010.db2.gz VSDGHFSJDXCTGW-KBAYOESNSA-N 2 1 362.518 1.036 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC000985443167 827861018 /nfs/dbraw/zinc/86/10/18/827861018.db2.gz VSDGHFSJDXCTGW-KBAYOESNSA-N 2 1 362.518 1.036 20 30 FDEDMP C[N@H+]1CCC[C@@H]2CN(CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406550 829389655 /nfs/dbraw/zinc/38/96/55/829389655.db2.gz ONNAMEJBBWOKTC-VQIMIIECSA-N 2 1 351.450 1.702 20 30 FDEDMP C[N@@H+]1CCC[C@@H]2C[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406550 829389666 /nfs/dbraw/zinc/38/96/66/829389666.db2.gz ONNAMEJBBWOKTC-VQIMIIECSA-N 2 1 351.450 1.702 20 30 FDEDMP C[N@H+]1CCC[C@@H]2C[NH+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406550 829389679 /nfs/dbraw/zinc/38/96/79/829389679.db2.gz ONNAMEJBBWOKTC-VQIMIIECSA-N 2 1 351.450 1.702 20 30 FDEDMP C[NH+]1CCC[C@@H]2C[N@H+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406550 829389686 /nfs/dbraw/zinc/38/96/86/829389686.db2.gz ONNAMEJBBWOKTC-VQIMIIECSA-N 2 1 351.450 1.702 20 30 FDEDMP C[NH+]1CCC[C@@H]2C[N@@H+](CC#CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000528406550 829389694 /nfs/dbraw/zinc/38/96/94/829389694.db2.gz ONNAMEJBBWOKTC-VQIMIIECSA-N 2 1 351.450 1.702 20 30 FDEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001105428957 831809362 /nfs/dbraw/zinc/80/93/62/831809362.db2.gz HTUQAUVJYSFJMJ-VELGLUOQSA-N 2 1 357.498 1.698 20 30 FDEDMP C=CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001105428957 831809370 /nfs/dbraw/zinc/80/93/70/831809370.db2.gz HTUQAUVJYSFJMJ-VELGLUOQSA-N 2 1 357.498 1.698 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000264089896 838510182 /nfs/dbraw/zinc/51/01/82/838510182.db2.gz KPTOUOJGRWOTMJ-PXNSSMCTSA-N 2 1 373.545 1.796 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000264089896 838510187 /nfs/dbraw/zinc/51/01/87/838510187.db2.gz KPTOUOJGRWOTMJ-PXNSSMCTSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000264089896 838510194 /nfs/dbraw/zinc/51/01/94/838510194.db2.gz KPTOUOJGRWOTMJ-PXNSSMCTSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264089896 838510200 /nfs/dbraw/zinc/51/02/00/838510200.db2.gz KPTOUOJGRWOTMJ-PXNSSMCTSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264089896 838510204 /nfs/dbraw/zinc/51/02/04/838510204.db2.gz KPTOUOJGRWOTMJ-PXNSSMCTSA-N 3 1 373.545 1.796 20 30 FDEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)CC1 ZINC001076206240 847558544 /nfs/dbraw/zinc/55/85/44/847558544.db2.gz FZDFWRBDWNIZRN-MAUKXSAKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)CC1 ZINC001076206240 847558549 /nfs/dbraw/zinc/55/85/49/847558549.db2.gz FZDFWRBDWNIZRN-MAUKXSAKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001076206390 847560685 /nfs/dbraw/zinc/56/06/85/847560685.db2.gz MOJAVLODXNDVPK-VQTJNVASSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC1 ZINC001076206390 847560686 /nfs/dbraw/zinc/56/06/86/847560686.db2.gz MOJAVLODXNDVPK-VQTJNVASSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cn(C)nc4C)C[C@H]32)CC1 ZINC001076604434 848552846 /nfs/dbraw/zinc/55/28/46/848552846.db2.gz FJJMQXTUKDSMCW-AZUAARDMSA-N 2 1 369.513 1.106 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000668835530 857506918 /nfs/dbraw/zinc/50/69/18/857506918.db2.gz CAEYBMUSLUKGGI-IBGZPJMESA-N 2 1 370.497 1.144 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000668835530 857506925 /nfs/dbraw/zinc/50/69/25/857506925.db2.gz CAEYBMUSLUKGGI-IBGZPJMESA-N 2 1 370.497 1.144 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000669032916 860835914 /nfs/dbraw/zinc/83/59/14/860835914.db2.gz BDCXNBRHKGIGMS-KURKYZTESA-N 2 1 372.517 1.673 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000669032916 860835922 /nfs/dbraw/zinc/83/59/22/860835922.db2.gz BDCXNBRHKGIGMS-KURKYZTESA-N 2 1 372.517 1.673 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000669032916 860835930 /nfs/dbraw/zinc/83/59/30/860835930.db2.gz BDCXNBRHKGIGMS-KURKYZTESA-N 2 1 372.517 1.673 20 30 FDEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001106431620 875282357 /nfs/dbraw/zinc/28/23/57/875282357.db2.gz HEHVUZHPNUDPIO-BXUZGUMPSA-N 2 1 355.280 1.784 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571423 875985240 /nfs/dbraw/zinc/98/52/40/875985240.db2.gz ZWKWDCGMAQKMDU-FGTMMUONSA-N 2 1 364.534 1.095 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106570914 875999005 /nfs/dbraw/zinc/99/90/05/875999005.db2.gz FJOAREAMPGZXQH-GUDVDZBRSA-N 2 1 351.535 1.995 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414314 912242593 /nfs/dbraw/zinc/24/25/93/912242593.db2.gz JDFBGDGMTREJRB-RTBURBONSA-N 2 1 356.470 1.358 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[NH+](C)C1CCC1 ZINC001212414314 912242603 /nfs/dbraw/zinc/24/26/03/912242603.db2.gz JDFBGDGMTREJRB-RTBURBONSA-N 2 1 356.470 1.358 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001212414314 912242607 /nfs/dbraw/zinc/24/26/07/912242607.db2.gz JDFBGDGMTREJRB-RTBURBONSA-N 2 1 356.470 1.358 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001212414314 912242623 /nfs/dbraw/zinc/24/26/23/912242623.db2.gz JDFBGDGMTREJRB-RTBURBONSA-N 2 1 356.470 1.358 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001083178068 912557754 /nfs/dbraw/zinc/55/77/54/912557754.db2.gz ZUMYSYQRBQGFKR-YTQUADARSA-N 2 1 358.486 1.632 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001083178068 912557759 /nfs/dbraw/zinc/55/77/59/912557759.db2.gz ZUMYSYQRBQGFKR-YTQUADARSA-N 2 1 358.486 1.632 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OCC(F)(F)F)nc1 ZINC000187048805 887584762 /nfs/dbraw/zinc/58/47/62/887584762.db2.gz DYFNTZVISYYPDQ-CQSZACIVSA-N 2 1 373.423 1.954 20 30 FDEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079135944 902003789 /nfs/dbraw/zinc/00/37/89/902003789.db2.gz WZPQYAXLEFAEDR-VBSBHUPXSA-N 2 1 355.482 1.034 20 30 FDEDMP C#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079135944 902003798 /nfs/dbraw/zinc/00/37/98/902003798.db2.gz WZPQYAXLEFAEDR-VBSBHUPXSA-N 2 1 355.482 1.034 20 30 FDEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135944 902003810 /nfs/dbraw/zinc/00/38/10/902003810.db2.gz WZPQYAXLEFAEDR-VBSBHUPXSA-N 2 1 355.482 1.034 20 30 FDEDMP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135944 902003815 /nfs/dbraw/zinc/00/38/15/902003815.db2.gz WZPQYAXLEFAEDR-VBSBHUPXSA-N 2 1 355.482 1.034 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079246245 902258152 /nfs/dbraw/zinc/25/81/52/902258152.db2.gz XZVWITLNBWEDOA-RBUKOAKNSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270357 902330103 /nfs/dbraw/zinc/33/01/03/902330103.db2.gz ODXHHUXLQGJBDU-GBESFXJTSA-N 2 1 359.514 1.291 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107402284 904737902 /nfs/dbraw/zinc/73/79/02/904737902.db2.gz KHSHTFVMPUFFNZ-SFHLNBCPSA-N 2 1 361.530 1.870 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107402284 904737915 /nfs/dbraw/zinc/73/79/15/904737915.db2.gz KHSHTFVMPUFFNZ-SFHLNBCPSA-N 2 1 361.530 1.870 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107402284 904737920 /nfs/dbraw/zinc/73/79/20/904737920.db2.gz KHSHTFVMPUFFNZ-SFHLNBCPSA-N 2 1 361.530 1.870 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)O1 ZINC000996711862 904903863 /nfs/dbraw/zinc/90/38/63/904903863.db2.gz MASUXNNMKGESCU-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)O1 ZINC000996711862 904903868 /nfs/dbraw/zinc/90/38/68/904903868.db2.gz MASUXNNMKGESCU-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107457209 905021528 /nfs/dbraw/zinc/02/15/28/905021528.db2.gz JWEZYLIJUBCXIL-OXQOHEQNSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107457209 905021540 /nfs/dbraw/zinc/02/15/40/905021540.db2.gz JWEZYLIJUBCXIL-OXQOHEQNSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107457209 905021559 /nfs/dbraw/zinc/02/15/59/905021559.db2.gz JWEZYLIJUBCXIL-OXQOHEQNSA-N 2 1 364.534 1.380 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080780817 906248717 /nfs/dbraw/zinc/24/87/17/906248717.db2.gz DHTOTQXANVUIPZ-IMFGXOCKSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080780817 906248731 /nfs/dbraw/zinc/24/87/31/906248731.db2.gz DHTOTQXANVUIPZ-IMFGXOCKSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080780817 906248745 /nfs/dbraw/zinc/24/87/45/906248745.db2.gz DHTOTQXANVUIPZ-IMFGXOCKSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080780817 906248758 /nfs/dbraw/zinc/24/87/58/906248758.db2.gz DHTOTQXANVUIPZ-IMFGXOCKSA-N 2 1 357.473 1.956 20 30 FDEDMP C=CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001127888129 907483417 /nfs/dbraw/zinc/48/34/17/907483417.db2.gz GSYJXRKPIJPVJL-BPQIPLTHSA-N 2 1 358.486 1.677 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2csc(C)n2)C1 ZINC001082568260 908709553 /nfs/dbraw/zinc/70/95/53/908709553.db2.gz INITZKADZWBDHP-OLMNPRSZSA-N 2 1 360.527 1.528 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2csc(C)n2)C1 ZINC001082568260 908709562 /nfs/dbraw/zinc/70/95/62/908709562.db2.gz INITZKADZWBDHP-OLMNPRSZSA-N 2 1 360.527 1.528 20 30 FDEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC001082808156 910269579 /nfs/dbraw/zinc/26/95/79/910269579.db2.gz XMJCHFPRTZHVLV-VQIMIIECSA-N 2 1 356.470 1.217 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830512 917509191 /nfs/dbraw/zinc/50/91/91/917509191.db2.gz XSPIAPGKQIZOHU-ZHALLVOQSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830512 917509198 /nfs/dbraw/zinc/50/91/98/917509198.db2.gz XSPIAPGKQIZOHU-ZHALLVOQSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830512 917509207 /nfs/dbraw/zinc/50/92/07/917509207.db2.gz XSPIAPGKQIZOHU-ZHALLVOQSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830512 917509213 /nfs/dbraw/zinc/50/92/13/917509213.db2.gz XSPIAPGKQIZOHU-ZHALLVOQSA-N 2 1 368.481 1.551 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4ncccc4C)C[C@H]32)CC1 ZINC001084851010 917657122 /nfs/dbraw/zinc/65/71/22/917657122.db2.gz IXXNDJNHFFNGQJ-TZIWHRDSSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001085229927 922983470 /nfs/dbraw/zinc/98/34/70/922983470.db2.gz RBQHWXWWJPUNKX-QRVBRYPASA-N 2 1 357.502 1.077 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1cnn(C)c1 ZINC001085229927 922983474 /nfs/dbraw/zinc/98/34/74/922983474.db2.gz RBQHWXWWJPUNKX-QRVBRYPASA-N 2 1 357.502 1.077 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nccc(C)n2)CC1 ZINC001085432780 924680341 /nfs/dbraw/zinc/68/03/41/924680341.db2.gz PMIHQZCQMAEIMF-RTBURBONSA-N 2 1 369.513 1.647 20 30 FDEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001112583422 931754510 /nfs/dbraw/zinc/75/45/10/931754510.db2.gz SDHYRXCKHPZBME-NSHGMRRFSA-N 2 1 365.518 1.128 20 30 FDEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583422 931754516 /nfs/dbraw/zinc/75/45/16/931754516.db2.gz SDHYRXCKHPZBME-NSHGMRRFSA-N 2 1 365.518 1.128 20 30 FDEDMP C[NH+](C)CC#CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC001170994155 945106006 /nfs/dbraw/zinc/10/60/06/945106006.db2.gz WTVJOQKOPHAPNJ-CTNGQTDRSA-N 2 1 355.482 1.206 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129453782 938421029 /nfs/dbraw/zinc/42/10/29/938421029.db2.gz JFMGSOYEWHPVEO-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130096818 938681250 /nfs/dbraw/zinc/68/12/50/938681250.db2.gz SMIMQIUGQSVVDZ-CABCVRRESA-N 2 1 354.886 1.104 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1c1cn(C)cn1 ZINC001130698846 939992745 /nfs/dbraw/zinc/99/27/45/939992745.db2.gz VFMAIGLHDNSOKC-PKOBYXMFSA-N 2 1 359.518 1.449 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719321 940022655 /nfs/dbraw/zinc/02/26/55/940022655.db2.gz JMLHBAJKBZHUHC-GOEBONIOSA-N 2 1 353.898 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719321 940022658 /nfs/dbraw/zinc/02/26/58/940022658.db2.gz JMLHBAJKBZHUHC-GOEBONIOSA-N 2 1 353.898 1.398 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cncn1C ZINC001131007805 940434046 /nfs/dbraw/zinc/43/40/46/940434046.db2.gz MGCJFLZBDCNVSC-ZACQAIPSSA-N 2 1 368.485 1.654 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031118 940450908 /nfs/dbraw/zinc/45/09/08/940450908.db2.gz HOFVJOUQESZZGM-IAGOWNOFSA-N 2 1 356.474 1.475 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131120984 940506261 /nfs/dbraw/zinc/50/62/61/940506261.db2.gz HAWKBJBMMAOBIY-IAGOWNOFSA-N 2 1 356.474 1.475 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001131502618 940653248 /nfs/dbraw/zinc/65/32/48/940653248.db2.gz GZLJGQOZZWUMOC-AQNXPRMDSA-N 2 1 361.530 1.868 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000815652676 941933610 /nfs/dbraw/zinc/93/36/10/941933610.db2.gz MVFUJEOEXSGVEW-IXDOHACOSA-N 2 1 353.507 1.849 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000815652676 941933613 /nfs/dbraw/zinc/93/36/13/941933613.db2.gz MVFUJEOEXSGVEW-IXDOHACOSA-N 2 1 353.507 1.849 20 30 FDEDMP CC[NH+]1CCC([N@@H+]2CCCN(Cn3ccc(C)c(C#N)c3=O)CC2)CC1 ZINC000817372079 942724064 /nfs/dbraw/zinc/72/40/64/942724064.db2.gz FVHRAHQRFMHVIZ-UHFFFAOYSA-N 2 1 357.502 1.478 20 30 FDEDMP CC[NH+]1CCC([N@H+]2CCCN(Cn3ccc(C)c(C#N)c3=O)CC2)CC1 ZINC000817372079 942724071 /nfs/dbraw/zinc/72/40/71/942724071.db2.gz FVHRAHQRFMHVIZ-UHFFFAOYSA-N 2 1 357.502 1.478 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC001136322463 943994030 /nfs/dbraw/zinc/99/40/30/943994030.db2.gz RKPXSXSCWGCGNB-UHFFFAOYSA-N 2 1 374.485 1.081 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C2C[NH2+]C2)nc(SC)n1 ZINC001171068462 946775278 /nfs/dbraw/zinc/77/52/78/946775278.db2.gz YPGAJZWDYJFRTL-ZDUSSCGKSA-N 2 1 365.503 1.524 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196167682 971517066 /nfs/dbraw/zinc/51/70/66/971517066.db2.gz FOVYFKLZMCMMNR-BHIYHBOVSA-N 2 1 362.518 1.886 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196167682 971517071 /nfs/dbraw/zinc/51/70/71/971517071.db2.gz FOVYFKLZMCMMNR-BHIYHBOVSA-N 2 1 362.518 1.886 20 30 FDEDMP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CN(c4ccccn4)C[C@H]3C)C[C@]2(C)C1 ZINC001091678824 952610372 /nfs/dbraw/zinc/61/03/72/952610372.db2.gz OWWDTRFWUSJENI-IKVWTGGYSA-N 2 1 352.482 1.567 20 30 FDEDMP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12 ZINC001092373665 955047078 /nfs/dbraw/zinc/04/70/78/955047078.db2.gz WUEWXYKRDMAYHX-YESZJQIVSA-N 2 1 357.502 1.761 20 30 FDEDMP C=C(C)C[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1nccn12 ZINC001092373665 955047089 /nfs/dbraw/zinc/04/70/89/955047089.db2.gz WUEWXYKRDMAYHX-YESZJQIVSA-N 2 1 357.502 1.761 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504731 955277528 /nfs/dbraw/zinc/27/75/28/955277528.db2.gz XWYFZZRSYHHVFF-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504731 955277535 /nfs/dbraw/zinc/27/75/35/955277535.db2.gz XWYFZZRSYHHVFF-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504731 955277544 /nfs/dbraw/zinc/27/75/44/955277544.db2.gz XWYFZZRSYHHVFF-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193846 957752246 /nfs/dbraw/zinc/75/22/46/957752246.db2.gz NMRNEFADKAHWHR-NZSAHSFTSA-N 2 1 370.497 1.725 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193846 957752252 /nfs/dbraw/zinc/75/22/52/957752252.db2.gz NMRNEFADKAHWHR-NZSAHSFTSA-N 2 1 370.497 1.725 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193846 957752257 /nfs/dbraw/zinc/75/22/57/957752257.db2.gz NMRNEFADKAHWHR-NZSAHSFTSA-N 2 1 370.497 1.725 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093195000 957756897 /nfs/dbraw/zinc/75/68/97/957756897.db2.gz IOVMJUQPAZKCRH-ZTFGCOKTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195000 957756907 /nfs/dbraw/zinc/75/69/07/957756907.db2.gz IOVMJUQPAZKCRH-ZTFGCOKTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195000 957756919 /nfs/dbraw/zinc/75/69/19/957756919.db2.gz IOVMJUQPAZKCRH-ZTFGCOKTSA-N 2 1 358.461 1.833 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]2C)CC1 ZINC001093221807 957849140 /nfs/dbraw/zinc/84/91/40/957849140.db2.gz DNIKNODIIWVFTJ-YLJYHZDGSA-N 2 1 354.498 1.611 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ncc(C)cn3)C[C@H]2C)CC1 ZINC001093224467 957855153 /nfs/dbraw/zinc/85/51/53/957855153.db2.gz XUSFUBODGBPDNM-IEBWSBKVSA-N 2 1 369.513 1.314 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ncc(C)cn3)C[C@H]2C)CC1 ZINC001093224467 957855169 /nfs/dbraw/zinc/85/51/69/957855169.db2.gz XUSFUBODGBPDNM-IEBWSBKVSA-N 2 1 369.513 1.314 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093480875 958304715 /nfs/dbraw/zinc/30/47/15/958304715.db2.gz PPSMOJINWSHTEM-HNBVOPMISA-N 2 1 360.502 1.734 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2OC)[C@H](C)C1 ZINC001093833193 958928349 /nfs/dbraw/zinc/92/83/49/958928349.db2.gz XKXWFQWUBWFFRA-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccnc2OC)[C@H](C)C1 ZINC001093833193 958928355 /nfs/dbraw/zinc/92/83/55/958928355.db2.gz XKXWFQWUBWFFRA-QRQLOZEOSA-N 2 1 370.497 1.372 20 30 FDEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001094113904 959802441 /nfs/dbraw/zinc/80/24/41/959802441.db2.gz JJHWEBBVWUAJRK-YLJYHZDGSA-N 2 1 370.497 1.465 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094221165 960046473 /nfs/dbraw/zinc/04/64/73/960046473.db2.gz VACYPTLLAAZZTH-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC001094221311 960049081 /nfs/dbraw/zinc/04/90/81/960049081.db2.gz GQXZRLBYOHESPR-DNVCBOLYSA-N 2 1 351.454 1.948 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1 ZINC001094232094 960137725 /nfs/dbraw/zinc/13/77/25/960137725.db2.gz MIJYZBRCVRCMSW-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3cccc(C#N)c3)[C@H](C)C2)C1 ZINC001094232094 960137732 /nfs/dbraw/zinc/13/77/32/960137732.db2.gz MIJYZBRCVRCMSW-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CCOC(=O)[C@H](CCC[NH3+])[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173426176 962135693 /nfs/dbraw/zinc/13/56/93/962135693.db2.gz RSEZEURQUWUUJQ-SFHVURJKSA-N 2 1 372.469 1.423 20 30 FDEDMP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001110660387 967820619 /nfs/dbraw/zinc/82/06/19/967820619.db2.gz CKVCBFGYCZLBLX-MLHJIOFPSA-N 2 1 362.518 1.273 20 30 FDEDMP C=CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001110660387 967820626 /nfs/dbraw/zinc/82/06/26/967820626.db2.gz CKVCBFGYCZLBLX-MLHJIOFPSA-N 2 1 362.518 1.273 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660387 967820641 /nfs/dbraw/zinc/82/06/41/967820641.db2.gz CKVCBFGYCZLBLX-MLHJIOFPSA-N 2 1 362.518 1.273 20 30 FDEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001110660387 967820655 /nfs/dbraw/zinc/82/06/55/967820655.db2.gz CKVCBFGYCZLBLX-MLHJIOFPSA-N 2 1 362.518 1.273 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000854094062 968587945 /nfs/dbraw/zinc/58/79/45/968587945.db2.gz CFOAMHNPZRDQLH-HXUWFJFHSA-N 2 1 356.514 1.900 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000854094062 968587955 /nfs/dbraw/zinc/58/79/55/968587955.db2.gz CFOAMHNPZRDQLH-HXUWFJFHSA-N 2 1 356.514 1.900 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000854094062 968587963 /nfs/dbraw/zinc/58/79/63/968587963.db2.gz CFOAMHNPZRDQLH-HXUWFJFHSA-N 2 1 356.514 1.900 20 30 FDEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198776749 973511228 /nfs/dbraw/zinc/51/12/28/973511228.db2.gz UCDHDLIBFOZCNE-HHXXYDBFSA-N 2 1 361.486 1.737 20 30 FDEDMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198776749 973511233 /nfs/dbraw/zinc/51/12/33/973511233.db2.gz UCDHDLIBFOZCNE-HHXXYDBFSA-N 2 1 361.486 1.737 20 30 FDEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)[C@H]1CCCO1 ZINC000776228374 975191707 /nfs/dbraw/zinc/19/17/07/975191707.db2.gz QGBUASFTWFNCPQ-FGTMMUONSA-N 2 1 350.507 1.225 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849516234 977708644 /nfs/dbraw/zinc/70/86/44/977708644.db2.gz HCAOPXRALPBAOD-WOJBJXKFSA-N 2 1 371.529 1.402 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849516234 977708653 /nfs/dbraw/zinc/70/86/53/977708653.db2.gz HCAOPXRALPBAOD-WOJBJXKFSA-N 2 1 371.529 1.402 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000369403569 989050466 /nfs/dbraw/zinc/05/04/66/989050466.db2.gz VTDVQRXCUGMMSJ-QXAKKESOSA-N 2 1 364.534 1.825 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000369395898 989050759 /nfs/dbraw/zinc/05/07/59/989050759.db2.gz RGNKZZZVNZSHOT-LJQANCHMSA-N 2 1 363.550 1.448 20 30 FDEDMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)CC1 ZINC000363799013 989444972 /nfs/dbraw/zinc/44/49/72/989444972.db2.gz PQOQRYOKVLKIPI-UHFFFAOYSA-N 2 1 369.513 1.846 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000297016318 989461668 /nfs/dbraw/zinc/46/16/68/989461668.db2.gz VUEJGIZIQBNAPM-FQEVSTJZSA-N 2 1 372.513 1.532 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301444 990348591 /nfs/dbraw/zinc/34/85/91/990348591.db2.gz FVFYAEVYCUQTMB-YLJYHZDGSA-N 2 1 369.513 1.845 20 30 FDEDMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)C1 ZINC000876775176 992900242 /nfs/dbraw/zinc/90/02/42/992900242.db2.gz QBGCANQLWPOFOQ-YLJYHZDGSA-N 2 1 352.482 1.935 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000374748522 992935004 /nfs/dbraw/zinc/93/50/04/992935004.db2.gz IAMGGDLGGDDTQY-MRXNPFEDSA-N 2 1 373.501 1.421 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000374748522 992935006 /nfs/dbraw/zinc/93/50/06/992935006.db2.gz IAMGGDLGGDDTQY-MRXNPFEDSA-N 2 1 373.501 1.421 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000876896668 992957436 /nfs/dbraw/zinc/95/74/36/992957436.db2.gz KLSNHCFZRGFDGD-DLBZAZTESA-N 2 1 351.878 1.864 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000127859662 995049579 /nfs/dbraw/zinc/04/95/79/995049579.db2.gz XMUQWGZTIWTLTF-KDURUIRLSA-N 2 1 360.546 1.349 20 30 FDEDMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264108374 997402704 /nfs/dbraw/zinc/40/27/04/997402704.db2.gz PZKAZLWISFTWTB-KRWDZBQOSA-N 2 1 359.522 1.425 20 30 FDEDMP C#CC1(O)CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CC1 ZINC000931145931 1003922850 /nfs/dbraw/zinc/92/28/50/1003922850.db2.gz WZEKWBSUJGGCKZ-UHFFFAOYSA-N 2 1 369.509 1.489 20 30 FDEDMP C#CC1(O)CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)CC1 ZINC000931145931 1003922854 /nfs/dbraw/zinc/92/28/54/1003922854.db2.gz WZEKWBSUJGGCKZ-UHFFFAOYSA-N 2 1 369.509 1.489 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111031123 1004966554 /nfs/dbraw/zinc/96/65/54/1004966554.db2.gz PXBVGQJDYLBTCV-HZMVEIRTSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111031123 1004966557 /nfs/dbraw/zinc/96/65/57/1004966557.db2.gz PXBVGQJDYLBTCV-HZMVEIRTSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111031123 1004966559 /nfs/dbraw/zinc/96/65/59/1004966559.db2.gz PXBVGQJDYLBTCV-HZMVEIRTSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031123 1004966561 /nfs/dbraw/zinc/96/65/61/1004966561.db2.gz PXBVGQJDYLBTCV-HZMVEIRTSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099427 1005930327 /nfs/dbraw/zinc/93/03/27/1005930327.db2.gz GMIDPTXILRQOIJ-DDBAPUKQSA-N 2 1 362.518 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099427 1005930329 /nfs/dbraw/zinc/93/03/29/1005930329.db2.gz GMIDPTXILRQOIJ-DDBAPUKQSA-N 2 1 362.518 1.131 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111230282 1006983132 /nfs/dbraw/zinc/98/31/32/1006983132.db2.gz KVJMDMSKTAACPF-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111230282 1006983136 /nfs/dbraw/zinc/98/31/36/1006983136.db2.gz KVJMDMSKTAACPF-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230282 1006983140 /nfs/dbraw/zinc/98/31/40/1006983140.db2.gz KVJMDMSKTAACPF-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111230282 1006983142 /nfs/dbraw/zinc/98/31/42/1006983142.db2.gz KVJMDMSKTAACPF-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C[C@H](CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)CN1CC[NH+](C)CC1 ZINC000303897394 1009682036 /nfs/dbraw/zinc/68/20/36/1009682036.db2.gz VAXKENTYLNQPOT-OAHLLOKOSA-N 2 1 361.490 1.458 20 30 FDEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000304764561 1010489177 /nfs/dbraw/zinc/48/91/77/1010489177.db2.gz YDMILVHGCDNULI-LJQANCHMSA-N 2 1 365.566 1.658 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000304764561 1010489186 /nfs/dbraw/zinc/48/91/86/1010489186.db2.gz YDMILVHGCDNULI-LJQANCHMSA-N 3 1 365.566 1.658 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000304764561 1010489190 /nfs/dbraw/zinc/48/91/90/1010489190.db2.gz YDMILVHGCDNULI-LJQANCHMSA-N 3 1 365.566 1.658 20 30 FDEDMP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000264156599 179037291 /nfs/dbraw/zinc/03/72/91/179037291.db2.gz VCERXMHQGAHBBL-HNNXBMFYSA-N 2 1 371.485 1.275 20 30 FDEDMP COc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1C#N ZINC000135188754 173341094 /nfs/dbraw/zinc/34/10/94/173341094.db2.gz VKQIAJGZMGJJOE-UHFFFAOYSA-N 2 1 370.497 1.943 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)C(C)C ZINC000556205644 544117699 /nfs/dbraw/zinc/11/76/99/544117699.db2.gz GKSOMEBRZWGLJW-QZTJIDSGSA-N 2 1 364.534 1.354 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016999 521781255 /nfs/dbraw/zinc/78/12/55/521781255.db2.gz UAXZDYWAWPJULH-KURKYZTESA-N 2 1 364.534 1.816 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016999 521781264 /nfs/dbraw/zinc/78/12/64/521781264.db2.gz UAXZDYWAWPJULH-KURKYZTESA-N 2 1 364.534 1.816 20 30 FDEDMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000139467804 524289906 /nfs/dbraw/zinc/28/99/06/524289906.db2.gz DAAXXBUQKJNCKK-IBGZPJMESA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000139467804 524289916 /nfs/dbraw/zinc/28/99/16/524289916.db2.gz DAAXXBUQKJNCKK-IBGZPJMESA-N 2 1 355.486 1.870 20 30 FDEDMP C[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000139467804 524289922 /nfs/dbraw/zinc/28/99/22/524289922.db2.gz DAAXXBUQKJNCKK-IBGZPJMESA-N 2 1 355.486 1.870 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171706395 526087637 /nfs/dbraw/zinc/08/76/37/526087637.db2.gz XJEDOJYCHIKDTC-HZPDHXFCSA-N 2 1 352.523 1.824 20 30 FDEDMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109751292 526172883 /nfs/dbraw/zinc/17/28/83/526172883.db2.gz ZVAJENYVINKOJL-FQEVSTJZSA-N 2 1 369.513 1.989 20 30 FDEDMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000109751292 526172891 /nfs/dbraw/zinc/17/28/91/526172891.db2.gz ZVAJENYVINKOJL-FQEVSTJZSA-N 2 1 369.513 1.989 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000187018476 536252675 /nfs/dbraw/zinc/25/26/75/536252675.db2.gz HGIGHLQTVVBQKK-AYBZRNKSSA-N 2 1 350.507 1.521 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@@](C)(C#N)C2CC2)[C@H](C)C1 ZINC000187018476 536252676 /nfs/dbraw/zinc/25/26/76/536252676.db2.gz HGIGHLQTVVBQKK-AYBZRNKSSA-N 2 1 350.507 1.521 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188565865 536903621 /nfs/dbraw/zinc/90/36/21/536903621.db2.gz CMNJCLHRDKPIPX-INIZCTEOSA-N 2 1 352.523 1.514 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000246849831 537038814 /nfs/dbraw/zinc/03/88/14/537038814.db2.gz TYUNRJYRXVFACJ-LEWJYISDSA-N 2 1 369.509 1.331 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000189956410 537120846 /nfs/dbraw/zinc/12/08/46/537120846.db2.gz CUSFYTJTQOHYQC-HOTGVXAUSA-N 2 1 358.486 1.744 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000247541071 537130773 /nfs/dbraw/zinc/13/07/73/537130773.db2.gz CZRMNCHYCKKWFF-FUHWJXTLSA-N 2 1 362.518 1.086 20 30 FDEDMP C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262775440 537254377 /nfs/dbraw/zinc/25/43/77/537254377.db2.gz JDECMTLEDHTLBJ-ZWKOTPCHSA-N 2 1 372.513 1.782 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000293518611 537497739 /nfs/dbraw/zinc/49/77/39/537497739.db2.gz YQTOAQBBXKRTHD-UHFFFAOYSA-N 2 1 358.486 1.538 20 30 FDEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000375901824 537797013 /nfs/dbraw/zinc/79/70/13/537797013.db2.gz LHRPASOEVBSDOV-WOJBJXKFSA-N 2 1 372.513 1.398 20 30 FDEDMP N#Cc1ccc(N2CCC([NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)cc1 ZINC000560526439 545537286 /nfs/dbraw/zinc/53/72/86/545537286.db2.gz GUUARKSBOXJCQL-SFHVURJKSA-N 2 1 369.513 1.704 20 30 FDEDMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cnc3c(C#N)cnn3c2)ccn1 ZINC000569724031 549027059 /nfs/dbraw/zinc/02/70/59/549027059.db2.gz PHPBCHKJTFFVCM-UHFFFAOYSA-N 2 1 351.414 1.226 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000592351898 551983462 /nfs/dbraw/zinc/98/34/62/551983462.db2.gz GSYMFHVKNZQXGO-GOSISDBHSA-N 2 1 350.507 1.533 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c2)CCO1 ZINC000594438660 552310287 /nfs/dbraw/zinc/31/02/87/552310287.db2.gz PKFNXOWCKXGYGG-VQIMIIECSA-N 2 1 358.486 1.935 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])CCCCC#N)c2)CCO1 ZINC000594438660 552310290 /nfs/dbraw/zinc/31/02/90/552310290.db2.gz PKFNXOWCKXGYGG-VQIMIIECSA-N 2 1 358.486 1.935 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000594441026 552311256 /nfs/dbraw/zinc/31/12/56/552311256.db2.gz LEJNGURGNRLVMV-IRXDYDNUSA-N 2 1 357.458 1.486 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000594441026 552311258 /nfs/dbraw/zinc/31/12/58/552311258.db2.gz LEJNGURGNRLVMV-IRXDYDNUSA-N 2 1 357.458 1.486 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000594444673 552311747 /nfs/dbraw/zinc/31/17/47/552311747.db2.gz BIMZMMKONBQGFR-MOPGFXCFSA-N 2 1 358.486 1.805 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000597439368 552789411 /nfs/dbraw/zinc/78/94/11/552789411.db2.gz IAZUQNPUPCVERR-LJQANCHMSA-N 2 1 367.497 1.918 20 30 FDEDMP C[C@@H]1CC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[NH2+]1 ZINC000599942223 553180311 /nfs/dbraw/zinc/18/03/11/553180311.db2.gz XJSHCLTZAWDTRI-APWZRJJASA-N 2 1 355.486 1.916 20 30 FDEDMP N#CC1(C[C@@H](O)C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCOCC1 ZINC000600714095 553306035 /nfs/dbraw/zinc/30/60/35/553306035.db2.gz IZOFSLHEOAPYOT-HXUWFJFHSA-N 2 1 373.497 1.680 20 30 FDEDMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600718672 553306576 /nfs/dbraw/zinc/30/65/76/553306576.db2.gz QVTHSOKBERJQTR-HXUWFJFHSA-N 2 1 356.514 1.968 20 30 FDEDMP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000600736836 553309309 /nfs/dbraw/zinc/30/93/09/553309309.db2.gz SWMUYUXVFJXBQA-UXHICEINSA-N 2 1 373.497 1.414 20 30 FDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C1 ZINC000610988665 554591227 /nfs/dbraw/zinc/59/12/27/554591227.db2.gz JSYIIZKITCDZOP-VQTJNVASSA-N 2 1 372.513 1.204 20 30 FDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)C1 ZINC000610988665 554591229 /nfs/dbraw/zinc/59/12/29/554591229.db2.gz JSYIIZKITCDZOP-VQTJNVASSA-N 2 1 372.513 1.204 20 30 FDEDMP CC[N@@H+](CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12)C(C)C ZINC000089120781 671491915 /nfs/dbraw/zinc/49/19/15/671491915.db2.gz HAEXDTYTQNVMAT-OAHLLOKOSA-N 2 1 353.511 1.597 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000158968200 671985768 /nfs/dbraw/zinc/98/57/68/671985768.db2.gz VTGJRHDIBKNXEK-LSDHHAIUSA-N 2 1 364.925 1.821 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178566113 672143620 /nfs/dbraw/zinc/14/36/20/672143620.db2.gz HCWIFCSRMDIEES-GJZGRUSLSA-N 2 1 353.511 1.775 20 30 FDEDMP CC[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCS[C@@H](C(C)C)C1 ZINC000261768284 672668413 /nfs/dbraw/zinc/66/84/13/672668413.db2.gz NSLQQQXVYWENMK-QGZVFWFLSA-N 2 1 355.596 1.663 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000261822241 672678331 /nfs/dbraw/zinc/67/83/31/672678331.db2.gz UPGRKONRQUASJP-KBPBESRZSA-N 2 1 351.445 1.660 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCC(OC(C)(C)C)CC1 ZINC000261848371 672682469 /nfs/dbraw/zinc/68/24/69/672682469.db2.gz XRZFVTGHWPOGHY-MRXNPFEDSA-N 2 1 353.555 1.477 20 30 FDEDMP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262328946 672770894 /nfs/dbraw/zinc/77/08/94/672770894.db2.gz AMDXWTAELBUOBK-HNNXBMFYSA-N 2 1 351.520 1.489 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000262763276 672844378 /nfs/dbraw/zinc/84/43/78/672844378.db2.gz GPSUZKZHNCCANS-IIDMSEBBSA-N 2 1 369.579 1.236 20 30 FDEDMP CN(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccc(F)c1 ZINC000264067827 672899836 /nfs/dbraw/zinc/89/98/36/672899836.db2.gz FHHQPXFWOLZBOF-KRWDZBQOSA-N 2 1 351.470 1.055 20 30 FDEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000303791125 676542944 /nfs/dbraw/zinc/54/29/44/676542944.db2.gz XAFMAVXATCUIIH-HNNXBMFYSA-N 2 1 350.463 1.787 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000303885911 676543547 /nfs/dbraw/zinc/54/35/47/676543547.db2.gz NMPGQWNBLVUGJX-HNNXBMFYSA-N 2 1 353.511 1.632 20 30 FDEDMP CC(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000303889807 676543785 /nfs/dbraw/zinc/54/37/85/676543785.db2.gz MDGCJKSUFMVGIV-SFHVURJKSA-N 3 1 353.555 1.370 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C(=O)OC(C)(C)C)C1CC1 ZINC000303971860 676544023 /nfs/dbraw/zinc/54/40/23/676544023.db2.gz FFJAOXBPADMRAV-OAHLLOKOSA-N 2 1 353.511 1.775 20 30 FDEDMP CC(C)(C)c1nc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cs1 ZINC000305728097 676545261 /nfs/dbraw/zinc/54/52/61/676545261.db2.gz SGXVTNINZXTTDU-UHFFFAOYSA-N 2 1 353.536 1.610 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000329729660 676652103 /nfs/dbraw/zinc/65/21/03/676652103.db2.gz FXVXQBBRJPHTMU-MRXNPFEDSA-N 2 1 350.507 1.762 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471871740 779466899 /nfs/dbraw/zinc/46/68/99/779466899.db2.gz MSVOXKKADPQTNZ-QZTJIDSGSA-N 2 1 358.486 1.670 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471871740 779466902 /nfs/dbraw/zinc/46/69/02/779466902.db2.gz MSVOXKKADPQTNZ-QZTJIDSGSA-N 2 1 358.486 1.670 20 30 FDEDMP C=C(C)[C@H](CO)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001167529410 781805552 /nfs/dbraw/zinc/80/55/52/781805552.db2.gz LECOIBITEZOQIA-FQEVSTJZSA-N 2 1 359.514 1.884 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC4=CCCCC4)C[C@@H]32)CC1 ZINC001083283473 791175137 /nfs/dbraw/zinc/17/51/37/791175137.db2.gz CXDQAYHIAFMKOJ-LEWJYISDSA-N 2 1 371.525 1.744 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662336572 806473963 /nfs/dbraw/zinc/47/39/63/806473963.db2.gz ZRERHRLQLDIWFF-QGZVFWFLSA-N 2 1 372.517 1.199 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)CC[N@H+]1C ZINC000978184528 805282739 /nfs/dbraw/zinc/28/27/39/805282739.db2.gz VAQDNUJOWCMDRK-CBFGRJNTSA-N 2 1 352.482 1.692 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000978184528 805282747 /nfs/dbraw/zinc/28/27/47/805282747.db2.gz VAQDNUJOWCMDRK-CBFGRJNTSA-N 2 1 352.482 1.692 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)CC[NH+]1C ZINC000978184528 805282756 /nfs/dbraw/zinc/28/27/56/805282756.db2.gz VAQDNUJOWCMDRK-CBFGRJNTSA-N 2 1 352.482 1.692 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)O1 ZINC001027966416 807129472 /nfs/dbraw/zinc/12/94/72/807129472.db2.gz PNIKTVJOYUIQLB-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(C#N)cc2)O1 ZINC001027966416 807129473 /nfs/dbraw/zinc/12/94/73/807129473.db2.gz PNIKTVJOYUIQLB-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(C#N)cc2)O1 ZINC001027966416 807129478 /nfs/dbraw/zinc/12/94/78/807129478.db2.gz PNIKTVJOYUIQLB-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(C#N)cc2)O1 ZINC001027966416 807129481 /nfs/dbraw/zinc/12/94/81/807129481.db2.gz PNIKTVJOYUIQLB-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720128 809246280 /nfs/dbraw/zinc/24/62/80/809246280.db2.gz ATBSRGQPDRGOHF-SLFFLAALSA-N 2 1 355.482 1.172 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726055 809394083 /nfs/dbraw/zinc/39/40/83/809394083.db2.gz HVPVHLAKZMQJOV-ZCNNSNEGSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726055 809394085 /nfs/dbraw/zinc/39/40/85/809394085.db2.gz HVPVHLAKZMQJOV-ZCNNSNEGSA-N 2 1 355.482 1.315 20 30 FDEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001087444061 809808011 /nfs/dbraw/zinc/80/80/11/809808011.db2.gz VPRNEIQVVPNHMG-NJYVYQBISA-N 2 1 369.509 1.705 20 30 FDEDMP C#CCC[NH+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001087444061 809808013 /nfs/dbraw/zinc/80/80/13/809808013.db2.gz VPRNEIQVVPNHMG-NJYVYQBISA-N 2 1 369.509 1.705 20 30 FDEDMP C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001087444061 809808015 /nfs/dbraw/zinc/80/80/15/809808015.db2.gz VPRNEIQVVPNHMG-NJYVYQBISA-N 2 1 369.509 1.705 20 30 FDEDMP C#CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001087444061 809808027 /nfs/dbraw/zinc/80/80/27/809808027.db2.gz VPRNEIQVVPNHMG-NJYVYQBISA-N 2 1 369.509 1.705 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)c(F)c3)C2)CC[N@H+]1C ZINC001028551093 810625290 /nfs/dbraw/zinc/62/52/90/810625290.db2.gz ZWCZVZRQORZXIG-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC[NH+]1C ZINC001028551093 810625296 /nfs/dbraw/zinc/62/52/96/810625296.db2.gz ZWCZVZRQORZXIG-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC[NH+]1C ZINC001028551093 810625300 /nfs/dbraw/zinc/62/53/00/810625300.db2.gz ZWCZVZRQORZXIG-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[NH+](C[C@H]3CCOC3)CC2)C12CCC2 ZINC000261869814 814815302 /nfs/dbraw/zinc/81/53/02/814815302.db2.gz ZNFGLBHERAFZIR-FGTMMUONSA-N 2 1 364.534 1.564 20 30 FDEDMP C=CCn1cc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)nn1 ZINC000425870567 816621305 /nfs/dbraw/zinc/62/13/05/816621305.db2.gz HHYXOMQXWVBZPU-KRWDZBQOSA-N 2 1 363.510 1.022 20 30 FDEDMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C ZINC000328987510 819605874 /nfs/dbraw/zinc/60/58/74/819605874.db2.gz UPEIQLHMRDASCO-SJORKVTESA-N 2 1 374.533 1.662 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)no3)[C@@H]2CC)CC1 ZINC001087840454 822559721 /nfs/dbraw/zinc/55/97/21/822559721.db2.gz XXNGPZLVBJNJOB-RBUKOAKNSA-N 2 1 358.486 1.797 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCn3cccn3)[C@@H]2CC)CC1 ZINC001087839163 822560306 /nfs/dbraw/zinc/56/03/06/822560306.db2.gz OBUVYFQBEHPGRU-RBUKOAKNSA-N 2 1 357.502 1.197 20 30 FDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000329158927 824633923 /nfs/dbraw/zinc/63/39/23/824633923.db2.gz XEJOIGOEEYYVML-SFHVURJKSA-N 2 1 360.506 1.047 20 30 FDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329263825 824702913 /nfs/dbraw/zinc/70/29/13/824702913.db2.gz DNVVELVXMKJURZ-ZWQIFLOQSA-N 2 1 364.534 1.741 20 30 FDEDMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000329529300 824854842 /nfs/dbraw/zinc/85/48/42/824854842.db2.gz VDSPQURSASXXPE-VUHPKUFZSA-N 2 1 374.533 1.886 20 30 FDEDMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000329529300 824854846 /nfs/dbraw/zinc/85/48/46/824854846.db2.gz VDSPQURSASXXPE-VUHPKUFZSA-N 2 1 374.533 1.886 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cn(C)nc3C)CC[C@@H]2C1 ZINC001087998083 825074353 /nfs/dbraw/zinc/07/43/53/825074353.db2.gz QBPXXPAYESHFPO-HOJAQTOUSA-N 2 1 369.513 1.106 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cn(C)nc3C)CC[C@@H]2C1 ZINC001087998083 825074359 /nfs/dbraw/zinc/07/43/59/825074359.db2.gz QBPXXPAYESHFPO-HOJAQTOUSA-N 2 1 369.513 1.106 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nc3C)CC[C@@H]2C1 ZINC001087998083 825074364 /nfs/dbraw/zinc/07/43/64/825074364.db2.gz QBPXXPAYESHFPO-HOJAQTOUSA-N 2 1 369.513 1.106 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cn(C)nc3C)CC[C@@H]2C1 ZINC001087998083 825074370 /nfs/dbraw/zinc/07/43/70/825074370.db2.gz QBPXXPAYESHFPO-HOJAQTOUSA-N 2 1 369.513 1.106 20 30 FDEDMP NC(=O)c1cc([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n[nH]1 ZINC000329673363 825283029 /nfs/dbraw/zinc/28/30/29/825283029.db2.gz STYLWINXBRLGHV-ZDUSSCGKSA-N 2 1 374.489 1.271 20 30 FDEDMP NC(=O)c1cc([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n[nH]1 ZINC000329673363 825283036 /nfs/dbraw/zinc/28/30/36/825283036.db2.gz STYLWINXBRLGHV-ZDUSSCGKSA-N 2 1 374.489 1.271 20 30 FDEDMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000329779529 825449668 /nfs/dbraw/zinc/44/96/68/825449668.db2.gz LYZWYGUEGPTOCX-OAHLLOKOSA-N 2 1 367.538 1.115 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047038 825589906 /nfs/dbraw/zinc/58/99/06/825589906.db2.gz BVTDGJITLJKPLC-XFHVWQCUSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047038 825589914 /nfs/dbraw/zinc/58/99/14/825589914.db2.gz BVTDGJITLJKPLC-XFHVWQCUSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047038 825589919 /nfs/dbraw/zinc/58/99/19/825589919.db2.gz BVTDGJITLJKPLC-XFHVWQCUSA-N 2 1 365.905 1.382 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047038 825589924 /nfs/dbraw/zinc/58/99/24/825589924.db2.gz BVTDGJITLJKPLC-XFHVWQCUSA-N 2 1 365.905 1.382 20 30 FDEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cc(C#N)n(C)c2)cc[nH+]1 ZINC000475086003 826677082 /nfs/dbraw/zinc/67/70/82/826677082.db2.gz OUHGPAMVJIKBKG-RDJZCZTQSA-N 2 1 371.464 1.802 20 30 FDEDMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[N@@H+](C)Cc2cc(C#N)n(C)c2)cc[nH+]1 ZINC000475086003 826677084 /nfs/dbraw/zinc/67/70/84/826677084.db2.gz OUHGPAMVJIKBKG-RDJZCZTQSA-N 2 1 371.464 1.802 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccn(C)n4)CC[C@@H]3C2)CC1 ZINC001088212144 827493819 /nfs/dbraw/zinc/49/38/19/827493819.db2.gz ROHDOKUXSZSZPU-MOPGFXCFSA-N 2 1 369.513 1.046 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccn(C)n4)CC[C@@H]3C2)CC1 ZINC001088212144 827493822 /nfs/dbraw/zinc/49/38/22/827493822.db2.gz ROHDOKUXSZSZPU-MOPGFXCFSA-N 2 1 369.513 1.046 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001029767196 828030312 /nfs/dbraw/zinc/03/03/12/828030312.db2.gz LYXVOEGKVWFFCW-NSISKUIASA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001029767196 828030320 /nfs/dbraw/zinc/03/03/20/828030320.db2.gz LYXVOEGKVWFFCW-NSISKUIASA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001029767196 828030324 /nfs/dbraw/zinc/03/03/24/828030324.db2.gz LYXVOEGKVWFFCW-NSISKUIASA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC001029767196 828030332 /nfs/dbraw/zinc/03/03/32/828030332.db2.gz LYXVOEGKVWFFCW-NSISKUIASA-N 2 1 370.497 1.558 20 30 FDEDMP O[C@@H]1CC[C@H]2C[NH+](CC#CC[N@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700358 830424499 /nfs/dbraw/zinc/42/44/99/830424499.db2.gz NSGGCHZGCCPGOQ-VFPNFYTQSA-N 2 1 360.542 1.956 20 30 FDEDMP O[C@@H]1CC[C@H]2C[N@H+](CC#CC[NH+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700358 830424505 /nfs/dbraw/zinc/42/45/05/830424505.db2.gz NSGGCHZGCCPGOQ-VFPNFYTQSA-N 2 1 360.542 1.956 20 30 FDEDMP O[C@@H]1CC[C@H]2C[N@@H+](CC#CC[NH+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700358 830424512 /nfs/dbraw/zinc/42/45/12/830424512.db2.gz NSGGCHZGCCPGOQ-VFPNFYTQSA-N 2 1 360.542 1.956 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[NH+]1CCC(OC)CC1)N1CC[C@H](N2CC=CC2)C1 ZINC000262824430 831551962 /nfs/dbraw/zinc/55/19/62/831551962.db2.gz ZIAZDVNQKPNLTK-KRWDZBQOSA-N 2 1 363.550 1.397 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668097 843754336 /nfs/dbraw/zinc/75/43/36/843754336.db2.gz HLIKSZJSAJMYJZ-RMVXJAJNSA-N 2 1 363.546 1.708 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187055665 887722751 /nfs/dbraw/zinc/72/27/51/887722751.db2.gz MBPSXWRRHBARRJ-HXUWFJFHSA-N 2 1 373.545 1.394 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000923390887 889082093 /nfs/dbraw/zinc/08/20/93/889082093.db2.gz YWFBGJWSKFJUNP-XFKSJGNHSA-N 2 1 359.470 1.516 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923556439 889812063 /nfs/dbraw/zinc/81/20/63/889812063.db2.gz XCJMLQYTYGCDSN-XUVXKRRUSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923556439 889812074 /nfs/dbraw/zinc/81/20/74/889812074.db2.gz XCJMLQYTYGCDSN-XUVXKRRUSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923556439 889812089 /nfs/dbraw/zinc/81/20/89/889812089.db2.gz XCJMLQYTYGCDSN-XUVXKRRUSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C(C)C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923556439 889812126 /nfs/dbraw/zinc/81/21/26/889812126.db2.gz XCJMLQYTYGCDSN-XUVXKRRUSA-N 2 1 371.529 1.448 20 30 FDEDMP C=CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128106957 896958324 /nfs/dbraw/zinc/95/83/24/896958324.db2.gz JVROJJPBOSBQIF-KBAYOESNSA-N 2 1 357.502 1.392 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]3COC[C@@H]32)CC1 ZINC001079245598 902253962 /nfs/dbraw/zinc/25/39/62/902253962.db2.gz BHPKKGAPWNPQFY-RCCFBDPRSA-N 2 1 368.481 1.333 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951401 903751736 /nfs/dbraw/zinc/75/17/36/903751736.db2.gz LCMFQUSSJOPCQU-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079951401 903751743 /nfs/dbraw/zinc/75/17/43/903751743.db2.gz LCMFQUSSJOPCQU-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079951401 903751747 /nfs/dbraw/zinc/75/17/47/903751747.db2.gz LCMFQUSSJOPCQU-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079951401 903751753 /nfs/dbraw/zinc/75/17/53/903751753.db2.gz LCMFQUSSJOPCQU-OHDICMOHSA-N 2 1 356.470 1.214 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCCOCC)CC2 ZINC001107440921 904926097 /nfs/dbraw/zinc/92/60/97/904926097.db2.gz BQUYZSRXJKQOHI-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCCOCC)CC2 ZINC001107440921 904926098 /nfs/dbraw/zinc/92/60/98/904926098.db2.gz BQUYZSRXJKQOHI-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCOCC)CC2 ZINC001107440921 904926099 /nfs/dbraw/zinc/92/60/99/904926099.db2.gz BQUYZSRXJKQOHI-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCCOCC)CC2 ZINC001107440921 904926101 /nfs/dbraw/zinc/92/61/01/904926101.db2.gz BQUYZSRXJKQOHI-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691885 904938712 /nfs/dbraw/zinc/93/87/12/904938712.db2.gz WXDVGEANAHFZAL-UTRMSSBJSA-N 2 1 356.470 1.214 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691885 904938717 /nfs/dbraw/zinc/93/87/17/904938717.db2.gz WXDVGEANAHFZAL-UTRMSSBJSA-N 2 1 356.470 1.214 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691885 904938724 /nfs/dbraw/zinc/93/87/24/904938724.db2.gz WXDVGEANAHFZAL-UTRMSSBJSA-N 2 1 356.470 1.214 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691885 904938734 /nfs/dbraw/zinc/93/87/34/904938734.db2.gz WXDVGEANAHFZAL-UTRMSSBJSA-N 2 1 356.470 1.214 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)C1=O ZINC001107530827 905440886 /nfs/dbraw/zinc/44/08/86/905440886.db2.gz OFFJXEHUFVZEGL-MBOZVWFJSA-N 2 1 362.518 1.086 20 30 FDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)COC[C@H](C)[NH+]3CCCC3)CCC[C@@H]12 ZINC001107552453 905556633 /nfs/dbraw/zinc/55/66/33/905556633.db2.gz NLPBORCLQNIBDV-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326468 906906865 /nfs/dbraw/zinc/90/68/65/906906865.db2.gz FCDQEMTWOYWZEG-IPMKNSEASA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001082326468 906906869 /nfs/dbraw/zinc/90/68/69/906906869.db2.gz FCDQEMTWOYWZEG-IPMKNSEASA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001082326468 906906875 /nfs/dbraw/zinc/90/68/75/906906875.db2.gz FCDQEMTWOYWZEG-IPMKNSEASA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001082326468 906906877 /nfs/dbraw/zinc/90/68/77/906906877.db2.gz FCDQEMTWOYWZEG-IPMKNSEASA-N 2 1 356.470 1.215 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)nc3)C[C@H]2C)CC1 ZINC001080997560 906970874 /nfs/dbraw/zinc/97/08/74/906970874.db2.gz FGZKNEXHEWNYQM-DNVCBOLYSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)nc3)C[C@H]2C)CC1 ZINC001080997560 906970876 /nfs/dbraw/zinc/97/08/76/906970876.db2.gz FGZKNEXHEWNYQM-DNVCBOLYSA-N 2 1 355.486 1.067 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150850 907262111 /nfs/dbraw/zinc/26/21/11/907262111.db2.gz GWSXBHWLLIZGEF-LBQNXCCASA-N 2 1 367.493 1.620 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]2OC)CC1 ZINC001082384103 907386495 /nfs/dbraw/zinc/38/64/95/907386495.db2.gz CRKSZCOFELGYKD-RTBURBONSA-N 2 1 361.530 1.583 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2OC)CC1 ZINC001082384197 907388486 /nfs/dbraw/zinc/38/84/86/907388486.db2.gz IJBDKDRGQWOFHM-WOJBJXKFSA-N 2 1 370.497 1.051 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2OC)CC1 ZINC001082384197 907388506 /nfs/dbraw/zinc/38/85/06/907388506.db2.gz IJBDKDRGQWOFHM-WOJBJXKFSA-N 2 1 370.497 1.051 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001082596136 908934610 /nfs/dbraw/zinc/93/46/10/908934610.db2.gz XEZXDNMPNWSTGT-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001082740811 909936135 /nfs/dbraw/zinc/93/61/35/909936135.db2.gz GYEUZTTVALSDLW-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082861864 910523125 /nfs/dbraw/zinc/52/31/25/910523125.db2.gz QXSMPACCOHHGPV-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409598 911778222 /nfs/dbraw/zinc/77/82/22/911778222.db2.gz ISKPHPVORBWUCJ-GUDVDZBRSA-N 2 1 356.470 1.214 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001212409598 911778225 /nfs/dbraw/zinc/77/82/25/911778225.db2.gz ISKPHPVORBWUCJ-GUDVDZBRSA-N 2 1 356.470 1.214 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4nocc4C)[C@H]3C2)CC1 ZINC001085100451 920914210 /nfs/dbraw/zinc/91/42/10/920914210.db2.gz CLWZYRNWUJKJAX-XLIONFOSSA-N 2 1 370.497 1.751 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4nocc4C)[C@H]3C2)CC1 ZINC001085100451 920914216 /nfs/dbraw/zinc/91/42/16/920914216.db2.gz CLWZYRNWUJKJAX-XLIONFOSSA-N 2 1 370.497 1.751 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC001085604485 924968761 /nfs/dbraw/zinc/96/87/61/924968761.db2.gz JLJZKOXHQCKFJW-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC001085604485 924968763 /nfs/dbraw/zinc/96/87/63/924968763.db2.gz JLJZKOXHQCKFJW-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(OCC#N)cc2)CC[NH+]1C ZINC001085604485 924968766 /nfs/dbraw/zinc/96/87/66/924968766.db2.gz JLJZKOXHQCKFJW-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(OCC#N)cc2)CC[NH+]1C ZINC001085604485 924968772 /nfs/dbraw/zinc/96/87/72/924968772.db2.gz JLJZKOXHQCKFJW-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557826 931549582 /nfs/dbraw/zinc/54/95/82/931549582.db2.gz AENHEUPFKQIXIJ-ZWOKBUDYSA-N 2 1 364.534 1.237 20 30 FDEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086594920 933898279 /nfs/dbraw/zinc/89/82/79/933898279.db2.gz BCNKJIGCMFHSEC-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086594920 933898289 /nfs/dbraw/zinc/89/82/89/933898289.db2.gz BCNKJIGCMFHSEC-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086594920 933898301 /nfs/dbraw/zinc/89/83/01/933898301.db2.gz BCNKJIGCMFHSEC-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001086594920 933898311 /nfs/dbraw/zinc/89/83/11/933898311.db2.gz BCNKJIGCMFHSEC-GSEOLPGOSA-N 2 1 357.498 1.866 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130123445 938705315 /nfs/dbraw/zinc/70/53/15/938705315.db2.gz RJVWBIPHVJBVPP-OIISXLGYSA-N 2 1 357.462 1.179 20 30 FDEDMP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001130307694 938805362 /nfs/dbraw/zinc/80/53/62/938805362.db2.gz ZCLNYGYAOVVILW-XLIONFOSSA-N 2 1 364.534 1.378 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712881 939999832 /nfs/dbraw/zinc/99/98/32/939999832.db2.gz QHCBBPRWOSSLBM-ZIFCJYIRSA-N 2 1 359.518 1.612 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@H+](C)CCC)n2)O1 ZINC001130817183 940221159 /nfs/dbraw/zinc/22/11/59/940221159.db2.gz DSFKPPMIWZIRIN-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@@H+](C)CCC)n[nH]2)O1 ZINC001130817183 940221166 /nfs/dbraw/zinc/22/11/66/940221166.db2.gz DSFKPPMIWZIRIN-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@H+](C)CCC)n[nH]2)O1 ZINC001130817183 940221172 /nfs/dbraw/zinc/22/11/72/940221172.db2.gz DSFKPPMIWZIRIN-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001131008015 940434411 /nfs/dbraw/zinc/43/44/11/940434411.db2.gz RVVUCAVSZYAHSN-IPMKNSEASA-N 2 1 371.529 1.305 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cncn1C ZINC001131070076 940484287 /nfs/dbraw/zinc/48/42/87/940484287.db2.gz DYFITKOILYBASR-RCCFBDPRSA-N 2 1 359.518 1.755 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131089435 940494672 /nfs/dbraw/zinc/49/46/72/940494672.db2.gz HAPKFVBDBFBCMA-QZTJIDSGSA-N 2 1 368.485 1.313 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131318789 940551462 /nfs/dbraw/zinc/55/14/62/940551462.db2.gz QQLUDMFEIWDGQN-ZACQAIPSSA-N 2 1 364.490 1.009 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131318789 940551463 /nfs/dbraw/zinc/55/14/63/940551463.db2.gz QQLUDMFEIWDGQN-ZACQAIPSSA-N 2 1 364.490 1.009 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318789 940551464 /nfs/dbraw/zinc/55/14/64/940551464.db2.gz QQLUDMFEIWDGQN-ZACQAIPSSA-N 2 1 364.490 1.009 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318789 940551466 /nfs/dbraw/zinc/55/14/66/940551466.db2.gz QQLUDMFEIWDGQN-ZACQAIPSSA-N 2 1 364.490 1.009 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001086720832 941619896 /nfs/dbraw/zinc/61/98/96/941619896.db2.gz QRSAQVBWPXPMOB-IPELMVKDSA-N 2 1 358.461 1.693 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC001086720832 941619898 /nfs/dbraw/zinc/61/98/98/941619898.db2.gz QRSAQVBWPXPMOB-IPELMVKDSA-N 2 1 358.461 1.693 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC001086721033 941640377 /nfs/dbraw/zinc/64/03/77/941640377.db2.gz BTFYAVBOPYIJCF-JZXOWHBKSA-N 2 1 360.527 1.924 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2csc(C)n2)C1 ZINC001086721033 941640379 /nfs/dbraw/zinc/64/03/79/941640379.db2.gz BTFYAVBOPYIJCF-JZXOWHBKSA-N 2 1 360.527 1.924 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195581066 971051168 /nfs/dbraw/zinc/05/11/68/971051168.db2.gz MSAMNZQZHPFIBM-CEXWTWQISA-N 2 1 365.518 1.147 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001195581066 971051172 /nfs/dbraw/zinc/05/11/72/971051172.db2.gz MSAMNZQZHPFIBM-CEXWTWQISA-N 2 1 365.518 1.147 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001195581066 971051175 /nfs/dbraw/zinc/05/11/75/971051175.db2.gz MSAMNZQZHPFIBM-CEXWTWQISA-N 2 1 365.518 1.147 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC001195581066 971051184 /nfs/dbraw/zinc/05/11/84/971051184.db2.gz MSAMNZQZHPFIBM-CEXWTWQISA-N 2 1 365.518 1.147 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccc(OC)cc1 ZINC001090885028 947655442 /nfs/dbraw/zinc/65/54/42/947655442.db2.gz APFCWUGBLMPERK-RBUKOAKNSA-N 2 1 354.454 1.970 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092272598 954654365 /nfs/dbraw/zinc/65/43/65/954654365.db2.gz GXYOYXQYLOPMKG-VWPQPMDRSA-N 2 1 351.494 1.770 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092272598 954654370 /nfs/dbraw/zinc/65/43/70/954654370.db2.gz GXYOYXQYLOPMKG-VWPQPMDRSA-N 2 1 351.494 1.770 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@@]3(C)C2)C1 ZINC001092272598 954654371 /nfs/dbraw/zinc/65/43/71/954654371.db2.gz GXYOYXQYLOPMKG-VWPQPMDRSA-N 2 1 351.494 1.770 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cnn(CC)c2)C[C@H]1C ZINC001092688806 956193083 /nfs/dbraw/zinc/19/30/83/956193083.db2.gz ATMPKHPPIAFKHB-RLLQIKCJSA-N 2 1 371.529 1.227 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cnn(CC)c2)C[C@H]1C ZINC001092688806 956193091 /nfs/dbraw/zinc/19/30/91/956193091.db2.gz ATMPKHPPIAFKHB-RLLQIKCJSA-N 2 1 371.529 1.227 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1C ZINC001092688806 956193101 /nfs/dbraw/zinc/19/31/01/956193101.db2.gz ATMPKHPPIAFKHB-RLLQIKCJSA-N 2 1 371.529 1.227 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2cnn(CC)c2)C[C@H]1C ZINC001092688806 956193111 /nfs/dbraw/zinc/19/31/11/956193111.db2.gz ATMPKHPPIAFKHB-RLLQIKCJSA-N 2 1 371.529 1.227 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092931754 956946636 /nfs/dbraw/zinc/94/66/36/956946636.db2.gz ZSFYNWBCMGKWSE-IUODEOHRSA-N 2 1 358.324 1.921 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092931754 956946640 /nfs/dbraw/zinc/94/66/40/956946640.db2.gz ZSFYNWBCMGKWSE-IUODEOHRSA-N 2 1 358.324 1.921 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093459424 958180373 /nfs/dbraw/zinc/18/03/73/958180373.db2.gz SYKJYGSEQCDKES-LFGUQSLTSA-N 2 1 360.502 1.734 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001093673237 958516091 /nfs/dbraw/zinc/51/60/91/958516091.db2.gz MZAUPVZLSCBEDK-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C#C[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000775789834 972479602 /nfs/dbraw/zinc/47/96/02/972479602.db2.gz FFDNMGQNGPGQMK-LMCOJAPRSA-N 2 1 355.482 1.536 20 30 FDEDMP C#C[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCO1 ZINC000775789834 972479613 /nfs/dbraw/zinc/47/96/13/972479613.db2.gz FFDNMGQNGPGQMK-LMCOJAPRSA-N 2 1 355.482 1.536 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417149 960409012 /nfs/dbraw/zinc/40/90/12/960409012.db2.gz JYKAWSPGURWSMN-UYAOXDASSA-N 2 1 359.518 1.995 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](Cc1cnc(C)o1)CC2 ZINC001094436188 960425205 /nfs/dbraw/zinc/42/52/05/960425205.db2.gz AUWLNMIHSKCDFM-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](Cc1cnc(C)o1)CC2 ZINC001094436188 960425213 /nfs/dbraw/zinc/42/52/13/960425213.db2.gz AUWLNMIHSKCDFM-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cnc(C)o1)CC2 ZINC001094436188 960425225 /nfs/dbraw/zinc/42/52/25/960425225.db2.gz AUWLNMIHSKCDFM-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](Cc1cnc(C)o1)CC2 ZINC001094436188 960425232 /nfs/dbraw/zinc/42/52/32/960425232.db2.gz AUWLNMIHSKCDFM-QKNQBKEWSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C[C@H](C)OC)CC3)CC1 ZINC001094581459 960879838 /nfs/dbraw/zinc/87/98/38/960879838.db2.gz BOXKTESDZWMQJG-FBBABVLZSA-N 2 1 361.530 1.727 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543822 967033342 /nfs/dbraw/zinc/03/33/42/967033342.db2.gz JRHLUDUQRGCNKL-QFBILLFUSA-N 2 1 367.453 1.616 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC001189543822 967033348 /nfs/dbraw/zinc/03/33/48/967033348.db2.gz JRHLUDUQRGCNKL-QFBILLFUSA-N 2 1 367.453 1.616 20 30 FDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189660452 967170800 /nfs/dbraw/zinc/17/08/00/967170800.db2.gz QEEPSZWNXOOMLE-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189660452 967170803 /nfs/dbraw/zinc/17/08/03/967170803.db2.gz QEEPSZWNXOOMLE-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189660452 967170813 /nfs/dbraw/zinc/17/08/13/967170813.db2.gz QEEPSZWNXOOMLE-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000852873489 967680389 /nfs/dbraw/zinc/68/03/89/967680389.db2.gz WKPTWRUMKAGFGX-SFHVURJKSA-N 2 1 354.498 1.316 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCO1 ZINC000775794166 972532613 /nfs/dbraw/zinc/53/26/13/972532613.db2.gz PVCHUSDYICZLCZ-LEWJYISDSA-N 2 1 369.509 1.800 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@H]1CCCO1 ZINC000775794166 972532624 /nfs/dbraw/zinc/53/26/24/972532624.db2.gz PVCHUSDYICZLCZ-LEWJYISDSA-N 2 1 369.509 1.800 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000863550889 973007725 /nfs/dbraw/zinc/00/77/25/973007725.db2.gz CESOKMFEHPVAOT-MOPGFXCFSA-N 2 1 359.470 1.531 20 30 FDEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)[C@@H]1CCCO1 ZINC000776228378 975190843 /nfs/dbraw/zinc/19/08/43/975190843.db2.gz QGBUASFTWFNCPQ-SQNIBIBYSA-N 2 1 350.507 1.225 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849516230 977709204 /nfs/dbraw/zinc/70/92/04/977709204.db2.gz HCAOPXRALPBAOD-VQTJNVASSA-N 2 1 371.529 1.402 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849516230 977709212 /nfs/dbraw/zinc/70/92/12/977709212.db2.gz HCAOPXRALPBAOD-VQTJNVASSA-N 2 1 371.529 1.402 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883713187 982409779 /nfs/dbraw/zinc/40/97/79/982409779.db2.gz IVMJJDSENQQBHQ-UHFFFAOYSA-N 2 1 357.502 1.193 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884448922 983161582 /nfs/dbraw/zinc/16/15/82/983161582.db2.gz PXYALNBZFKEIQS-SVCPCHAPSA-N 2 1 352.482 1.764 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000362277649 988620835 /nfs/dbraw/zinc/62/08/35/988620835.db2.gz DVQOGKOLFWASSQ-GFCCVEGCSA-N 2 1 359.405 1.982 20 30 FDEDMP N#Cc1ccc(N2C(=O)C[C@H](N3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)C2=O)cc1 ZINC000364274801 989527256 /nfs/dbraw/zinc/52/72/56/989527256.db2.gz YDGHOBGWEYCWFY-AITUJVMLSA-N 2 1 364.449 1.606 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968725389 1015576932 /nfs/dbraw/zinc/57/69/32/1015576932.db2.gz VKZLIZABZFLXSW-ZTFGCOKTSA-N 2 1 356.470 1.598 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000876735675 992851979 /nfs/dbraw/zinc/85/19/79/992851979.db2.gz BEHJTJURNBPJTF-RHSMWYFYSA-N 2 1 351.878 1.993 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000876735675 992851991 /nfs/dbraw/zinc/85/19/91/992851991.db2.gz BEHJTJURNBPJTF-RHSMWYFYSA-N 2 1 351.878 1.993 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000876784794 992912999 /nfs/dbraw/zinc/91/29/99/992912999.db2.gz KEOQFMUXLYSUMZ-NVXWUHKLSA-N 2 1 350.894 1.783 20 30 FDEDMP C[C@H]1[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000925324817 995493798 /nfs/dbraw/zinc/49/37/98/995493798.db2.gz ZJTSOFRHWZZJPO-LPHOPBHVSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@H]1[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000925324817 995493805 /nfs/dbraw/zinc/49/38/05/995493805.db2.gz ZJTSOFRHWZZJPO-LPHOPBHVSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@H]1[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000925324817 995493811 /nfs/dbraw/zinc/49/38/11/995493811.db2.gz ZJTSOFRHWZZJPO-LPHOPBHVSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@H]1[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000925324819 995494792 /nfs/dbraw/zinc/49/47/92/995494792.db2.gz ZJTSOFRHWZZJPO-QFBILLFUSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@H]1[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000925324819 995494801 /nfs/dbraw/zinc/49/48/01/995494801.db2.gz ZJTSOFRHWZZJPO-QFBILLFUSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@H]1[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000925324819 995494809 /nfs/dbraw/zinc/49/48/09/995494809.db2.gz ZJTSOFRHWZZJPO-QFBILLFUSA-N 2 1 355.486 1.868 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(OCC(=O)N(C)C)c1 ZINC000264081756 997398181 /nfs/dbraw/zinc/39/81/81/997398181.db2.gz IUDNNVQYMYCGMS-MRXNPFEDSA-N 2 1 361.490 1.042 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000104170256 998312334 /nfs/dbraw/zinc/31/23/34/998312334.db2.gz PCKSBCCNHFODDC-OALUTQOASA-N 2 1 359.518 1.449 20 30 FDEDMP C[N@@H+](C[C@@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000289309328 1000089365 /nfs/dbraw/zinc/08/93/65/1000089365.db2.gz DUPIUZKUJIHWNX-LJQANCHMSA-N 2 1 356.470 1.664 20 30 FDEDMP CN(C[C@@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000289309328 1000089367 /nfs/dbraw/zinc/08/93/67/1000089367.db2.gz DUPIUZKUJIHWNX-LJQANCHMSA-N 2 1 356.470 1.664 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001111309627 1008923042 /nfs/dbraw/zinc/92/30/42/1008923042.db2.gz UFAYARLSFKCAHB-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001111309627 1008923045 /nfs/dbraw/zinc/92/30/45/1008923045.db2.gz UFAYARLSFKCAHB-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111309627 1008923052 /nfs/dbraw/zinc/92/30/52/1008923052.db2.gz UFAYARLSFKCAHB-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CCC)C2 ZINC001111309627 1008923055 /nfs/dbraw/zinc/92/30/55/1008923055.db2.gz UFAYARLSFKCAHB-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP CC[NH+](CC)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1 ZINC000303776917 1009576531 /nfs/dbraw/zinc/57/65/31/1009576531.db2.gz ICFGSOFONHVGFS-LJQANCHMSA-N 2 1 361.534 1.696 20 30 FDEDMP C=C(Cl)CN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000960277478 1009902720 /nfs/dbraw/zinc/90/27/20/1009902720.db2.gz CXDWDYDUGSEVDT-BNEJOLLZSA-N 2 1 363.889 1.830 20 30 FDEDMP Cn1cc(CNCc2ccccc2OCCN2CCOCC2)cc1C#N ZINC000190890909 178031273 /nfs/dbraw/zinc/03/12/73/178031273.db2.gz QQSWOJCWALTZCX-UHFFFAOYSA-N 2 1 354.454 1.898 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C)C(C)C ZINC000556205640 544117661 /nfs/dbraw/zinc/11/76/61/544117661.db2.gz GKSOMEBRZWGLJW-MSOLQXFVSA-N 2 1 364.534 1.354 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171764713 526112587 /nfs/dbraw/zinc/11/25/87/526112587.db2.gz YNMFYDIDQOEGBY-IBGZPJMESA-N 2 1 363.550 1.448 20 30 FDEDMP CCN(CC)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccsc1 ZINC000264101871 537136958 /nfs/dbraw/zinc/13/69/58/537136958.db2.gz OLUIFBGMHYHXRC-QGZVFWFLSA-N 2 1 367.563 1.758 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000304776151 537599168 /nfs/dbraw/zinc/59/91/68/537599168.db2.gz CYJAUJCUWMZKQX-SFHVURJKSA-N 3 1 364.582 1.325 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304776151 537599174 /nfs/dbraw/zinc/59/91/74/537599174.db2.gz CYJAUJCUWMZKQX-SFHVURJKSA-N 3 1 364.582 1.325 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304776151 537599180 /nfs/dbraw/zinc/59/91/80/537599180.db2.gz CYJAUJCUWMZKQX-SFHVURJKSA-N 3 1 364.582 1.325 20 30 FDEDMP CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424152211 538247812 /nfs/dbraw/zinc/24/78/12/538247812.db2.gz JBVLDIBMBHVIHT-FHWLQOOXSA-N 2 1 358.486 1.803 20 30 FDEDMP CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424152211 538247815 /nfs/dbraw/zinc/24/78/15/538247815.db2.gz JBVLDIBMBHVIHT-FHWLQOOXSA-N 2 1 358.486 1.803 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000561414842 545837956 /nfs/dbraw/zinc/83/79/56/545837956.db2.gz OXRIAMXVCIBVRX-KRWDZBQOSA-N 2 1 350.507 1.134 20 30 FDEDMP C=CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000577709230 550685446 /nfs/dbraw/zinc/68/54/46/550685446.db2.gz DNXZMUGMYGEHLQ-PMACEKPBSA-N 2 1 370.497 1.972 20 30 FDEDMP OC[C@@H]([NH2+]CC#CC[NH2+][C@H](CO)c1cccc(F)c1)c1cccc(F)c1 ZINC000578531504 550773769 /nfs/dbraw/zinc/77/37/69/550773769.db2.gz LHHLBXYVYBLGHQ-WOJBJXKFSA-N 2 1 360.404 1.914 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000592294015 551973830 /nfs/dbraw/zinc/97/38/30/551973830.db2.gz RKXVHDLDDWLKDD-SFHVURJKSA-N 2 1 352.523 1.683 20 30 FDEDMP N#Cc1ncc(C(F)(F)F)cc1-n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000600966989 553332111 /nfs/dbraw/zinc/33/21/11/553332111.db2.gz ORHJHZMQCMRZPD-UHFFFAOYSA-N 2 1 365.363 1.518 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000620749887 555979402 /nfs/dbraw/zinc/97/94/02/555979402.db2.gz QWPPHGSZCAQOJS-QZTJIDSGSA-N 2 1 360.502 1.029 20 30 FDEDMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000330274131 568077426 /nfs/dbraw/zinc/07/74/26/568077426.db2.gz JPMXHXRCJAEYIT-GHTZIAJQSA-N 2 1 372.513 1.706 20 30 FDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000104179691 671595128 /nfs/dbraw/zinc/59/51/28/671595128.db2.gz VMGOIJVRFICIGP-OAHLLOKOSA-N 2 1 353.511 1.586 20 30 FDEDMP CC[N@@H+](CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)C1CC1 ZINC000133956102 671824542 /nfs/dbraw/zinc/82/45/42/671824542.db2.gz QBBACFGXAMWXDD-HNNXBMFYSA-N 2 1 351.495 1.351 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000245513426 672448472 /nfs/dbraw/zinc/44/84/72/672448472.db2.gz AJGSTNWDRHRHNU-RBUKOAKNSA-N 2 1 350.551 1.901 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245513426 672448474 /nfs/dbraw/zinc/44/84/74/672448474.db2.gz AJGSTNWDRHRHNU-RBUKOAKNSA-N 2 1 350.551 1.901 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245513426 672448478 /nfs/dbraw/zinc/44/84/78/672448478.db2.gz AJGSTNWDRHRHNU-RBUKOAKNSA-N 2 1 350.551 1.901 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000262023116 672713437 /nfs/dbraw/zinc/71/34/37/672713437.db2.gz ZEMNSNHSMVOTOP-KBPBESRZSA-N 2 1 350.898 1.430 20 30 FDEDMP CC[NH+]=C(NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)NC1CCN(C(C)=O)CC1 ZINC000262176881 672741219 /nfs/dbraw/zinc/74/12/19/672741219.db2.gz DDDCLERBHGGHMW-CVEARBPZSA-N 2 1 351.539 1.673 20 30 FDEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262792868 672850300 /nfs/dbraw/zinc/85/03/00/672850300.db2.gz OQPZDAQAIXVDIC-JTOWHCCKSA-N 2 1 354.564 1.792 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1c(F)cccc1OC(F)F ZINC000267680552 673319659 /nfs/dbraw/zinc/31/96/59/673319659.db2.gz PJKZKYYERFAFNV-UHFFFAOYSA-N 2 1 360.380 1.554 20 30 FDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000303877821 676543511 /nfs/dbraw/zinc/54/35/11/676543511.db2.gz FRCKXTLHORDLCX-UHFFFAOYSA-N 2 1 351.470 1.231 20 30 FDEDMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303889634 676543815 /nfs/dbraw/zinc/54/38/15/676543815.db2.gz PPYAASXOQNSRHJ-IAGOWNOFSA-N 3 1 353.555 1.370 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369388117 677505466 /nfs/dbraw/zinc/50/54/66/677505466.db2.gz FCKSCZGFLZYORO-MOPGFXCFSA-N 2 1 350.551 1.900 20 30 FDEDMP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347427 680434425 /nfs/dbraw/zinc/43/44/25/680434425.db2.gz GQFIWUAAMBIMTG-DLBZAZTESA-N 2 1 362.543 1.631 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000469793323 684986427 /nfs/dbraw/zinc/98/64/27/684986427.db2.gz CXOWDEPZVBZNLX-BBWFWOEESA-N 2 1 350.507 1.664 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)NC2(C#N)CCC2)[C@@H](C)C1 ZINC000469793323 684986429 /nfs/dbraw/zinc/98/64/29/684986429.db2.gz CXOWDEPZVBZNLX-BBWFWOEESA-N 2 1 350.507 1.664 20 30 FDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481136 771872323 /nfs/dbraw/zinc/87/23/23/771872323.db2.gz FHALYNRHMWUOJB-KBGGIIEESA-N 2 1 357.498 1.091 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001211687859 805913986 /nfs/dbraw/zinc/91/39/86/805913986.db2.gz CWENJSXMAAZFPH-VQTJNVASSA-N 2 1 355.482 1.316 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)O1 ZINC001026514860 795489187 /nfs/dbraw/zinc/48/91/87/795489187.db2.gz UNWUQLGEJCVUOQ-BTWUCOSQSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(C#N)cc3)CC2)O1 ZINC001026514860 795489195 /nfs/dbraw/zinc/48/91/95/795489195.db2.gz UNWUQLGEJCVUOQ-BTWUCOSQSA-N 2 1 370.497 1.794 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1=O ZINC000662326720 806483595 /nfs/dbraw/zinc/48/35/95/806483595.db2.gz APPSCMNLRONVIC-IBGZPJMESA-N 2 1 357.502 1.843 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659321 800096572 /nfs/dbraw/zinc/09/65/72/800096572.db2.gz JXJBOCIQUHTIML-HBMCJLEFSA-N 2 1 369.509 1.703 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001211659321 800096581 /nfs/dbraw/zinc/09/65/81/800096581.db2.gz JXJBOCIQUHTIML-HBMCJLEFSA-N 2 1 369.509 1.703 20 30 FDEDMP C=CC[C@]1(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662693428 806963442 /nfs/dbraw/zinc/96/34/42/806963442.db2.gz VTYSQDUPRYCXGZ-OAQYLSRUSA-N 2 1 370.497 1.640 20 30 FDEDMP C=CC[C@@]1(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000662752885 803060481 /nfs/dbraw/zinc/06/04/81/803060481.db2.gz UZNIAHYEQJFFIY-NRFANRHFSA-N 2 1 370.497 1.640 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000664016346 810164901 /nfs/dbraw/zinc/16/49/01/810164901.db2.gz OARJNPKOBKLKHF-KRWDZBQOSA-N 3 1 353.555 1.598 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000664016346 810164907 /nfs/dbraw/zinc/16/49/07/810164907.db2.gz OARJNPKOBKLKHF-KRWDZBQOSA-N 3 1 353.555 1.598 20 30 FDEDMP C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261860931 811333593 /nfs/dbraw/zinc/33/35/93/811333593.db2.gz YLRYJELLFNPXHT-UWJYYQICSA-N 2 1 372.513 1.050 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001028627336 811636916 /nfs/dbraw/zinc/63/69/16/811636916.db2.gz BMROEKWNTUCMDY-JTDSTZFVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3C#N)C2)O1 ZINC001028627336 811636922 /nfs/dbraw/zinc/63/69/22/811636922.db2.gz BMROEKWNTUCMDY-JTDSTZFVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)O1 ZINC001028627336 811636929 /nfs/dbraw/zinc/63/69/29/811636929.db2.gz BMROEKWNTUCMDY-JTDSTZFVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)O1 ZINC001028627336 811636939 /nfs/dbraw/zinc/63/69/39/811636939.db2.gz BMROEKWNTUCMDY-JTDSTZFVSA-N 2 1 356.470 1.215 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366411549 811996070 /nfs/dbraw/zinc/99/60/70/811996070.db2.gz YZBKKNOUEKWSKG-SFHVURJKSA-N 2 1 371.485 1.395 20 30 FDEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000366411549 811996075 /nfs/dbraw/zinc/99/60/75/811996075.db2.gz YZBKKNOUEKWSKG-SFHVURJKSA-N 2 1 371.485 1.395 20 30 FDEDMP Cc1nnc(CNC(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)=[NH+]C2CCCC2)n1C ZINC000261940445 816954458 /nfs/dbraw/zinc/95/44/58/816954458.db2.gz DLEWNMFRYPYQLO-CZUORRHYSA-N 2 1 359.522 1.727 20 30 FDEDMP N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000519697880 819007071 /nfs/dbraw/zinc/00/70/71/819007071.db2.gz JKWAXYLXQBUMCB-SFHVURJKSA-N 2 1 353.470 1.917 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3conc3C)[C@@H]2CC)CC1 ZINC001087839966 822558831 /nfs/dbraw/zinc/55/88/31/822558831.db2.gz BNQORJWOSMPLCB-RBUKOAKNSA-N 2 1 358.486 1.797 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCCOC3)[C@@H]2CC)CC1 ZINC001087840079 822558898 /nfs/dbraw/zinc/55/88/98/822558898.db2.gz GUJSHTOYBVOBBU-YZGWKJHDSA-N 2 1 361.530 1.727 20 30 FDEDMP CC[NH+]1CCN(c2ccc(CNC(=O)N3CC[N@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000329356791 824752337 /nfs/dbraw/zinc/75/23/37/824752337.db2.gz HBOLOWLSZVWYJJ-GOSISDBHSA-N 2 1 372.517 1.418 20 30 FDEDMP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000329933876 825551386 /nfs/dbraw/zinc/55/13/86/825551386.db2.gz BTKAHFBEWSLNCB-GOSISDBHSA-N 2 1 360.502 1.563 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(C#N)cs1 ZINC000897293492 827766528 /nfs/dbraw/zinc/76/65/28/827766528.db2.gz ZGQWVYLBWNBXDQ-OAHLLOKOSA-N 2 1 364.519 1.572 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179070129 827814619 /nfs/dbraw/zinc/81/46/19/827814619.db2.gz NMUWQHGDOYMJPX-HKUYNNGSSA-N 2 1 356.514 1.946 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001029767582 828031719 /nfs/dbraw/zinc/03/17/19/828031719.db2.gz UXEAFCZFQMMTFP-NSISKUIASA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001029767582 828031727 /nfs/dbraw/zinc/03/17/27/828031727.db2.gz UXEAFCZFQMMTFP-NSISKUIASA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001029767582 828031738 /nfs/dbraw/zinc/03/17/38/828031738.db2.gz UXEAFCZFQMMTFP-NSISKUIASA-N 2 1 370.497 1.558 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3ccc(C#N)cc3)C2)O1 ZINC001029767582 828031745 /nfs/dbraw/zinc/03/17/45/828031745.db2.gz UXEAFCZFQMMTFP-NSISKUIASA-N 2 1 370.497 1.558 20 30 FDEDMP C[NH+]=C(NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)N1CCC(O)CC1 ZINC000262805052 831514961 /nfs/dbraw/zinc/51/49/61/831514961.db2.gz RVNGJVXIFZIGHY-UHFFFAOYSA-N 2 1 366.550 1.832 20 30 FDEDMP C[NH+]=C(NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)N1CCC(O)CC1 ZINC000262805052 831514966 /nfs/dbraw/zinc/51/49/66/831514966.db2.gz RVNGJVXIFZIGHY-UHFFFAOYSA-N 2 1 366.550 1.832 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112207814 831945876 /nfs/dbraw/zinc/94/58/76/831945876.db2.gz IAXQZWTZMBHAEL-RBSFLKMASA-N 2 1 363.424 1.652 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112207814 831945879 /nfs/dbraw/zinc/94/58/79/831945879.db2.gz IAXQZWTZMBHAEL-RBSFLKMASA-N 2 1 363.424 1.652 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105669941 844338335 /nfs/dbraw/zinc/33/83/35/844338335.db2.gz WSDXTCRWVYOHOP-IZBJGVDFSA-N 2 1 358.486 1.181 20 30 FDEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083524010 846245600 /nfs/dbraw/zinc/24/56/00/846245600.db2.gz CWGVNAPGPJODAX-AQNXPRMDSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083524010 846245606 /nfs/dbraw/zinc/24/56/06/846245606.db2.gz CWGVNAPGPJODAX-AQNXPRMDSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083524010 846245616 /nfs/dbraw/zinc/24/56/16/846245616.db2.gz CWGVNAPGPJODAX-AQNXPRMDSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC001083524010 846245623 /nfs/dbraw/zinc/24/56/23/846245623.db2.gz CWGVNAPGPJODAX-AQNXPRMDSA-N 2 1 370.497 1.482 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1C#N ZINC001076573737 848447239 /nfs/dbraw/zinc/44/72/39/848447239.db2.gz YBYKFKIQZFQZCB-PKOBYXMFSA-N 2 1 368.481 1.695 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1C#N ZINC001076573737 848447248 /nfs/dbraw/zinc/44/72/48/848447248.db2.gz YBYKFKIQZFQZCB-PKOBYXMFSA-N 2 1 368.481 1.695 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001076569494 848467518 /nfs/dbraw/zinc/46/75/18/848467518.db2.gz YTDFMCHNXFUYAZ-JENIJYKNSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001076569494 848467522 /nfs/dbraw/zinc/46/75/22/848467522.db2.gz YTDFMCHNXFUYAZ-JENIJYKNSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001076569494 848467527 /nfs/dbraw/zinc/46/75/27/848467527.db2.gz YTDFMCHNXFUYAZ-JENIJYKNSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001076569494 848467532 /nfs/dbraw/zinc/46/75/32/848467532.db2.gz YTDFMCHNXFUYAZ-JENIJYKNSA-N 2 1 356.445 1.682 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4c(C)noc4C)C[C@H]32)CC1 ZINC001076604700 848554535 /nfs/dbraw/zinc/55/45/35/848554535.db2.gz RWOQBHWSXIWIGL-AZUAARDMSA-N 2 1 370.497 1.669 20 30 FDEDMP C=C(CC[NH+](C)C)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000908144555 855091038 /nfs/dbraw/zinc/09/10/38/855091038.db2.gz ICGFRUOXYUMMCY-NRFANRHFSA-N 2 1 370.541 1.913 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000669032123 860845613 /nfs/dbraw/zinc/84/56/13/860845613.db2.gz AXEBRRURQXELOS-XDNAFOTISA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC000669032123 860845628 /nfs/dbraw/zinc/84/56/28/860845628.db2.gz AXEBRRURQXELOS-XDNAFOTISA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C ZINC000669032123 860845642 /nfs/dbraw/zinc/84/56/42/860845642.db2.gz AXEBRRURQXELOS-XDNAFOTISA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001088899104 865323989 /nfs/dbraw/zinc/32/39/89/865323989.db2.gz MPUCBBOEDMIDJT-NJAFHUGGSA-N 2 1 362.518 1.084 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCn3nc(C)cc3C)[C@@H]2C)CC1 ZINC001089059362 866384939 /nfs/dbraw/zinc/38/49/39/866384939.db2.gz JGDGXJWKWSFBAK-QUCCMNQESA-N 2 1 371.529 1.424 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCOc3ccccc3)[C@@H]2C)CC1 ZINC001089060030 866390357 /nfs/dbraw/zinc/39/03/57/866390357.db2.gz OXTVHVGXXJGHIU-NQIIRXRSSA-N 2 1 369.509 1.990 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000914078979 870645966 /nfs/dbraw/zinc/64/59/66/870645966.db2.gz MJMWDIBKJRUCEW-UHFFFAOYSA-N 2 1 354.498 1.832 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001106665819 876475646 /nfs/dbraw/zinc/47/56/46/876475646.db2.gz CSNMASHTSVVPRI-MBOZVWFJSA-N 2 1 367.509 1.533 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1C ZINC001106672298 876513898 /nfs/dbraw/zinc/51/38/98/876513898.db2.gz PBCJBKHTQKYCFF-TZIWHRDSSA-N 2 1 371.525 1.495 20 30 FDEDMP C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001034324297 884195045 /nfs/dbraw/zinc/19/50/45/884195045.db2.gz UGLSGWHJAWUGRL-KSZLIROESA-N 2 1 351.491 1.023 20 30 FDEDMP Cc1ccc2c(CCNC(=[NH2+])NCCC[NH+]3CCOCC3)cn(C)c2c1 ZINC000187144454 888940321 /nfs/dbraw/zinc/94/03/21/888940321.db2.gz DBVXMWKJENRMNK-UHFFFAOYSA-N 2 1 357.502 1.656 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944258 896419976 /nfs/dbraw/zinc/41/99/76/896419976.db2.gz ASHBHKMRKMDHKB-FGTMMUONSA-N 2 1 365.518 1.269 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944258 896419990 /nfs/dbraw/zinc/41/99/90/896419990.db2.gz ASHBHKMRKMDHKB-FGTMMUONSA-N 2 1 365.518 1.269 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944258 896419997 /nfs/dbraw/zinc/41/99/97/896419997.db2.gz ASHBHKMRKMDHKB-FGTMMUONSA-N 2 1 365.518 1.269 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944258 896420004 /nfs/dbraw/zinc/42/00/04/896420004.db2.gz ASHBHKMRKMDHKB-FGTMMUONSA-N 2 1 365.518 1.269 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212428306 896909633 /nfs/dbraw/zinc/90/96/33/896909633.db2.gz WKTMVJDVTJKGFC-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212428306 896909637 /nfs/dbraw/zinc/90/96/37/896909637.db2.gz WKTMVJDVTJKGFC-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212428306 896909640 /nfs/dbraw/zinc/90/96/40/896909640.db2.gz WKTMVJDVTJKGFC-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212428306 896909647 /nfs/dbraw/zinc/90/96/47/896909647.db2.gz WKTMVJDVTJKGFC-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CC1(C)[C@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C[C@@H]1OCc1ccccc1 ZINC000184651235 898344966 /nfs/dbraw/zinc/34/49/66/898344966.db2.gz GEDQDOLKKAGZFN-MOPGFXCFSA-N 2 1 374.529 1.997 20 30 FDEDMP CC#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079147012 901970389 /nfs/dbraw/zinc/97/03/89/901970389.db2.gz RXEUABLURJQIKN-VAMGGRTRSA-N 2 1 355.482 1.035 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079147012 901970395 /nfs/dbraw/zinc/97/03/95/901970395.db2.gz RXEUABLURJQIKN-VAMGGRTRSA-N 2 1 355.482 1.035 20 30 FDEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079147012 901970402 /nfs/dbraw/zinc/97/04/02/901970402.db2.gz RXEUABLURJQIKN-VAMGGRTRSA-N 2 1 355.482 1.035 20 30 FDEDMP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079147012 901970415 /nfs/dbraw/zinc/97/04/15/901970415.db2.gz RXEUABLURJQIKN-VAMGGRTRSA-N 2 1 355.482 1.035 20 30 FDEDMP CC#CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001079147012 901970416 /nfs/dbraw/zinc/97/04/16/901970416.db2.gz RXEUABLURJQIKN-VAMGGRTRSA-N 2 1 355.482 1.035 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259901 902296461 /nfs/dbraw/zinc/29/64/61/902296461.db2.gz UIKBJHXMQOBIKM-GBESFXJTSA-N 2 1 359.514 1.291 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260774 902298628 /nfs/dbraw/zinc/29/86/28/902298628.db2.gz ORNQEUQFGFIESZ-CEXWTWQISA-N 2 1 359.514 1.433 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001080255047 905063455 /nfs/dbraw/zinc/06/34/55/905063455.db2.gz NQJNIQNYZGBNPK-BRWVUGGUSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001080255047 905063476 /nfs/dbraw/zinc/06/34/76/905063476.db2.gz NQJNIQNYZGBNPK-BRWVUGGUSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408962 907822099 /nfs/dbraw/zinc/82/20/99/907822099.db2.gz QHEHQENBPZYYRO-HAGHYFMRSA-N 2 1 361.530 1.985 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001082567824 908701877 /nfs/dbraw/zinc/70/18/77/908701877.db2.gz DOKAPZQVVAZZRT-OLMNPRSZSA-N 2 1 356.495 1.654 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC001082567824 908701887 /nfs/dbraw/zinc/70/18/87/908701887.db2.gz DOKAPZQVVAZZRT-OLMNPRSZSA-N 2 1 356.495 1.654 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)c(C)s2)C1 ZINC001082568040 908706723 /nfs/dbraw/zinc/70/67/23/908706723.db2.gz UGCRIAMCJFPKFV-XYPHTWIQSA-N 2 1 360.527 1.794 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2nc(C)c(C)s2)C1 ZINC001082568040 908706735 /nfs/dbraw/zinc/70/67/35/908706735.db2.gz UGCRIAMCJFPKFV-XYPHTWIQSA-N 2 1 360.527 1.794 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082920176 910889673 /nfs/dbraw/zinc/88/96/73/910889673.db2.gz UCHLKXPYOXSXKD-SZVBFZGTSA-N 2 1 356.470 1.477 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085242591 923118093 /nfs/dbraw/zinc/11/80/93/923118093.db2.gz YMJCNVWKLSVNKQ-KBUPBQIOSA-N 2 1 374.323 1.631 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085242591 923118099 /nfs/dbraw/zinc/11/80/99/923118099.db2.gz YMJCNVWKLSVNKQ-KBUPBQIOSA-N 2 1 374.323 1.631 20 30 FDEDMP C[NH+](C)CCCNC(=S)N[NH+]=Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000771561979 930743400 /nfs/dbraw/zinc/74/34/00/930743400.db2.gz ZGNFDJUSBPBLHT-UHFFFAOYSA-N 3 1 362.547 1.188 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961185 930890416 /nfs/dbraw/zinc/89/04/16/930890416.db2.gz QWTHNMAFGZTODP-AABGKKOBSA-N 2 1 359.514 1.480 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC3CC3)CC1)C2 ZINC001109961185 930890420 /nfs/dbraw/zinc/89/04/20/930890420.db2.gz QWTHNMAFGZTODP-AABGKKOBSA-N 2 1 359.514 1.480 20 30 FDEDMP C=CCOCC[NH+]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001112862493 932644398 /nfs/dbraw/zinc/64/43/98/932644398.db2.gz NBVXNLSWJSJSOD-MOPGFXCFSA-N 2 1 365.518 1.080 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892075 938542635 /nfs/dbraw/zinc/54/26/35/938542635.db2.gz GCSBFLBTVPGBHT-IKGGRYGDSA-N 2 1 369.473 1.360 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001130140358 938712359 /nfs/dbraw/zinc/71/23/59/938712359.db2.gz WYWNUVOEASKOKZ-CVEARBPZSA-N 2 1 366.897 1.248 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001130610264 939907553 /nfs/dbraw/zinc/90/75/53/939907553.db2.gz FJGIAAFNAIQDLK-WSTZPKSXSA-N 2 1 371.529 1.305 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130627177 939924626 /nfs/dbraw/zinc/92/46/26/939924626.db2.gz YOMWCVFVQBWRDX-FUHWJXTLSA-N 2 1 356.474 1.475 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1c1cn(C)cn1 ZINC001130721897 940025915 /nfs/dbraw/zinc/02/59/15/940025915.db2.gz VGGJKRNLATVEBO-DSKINZAPSA-N 2 1 371.529 1.756 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1c1cncn1C ZINC001131007710 940434113 /nfs/dbraw/zinc/43/41/13/940434113.db2.gz HNVDGZBVYAJJFA-QZTJIDSGSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001086720924 941620697 /nfs/dbraw/zinc/62/06/97/941620697.db2.gz VNMNVOQWDAYZPA-HBMCJLEFSA-N 2 1 369.509 1.651 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC001086720924 941620701 /nfs/dbraw/zinc/62/07/01/941620701.db2.gz VNMNVOQWDAYZPA-HBMCJLEFSA-N 2 1 369.509 1.651 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000815860724 941995912 /nfs/dbraw/zinc/99/59/12/941995912.db2.gz XVHKMJTZKGDCSQ-UHFFFAOYSA-N 2 1 370.497 1.335 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000819333971 943530413 /nfs/dbraw/zinc/53/04/13/943530413.db2.gz AIFWJSAEUFLEBB-OAHLLOKOSA-N 2 1 373.266 1.873 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000819333971 943530418 /nfs/dbraw/zinc/53/04/18/943530418.db2.gz AIFWJSAEUFLEBB-OAHLLOKOSA-N 2 1 373.266 1.873 20 30 FDEDMP C#CC[N@H+]1CCCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC001136862862 946358078 /nfs/dbraw/zinc/35/80/78/946358078.db2.gz FGOCMYDQELDQJY-UHFFFAOYSA-N 2 1 368.525 1.675 20 30 FDEDMP C#CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC001136862862 946358089 /nfs/dbraw/zinc/35/80/89/946358089.db2.gz FGOCMYDQELDQJY-UHFFFAOYSA-N 2 1 368.525 1.675 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001091097785 949318331 /nfs/dbraw/zinc/31/83/31/949318331.db2.gz VPILZFLMRURJOM-QROZZAMVSA-N 2 1 362.499 1.323 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001091097785 949318350 /nfs/dbraw/zinc/31/83/50/949318350.db2.gz VPILZFLMRURJOM-QROZZAMVSA-N 2 1 362.499 1.323 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@@]2(C)C1 ZINC001091749456 952789104 /nfs/dbraw/zinc/78/91/04/952789104.db2.gz JYRXFLKQDVWSEC-KPFFTGBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnc(C)o3)C[C@@]2(C)C1 ZINC001091749456 952789106 /nfs/dbraw/zinc/78/91/06/952789106.db2.gz JYRXFLKQDVWSEC-KPFFTGBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnc(C)o3)C[C@@]2(C)C1 ZINC001091749456 952789113 /nfs/dbraw/zinc/78/91/13/952789113.db2.gz JYRXFLKQDVWSEC-KPFFTGBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnc(C)o3)C[C@@]2(C)C1 ZINC001091749456 952789115 /nfs/dbraw/zinc/78/91/15/952789115.db2.gz JYRXFLKQDVWSEC-KPFFTGBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccccn3)C[C@@]2(C)C1 ZINC001091748446 952794084 /nfs/dbraw/zinc/79/40/84/952794084.db2.gz LSHGBAOKXHGYGK-LMNJBCLMSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccccn3)C[C@@]2(C)C1 ZINC001091748446 952794089 /nfs/dbraw/zinc/79/40/89/952794089.db2.gz LSHGBAOKXHGYGK-LMNJBCLMSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@]2(C)C1 ZINC001091748446 952794092 /nfs/dbraw/zinc/79/40/92/952794092.db2.gz LSHGBAOKXHGYGK-LMNJBCLMSA-N 2 1 352.482 1.460 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccccn3)C[C@@]2(C)C1 ZINC001091748446 952794095 /nfs/dbraw/zinc/79/40/95/952794095.db2.gz LSHGBAOKXHGYGK-LMNJBCLMSA-N 2 1 352.482 1.460 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001086880950 952911951 /nfs/dbraw/zinc/91/19/51/952911951.db2.gz WQDZFCZJPSMXHM-PWIZWCRZSA-N 2 1 370.497 1.653 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001086880950 952911954 /nfs/dbraw/zinc/91/19/54/952911954.db2.gz WQDZFCZJPSMXHM-PWIZWCRZSA-N 2 1 370.497 1.653 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cnn(C)c1 ZINC001086996755 953038479 /nfs/dbraw/zinc/03/84/79/953038479.db2.gz TUPHVLMSJJWZCA-BHYGNILZSA-N 2 1 365.909 1.541 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cnn(C)c1 ZINC001086996755 953038484 /nfs/dbraw/zinc/03/84/84/953038484.db2.gz TUPHVLMSJJWZCA-BHYGNILZSA-N 2 1 365.909 1.541 20 30 FDEDMP C[C@]12CN(C(=O)C[NH+]3CCCC3)C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC001092275605 954668873 /nfs/dbraw/zinc/66/88/73/954668873.db2.gz KPTHJMNDFVMQTH-CTNGQTDRSA-N 2 1 352.482 1.934 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C)on4)C[C@@]3(C)C2)CC1 ZINC001092299567 954745880 /nfs/dbraw/zinc/74/58/80/954745880.db2.gz BNNCEODVXQAHLO-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cc(C)on4)C[C@@]3(C)C2)CC1 ZINC001092299567 954745887 /nfs/dbraw/zinc/74/58/87/954745887.db2.gz BNNCEODVXQAHLO-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522870 955318208 /nfs/dbraw/zinc/31/82/08/955318208.db2.gz WPDWFNMIPPFYJT-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522870 955318220 /nfs/dbraw/zinc/31/82/20/955318220.db2.gz WPDWFNMIPPFYJT-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092522870 955318224 /nfs/dbraw/zinc/31/82/24/955318224.db2.gz WPDWFNMIPPFYJT-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092522870 955318234 /nfs/dbraw/zinc/31/82/34/955318234.db2.gz WPDWFNMIPPFYJT-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC001092688786 956193493 /nfs/dbraw/zinc/19/34/93/956193493.db2.gz AEABQPQINSSIMS-AYWYSENESA-N 2 1 369.509 1.502 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC001092688786 956193499 /nfs/dbraw/zinc/19/34/99/956193499.db2.gz AEABQPQINSSIMS-AYWYSENESA-N 2 1 369.509 1.502 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC001092688786 956193508 /nfs/dbraw/zinc/19/35/08/956193508.db2.gz AEABQPQINSSIMS-AYWYSENESA-N 2 1 369.509 1.502 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](C[C@@H](O)c2ccccc2)C[C@H]1C ZINC001092688786 956193515 /nfs/dbraw/zinc/19/35/15/956193515.db2.gz AEABQPQINSSIMS-AYWYSENESA-N 2 1 369.509 1.502 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCn2nc(C)cc2C)C[C@H]1C ZINC001092690062 956198694 /nfs/dbraw/zinc/19/86/94/956198694.db2.gz ZBEFZBWIAVQCLC-AHRSYUTCSA-N 2 1 371.529 1.282 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCn2nc(C)cc2C)C[C@H]1C ZINC001092690062 956198699 /nfs/dbraw/zinc/19/86/99/956198699.db2.gz ZBEFZBWIAVQCLC-AHRSYUTCSA-N 2 1 371.529 1.282 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1C ZINC001092690062 956198708 /nfs/dbraw/zinc/19/87/08/956198708.db2.gz ZBEFZBWIAVQCLC-AHRSYUTCSA-N 2 1 371.529 1.282 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCn2nc(C)cc2C)C[C@H]1C ZINC001092690062 956198712 /nfs/dbraw/zinc/19/87/12/956198712.db2.gz ZBEFZBWIAVQCLC-AHRSYUTCSA-N 2 1 371.529 1.282 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132865 957616949 /nfs/dbraw/zinc/61/69/49/957616949.db2.gz DAQOMPBDBANXEQ-CRAIPNDOSA-N 2 1 370.472 1.977 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132865 957616952 /nfs/dbraw/zinc/61/69/52/957616952.db2.gz DAQOMPBDBANXEQ-CRAIPNDOSA-N 2 1 370.472 1.977 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001093672992 958514718 /nfs/dbraw/zinc/51/47/18/958514718.db2.gz HOLVKRXZWXKBOQ-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)C1=O ZINC001110148320 958569908 /nfs/dbraw/zinc/56/99/08/958569908.db2.gz UPHJCPWKDMGFSW-XWSJACJDSA-N 2 1 374.529 1.371 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCC[NH+]2CCCC2)C3)C1=O ZINC001110148320 958569914 /nfs/dbraw/zinc/56/99/14/958569914.db2.gz UPHJCPWKDMGFSW-XWSJACJDSA-N 2 1 374.529 1.371 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2scnc2C)[C@H](C)C1 ZINC001093833194 958928289 /nfs/dbraw/zinc/92/82/89/958928289.db2.gz XQJMLTBEZNAWNR-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2scnc2C)[C@H](C)C1 ZINC001093833194 958928301 /nfs/dbraw/zinc/92/83/01/958928301.db2.gz XQJMLTBEZNAWNR-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001094220004 960041172 /nfs/dbraw/zinc/04/11/72/960041172.db2.gz ZUOBEQWDCYKAFK-FHLIZLRMSA-N 2 1 358.461 1.833 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562765 966396706 /nfs/dbraw/zinc/39/67/06/966396706.db2.gz RXCUWTACEHLGNV-RLFYNMQTSA-N 2 1 367.453 1.171 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562765 966396719 /nfs/dbraw/zinc/39/67/19/966396719.db2.gz RXCUWTACEHLGNV-RLFYNMQTSA-N 2 1 367.453 1.171 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCCOC(C)C)C[C@H]32)CC1 ZINC001190318698 967732735 /nfs/dbraw/zinc/73/27/35/967732735.db2.gz SGKMHLSOGIAAIH-VQTJNVASSA-N 2 1 361.530 1.679 20 30 FDEDMP Cc1cc(N2CCC(NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)nc(C)[nH+]1 ZINC000884230036 983004289 /nfs/dbraw/zinc/00/42/89/983004289.db2.gz HJSIQHPMXSHVFU-NGEICVOHSA-N 2 1 368.485 1.318 20 30 FDEDMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1 ZINC000884465910 983171168 /nfs/dbraw/zinc/17/11/68/983171168.db2.gz MSCDJKMVNZQOQQ-KYBDOYODSA-N 2 1 352.482 1.825 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363393604 989157157 /nfs/dbraw/zinc/15/71/57/989157157.db2.gz SXXRIWZPMHMTKX-ZIFCJYIRSA-N 2 1 364.534 1.920 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363393604 989157162 /nfs/dbraw/zinc/15/71/62/989157162.db2.gz SXXRIWZPMHMTKX-ZIFCJYIRSA-N 2 1 364.534 1.920 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000297067323 989469995 /nfs/dbraw/zinc/46/99/95/989469995.db2.gz LVXXCWPXHOOENU-UHFFFAOYSA-N 2 1 361.490 1.166 20 30 FDEDMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 ZINC000371093183 990242507 /nfs/dbraw/zinc/24/25/07/990242507.db2.gz JGRQVUQITODOER-SFHVURJKSA-N 2 1 363.506 1.117 20 30 FDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000875712174 991929807 /nfs/dbraw/zinc/92/98/07/991929807.db2.gz CFJIJDHCMMHHLU-HNAYVOBHSA-N 2 1 357.502 1.597 20 30 FDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000875712174 991929810 /nfs/dbraw/zinc/92/98/10/991929810.db2.gz CFJIJDHCMMHHLU-HNAYVOBHSA-N 2 1 357.502 1.597 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000923642528 992032970 /nfs/dbraw/zinc/03/29/70/992032970.db2.gz UQUVDAHXZUPPKC-HXUWFJFHSA-N 2 1 354.498 1.966 20 30 FDEDMP C#CCC1(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CCOCC1 ZINC000925424139 995586640 /nfs/dbraw/zinc/58/66/40/995586640.db2.gz UITZZBCZDDMKCN-UHFFFAOYSA-N 2 1 361.530 1.871 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1 ZINC000264090026 997399708 /nfs/dbraw/zinc/39/97/08/997399708.db2.gz KSBNUSWYTVZIAF-SFHVURJKSA-N 2 1 357.502 1.698 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNc1ccc2ccccc2n1 ZINC000264110737 997403807 /nfs/dbraw/zinc/40/38/07/997403807.db2.gz QUBITFQTAVMWFO-UHFFFAOYSA-N 2 1 356.474 1.273 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC000826627951 998282649 /nfs/dbraw/zinc/28/26/49/998282649.db2.gz RBNKXEQQZRKVRC-HDICACEKSA-N 2 1 364.534 1.521 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[NH+]1C(C)C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000826627951 998282661 /nfs/dbraw/zinc/28/26/61/998282661.db2.gz RBNKXEQQZRKVRC-HDICACEKSA-N 2 1 364.534 1.521 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[NH+]1C(C)C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000826627951 998282677 /nfs/dbraw/zinc/28/26/77/998282677.db2.gz RBNKXEQQZRKVRC-HDICACEKSA-N 2 1 364.534 1.521 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCN1C(=O)c2ccccc2C1=O ZINC000267439780 999335997 /nfs/dbraw/zinc/33/59/97/999335997.db2.gz OWNQQDODSSJPBQ-OAHLLOKOSA-N 2 1 371.485 1.451 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288668154 1000036637 /nfs/dbraw/zinc/03/66/37/1000036637.db2.gz HHDMKKCSYJQQPZ-QGZVFWFLSA-N 3 1 362.522 1.301 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(COC)OCCc2ccccc21 ZINC000290691933 1000153551 /nfs/dbraw/zinc/15/35/51/1000153551.db2.gz RETHJARLCRZXTB-XLIONFOSSA-N 2 1 360.502 1.490 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956361 1001720510 /nfs/dbraw/zinc/72/05/10/1001720510.db2.gz FPDJMEBDLXEYLT-KURKYZTESA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001110956361 1001720516 /nfs/dbraw/zinc/72/05/16/1001720516.db2.gz FPDJMEBDLXEYLT-KURKYZTESA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001111021530 1004655905 /nfs/dbraw/zinc/65/59/05/1004655905.db2.gz XNQMFXYHUCMYNN-MKXGPGLRSA-N 2 1 374.529 1.250 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccccc1)N1CCOCC1 ZINC000245910880 1006209001 /nfs/dbraw/zinc/20/90/01/1006209001.db2.gz PCKSBCCNHFODDC-RTBURBONSA-N 2 1 359.518 1.449 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000249388063 1008206563 /nfs/dbraw/zinc/20/65/63/1008206563.db2.gz XGQOVIIFQVBIBT-PMACEKPBSA-N 3 1 373.545 1.666 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000249388063 1008206564 /nfs/dbraw/zinc/20/65/64/1008206564.db2.gz XGQOVIIFQVBIBT-PMACEKPBSA-N 3 1 373.545 1.666 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000249388063 1008206565 /nfs/dbraw/zinc/20/65/65/1008206565.db2.gz XGQOVIIFQVBIBT-PMACEKPBSA-N 3 1 373.545 1.666 20 30 FDEDMP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000303903364 1009685772 /nfs/dbraw/zinc/68/57/72/1009685772.db2.gz UJRJRMSYMZKRFT-CVEARBPZSA-N 2 1 367.538 1.974 20 30 FDEDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCCCC3)c2)C1 ZINC000304759133 1010477567 /nfs/dbraw/zinc/47/75/67/1010477567.db2.gz QUTBRCXHGVQKNF-GOSISDBHSA-N 2 1 357.502 1.685 20 30 FDEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000075935770 522995392 /nfs/dbraw/zinc/99/53/92/522995392.db2.gz VSDVICNJZQMZNB-IRXDYDNUSA-N 2 1 350.507 1.570 20 30 FDEDMP N#CCCN(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000051958764 523099283 /nfs/dbraw/zinc/09/92/83/523099283.db2.gz CBJJBHWGGNVOGD-UHFFFAOYSA-N 2 1 370.497 1.977 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000066921738 523266593 /nfs/dbraw/zinc/26/65/93/523266593.db2.gz JPHFOIUQEMHQTE-UHFFFAOYSA-N 2 1 355.482 1.845 20 30 FDEDMP C[C@H](CCNC(=[NH2+])NCCCN1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000083052662 524234728 /nfs/dbraw/zinc/23/47/28/524234728.db2.gz IWDZFOGFEOSMKH-GOSISDBHSA-N 2 1 361.534 1.524 20 30 FDEDMP C[C@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000083052662 524234738 /nfs/dbraw/zinc/23/47/38/524234738.db2.gz IWDZFOGFEOSMKH-GOSISDBHSA-N 3 1 361.534 1.524 20 30 FDEDMP C[C@H](CCNC(=[NH2+])NCCC[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000083052662 524234751 /nfs/dbraw/zinc/23/47/51/524234751.db2.gz IWDZFOGFEOSMKH-GOSISDBHSA-N 3 1 361.534 1.524 20 30 FDEDMP Cc1[nH+]ccn1CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120438 524476005 /nfs/dbraw/zinc/47/60/05/524476005.db2.gz ARYSFORQWHKWOG-HNNXBMFYSA-N 2 1 362.478 1.462 20 30 FDEDMP CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CC[N@H+](C4CC4)C3)=[NH+]C[C@@H]2C1 ZINC000089120490 524477383 /nfs/dbraw/zinc/47/73/83/524477383.db2.gz UTAXVMDSWBXRFU-GOEBONIOSA-N 2 1 363.506 1.351 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089896886 524539057 /nfs/dbraw/zinc/53/90/57/524539057.db2.gz IAGODXNYNLOJJV-VQTJNVASSA-N 2 1 372.513 1.571 20 30 FDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000091632260 524748895 /nfs/dbraw/zinc/74/88/95/524748895.db2.gz OJGFBMAHJLIFPF-GOSISDBHSA-N 2 1 360.506 1.206 20 30 FDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 ZINC000091632260 524748904 /nfs/dbraw/zinc/74/89/04/524748904.db2.gz OJGFBMAHJLIFPF-GOSISDBHSA-N 2 1 360.506 1.206 20 30 FDEDMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000152388759 524870441 /nfs/dbraw/zinc/87/04/41/524870441.db2.gz IIMRVSBEAFYKQS-APWZRJJASA-N 2 1 373.501 1.351 20 30 FDEDMP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000152388759 524870450 /nfs/dbraw/zinc/87/04/50/524870450.db2.gz IIMRVSBEAFYKQS-APWZRJJASA-N 2 1 373.501 1.351 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000104181739 525398472 /nfs/dbraw/zinc/39/84/72/525398472.db2.gz YUCIXJSTFBSLNN-VQTJNVASSA-N 3 1 357.546 1.940 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000104181739 525398477 /nfs/dbraw/zinc/39/84/77/525398477.db2.gz YUCIXJSTFBSLNN-VQTJNVASSA-N 3 1 357.546 1.940 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181739 525398485 /nfs/dbraw/zinc/39/84/85/525398485.db2.gz YUCIXJSTFBSLNN-VQTJNVASSA-N 3 1 357.546 1.940 20 30 FDEDMP COc1ccc(CCNC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000178564765 525445195 /nfs/dbraw/zinc/44/51/95/525445195.db2.gz GCZSZHZHBISXIN-OAHLLOKOSA-N 2 1 364.490 1.119 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000154284281 525481772 /nfs/dbraw/zinc/48/17/72/525481772.db2.gz XUXWUELBTJBCMC-YOFSQIOKSA-N 2 1 358.530 1.101 20 30 FDEDMP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000131575239 525874173 /nfs/dbraw/zinc/87/41/73/525874173.db2.gz QZODQRHKUBGRCJ-QUCCMNQESA-N 2 1 360.498 1.809 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3sccc3C#N)C2)CC1 ZINC000109025724 526061994 /nfs/dbraw/zinc/06/19/94/526061994.db2.gz KMSNTPXQVBPQOO-INIZCTEOSA-N 2 1 361.515 1.660 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000171706393 526086917 /nfs/dbraw/zinc/08/69/17/526086917.db2.gz XJEDOJYCHIKDTC-HOTGVXAUSA-N 2 1 352.523 1.824 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000189995331 537125351 /nfs/dbraw/zinc/12/53/51/537125351.db2.gz VQSHXZNPQQMORQ-PMPSAXMXSA-N 2 1 354.495 1.113 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000189995331 537125355 /nfs/dbraw/zinc/12/53/55/537125355.db2.gz VQSHXZNPQQMORQ-PMPSAXMXSA-N 2 1 354.495 1.113 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283385240 537374339 /nfs/dbraw/zinc/37/43/39/537374339.db2.gz JGMYJLSLRACDKK-IBGZPJMESA-N 2 1 370.497 1.144 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997975 537597995 /nfs/dbraw/zinc/59/79/95/537597995.db2.gz AQEGLZWOELPQGL-RBUKOAKNSA-N 2 1 371.529 1.466 20 30 FDEDMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[NH+]1CCSCC1 ZINC000329177091 537635749 /nfs/dbraw/zinc/63/57/49/537635749.db2.gz CCJYNSRWBBRRRU-WZYMTQMTSA-N 2 1 368.547 1.464 20 30 FDEDMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)[NH+]1CCSCC1 ZINC000329177091 537635752 /nfs/dbraw/zinc/63/57/52/537635752.db2.gz CCJYNSRWBBRRRU-WZYMTQMTSA-N 2 1 368.547 1.464 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000580791156 551018982 /nfs/dbraw/zinc/01/89/82/551018982.db2.gz WDZHWISSMNEENI-KRWDZBQOSA-N 2 1 350.507 1.134 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CCCO1 ZINC000582541731 551238744 /nfs/dbraw/zinc/23/87/44/551238744.db2.gz GQYSHSBXGBMYAT-IEBWSBKVSA-N 2 1 361.486 1.583 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000591728852 551904330 /nfs/dbraw/zinc/90/43/30/551904330.db2.gz ZRBKDIZNAXZCOY-DLBZAZTESA-N 2 1 350.532 1.756 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000591728852 551904331 /nfs/dbraw/zinc/90/43/31/551904331.db2.gz ZRBKDIZNAXZCOY-DLBZAZTESA-N 2 1 350.532 1.756 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(C(F)(F)F)c1 ZINC000595890764 552629385 /nfs/dbraw/zinc/62/93/85/552629385.db2.gz FZKJLWXZWRGMKS-AWEZNQCLSA-N 2 1 354.376 1.864 20 30 FDEDMP N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000596067336 552652015 /nfs/dbraw/zinc/65/20/15/552652015.db2.gz ZIWSZJKEYNRGFA-MOPGFXCFSA-N 2 1 359.470 1.335 20 30 FDEDMP C[NH+]1CCN([C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000598703360 552927059 /nfs/dbraw/zinc/92/70/59/552927059.db2.gz GZIXGEGLVPXTIZ-CVEARBPZSA-N 2 1 350.532 1.927 20 30 FDEDMP C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000602539289 553602221 /nfs/dbraw/zinc/60/22/21/553602221.db2.gz IQDYACXESUSJDJ-MRXNPFEDSA-N 2 1 350.507 1.618 20 30 FDEDMP C[NH+]=C(NCCc1csc(C)n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261808510 672675530 /nfs/dbraw/zinc/67/55/30/672675530.db2.gz SKWAVWLRIKFOPP-HNNXBMFYSA-N 2 1 351.520 1.224 20 30 FDEDMP C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262376559 672779130 /nfs/dbraw/zinc/77/91/30/672779130.db2.gz JQSBVJTZYXEEOW-IRXDYDNUSA-N 2 1 368.547 1.113 20 30 FDEDMP [NH2+]=C(NC[C@@H]1CCCS1(=O)=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262492300 672798365 /nfs/dbraw/zinc/79/83/65/672798365.db2.gz VGVZLPMXILDHEH-KRWDZBQOSA-N 2 1 364.515 1.133 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1CS(C)(=O)=O ZINC000304743938 676544371 /nfs/dbraw/zinc/54/43/71/676544371.db2.gz DMAVEZQZMMGDDC-MRXNPFEDSA-N 2 1 352.504 1.120 20 30 FDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330169706 676676447 /nfs/dbraw/zinc/67/64/47/676676447.db2.gz DIMBEDFCWARKKG-KBAYOESNSA-N 2 1 352.523 1.742 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374616314 678088411 /nfs/dbraw/zinc/08/84/11/678088411.db2.gz YYQSVPZMHORJIA-ZWKOTPCHSA-N 2 1 350.551 1.900 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374616314 678088415 /nfs/dbraw/zinc/08/84/15/678088415.db2.gz YYQSVPZMHORJIA-ZWKOTPCHSA-N 2 1 350.551 1.900 20 30 FDEDMP C=CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194088 771237508 /nfs/dbraw/zinc/23/75/08/771237508.db2.gz VRJNIFZELIZFNZ-FRQCXROJSA-N 2 1 353.482 1.687 20 30 FDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194088 771237514 /nfs/dbraw/zinc/23/75/14/771237514.db2.gz VRJNIFZELIZFNZ-FRQCXROJSA-N 2 1 353.482 1.687 20 30 FDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC001083194088 771237519 /nfs/dbraw/zinc/23/75/19/771237519.db2.gz VRJNIFZELIZFNZ-FRQCXROJSA-N 2 1 353.482 1.687 20 30 FDEDMP N#Cc1ccc(OCCC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000375809611 784978067 /nfs/dbraw/zinc/97/80/67/784978067.db2.gz FHYVZGWJVKYDJW-UHFFFAOYSA-N 2 1 359.470 1.486 20 30 FDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001104682350 789367057 /nfs/dbraw/zinc/36/70/57/789367057.db2.gz NCGMDKWIKLSXCI-IAGOWNOFSA-N 2 1 358.486 1.982 20 30 FDEDMP C=CCNC(=O)NC(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377770798 792760197 /nfs/dbraw/zinc/76/01/97/792760197.db2.gz QHVOXOXMHAUCNJ-MSOLQXFVSA-N 2 1 356.470 1.452 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(F)c(C#N)c3)C2)CC[N@H+]1C ZINC001026853119 800007816 /nfs/dbraw/zinc/00/78/16/800007816.db2.gz XPSNVRNPOAUJMQ-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(F)c(C#N)c3)C2)CC[N@H+]1C ZINC001026853118 800008177 /nfs/dbraw/zinc/00/81/77/800008177.db2.gz XPSNVRNPOAUJMQ-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C=CC[C@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941543 804589998 /nfs/dbraw/zinc/58/99/98/804589998.db2.gz XJMIOQYZIIZHEI-PZJWPPBQSA-N 2 1 356.514 1.617 20 30 FDEDMP C=CC[C@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941543 804590006 /nfs/dbraw/zinc/59/00/06/804590006.db2.gz XJMIOQYZIIZHEI-PZJWPPBQSA-N 2 1 356.514 1.617 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000669035738 804867383 /nfs/dbraw/zinc/86/73/83/804867383.db2.gz PDKRFTGMVMOFCA-MSOLQXFVSA-N 2 1 372.517 1.532 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#C)CC[C@@H]2c2ccccc2)CC1 ZINC001087443902 809804856 /nfs/dbraw/zinc/80/48/56/809804856.db2.gz MGRBKACKWLSZPL-FGZHOGPDSA-N 2 1 363.505 1.939 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCC(C(=O)OC)CC1 ZINC000262599600 811505086 /nfs/dbraw/zinc/50/50/86/811505086.db2.gz YEPIWCFHQFTAPX-UHFFFAOYSA-N 2 1 370.457 1.536 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261836497 813998967 /nfs/dbraw/zinc/99/89/67/813998967.db2.gz VWMJMOMMHGNVIY-FJIDUMEYSA-N 2 1 362.518 1.174 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087476808 818391546 /nfs/dbraw/zinc/39/15/46/818391546.db2.gz HIRNXWRHWSDWKJ-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP CC#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087476808 818391551 /nfs/dbraw/zinc/39/15/51/818391551.db2.gz HIRNXWRHWSDWKJ-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP CC#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087476808 818391559 /nfs/dbraw/zinc/39/15/59/818391559.db2.gz HIRNXWRHWSDWKJ-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP CC#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087476808 818391567 /nfs/dbraw/zinc/39/15/67/818391567.db2.gz HIRNXWRHWSDWKJ-JBACZVJFSA-N 2 1 369.509 1.944 20 30 FDEDMP C[N@@H+]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)C[C@H]2C1 ZINC000895594235 822666901 /nfs/dbraw/zinc/66/69/01/822666901.db2.gz LRWPFLGOCBSAOV-KDURUIRLSA-N 2 1 367.497 1.726 20 30 FDEDMP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329318529 824732404 /nfs/dbraw/zinc/73/24/04/824732404.db2.gz SUFVISGMISZDLS-MRXNPFEDSA-N 2 1 365.522 1.013 20 30 FDEDMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329341346 824745768 /nfs/dbraw/zinc/74/57/68/824745768.db2.gz OXDSCOXSZOHJTP-KFKAGJAMSA-N 2 1 364.534 1.908 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3c(C)noc3C)CC[C@@H]2C1 ZINC001087998272 825076145 /nfs/dbraw/zinc/07/61/45/825076145.db2.gz ZUBYCYISZHZOHM-HBFSDRIKSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3c(C)noc3C)CC[C@@H]2C1 ZINC001087998272 825076158 /nfs/dbraw/zinc/07/61/58/825076158.db2.gz ZUBYCYISZHZOHM-HBFSDRIKSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3c(C)noc3C)CC[C@@H]2C1 ZINC001087998272 825076167 /nfs/dbraw/zinc/07/61/67/825076167.db2.gz ZUBYCYISZHZOHM-HBFSDRIKSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3c(C)noc3C)CC[C@@H]2C1 ZINC001087998272 825076175 /nfs/dbraw/zinc/07/61/75/825076175.db2.gz ZUBYCYISZHZOHM-HBFSDRIKSA-N 2 1 370.497 1.669 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262335509 825338469 /nfs/dbraw/zinc/33/84/69/825338469.db2.gz SEBPEZRQKALPOD-MRXNPFEDSA-N 2 1 362.474 1.931 20 30 FDEDMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000330177440 825707502 /nfs/dbraw/zinc/70/75/02/825707502.db2.gz KRLUZMZSQOHSRB-RWQQGDIJSA-N 2 1 366.550 1.988 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153746 826864986 /nfs/dbraw/zinc/86/49/86/826864986.db2.gz IRTQDVKRMSTLBL-CVEARBPZSA-N 2 1 355.910 1.630 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088153746 826864999 /nfs/dbraw/zinc/86/49/99/826864999.db2.gz IRTQDVKRMSTLBL-CVEARBPZSA-N 2 1 355.910 1.630 20 30 FDEDMP C#CCN(C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12)C1CC[NH+](C)CC1 ZINC000925168452 828306986 /nfs/dbraw/zinc/30/69/86/828306986.db2.gz BBUKZURJUBUZLB-SJORKVTESA-N 2 1 350.532 1.305 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)C ZINC000729592917 830134898 /nfs/dbraw/zinc/13/48/98/830134898.db2.gz NXKOUWOLLOBFLO-IPMKNSEASA-N 2 1 364.534 1.847 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CCCC[N@H+]1CC)N1CCN(c2ncccn2)CC1 ZINC000262788290 831433259 /nfs/dbraw/zinc/43/32/59/831433259.db2.gz NGJPWIZRCILQPU-QGZVFWFLSA-N 2 1 359.522 1.439 20 30 FDEDMP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001105429127 831851692 /nfs/dbraw/zinc/85/16/92/831851692.db2.gz NPHZRMVLSRZNLN-VELGLUOQSA-N 2 1 355.482 1.145 20 30 FDEDMP C#CC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001105429127 831851700 /nfs/dbraw/zinc/85/17/00/831851700.db2.gz NPHZRMVLSRZNLN-VELGLUOQSA-N 2 1 355.482 1.145 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105666703 843297389 /nfs/dbraw/zinc/29/73/89/843297389.db2.gz IMAJKJAXRWGJHP-HNBVOPMISA-N 2 1 351.535 1.870 20 30 FDEDMP C=C(CNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C)CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000898986332 845579982 /nfs/dbraw/zinc/57/99/82/845579982.db2.gz ABKRXNBFBNYSNX-IYBDPMFKSA-N 2 1 364.534 1.521 20 30 FDEDMP C=C(CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000898986332 845579995 /nfs/dbraw/zinc/57/99/95/845579995.db2.gz ABKRXNBFBNYSNX-IYBDPMFKSA-N 2 1 364.534 1.521 20 30 FDEDMP C=C(CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000898986332 845580004 /nfs/dbraw/zinc/58/00/04/845580004.db2.gz ABKRXNBFBNYSNX-IYBDPMFKSA-N 2 1 364.534 1.521 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(F)c1 ZINC001076467745 848194950 /nfs/dbraw/zinc/19/49/50/848194950.db2.gz QDQJWZAZSZDRGT-PKOBYXMFSA-N 2 1 368.456 1.826 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c(F)c1 ZINC001076467745 848194958 /nfs/dbraw/zinc/19/49/58/848194958.db2.gz QDQJWZAZSZDRGT-PKOBYXMFSA-N 2 1 368.456 1.826 20 30 FDEDMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076462226 848209883 /nfs/dbraw/zinc/20/98/83/848209883.db2.gz MPEDNCIRCQJKCL-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076462226 848209894 /nfs/dbraw/zinc/20/98/94/848209894.db2.gz MPEDNCIRCQJKCL-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076462226 848209902 /nfs/dbraw/zinc/20/99/02/848209902.db2.gz MPEDNCIRCQJKCL-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)C1 ZINC001076462226 848209914 /nfs/dbraw/zinc/20/99/14/848209914.db2.gz MPEDNCIRCQJKCL-LSTHTHJFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001076569206 848465845 /nfs/dbraw/zinc/46/58/45/848465845.db2.gz NOXLPNVDSXMXHF-TXPKVOOTSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001076569206 848465848 /nfs/dbraw/zinc/46/58/48/848465848.db2.gz NOXLPNVDSXMXHF-TXPKVOOTSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001076569206 848465851 /nfs/dbraw/zinc/46/58/51/848465851.db2.gz NOXLPNVDSXMXHF-TXPKVOOTSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001076569206 848465854 /nfs/dbraw/zinc/46/58/54/848465854.db2.gz NOXLPNVDSXMXHF-TXPKVOOTSA-N 2 1 356.445 1.682 20 30 FDEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C1CC[NH+](C)CC1 ZINC000906452238 852901308 /nfs/dbraw/zinc/90/13/08/852901308.db2.gz NNRUYBGCXXDIOB-RTBURBONSA-N 2 1 357.502 1.011 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667145 876483194 /nfs/dbraw/zinc/48/31/94/876483194.db2.gz KOKUVXWDAIRSPB-KBAYOESNSA-N 2 1 360.502 1.641 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106730749 877225629 /nfs/dbraw/zinc/22/56/29/877225629.db2.gz NQUSAKHKOPNLFT-KURKYZTESA-N 2 1 364.534 1.236 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(C#N)c3)CC2)O1 ZINC001034674898 884692562 /nfs/dbraw/zinc/69/25/62/884692562.db2.gz LPHRTIUFTSJAEC-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(C#N)c3)CC2)O1 ZINC001034674898 884692567 /nfs/dbraw/zinc/69/25/67/884692567.db2.gz LPHRTIUFTSJAEC-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071858 885695486 /nfs/dbraw/zinc/69/54/86/885695486.db2.gz OIFJLNBLMSDSBN-KURKYZTESA-N 2 1 362.522 1.706 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2CCN(Cc3csc(C)n3)CC2)C1 ZINC000923580118 889958085 /nfs/dbraw/zinc/95/80/85/889958085.db2.gz YKSOIJHZSIHPOJ-QGZVFWFLSA-N 2 1 360.527 1.877 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CCN(Cc3csc(C)n3)CC2)C1 ZINC000923580118 889958088 /nfs/dbraw/zinc/95/80/88/889958088.db2.gz YKSOIJHZSIHPOJ-QGZVFWFLSA-N 2 1 360.527 1.877 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C/c3ccccc3)C[C@H]2O)CC1 ZINC001078228518 898434947 /nfs/dbraw/zinc/43/49/47/898434947.db2.gz UEZQJLNSNDOLEV-WZIVPHRBSA-N 2 1 367.493 1.206 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C/c3ccccc3)C[C@H]2O)CC1 ZINC001078228518 898434955 /nfs/dbraw/zinc/43/49/55/898434955.db2.gz UEZQJLNSNDOLEV-WZIVPHRBSA-N 2 1 367.493 1.206 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079146929 901970455 /nfs/dbraw/zinc/97/04/55/901970455.db2.gz OQVYVBKQOYRCMM-PWRODBHTSA-N 2 1 371.525 1.978 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079146929 901970463 /nfs/dbraw/zinc/97/04/63/901970463.db2.gz OQVYVBKQOYRCMM-PWRODBHTSA-N 2 1 371.525 1.978 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079146929 901970469 /nfs/dbraw/zinc/97/04/69/901970469.db2.gz OQVYVBKQOYRCMM-PWRODBHTSA-N 2 1 371.525 1.978 20 30 FDEDMP C=CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079246279 902258600 /nfs/dbraw/zinc/25/86/00/902258600.db2.gz ZPGLUFSHAMDSHY-CEXWTWQISA-N 2 1 361.530 1.986 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079273733 902293580 /nfs/dbraw/zinc/29/35/80/902293580.db2.gz NVPAFPHONIUYDC-ZWKOTPCHSA-N 2 1 356.470 1.154 20 30 FDEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107426098 904847321 /nfs/dbraw/zinc/84/73/21/904847321.db2.gz FZSTVJSKTKNJPC-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107426098 904847338 /nfs/dbraw/zinc/84/73/38/904847338.db2.gz FZSTVJSKTKNJPC-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107426098 904847346 /nfs/dbraw/zinc/84/73/46/904847346.db2.gz FZSTVJSKTKNJPC-SFHLNBCPSA-N 2 1 361.530 1.871 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787573 906314584 /nfs/dbraw/zinc/31/45/84/906314584.db2.gz HUYNNNDUBTVBCL-RDTXWAMCSA-N 2 1 356.445 1.730 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787573 906314598 /nfs/dbraw/zinc/31/45/98/906314598.db2.gz HUYNNNDUBTVBCL-RDTXWAMCSA-N 2 1 356.445 1.730 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2C)CC1 ZINC001080997966 906974218 /nfs/dbraw/zinc/97/42/18/906974218.db2.gz QFVSIUVURMUDDT-YLJYHZDGSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001082567907 908704220 /nfs/dbraw/zinc/70/42/20/908704220.db2.gz KQSWARBTQUMFPF-YSGRDPCXSA-N 2 1 368.456 1.731 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001082567907 908704229 /nfs/dbraw/zinc/70/42/29/908704229.db2.gz KQSWARBTQUMFPF-YSGRDPCXSA-N 2 1 368.456 1.731 20 30 FDEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082447 911947607 /nfs/dbraw/zinc/94/76/07/911947607.db2.gz XZCBNKYRKUGZMO-YSIASYRMSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082447 911947612 /nfs/dbraw/zinc/94/76/12/911947612.db2.gz XZCBNKYRKUGZMO-YSIASYRMSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082447 911947619 /nfs/dbraw/zinc/94/76/19/911947619.db2.gz XZCBNKYRKUGZMO-YSIASYRMSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082447 911947622 /nfs/dbraw/zinc/94/76/22/911947622.db2.gz XZCBNKYRKUGZMO-YSIASYRMSA-N 2 1 359.514 1.576 20 30 FDEDMP N#CCOc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001084832675 917532872 /nfs/dbraw/zinc/53/28/72/917532872.db2.gz SGQFYEUCJJTVMK-UYAOXDASSA-N 2 1 368.481 1.717 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]21 ZINC001085092692 920803387 /nfs/dbraw/zinc/80/33/87/920803387.db2.gz MLDHDYYUEAQSHN-ILXRZTDVSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]21 ZINC001085092692 920803411 /nfs/dbraw/zinc/80/34/11/920803411.db2.gz MLDHDYYUEAQSHN-ILXRZTDVSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092692 920803421 /nfs/dbraw/zinc/80/34/21/920803421.db2.gz MLDHDYYUEAQSHN-ILXRZTDVSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C[C@@H]21 ZINC001085092692 920803435 /nfs/dbraw/zinc/80/34/35/920803435.db2.gz MLDHDYYUEAQSHN-ILXRZTDVSA-N 2 1 356.308 1.770 20 30 FDEDMP CCOCCC[N@H+]1CCC(=NNC(=S)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000735229386 924137156 /nfs/dbraw/zinc/13/71/56/924137156.db2.gz DJQWWCNHQUOONY-HNNXBMFYSA-N 2 1 357.568 1.527 20 30 FDEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001086120883 926050897 /nfs/dbraw/zinc/05/08/97/926050897.db2.gz RDQIGXPUBWLMAW-YIYPIFLZSA-N 2 1 360.296 1.099 20 30 FDEDMP C=C(Br)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001086120883 926050908 /nfs/dbraw/zinc/05/09/08/926050908.db2.gz RDQIGXPUBWLMAW-YIYPIFLZSA-N 2 1 360.296 1.099 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109934027 930800188 /nfs/dbraw/zinc/80/01/88/930800188.db2.gz KVJMDMSKTAACPF-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109934027 930800192 /nfs/dbraw/zinc/80/01/92/930800192.db2.gz KVJMDMSKTAACPF-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109934027 930800197 /nfs/dbraw/zinc/80/01/97/930800197.db2.gz KVJMDMSKTAACPF-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109934027 930800200 /nfs/dbraw/zinc/80/02/00/930800200.db2.gz KVJMDMSKTAACPF-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001129884653 938538858 /nfs/dbraw/zinc/53/88/58/938538858.db2.gz QHFVYIFHDMBECB-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n2ccnn2)C1 ZINC001129898362 938558930 /nfs/dbraw/zinc/55/89/30/938558930.db2.gz RRMKKOLUWPHEFS-ITVKQWQRSA-N 2 1 370.501 1.074 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C\CC)[C@@H](n2ccnn2)C1 ZINC001129898362 938558931 /nfs/dbraw/zinc/55/89/31/938558931.db2.gz RRMKKOLUWPHEFS-ITVKQWQRSA-N 2 1 370.501 1.074 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129919212 938567491 /nfs/dbraw/zinc/56/74/91/938567491.db2.gz QIQDYCSCGQGWNY-KGLIPLIRSA-N 2 1 354.886 1.102 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129919212 938567493 /nfs/dbraw/zinc/56/74/93/938567493.db2.gz QIQDYCSCGQGWNY-KGLIPLIRSA-N 2 1 354.886 1.102 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001130026577 938629427 /nfs/dbraw/zinc/62/94/27/938629427.db2.gz UZGQYUMTOFBGQC-SJORKVTESA-N 2 1 371.489 1.606 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153251 938716911 /nfs/dbraw/zinc/71/69/11/938716911.db2.gz GDBHUTGPAHLEHJ-MOPGFXCFSA-N 2 1 368.485 1.328 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153251 938716912 /nfs/dbraw/zinc/71/69/12/938716912.db2.gz GDBHUTGPAHLEHJ-MOPGFXCFSA-N 2 1 368.485 1.328 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001130607510 939918965 /nfs/dbraw/zinc/91/89/65/939918965.db2.gz FNSWADAINUXUGR-JQHSSLGASA-N 2 1 368.485 1.654 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCC=C)C1 ZINC001131010606 940441569 /nfs/dbraw/zinc/44/15/69/940441569.db2.gz UQUIDUAAMLWIGH-QRVBRYPASA-N 2 1 369.513 1.368 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCC=C)C1 ZINC001131010606 940441571 /nfs/dbraw/zinc/44/15/71/940441571.db2.gz UQUIDUAAMLWIGH-QRVBRYPASA-N 2 1 369.513 1.368 20 30 FDEDMP C[NH+](C)CCN1c2ccccc2C(=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)C1=O ZINC000807979075 940503967 /nfs/dbraw/zinc/50/39/67/940503967.db2.gz MCSFQLBFLMPJJM-GJZGRUSLSA-N 2 1 354.458 1.159 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001086664292 940545973 /nfs/dbraw/zinc/54/59/73/940545973.db2.gz HLPNLKCHNDUDCS-OTWHNJEPSA-N 2 1 356.470 1.263 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001086664292 940545975 /nfs/dbraw/zinc/54/59/75/940545975.db2.gz HLPNLKCHNDUDCS-OTWHNJEPSA-N 2 1 356.470 1.263 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001131515346 940679673 /nfs/dbraw/zinc/67/96/73/940679673.db2.gz FCFPWJPFOHYALJ-ZVDOUQERSA-N 2 1 361.530 1.870 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001131596982 940780438 /nfs/dbraw/zinc/78/04/38/940780438.db2.gz DZAXLZMKAMTMSY-QUCCMNQESA-N 2 1 367.534 1.517 20 30 FDEDMP N#Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000819218082 943492109 /nfs/dbraw/zinc/49/21/09/943492109.db2.gz CMVVAUGKTJLZRO-LEWJYISDSA-N 2 1 351.450 1.948 20 30 FDEDMP C#CCNC(=O)CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000819333026 943530083 /nfs/dbraw/zinc/53/00/83/943530083.db2.gz FKBFBLZCLCXNDA-FQEVSTJZSA-N 2 1 369.509 1.644 20 30 FDEDMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@@H+](Cc1cncc(C#N)c1)CC2 ZINC001144075722 948189064 /nfs/dbraw/zinc/18/90/64/948189064.db2.gz SSCJTVRWLCRWCM-UHFFFAOYSA-N 2 1 351.454 1.277 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnccc3C)C[C@@]2(C)C1 ZINC001091748478 952794509 /nfs/dbraw/zinc/79/45/09/952794509.db2.gz NXBMZMLILXTCND-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnccc3C)C[C@@]2(C)C1 ZINC001091748478 952794511 /nfs/dbraw/zinc/79/45/11/952794511.db2.gz NXBMZMLILXTCND-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnccc3C)C[C@@]2(C)C1 ZINC001091748478 952794516 /nfs/dbraw/zinc/79/45/16/952794516.db2.gz NXBMZMLILXTCND-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnccc3C)C[C@@]2(C)C1 ZINC001091748478 952794522 /nfs/dbraw/zinc/79/45/22/952794522.db2.gz NXBMZMLILXTCND-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2C)CC1 ZINC001093222412 957849370 /nfs/dbraw/zinc/84/93/70/957849370.db2.gz LMCGYPHIGKVGRG-UYAOXDASSA-N 2 1 368.525 1.919 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2C)CC1 ZINC001093224219 957853059 /nfs/dbraw/zinc/85/30/59/957853059.db2.gz NYXTVDNKRNOQEW-DYESRHJHSA-N 2 1 368.525 1.919 20 30 FDEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001093373971 958014883 /nfs/dbraw/zinc/01/48/83/958014883.db2.gz WHJJGWYIULVZTF-QRQLOZEOSA-N 2 1 361.530 1.985 20 30 FDEDMP C=CC[NH+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001093373971 958014891 /nfs/dbraw/zinc/01/48/91/958014891.db2.gz WHJJGWYIULVZTF-QRQLOZEOSA-N 2 1 361.530 1.985 20 30 FDEDMP C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093373971 958014905 /nfs/dbraw/zinc/01/49/05/958014905.db2.gz WHJJGWYIULVZTF-QRQLOZEOSA-N 2 1 361.530 1.985 20 30 FDEDMP C=CC[N@H+]1CC2(CCC2)[C@@H]1C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001093373971 958014909 /nfs/dbraw/zinc/01/49/09/958014909.db2.gz WHJJGWYIULVZTF-QRQLOZEOSA-N 2 1 361.530 1.985 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](C)C1 ZINC001093832991 958927516 /nfs/dbraw/zinc/92/75/16/958927516.db2.gz MBJYVNVYIPGAMK-HLIPFELVSA-N 2 1 369.513 1.111 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)[C@H](C)C1 ZINC001093832991 958927520 /nfs/dbraw/zinc/92/75/20/958927520.db2.gz MBJYVNVYIPGAMK-HLIPFELVSA-N 2 1 369.513 1.111 20 30 FDEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001094113890 959802416 /nfs/dbraw/zinc/80/24/16/959802416.db2.gz IWILNXAFEPQSIZ-YLJYHZDGSA-N 2 1 370.497 1.465 20 30 FDEDMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1C#N ZINC001094219287 960037621 /nfs/dbraw/zinc/03/76/21/960037621.db2.gz IEUOONLWUFGNPH-HHXXYDBFSA-N 2 1 370.497 1.703 20 30 FDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186409607 964477700 /nfs/dbraw/zinc/47/77/00/964477700.db2.gz AFVAIECTMFWPME-KZNAEPCWSA-N 2 1 365.518 1.126 20 30 FDEDMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186409607 964477708 /nfs/dbraw/zinc/47/77/08/964477708.db2.gz AFVAIECTMFWPME-KZNAEPCWSA-N 2 1 365.518 1.126 20 30 FDEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC1 ZINC001188963715 966677291 /nfs/dbraw/zinc/67/72/91/966677291.db2.gz PFDQADOQXIYLQE-RBUKOAKNSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000852360389 967250389 /nfs/dbraw/zinc/25/03/89/967250389.db2.gz XXFDAEGTMNBDNH-FQEVSTJZSA-N 2 1 371.529 1.057 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[NH+](C)CCN1Cc1ccccc1 ZINC000852360389 967250401 /nfs/dbraw/zinc/25/04/01/967250401.db2.gz XXFDAEGTMNBDNH-FQEVSTJZSA-N 2 1 371.529 1.057 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000852360389 967250412 /nfs/dbraw/zinc/25/04/12/967250412.db2.gz XXFDAEGTMNBDNH-FQEVSTJZSA-N 2 1 371.529 1.057 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000852360389 967250420 /nfs/dbraw/zinc/25/04/20/967250420.db2.gz XXFDAEGTMNBDNH-FQEVSTJZSA-N 2 1 371.529 1.057 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCCCC)C[C@H]32)CC1 ZINC001190317582 967731317 /nfs/dbraw/zinc/73/13/17/967731317.db2.gz ICFUVCFFJCKQPT-VQTJNVASSA-N 2 1 361.530 1.681 20 30 FDEDMP C[NH+](C)CCCNC(=S)N[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853306409 967964513 /nfs/dbraw/zinc/96/45/13/967964513.db2.gz WZBJBNPTGFSZQQ-UHFFFAOYSA-N 2 1 363.531 1.397 20 30 FDEDMP CC(C)[N@H+]1CC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849087294 977308004 /nfs/dbraw/zinc/30/80/04/977308004.db2.gz VIKVRMZKCKBMAD-HZPDHXFCSA-N 2 1 365.522 1.597 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000849106038 977317729 /nfs/dbraw/zinc/31/77/29/977317729.db2.gz PVSFJUGOMZVQBC-SFHVURJKSA-N 2 1 351.539 1.281 20 30 FDEDMP C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852101294 979351023 /nfs/dbraw/zinc/35/10/23/979351023.db2.gz OYDPCHJGBXLZBZ-UTKZUKDTSA-N 2 1 357.498 1.915 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[N@@H+](Cc3ccccc3)CC1)C2 ZINC000884006919 982698012 /nfs/dbraw/zinc/69/80/12/982698012.db2.gz INMCOEXXQNFLLG-SCCNAQOGSA-N 2 1 352.482 1.860 20 30 FDEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884306596 983071253 /nfs/dbraw/zinc/07/12/53/983071253.db2.gz ISNWAJQVNMHKDY-JMDAGXMHSA-N 2 1 352.482 1.859 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000369403568 989050934 /nfs/dbraw/zinc/05/09/34/989050934.db2.gz VTDVQRXCUGMMSJ-NZSAHSFTSA-N 2 1 364.534 1.825 20 30 FDEDMP CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000125131584 990499317 /nfs/dbraw/zinc/49/93/17/990499317.db2.gz LJHFMQAOMLQBBC-KRWDZBQOSA-N 2 1 362.522 1.157 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(CC(=O)N2CC[NH+](C)CC2)c1 ZINC000876778089 992903552 /nfs/dbraw/zinc/90/35/52/992903552.db2.gz WJKFKEUVPBMQAP-INIZCTEOSA-N 2 1 364.877 1.412 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000876779763 992905212 /nfs/dbraw/zinc/90/52/12/992905212.db2.gz MHXDIVHJEHDVEB-ZIAGYGMSSA-N 2 1 356.923 1.623 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000876971683 992990216 /nfs/dbraw/zinc/99/02/16/992990216.db2.gz RSCNLWRQJXJJSD-QGZVFWFLSA-N 2 1 362.905 1.927 20 30 FDEDMP N#Cc1cc(C[NH+]2CC[C@@]3(O)C[C@H]3C2)cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000878949181 994377819 /nfs/dbraw/zinc/37/78/19/994377819.db2.gz JVSPIJLFDBTOOS-UWHLTILDSA-N 2 1 353.466 1.472 20 30 FDEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000887130956 996958264 /nfs/dbraw/zinc/95/82/64/996958264.db2.gz OIBFRRWLJFHLFT-QFBILLFUSA-N 2 1 352.438 1.904 20 30 FDEDMP CCNC(=O)COc1cccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264095969 997401364 /nfs/dbraw/zinc/40/13/64/997401364.db2.gz MQDRVVDJZLFQRQ-INIZCTEOSA-N 2 1 361.490 1.090 20 30 FDEDMP CC[C@@H](C)NC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264118668 997405574 /nfs/dbraw/zinc/40/55/74/997405574.db2.gz UFCDVNDXWZYYAK-OAHLLOKOSA-N 2 1 361.490 1.550 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCOC)CC2CC[NH+](C)CC2)C1 ZINC000890361521 998913686 /nfs/dbraw/zinc/91/36/86/998913686.db2.gz SWFFVXYVVKNDCS-GOSISDBHSA-N 2 1 350.507 1.084 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCOC)CC2CC[NH+](C)CC2)C1 ZINC000890361521 998913688 /nfs/dbraw/zinc/91/36/88/998913688.db2.gz SWFFVXYVVKNDCS-GOSISDBHSA-N 2 1 350.507 1.084 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000284210928 999780506 /nfs/dbraw/zinc/78/05/06/999780506.db2.gz WSHRFVPNVVVTCU-ZWKOTPCHSA-N 2 1 364.534 1.211 20 30 FDEDMP COc1ccc(CCNC(=[NH2+])NCCC[N@H+](C)CCN(C)C)cc1OC ZINC000288805862 1000048755 /nfs/dbraw/zinc/04/87/55/1000048755.db2.gz ZSDUEDVIUJBUIX-UHFFFAOYSA-N 2 1 365.522 1.034 20 30 FDEDMP COc1ccc(CCNC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)cc1OC ZINC000288805862 1000048757 /nfs/dbraw/zinc/04/87/57/1000048757.db2.gz ZSDUEDVIUJBUIX-UHFFFAOYSA-N 2 1 365.522 1.034 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)C1=O ZINC001111298843 1008574962 /nfs/dbraw/zinc/57/49/62/1008574962.db2.gz UENMTNWDVLSJJK-ZJPYXAASSA-N 2 1 362.518 1.227 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)CCCC[NH+](C)C)C3)C1=O ZINC001111298843 1008574987 /nfs/dbraw/zinc/57/49/87/1008574987.db2.gz UENMTNWDVLSJJK-ZJPYXAASSA-N 2 1 362.518 1.227 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)c(F)c1 ZINC000303906167 1009688339 /nfs/dbraw/zinc/68/83/39/1009688339.db2.gz ZTJCCKFMHULUOU-INIZCTEOSA-N 2 1 363.481 1.551 20 30 FDEDMP CC(C)(C)c1ccccc1OCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304762426 1010489800 /nfs/dbraw/zinc/48/98/00/1010489800.db2.gz VRWGVYBXAYXXFC-UHFFFAOYSA-N 2 1 362.518 1.990 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000328960401 259069295 /nfs/dbraw/zinc/06/92/95/259069295.db2.gz QJGKVACXCBPXNZ-SLYNCCJLSA-N 2 1 372.513 1.256 20 30 FDEDMP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368435407 260182978 /nfs/dbraw/zinc/18/29/78/260182978.db2.gz LPUSDWBHMIHGLX-LJQANCHMSA-N 2 1 355.486 1.868 20 30 FDEDMP CN(C(=O)NCc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368435407 260182980 /nfs/dbraw/zinc/18/29/80/260182980.db2.gz LPUSDWBHMIHGLX-LJQANCHMSA-N 2 1 355.486 1.868 20 30 FDEDMP N#Cc1ccc(OCCC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000373568192 261020922 /nfs/dbraw/zinc/02/09/22/261020922.db2.gz LVLIZPNPWKOSNM-UHFFFAOYSA-N 2 1 372.513 1.667 20 30 FDEDMP N#Cc1ccc(OCCC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000373568192 261020923 /nfs/dbraw/zinc/02/09/23/261020923.db2.gz LVLIZPNPWKOSNM-UHFFFAOYSA-N 2 1 372.513 1.667 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564918 522750477 /nfs/dbraw/zinc/75/04/77/522750477.db2.gz GSSMGBNBTRISKT-INIZCTEOSA-N 2 1 350.507 1.975 20 30 FDEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000080647326 523894851 /nfs/dbraw/zinc/89/48/51/523894851.db2.gz VCTHWPVYTCJIGZ-IBGZPJMESA-N 2 1 350.507 1.618 20 30 FDEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080839303 523909736 /nfs/dbraw/zinc/90/97/36/523909736.db2.gz WPGMHJRASWFIRP-LJQANCHMSA-N 2 1 359.518 1.278 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000080839303 523909740 /nfs/dbraw/zinc/90/97/40/523909740.db2.gz WPGMHJRASWFIRP-LJQANCHMSA-N 3 1 359.518 1.278 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000080839303 523909747 /nfs/dbraw/zinc/90/97/47/523909747.db2.gz WPGMHJRASWFIRP-LJQANCHMSA-N 3 1 359.518 1.278 20 30 FDEDMP Cc1ccccc1C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCOCC1 ZINC000104179306 525398177 /nfs/dbraw/zinc/39/81/77/525398177.db2.gz YXMULIDLWSDFSE-UHFFFAOYSA-N 2 1 374.529 1.670 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1OC ZINC000104179058 525398758 /nfs/dbraw/zinc/39/87/58/525398758.db2.gz KABFWHIHYODNHV-OAHLLOKOSA-N 2 1 364.490 1.644 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OC2CCOCC2)c1 ZINC000267398009 536975876 /nfs/dbraw/zinc/97/58/76/536975876.db2.gz FGMDSELYMGXOEY-INIZCTEOSA-N 2 1 361.490 1.528 20 30 FDEDMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292218108 537718316 /nfs/dbraw/zinc/71/83/16/537718316.db2.gz OWTNJFPBZXJAND-LJQANCHMSA-N 2 1 357.502 1.822 20 30 FDEDMP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000371085860 538098229 /nfs/dbraw/zinc/09/82/29/538098229.db2.gz HLXLQLHXEJNKCR-UHFFFAOYSA-N 2 1 361.490 1.077 20 30 FDEDMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000561979850 546000191 /nfs/dbraw/zinc/00/01/91/546000191.db2.gz GZTZNKADKCMESD-CALCHBBNSA-N 2 1 360.502 1.987 20 30 FDEDMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000561979850 546000192 /nfs/dbraw/zinc/00/01/92/546000192.db2.gz GZTZNKADKCMESD-CALCHBBNSA-N 2 1 360.502 1.987 20 30 FDEDMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@@H](C)O1 ZINC000561979851 546000345 /nfs/dbraw/zinc/00/03/45/546000345.db2.gz GZTZNKADKCMESD-IAGOWNOFSA-N 2 1 360.502 1.987 20 30 FDEDMP C[C@@]1(F)C[NH2+]CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593720426 552182290 /nfs/dbraw/zinc/18/22/90/552182290.db2.gz KSYXPTPJLZCOOF-HXUWFJFHSA-N 2 1 373.476 1.866 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)C1 ZINC000595641130 552596175 /nfs/dbraw/zinc/59/61/75/552596175.db2.gz BSTBJIVYAANDPE-IBGZPJMESA-N 2 1 372.513 1.856 20 30 FDEDMP N#Cc1ccc(CC[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000595892608 552629473 /nfs/dbraw/zinc/62/94/73/552629473.db2.gz NRCWGKFBOVLVMC-OALUTQOASA-N 2 1 353.470 1.321 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)[C@H](C)C1 ZINC000599373044 553039188 /nfs/dbraw/zinc/03/91/88/553039188.db2.gz RQVCCRPVEDJPEF-QRVBRYPASA-N 2 1 367.534 1.784 20 30 FDEDMP C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083093977 671471045 /nfs/dbraw/zinc/47/10/45/671471045.db2.gz OHCQEVSZDCUTKF-HOCLYGCPSA-N 2 1 361.559 1.896 20 30 FDEDMP C[NH+]=C(NC[C@H](C)N1CCc2sccc2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083093977 671471047 /nfs/dbraw/zinc/47/10/47/671471047.db2.gz OHCQEVSZDCUTKF-HOCLYGCPSA-N 2 1 361.559 1.896 20 30 FDEDMP [NH2+]=C(NCCCc1nc2c(s1)CCCC2)NCCC[NH+]1CCOCC1 ZINC000104192912 671595079 /nfs/dbraw/zinc/59/50/79/671595079.db2.gz SOCOYPCKOGUEFA-UHFFFAOYSA-N 2 1 365.547 1.581 20 30 FDEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262756625 672843133 /nfs/dbraw/zinc/84/31/33/672843133.db2.gz DMWCXUVQEFMXDF-PKOBYXMFSA-N 3 1 367.607 1.949 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000264774591 672924964 /nfs/dbraw/zinc/92/49/64/672924964.db2.gz TVEXTNVJEVAYGX-QZTJIDSGSA-N 2 1 351.539 1.230 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000267462453 673306802 /nfs/dbraw/zinc/30/68/02/673306802.db2.gz VNPZXCKLVZVKSH-YOEHRIQHSA-N 2 1 350.463 1.126 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(Br)c1 ZINC000283149982 675649221 /nfs/dbraw/zinc/64/92/21/675649221.db2.gz YWSRBQKHSJZEBZ-HUUCEWRRSA-N 2 1 369.307 1.871 20 30 FDEDMP CC(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000303788980 676543122 /nfs/dbraw/zinc/54/31/22/676543122.db2.gz UWSYQPCJILVDKC-SFHVURJKSA-N 3 1 353.555 1.514 20 30 FDEDMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303907856 676543639 /nfs/dbraw/zinc/54/36/39/676543639.db2.gz XEBZWGDOMXZHND-HNNXBMFYSA-N 2 1 353.511 1.728 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000328220554 676598094 /nfs/dbraw/zinc/59/80/94/676598094.db2.gz ZSOSLWCTCIMPDN-OAHLLOKOSA-N 2 1 355.276 1.734 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000328220554 676598095 /nfs/dbraw/zinc/59/80/95/676598095.db2.gz ZSOSLWCTCIMPDN-OAHLLOKOSA-N 2 1 355.276 1.734 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@H+]1C ZINC000329294918 676631605 /nfs/dbraw/zinc/63/16/05/676631605.db2.gz SBHHFJHZYAHVCE-VDHUWJSZSA-N 2 1 352.523 1.741 20 30 FDEDMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329615674 676646209 /nfs/dbraw/zinc/64/62/09/676646209.db2.gz SHWVESRNFRIQMJ-CGTJXYLNSA-N 2 1 350.507 1.618 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364342206 677009122 /nfs/dbraw/zinc/00/91/22/677009122.db2.gz MAJVWRLIADTMBN-ZJPYXAASSA-N 2 1 350.507 1.474 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000364342206 677009123 /nfs/dbraw/zinc/00/91/23/677009123.db2.gz MAJVWRLIADTMBN-ZJPYXAASSA-N 2 1 350.507 1.474 20 30 FDEDMP CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000409591209 678865106 /nfs/dbraw/zinc/86/51/06/678865106.db2.gz IYMRUCQABVTCSQ-DLBZAZTESA-N 2 1 373.567 1.061 20 30 FDEDMP C=CCNC(=O)c1cccnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680572 719638589 /nfs/dbraw/zinc/63/85/89/719638589.db2.gz WKZNGKMJJJFNID-UHFFFAOYSA-N 2 1 368.485 1.669 20 30 FDEDMP C=CCNC(=O)c1cccnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164680572 719638597 /nfs/dbraw/zinc/63/85/97/719638597.db2.gz WKZNGKMJJJFNID-UHFFFAOYSA-N 2 1 368.485 1.669 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193879 771226726 /nfs/dbraw/zinc/22/67/26/771226726.db2.gz LYSOLVOYWZDEIP-NZSAHSFTSA-N 2 1 358.486 1.632 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193879 771226729 /nfs/dbraw/zinc/22/67/29/771226729.db2.gz LYSOLVOYWZDEIP-NZSAHSFTSA-N 2 1 358.486 1.632 20 30 FDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001104290017 773663852 /nfs/dbraw/zinc/66/38/52/773663852.db2.gz XKGLUDLOJUIWOX-GGPKGHCWSA-N 2 1 361.530 1.727 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111776096 790443244 /nfs/dbraw/zinc/44/32/44/790443244.db2.gz OMAFPWPNUPGHMS-ZVDOUQERSA-N 2 1 361.530 1.870 20 30 FDEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111776096 790443255 /nfs/dbraw/zinc/44/32/55/790443255.db2.gz OMAFPWPNUPGHMS-ZVDOUQERSA-N 2 1 361.530 1.870 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471871739 779466942 /nfs/dbraw/zinc/46/69/42/779466942.db2.gz MSVOXKKADPQTNZ-MSOLQXFVSA-N 2 1 358.486 1.670 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471871739 779466943 /nfs/dbraw/zinc/46/69/43/779466943.db2.gz MSVOXKKADPQTNZ-MSOLQXFVSA-N 2 1 358.486 1.670 20 30 FDEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024444772 784707054 /nfs/dbraw/zinc/70/70/54/784707054.db2.gz CNEBMTYSWKXHGH-ZCNNSNEGSA-N 2 1 361.530 1.727 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001104793633 793709848 /nfs/dbraw/zinc/70/98/48/793709848.db2.gz CQTIKLPWSSGXBS-IEBWSBKVSA-N 2 1 360.502 1.696 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(C#N)ccc3F)C2)CC[N@H+]1C ZINC001026853937 800030661 /nfs/dbraw/zinc/03/06/61/800030661.db2.gz WBAUQWPKDPDLER-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3C#N)C2)O1 ZINC001026916081 800172215 /nfs/dbraw/zinc/17/22/15/800172215.db2.gz AADYYXJKSZZOTI-JTDSTZFVSA-N 2 1 356.470 1.215 20 30 FDEDMP C=CC[C@@]1(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CCC[NH2+]1 ZINC000662722838 802903343 /nfs/dbraw/zinc/90/33/43/802903343.db2.gz SLCSFRVFJXYKLZ-FQEVSTJZSA-N 2 1 362.518 1.087 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)cc1C#N ZINC001075613339 809053479 /nfs/dbraw/zinc/05/34/79/809053479.db2.gz AEPOTZXOQKXSEQ-QXAKKESOSA-N 2 1 368.481 1.694 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)[C@@H]3C2)cc1C#N ZINC001075613339 809053486 /nfs/dbraw/zinc/05/34/86/809053486.db2.gz AEPOTZXOQKXSEQ-QXAKKESOSA-N 2 1 368.481 1.694 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@@H+]4C)[C@@H]3C2)cc1C#N ZINC001075613339 809053493 /nfs/dbraw/zinc/05/34/93/809053493.db2.gz AEPOTZXOQKXSEQ-QXAKKESOSA-N 2 1 368.481 1.694 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)[C@@H]3C2)cc1C#N ZINC001075613339 809053500 /nfs/dbraw/zinc/05/35/00/809053500.db2.gz AEPOTZXOQKXSEQ-QXAKKESOSA-N 2 1 368.481 1.694 20 30 FDEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000424139967 815316437 /nfs/dbraw/zinc/31/64/37/815316437.db2.gz ATKYGPYXGLKSAB-WBVHZDCISA-N 2 1 357.458 1.344 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001028628670 811654354 /nfs/dbraw/zinc/65/43/54/811654354.db2.gz XPGIJSXTEQFQNQ-CKEIUWERSA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(C#N)s3)C2)O1 ZINC001028628670 811654362 /nfs/dbraw/zinc/65/43/62/811654362.db2.gz XPGIJSXTEQFQNQ-CKEIUWERSA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001028628670 811654371 /nfs/dbraw/zinc/65/43/71/811654371.db2.gz XPGIJSXTEQFQNQ-CKEIUWERSA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)O1 ZINC001028628670 811654379 /nfs/dbraw/zinc/65/43/79/811654379.db2.gz XPGIJSXTEQFQNQ-CKEIUWERSA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)CC[N@@H+]1C ZINC001075809213 820968620 /nfs/dbraw/zinc/96/86/20/820968620.db2.gz ZLSKSTSPUHCAHX-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)CC[N@H+]1C ZINC001075809213 820968624 /nfs/dbraw/zinc/96/86/24/820968624.db2.gz ZLSKSTSPUHCAHX-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)CC[NH+]1C ZINC001075809213 820968630 /nfs/dbraw/zinc/96/86/30/820968630.db2.gz ZLSKSTSPUHCAHX-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC[NH+]1C ZINC001075809213 820968637 /nfs/dbraw/zinc/96/86/37/820968637.db2.gz ZLSKSTSPUHCAHX-XWPNQZOQSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)CC[N@@H+]1C ZINC001075812122 821495572 /nfs/dbraw/zinc/49/55/72/821495572.db2.gz WNDKQCATCKRFTE-GFOJFJKKSA-N 2 1 351.494 1.911 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC001075812122 821495578 /nfs/dbraw/zinc/49/55/78/821495578.db2.gz WNDKQCATCKRFTE-GFOJFJKKSA-N 2 1 351.494 1.911 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001075812122 821495581 /nfs/dbraw/zinc/49/55/81/821495581.db2.gz WNDKQCATCKRFTE-GFOJFJKKSA-N 2 1 351.494 1.911 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC001075812122 821495590 /nfs/dbraw/zinc/49/55/90/821495590.db2.gz WNDKQCATCKRFTE-GFOJFJKKSA-N 2 1 351.494 1.911 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCCCO3)[C@@H]2CC)CC1 ZINC001087840174 822559259 /nfs/dbraw/zinc/55/92/59/822559259.db2.gz KWBOIEWUAKVITG-HSALFYBXSA-N 2 1 361.530 1.870 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908629 823745690 /nfs/dbraw/zinc/74/56/90/823745690.db2.gz ILQXLOBSEGJWIX-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908629 823745693 /nfs/dbraw/zinc/74/56/93/823745693.db2.gz ILQXLOBSEGJWIX-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)CC[C@@H]2C1 ZINC001087908629 823745699 /nfs/dbraw/zinc/74/56/99/823745699.db2.gz ILQXLOBSEGJWIX-AABGKKOBSA-N 2 1 352.482 1.933 20 30 FDEDMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C[C@H](C)O1 ZINC000329058926 824549954 /nfs/dbraw/zinc/54/99/54/824549954.db2.gz UGEFKBMLUWPZRF-TWMKSMIVSA-N 2 1 368.522 1.193 20 30 FDEDMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]3OCCN(C)[C@@H]3C2)C[C@H](C)O1 ZINC000329058926 824549955 /nfs/dbraw/zinc/54/99/55/824549955.db2.gz UGEFKBMLUWPZRF-TWMKSMIVSA-N 2 1 368.522 1.193 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CCC[N@H+]1C ZINC000329152303 824632517 /nfs/dbraw/zinc/63/25/17/824632517.db2.gz APMQSNAGHXHIGJ-UKBAYJJMSA-N 2 1 374.533 1.743 20 30 FDEDMP CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000329390997 824768049 /nfs/dbraw/zinc/76/80/49/824768049.db2.gz VDVBYSWEEDEKDD-DLBZAZTESA-N 2 1 366.506 1.141 20 30 FDEDMP CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000329390997 824768053 /nfs/dbraw/zinc/76/80/53/824768053.db2.gz VDVBYSWEEDEKDD-DLBZAZTESA-N 2 1 366.506 1.141 20 30 FDEDMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992165 824952857 /nfs/dbraw/zinc/95/28/57/824952857.db2.gz GYMYLTANIFZSGL-HBFSDRIKSA-N 2 1 361.530 1.986 20 30 FDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992165 824952859 /nfs/dbraw/zinc/95/28/59/824952859.db2.gz GYMYLTANIFZSGL-HBFSDRIKSA-N 2 1 361.530 1.986 20 30 FDEDMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992165 824952862 /nfs/dbraw/zinc/95/28/62/824952862.db2.gz GYMYLTANIFZSGL-HBFSDRIKSA-N 2 1 361.530 1.986 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329738253 825408498 /nfs/dbraw/zinc/40/84/98/825408498.db2.gz UCZUWHGWAJCVIJ-ZACQAIPSSA-N 2 1 366.506 1.139 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000329738253 825408504 /nfs/dbraw/zinc/40/85/04/825408504.db2.gz UCZUWHGWAJCVIJ-ZACQAIPSSA-N 2 1 366.506 1.139 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC[N@H+]1C ZINC000329738253 825408510 /nfs/dbraw/zinc/40/85/10/825408510.db2.gz UCZUWHGWAJCVIJ-ZACQAIPSSA-N 2 1 366.506 1.139 20 30 FDEDMP CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000262341192 825499077 /nfs/dbraw/zinc/49/90/77/825499077.db2.gz XCGCCCSYTHJXNZ-LZLYRXPVSA-N 2 1 363.550 1.767 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001088200038 827432697 /nfs/dbraw/zinc/43/26/97/827432697.db2.gz MVAZRGDMRVHIKG-AABGKKOBSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001088200038 827432700 /nfs/dbraw/zinc/43/27/00/827432700.db2.gz MVAZRGDMRVHIKG-AABGKKOBSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001088200038 827432707 /nfs/dbraw/zinc/43/27/07/827432707.db2.gz MVAZRGDMRVHIKG-AABGKKOBSA-N 2 1 352.482 1.790 20 30 FDEDMP C[C@H]1CN(CC#CCN2CC[N@H+](C3CC3)C[C@@H](C)C2)CC[NH+](C2CC2)C1 ZINC000451095533 830249361 /nfs/dbraw/zinc/24/93/61/830249361.db2.gz STZVIXOLBKDWNK-PMACEKPBSA-N 2 1 358.574 1.822 20 30 FDEDMP CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000246003844 835791358 /nfs/dbraw/zinc/79/13/58/835791358.db2.gz JNRCOJYFDHAJMI-FHWLQOOXSA-N 2 1 361.534 1.095 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668972 844115262 /nfs/dbraw/zinc/11/52/62/844115262.db2.gz NMMZWEZXFOSEBS-LFGUQSLTSA-N 2 1 360.502 1.734 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105642078 842302370 /nfs/dbraw/zinc/30/23/70/842302370.db2.gz HMMOCUBUUJEPLT-LFGUQSLTSA-N 2 1 358.486 1.181 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105666541 843201994 /nfs/dbraw/zinc/20/19/94/843201994.db2.gz GQNXJZNZJZZQMW-LFGUQSLTSA-N 2 1 351.535 1.870 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105676279 845886069 /nfs/dbraw/zinc/88/60/69/845886069.db2.gz VDQGICHYKAISMG-IZBJGVDFSA-N 2 1 351.535 1.869 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)c4cnccn4)C[C@H]32)CC1 ZINC001076604500 848553931 /nfs/dbraw/zinc/55/39/31/848553931.db2.gz JETPTTPYTZXIMO-XKGZKEIXSA-N 2 1 367.497 1.416 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)c4cnccn4)C[C@H]32)CC1 ZINC001076604500 848553943 /nfs/dbraw/zinc/55/39/43/848553943.db2.gz JETPTTPYTZXIMO-XKGZKEIXSA-N 2 1 367.497 1.416 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccns4)C[C@H]32)CC1 ZINC001076605623 848556156 /nfs/dbraw/zinc/55/61/56/848556156.db2.gz KERLHPKECYIQKC-FUHWJXTLSA-N 2 1 358.511 1.521 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccns4)C[C@H]32)CC1 ZINC001076605623 848556160 /nfs/dbraw/zinc/55/61/60/848556160.db2.gz KERLHPKECYIQKC-FUHWJXTLSA-N 2 1 358.511 1.521 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668840223 857692659 /nfs/dbraw/zinc/69/26/59/857692659.db2.gz FKLVYOGNEMEGLA-INIZCTEOSA-N 2 1 350.507 1.132 20 30 FDEDMP C=C(CC[NH+](C)C)C(=O)N1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000911891441 859095256 /nfs/dbraw/zinc/09/52/56/859095256.db2.gz HAMHBGBASSGUOJ-UXHICEINSA-N 2 1 357.498 1.996 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N[C@]1(C(=O)OC)CCC[N@@H+](Cc2ccccc2)C1 ZINC000912037200 859251762 /nfs/dbraw/zinc/25/17/62/859251762.db2.gz KTWMDXMFSDKPNC-HXUWFJFHSA-N 2 1 359.470 1.428 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000669034956 860848096 /nfs/dbraw/zinc/84/80/96/860848096.db2.gz FMAARBLUOPYXFX-SJORKVTESA-N 2 1 358.490 1.284 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000669034956 860848107 /nfs/dbraw/zinc/84/81/07/860848107.db2.gz FMAARBLUOPYXFX-SJORKVTESA-N 2 1 358.490 1.284 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)[C@@H]2C)CC1 ZINC001089059267 866383199 /nfs/dbraw/zinc/38/31/99/866383199.db2.gz GQYIJUWYOLNILR-HYVNUMGLSA-N 2 1 369.456 1.335 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591139 876060189 /nfs/dbraw/zinc/06/01/89/876060189.db2.gz OYQPOBDFRCBLEH-BPQIPLTHSA-N 2 1 360.502 1.641 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001083178067 912556762 /nfs/dbraw/zinc/55/67/62/912556762.db2.gz ZUMYSYQRBQGFKR-NZSAHSFTSA-N 2 1 358.486 1.632 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCc4c[nH+]c(C)n4C3)[C@H]2C1 ZINC001083178067 912556769 /nfs/dbraw/zinc/55/67/69/912556769.db2.gz ZUMYSYQRBQGFKR-NZSAHSFTSA-N 2 1 358.486 1.632 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)CC2)O1 ZINC001034675991 884703447 /nfs/dbraw/zinc/70/34/47/884703447.db2.gz UNWUQLGEJCVUOQ-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(C#N)cc3)CC2)O1 ZINC001034675991 884703457 /nfs/dbraw/zinc/70/34/57/884703457.db2.gz UNWUQLGEJCVUOQ-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257606 886931686 /nfs/dbraw/zinc/93/16/86/886931686.db2.gz LCHDBQWIRCJFBY-SQNIBIBYSA-N 2 1 362.522 1.706 20 30 FDEDMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001031681356 887379538 /nfs/dbraw/zinc/37/95/38/887379538.db2.gz NZXAWKBFMZJAKM-RDTXWAMCSA-N 2 1 356.470 1.455 20 30 FDEDMP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001031681356 887379557 /nfs/dbraw/zinc/37/95/57/887379557.db2.gz NZXAWKBFMZJAKM-RDTXWAMCSA-N 2 1 356.470 1.455 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000923090739 888001921 /nfs/dbraw/zinc/00/19/21/888001921.db2.gz DWPRIAPSMBNYDI-BEFAXECRSA-N 2 1 355.486 1.914 20 30 FDEDMP C#CCN(C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000921493628 888038673 /nfs/dbraw/zinc/03/86/73/888038673.db2.gz SHWVKQYBLOIRPN-RTBURBONSA-N 2 1 362.518 1.369 20 30 FDEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000466728569 889345499 /nfs/dbraw/zinc/34/54/99/889345499.db2.gz ONVOOCFLDCWRCT-UHFFFAOYSA-N 2 1 372.513 1.997 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001084231101 913775420 /nfs/dbraw/zinc/77/54/20/913775420.db2.gz STTXKOGSVGLGSI-YZGWKJHDSA-N 2 1 368.481 1.716 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001084231101 913775431 /nfs/dbraw/zinc/77/54/31/913775431.db2.gz STTXKOGSVGLGSI-YZGWKJHDSA-N 2 1 368.481 1.716 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001084231101 913775444 /nfs/dbraw/zinc/77/54/44/913775444.db2.gz STTXKOGSVGLGSI-YZGWKJHDSA-N 2 1 368.481 1.716 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC(C)CC3)C[C@H]2O)CC1 ZINC001078227370 898428998 /nfs/dbraw/zinc/42/89/98/898428998.db2.gz WWIJJGHXMJCRJT-OTGCGEFBSA-N 2 1 361.530 1.319 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC[C@H]1c1ccc(F)cc1 ZINC001079150051 901981942 /nfs/dbraw/zinc/98/19/42/901981942.db2.gz ZMBLPBRXNYISOI-IPMKNSEASA-N 2 1 361.461 1.616 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC[C@H]1c1ccc(F)cc1 ZINC001079150051 901981948 /nfs/dbraw/zinc/98/19/48/901981948.db2.gz ZMBLPBRXNYISOI-IPMKNSEASA-N 2 1 361.461 1.616 20 30 FDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079135999 902005757 /nfs/dbraw/zinc/00/57/57/902005757.db2.gz ZKVFYZDRQDQAFS-CWJKEVGVSA-N 2 1 371.525 1.977 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135999 902005767 /nfs/dbraw/zinc/00/57/67/902005767.db2.gz ZKVFYZDRQDQAFS-CWJKEVGVSA-N 2 1 371.525 1.977 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135999 902005781 /nfs/dbraw/zinc/00/57/81/902005781.db2.gz ZKVFYZDRQDQAFS-CWJKEVGVSA-N 2 1 371.525 1.977 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079273848 902317117 /nfs/dbraw/zinc/31/71/17/902317117.db2.gz SQXZZMVASUEYRK-ZWKOTPCHSA-N 2 1 356.470 1.154 20 30 FDEDMP C=CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079242979 902339147 /nfs/dbraw/zinc/33/91/47/902339147.db2.gz DMBNKLKWHNPTDL-AKHDSKFASA-N 2 1 361.530 1.842 20 30 FDEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436295 904902553 /nfs/dbraw/zinc/90/25/53/904902553.db2.gz UPCAGSJEBGYLKV-QWFCFKBJSA-N 2 1 357.502 1.197 20 30 FDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436295 904902559 /nfs/dbraw/zinc/90/25/59/904902559.db2.gz UPCAGSJEBGYLKV-QWFCFKBJSA-N 2 1 357.502 1.197 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943215 906763740 /nfs/dbraw/zinc/76/37/40/906763740.db2.gz WFMGLMXCNKNOOQ-VQIMIIECSA-N 2 1 356.470 1.621 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001080943215 906763760 /nfs/dbraw/zinc/76/37/60/906763760.db2.gz WFMGLMXCNKNOOQ-VQIMIIECSA-N 2 1 356.470 1.621 20 30 FDEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1 ZINC001082741781 909941827 /nfs/dbraw/zinc/94/18/27/909941827.db2.gz COCUMNNKSCHCEJ-MBOZVWFJSA-N 2 1 370.497 1.867 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084773498 917028039 /nfs/dbraw/zinc/02/80/39/917028039.db2.gz SAIYYGHENFMMKK-VAMGGRTRSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084773498 917028014 /nfs/dbraw/zinc/02/80/14/917028014.db2.gz SAIYYGHENFMMKK-VAMGGRTRSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4cccc(C#N)c4)C[C@H]32)C1 ZINC001084773498 917028027 /nfs/dbraw/zinc/02/80/27/917028027.db2.gz SAIYYGHENFMMKK-VAMGGRTRSA-N 2 1 352.482 1.933 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1C#N ZINC001084830362 917507377 /nfs/dbraw/zinc/50/73/77/917507377.db2.gz SUZJVVNMPKYVDT-ZHALLVOQSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[NH+](C)C4)[C@@H]3C2)cc1C#N ZINC001084830362 917507385 /nfs/dbraw/zinc/50/73/85/917507385.db2.gz SUZJVVNMPKYVDT-ZHALLVOQSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@H+](C)C4)[C@@H]3C2)cc1C#N ZINC001084830362 917507391 /nfs/dbraw/zinc/50/73/91/917507391.db2.gz SUZJVVNMPKYVDT-ZHALLVOQSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)C4)[C@@H]3C2)cc1C#N ZINC001084830362 917507398 /nfs/dbraw/zinc/50/73/98/917507398.db2.gz SUZJVVNMPKYVDT-ZHALLVOQSA-N 2 1 368.481 1.551 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957568 918841084 /nfs/dbraw/zinc/84/10/84/918841084.db2.gz HFPNSLLUGGUHGP-RLLQIKCJSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957568 918841097 /nfs/dbraw/zinc/84/10/97/918841097.db2.gz HFPNSLLUGGUHGP-RLLQIKCJSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957568 918841104 /nfs/dbraw/zinc/84/11/04/918841104.db2.gz HFPNSLLUGGUHGP-RLLQIKCJSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cncn4C)[C@H]3C2)CC1 ZINC001085100642 920916179 /nfs/dbraw/zinc/91/61/79/920916179.db2.gz SGZLSGAWQTXKRG-XLIONFOSSA-N 2 1 369.513 1.188 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837572 938534973 /nfs/dbraw/zinc/53/49/73/938534973.db2.gz GEGAQSZMAHDTFR-KURKYZTESA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001129932063 938562328 /nfs/dbraw/zinc/56/23/28/938562328.db2.gz LAHCNMUODRMMQX-MSOLQXFVSA-N 2 1 371.489 1.571 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044109 938643285 /nfs/dbraw/zinc/64/32/85/938643285.db2.gz QHSTYRZTYUMSLA-MSOLQXFVSA-N 2 1 360.506 1.155 20 30 FDEDMP C#CCNC(=O)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000815117461 941780381 /nfs/dbraw/zinc/78/03/81/941780381.db2.gz NNKXGVVACYZXKO-HXUWFJFHSA-N 2 1 354.498 1.018 20 30 FDEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592811 971240646 /nfs/dbraw/zinc/24/06/46/971240646.db2.gz XJDIDVYUSBSIEK-LJQANCHMSA-N 2 1 373.501 1.749 20 30 FDEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592811 971240653 /nfs/dbraw/zinc/24/06/53/971240653.db2.gz XJDIDVYUSBSIEK-LJQANCHMSA-N 2 1 373.501 1.749 20 30 FDEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592811 971240661 /nfs/dbraw/zinc/24/06/61/971240661.db2.gz XJDIDVYUSBSIEK-LJQANCHMSA-N 2 1 373.501 1.749 20 30 FDEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592811 971240663 /nfs/dbraw/zinc/24/06/63/971240663.db2.gz XJDIDVYUSBSIEK-LJQANCHMSA-N 2 1 373.501 1.749 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1nc(Cl)nc2c1CC[NH2+]CC2 ZINC001171067767 946807315 /nfs/dbraw/zinc/80/73/15/946807315.db2.gz OYBYGMFTRDZVLK-ZDUSSCGKSA-N 2 1 367.881 1.457 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cncc([C@H]2C[NH+]3CCC2CC3)n1 ZINC001171070440 946828399 /nfs/dbraw/zinc/82/83/99/946828399.db2.gz BKYSQPXSANDNHF-IRXDYDNUSA-N 2 1 373.501 1.925 20 30 FDEDMP C#CCC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091400427 951572916 /nfs/dbraw/zinc/57/29/16/951572916.db2.gz JAWUOOQPAILCBV-LSTHTHJFSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CCC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091400427 951572927 /nfs/dbraw/zinc/57/29/27/951572927.db2.gz JAWUOOQPAILCBV-LSTHTHJFSA-N 2 1 370.497 1.514 20 30 FDEDMP C#CCC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091400427 951572937 /nfs/dbraw/zinc/57/29/37/951572937.db2.gz JAWUOOQPAILCBV-LSTHTHJFSA-N 2 1 370.497 1.514 20 30 FDEDMP N=C(Nc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1)c1ccc(C(N)=O)cc1 ZINC001171258938 951728453 /nfs/dbraw/zinc/72/84/53/951728453.db2.gz QUGUFANZLGNVST-UHFFFAOYSA-N 2 1 365.481 1.993 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001091565614 952092208 /nfs/dbraw/zinc/09/22/08/952092208.db2.gz SMXUKQMLFGFEOZ-SBHAEUEKSA-N 2 1 368.481 1.169 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001091565614 952092214 /nfs/dbraw/zinc/09/22/14/952092214.db2.gz SMXUKQMLFGFEOZ-SBHAEUEKSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001091565614 952092220 /nfs/dbraw/zinc/09/22/20/952092220.db2.gz SMXUKQMLFGFEOZ-SBHAEUEKSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001091565614 952092227 /nfs/dbraw/zinc/09/22/27/952092227.db2.gz SMXUKQMLFGFEOZ-SBHAEUEKSA-N 2 1 368.481 1.169 20 30 FDEDMP C#CC[N@H+]1CCCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001147291214 952366043 /nfs/dbraw/zinc/36/60/43/952366043.db2.gz MDRKJJPGFAMQSD-UHFFFAOYSA-N 2 1 357.498 1.727 20 30 FDEDMP C#CC[N@@H+]1CCCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC001147291214 952366049 /nfs/dbraw/zinc/36/60/49/952366049.db2.gz MDRKJJPGFAMQSD-UHFFFAOYSA-N 2 1 357.498 1.727 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3conc3CC)C[C@@]2(C)C1 ZINC001091748706 952794546 /nfs/dbraw/zinc/79/45/46/952794546.db2.gz WIACSSZCKINUMG-LMNJBCLMSA-N 2 1 370.497 1.615 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3conc3CC)C[C@@]2(C)C1 ZINC001091748706 952794550 /nfs/dbraw/zinc/79/45/50/952794550.db2.gz WIACSSZCKINUMG-LMNJBCLMSA-N 2 1 370.497 1.615 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3conc3CC)C[C@@]2(C)C1 ZINC001091748706 952794551 /nfs/dbraw/zinc/79/45/51/952794551.db2.gz WIACSSZCKINUMG-LMNJBCLMSA-N 2 1 370.497 1.615 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3conc3CC)C[C@@]2(C)C1 ZINC001091748706 952794553 /nfs/dbraw/zinc/79/45/53/952794553.db2.gz WIACSSZCKINUMG-LMNJBCLMSA-N 2 1 370.497 1.615 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985937 953004827 /nfs/dbraw/zinc/00/48/27/953004827.db2.gz MBHFKDCEOBADSC-OTWHNJEPSA-N 2 1 357.502 1.058 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@]2(C)C1 ZINC001092272535 954653637 /nfs/dbraw/zinc/65/36/37/954653637.db2.gz FNJATSAFHWFEDH-FMKPAKJESA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@]2(C)C1 ZINC001092272535 954653646 /nfs/dbraw/zinc/65/36/46/954653646.db2.gz FNJATSAFHWFEDH-FMKPAKJESA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272535 954653649 /nfs/dbraw/zinc/65/36/49/954653649.db2.gz FNJATSAFHWFEDH-FMKPAKJESA-N 2 1 356.308 1.627 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@]2(C)C1 ZINC001092272535 954653655 /nfs/dbraw/zinc/65/36/55/954653655.db2.gz FNJATSAFHWFEDH-FMKPAKJESA-N 2 1 356.308 1.627 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193037 957749849 /nfs/dbraw/zinc/74/98/49/957749849.db2.gz ASLBVXOOUCBHLN-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193037 957749855 /nfs/dbraw/zinc/74/98/55/957749855.db2.gz ASLBVXOOUCBHLN-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193037 957749867 /nfs/dbraw/zinc/74/98/67/957749867.db2.gz ASLBVXOOUCBHLN-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193037 957749874 /nfs/dbraw/zinc/74/98/74/957749874.db2.gz ASLBVXOOUCBHLN-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093195431 957759566 /nfs/dbraw/zinc/75/95/66/957759566.db2.gz QXMDRSBBWWVDAA-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195431 957759572 /nfs/dbraw/zinc/75/95/72/957759572.db2.gz QXMDRSBBWWVDAA-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195431 957759576 /nfs/dbraw/zinc/75/95/76/957759576.db2.gz QXMDRSBBWWVDAA-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093459419 958181168 /nfs/dbraw/zinc/18/11/68/958181168.db2.gz SYKJYGSEQCDKES-HNBVOPMISA-N 2 1 360.502 1.734 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)C1=O ZINC001110153628 959832098 /nfs/dbraw/zinc/83/20/98/959832098.db2.gz DJXWVMMZXWAFOJ-XWSJACJDSA-N 2 1 374.529 1.371 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)C1=O ZINC001110153628 959832105 /nfs/dbraw/zinc/83/21/05/959832105.db2.gz DJXWVMMZXWAFOJ-XWSJACJDSA-N 2 1 374.529 1.371 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001094219157 960035996 /nfs/dbraw/zinc/03/59/96/960035996.db2.gz FRVBTNVWMBQDEE-HHXXYDBFSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)cc1C#N ZINC001094219288 960036815 /nfs/dbraw/zinc/03/68/15/960036815.db2.gz IEUOONLWUFGNPH-SZVBFZGTSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)cc1C#N ZINC001189034843 966709666 /nfs/dbraw/zinc/70/96/66/966709666.db2.gz PBDDZKQFOMLWAZ-FUHWJXTLSA-N 2 1 356.470 1.551 20 30 FDEDMP C=CCN(CC=C)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237740 967683577 /nfs/dbraw/zinc/68/35/77/967683577.db2.gz FEWYULFPEIUJPV-KZNAEPCWSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237740 967683587 /nfs/dbraw/zinc/68/35/87/967683587.db2.gz FEWYULFPEIUJPV-KZNAEPCWSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237740 967683591 /nfs/dbraw/zinc/68/35/91/967683591.db2.gz FEWYULFPEIUJPV-KZNAEPCWSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237740 967683596 /nfs/dbraw/zinc/68/35/96/967683596.db2.gz FEWYULFPEIUJPV-KZNAEPCWSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237740 967683601 /nfs/dbraw/zinc/68/36/01/967683601.db2.gz FEWYULFPEIUJPV-KZNAEPCWSA-N 2 1 362.518 1.060 20 30 FDEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787597 974906664 /nfs/dbraw/zinc/90/66/64/974906664.db2.gz UVWUQRWPKPINNL-CEXWTWQISA-N 2 1 367.534 1.659 20 30 FDEDMP C=CCCCCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787597 974906666 /nfs/dbraw/zinc/90/66/66/974906666.db2.gz UVWUQRWPKPINNL-CEXWTWQISA-N 2 1 367.534 1.659 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1 ZINC000858493771 982078416 /nfs/dbraw/zinc/07/84/16/982078416.db2.gz GVGWIDOJHGNNCI-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000858493771 982078421 /nfs/dbraw/zinc/07/84/21/982078421.db2.gz GVGWIDOJHGNNCI-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000858493771 982078434 /nfs/dbraw/zinc/07/84/34/982078434.db2.gz GVGWIDOJHGNNCI-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1Cc1ccc(OC)cc1 ZINC000858493771 982078442 /nfs/dbraw/zinc/07/84/42/982078442.db2.gz GVGWIDOJHGNNCI-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP Cc1cccc(C[NH+]2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)c1 ZINC000884179411 982952359 /nfs/dbraw/zinc/95/23/59/982952359.db2.gz NMIPQQXIUFGEGP-SCCNAQOGSA-N 2 1 352.482 1.779 20 30 FDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1CCc2ccccc2C1 ZINC000884205098 982980914 /nfs/dbraw/zinc/98/09/14/982980914.db2.gz MMEDHNVHBRGZPG-PJABQADQSA-N 2 1 352.482 1.689 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)C2 ZINC000884401292 983138939 /nfs/dbraw/zinc/13/89/39/983138939.db2.gz KFLKFPIBKFLZLC-XTBIFASLSA-N 2 1 368.481 1.009 20 30 FDEDMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455792 989214364 /nfs/dbraw/zinc/21/43/64/989214364.db2.gz GRESSRZOFOGLLY-PMACEKPBSA-N 2 1 372.513 1.257 20 30 FDEDMP C#CCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C2 ZINC001095430071 990267119 /nfs/dbraw/zinc/26/71/19/990267119.db2.gz CUJVOJWSGOQZFM-SLHNCBLASA-N 2 1 359.514 1.478 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000876780789 992907015 /nfs/dbraw/zinc/90/70/15/992907015.db2.gz BRPCVTBMTMPCLG-MRXNPFEDSA-N 2 1 354.857 1.534 20 30 FDEDMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000877229969 993123483 /nfs/dbraw/zinc/12/34/83/993123483.db2.gz UOPPJOLTGVDPNP-RBUKOAKNSA-N 2 1 358.486 1.723 20 30 FDEDMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000877229969 993123486 /nfs/dbraw/zinc/12/34/86/993123486.db2.gz UOPPJOLTGVDPNP-RBUKOAKNSA-N 2 1 358.486 1.723 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(C#N)cc1 ZINC001095556458 993444548 /nfs/dbraw/zinc/44/45/48/993444548.db2.gz SAWDMIDSADRKAL-ANULTFPQSA-N 2 1 362.477 1.877 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(C#N)cc1 ZINC001095556458 993444560 /nfs/dbraw/zinc/44/45/60/993444560.db2.gz SAWDMIDSADRKAL-ANULTFPQSA-N 2 1 362.477 1.877 20 30 FDEDMP N#Cc1cc(C[NH+]2CCC[C@H](CO)C2)cc(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000877935477 993561246 /nfs/dbraw/zinc/56/12/46/993561246.db2.gz NWMYJOMABCJREC-HDICACEKSA-N 2 1 357.498 1.967 20 30 FDEDMP N#Cc1cc(C[NH+]2CCC[C@@H](CO)C2)cc(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000877935477 993561256 /nfs/dbraw/zinc/56/12/56/993561256.db2.gz NWMYJOMABCJREC-HDICACEKSA-N 2 1 357.498 1.967 20 30 FDEDMP N#Cc1cc(C[NH+]2CCC[C@@H](CO)C2)cc(C[N@H+]2CCC[C@H](CO)C2)c1 ZINC000877935477 993561264 /nfs/dbraw/zinc/56/12/64/993561264.db2.gz NWMYJOMABCJREC-HDICACEKSA-N 2 1 357.498 1.967 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(OCC(F)(F)F)cc1 ZINC000264077724 997397329 /nfs/dbraw/zinc/39/73/29/997397329.db2.gz HTODVFKZJAXDGK-UHFFFAOYSA-N 2 1 374.407 1.754 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-n2nc(C)cc2C)nc1 ZINC000264090042 997401296 /nfs/dbraw/zinc/40/12/96/997401296.db2.gz KSWIHMXBQCCBDM-KRWDZBQOSA-N 2 1 355.490 1.773 20 30 FDEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000264329909 997464106 /nfs/dbraw/zinc/46/41/06/997464106.db2.gz ZSEBPYBPHHLLSL-INIZCTEOSA-N 2 1 361.490 1.042 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000104166701 998311341 /nfs/dbraw/zinc/31/13/41/998311341.db2.gz DLPBTBXDZJPKDI-PMACEKPBSA-N 2 1 373.545 1.757 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000104170250 998312096 /nfs/dbraw/zinc/31/20/96/998312096.db2.gz PCKSBCCNHFODDC-MOPGFXCFSA-N 2 1 359.518 1.449 20 30 FDEDMP CC1CCN(C(=[NH2+])NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000267469438 999344055 /nfs/dbraw/zinc/34/40/55/999344055.db2.gz XHINTCBNGAVKHX-LJQANCHMSA-N 2 1 371.529 1.931 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000928655611 1001612000 /nfs/dbraw/zinc/61/20/00/1001612000.db2.gz UMAXKRWRPOKWTO-UHFFFAOYSA-N 2 1 372.488 1.795 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949083 1001645897 /nfs/dbraw/zinc/64/58/97/1001645897.db2.gz XNSRTIIYXWOYOK-ISARSNTHSA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949083 1001645900 /nfs/dbraw/zinc/64/59/00/1001645900.db2.gz XNSRTIIYXWOYOK-ISARSNTHSA-N 2 1 358.486 1.678 20 30 FDEDMP C[NH+]1CCC(OCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000929584479 1002228601 /nfs/dbraw/zinc/22/86/01/1002228601.db2.gz JNGAIDBQJYZJKJ-UHFFFAOYSA-N 2 1 370.497 1.703 20 30 FDEDMP C[NH+]1CCC(OCC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000929584479 1002228614 /nfs/dbraw/zinc/22/86/14/1002228614.db2.gz JNGAIDBQJYZJKJ-UHFFFAOYSA-N 2 1 370.497 1.703 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297665 1003775842 /nfs/dbraw/zinc/77/58/42/1003775842.db2.gz OELOBCXTWGYABN-VQHPVUNQSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001111297665 1003775845 /nfs/dbraw/zinc/77/58/45/1003775845.db2.gz OELOBCXTWGYABN-VQHPVUNQSA-N 2 1 350.507 1.131 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000779369077 1008893063 /nfs/dbraw/zinc/89/30/63/1008893063.db2.gz HURCPWHPERPILH-FPOVZHCZSA-N 2 1 355.482 1.179 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000779369077 1008893077 /nfs/dbraw/zinc/89/30/77/1008893077.db2.gz HURCPWHPERPILH-FPOVZHCZSA-N 2 1 355.482 1.179 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779369077 1008893093 /nfs/dbraw/zinc/89/30/93/1008893093.db2.gz HURCPWHPERPILH-FPOVZHCZSA-N 2 1 355.482 1.179 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000779369077 1008893111 /nfs/dbraw/zinc/89/31/11/1008893111.db2.gz HURCPWHPERPILH-FPOVZHCZSA-N 2 1 355.482 1.179 20 30 FDEDMP CCOCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000303883944 1009672023 /nfs/dbraw/zinc/67/20/23/1009672023.db2.gz IXDWZCSVSSZAGG-UHFFFAOYSA-N 2 1 361.534 1.655 20 30 FDEDMP [NH2+]=C(NCCc1ccccc1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000303892625 1009679255 /nfs/dbraw/zinc/67/92/55/1009679255.db2.gz NSYKYNJKKSBQHV-HXUWFJFHSA-N 2 1 352.482 1.553 20 30 FDEDMP C[C@@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528511884 539764641 /nfs/dbraw/zinc/76/46/41/539764641.db2.gz WQKGKFPDBVMHEV-VQIMIIECSA-N 2 1 359.470 1.483 20 30 FDEDMP C[C@@H]1COCC[N@H+]1C1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528511884 539764645 /nfs/dbraw/zinc/76/46/45/539764645.db2.gz WQKGKFPDBVMHEV-VQIMIIECSA-N 2 1 359.470 1.483 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000553329867 543610397 /nfs/dbraw/zinc/61/03/97/543610397.db2.gz RVVMYVFHYFZLKF-QFBILLFUSA-N 2 1 374.529 1.228 20 30 FDEDMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333833890 259385671 /nfs/dbraw/zinc/38/56/71/259385671.db2.gz MZALSWPTDIAKLJ-VQIMIIECSA-N 2 1 355.486 1.774 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000074132442 522689143 /nfs/dbraw/zinc/68/91/43/522689143.db2.gz NMRQYQDTXQFIJR-KRWDZBQOSA-N 2 1 351.539 1.210 20 30 FDEDMP COc1ccc(NC(=[NH2+])NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000104161267 525397878 /nfs/dbraw/zinc/39/78/78/525397878.db2.gz AXQLZBYORQFYGF-UHFFFAOYSA-N 2 1 369.473 1.424 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000106340814 525696664 /nfs/dbraw/zinc/69/66/64/525696664.db2.gz QEAYNBXFULQXQH-UHFFFAOYSA-N 2 1 365.566 1.694 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000106340814 525696670 /nfs/dbraw/zinc/69/66/70/525696670.db2.gz QEAYNBXFULQXQH-UHFFFAOYSA-N 2 1 365.566 1.694 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCOc3cccc(C#N)c3)CC2)CC1 ZINC000109789002 526183984 /nfs/dbraw/zinc/18/39/84/526183984.db2.gz CPIQOJXCRQIXDL-UHFFFAOYSA-N 2 1 370.497 1.813 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185685971 536215149 /nfs/dbraw/zinc/21/51/49/536215149.db2.gz RBDNYNSAYLMLRO-QGZVFWFLSA-N 2 1 351.539 1.352 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000264106105 537137836 /nfs/dbraw/zinc/13/78/36/537137836.db2.gz PKRCBNKNNAJFIZ-KRWDZBQOSA-N 2 1 356.474 1.770 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000190988503 537193497 /nfs/dbraw/zinc/19/34/97/537193497.db2.gz ABOXIQFVGQKLHT-OAQYLSRUSA-N 2 1 369.509 1.739 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422292640 538216715 /nfs/dbraw/zinc/21/67/15/538216715.db2.gz HMZTTWPRCJSZOD-KRWDZBQOSA-N 2 1 350.507 1.084 20 30 FDEDMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424152608 538246712 /nfs/dbraw/zinc/24/67/12/538246712.db2.gz IRVGATHPEQXTQD-MRXNPFEDSA-N 2 1 357.458 1.424 20 30 FDEDMP CN(CCC[N@@H+](C)CC(=O)N(C)C1(C#N)CCCCC1)CC[NH+](C)C ZINC000566526055 547794089 /nfs/dbraw/zinc/79/40/89/547794089.db2.gz FDYNHGFIIBMMQS-UHFFFAOYSA-N 2 1 351.539 1.487 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000567378284 548098339 /nfs/dbraw/zinc/09/83/39/548098339.db2.gz WCELQJAKFFWHNS-OTYNDTSQSA-N 2 1 356.514 1.978 20 30 FDEDMP COCC[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593339153 552092226 /nfs/dbraw/zinc/09/22/26/552092226.db2.gz FMMBLPCUAPOYIR-UHFFFAOYSA-N 2 1 373.501 1.400 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000594439188 552310563 /nfs/dbraw/zinc/31/05/63/552310563.db2.gz PHWPYPNMLDAKIC-SFHVURJKSA-N 2 1 361.465 1.475 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000595273320 552509467 /nfs/dbraw/zinc/50/94/67/552509467.db2.gz LUGSPFJNGWUWPH-UHFFFAOYSA-N 2 1 353.470 1.528 20 30 FDEDMP N#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000596091102 552654195 /nfs/dbraw/zinc/65/41/95/552654195.db2.gz HVZQMYXOMJGMSW-JKSUJKDBSA-N 2 1 352.486 2.250 20 30 FDEDMP N#Cc1ccc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091102 552654197 /nfs/dbraw/zinc/65/41/97/552654197.db2.gz HVZQMYXOMJGMSW-JKSUJKDBSA-N 2 1 352.486 2.250 20 30 FDEDMP N#Cc1ccc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596091102 552654198 /nfs/dbraw/zinc/65/41/98/552654198.db2.gz HVZQMYXOMJGMSW-JKSUJKDBSA-N 2 1 352.486 2.250 20 30 FDEDMP C[NH+]1CCN([C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000598703362 552926879 /nfs/dbraw/zinc/92/68/79/552926879.db2.gz GZIXGEGLVPXTIZ-HZPDHXFCSA-N 2 1 350.532 1.927 20 30 FDEDMP CCC1([NH+]2CCOCC2)CCN(C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000599663033 553116130 /nfs/dbraw/zinc/11/61/30/553116130.db2.gz ABHBQCOXAQDFOJ-LJQANCHMSA-N 2 1 373.497 1.875 20 30 FDEDMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000602630247 553614275 /nfs/dbraw/zinc/61/42/75/553614275.db2.gz LVPPLLVDMCZDEJ-LJQANCHMSA-N 2 1 370.497 1.484 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643255268 568404746 /nfs/dbraw/zinc/40/47/46/568404746.db2.gz ACGLITADNCZQDZ-UHFFFAOYSA-N 2 1 350.551 1.903 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246932412 672520831 /nfs/dbraw/zinc/52/08/31/672520831.db2.gz HCWIFCSRMDIEES-LSDHHAIUSA-N 2 1 353.511 1.775 20 30 FDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N(C)Cc1cc(Br)cn1C ZINC000261790656 672672897 /nfs/dbraw/zinc/67/28/97/672672897.db2.gz QJECDIFASDQTLV-GFCCVEGCSA-N 2 1 356.312 1.747 20 30 FDEDMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCSCC3)CC2)oc1C ZINC000262510043 672800956 /nfs/dbraw/zinc/80/09/56/672800956.db2.gz CWLAAXZWEMMWPU-UHFFFAOYSA-N 2 1 351.520 1.867 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(OC(F)(F)F)cc1 ZINC000264063467 672899787 /nfs/dbraw/zinc/89/97/87/672899787.db2.gz DHZWIGREYWGSLB-UHFFFAOYSA-N 2 1 360.380 1.712 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)ccc1OC ZINC000264083945 672900833 /nfs/dbraw/zinc/90/08/33/672900833.db2.gz IHQKOPGYIGUTEH-CZUORRHYSA-N 2 1 350.463 1.126 20 30 FDEDMP CN(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000264091575 672901132 /nfs/dbraw/zinc/90/11/32/672901132.db2.gz LCBKPWSSUNDUIT-KRWDZBQOSA-N 2 1 351.470 1.055 20 30 FDEDMP COc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000305090555 676544865 /nfs/dbraw/zinc/54/48/65/676544865.db2.gz PKEHLHGJTDTXKQ-UHFFFAOYSA-N 2 1 354.882 1.518 20 30 FDEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000329369095 676635831 /nfs/dbraw/zinc/63/58/31/676635831.db2.gz IETKWCYYECUKPU-WMZOPIPTSA-N 2 1 352.523 1.696 20 30 FDEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000329369095 676635834 /nfs/dbraw/zinc/63/58/34/676635834.db2.gz IETKWCYYECUKPU-WMZOPIPTSA-N 2 1 352.523 1.696 20 30 FDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329810896 676658018 /nfs/dbraw/zinc/65/80/18/676658018.db2.gz RAFPKBCNBKRWOO-VKJFTORMSA-N 2 1 350.507 1.474 20 30 FDEDMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000526136065 694644856 /nfs/dbraw/zinc/64/48/56/694644856.db2.gz WKVCJLDREPQLAS-UHFFFAOYSA-N 2 1 350.507 1.619 20 30 FDEDMP C=C(C)CC[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289729 773639045 /nfs/dbraw/zinc/63/90/45/773639045.db2.gz RMQOLLUSMKIQFB-QRVBRYPASA-N 2 1 361.534 1.854 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccs2)C1 ZINC001104306133 774439472 /nfs/dbraw/zinc/43/94/72/774439472.db2.gz MMYVXDLXGPHLCQ-ZACQAIPSSA-N 2 1 360.527 1.815 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nccs2)C1 ZINC001104306133 774439475 /nfs/dbraw/zinc/43/94/75/774439475.db2.gz MMYVXDLXGPHLCQ-ZACQAIPSSA-N 2 1 360.527 1.815 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001022104718 777949079 /nfs/dbraw/zinc/94/90/79/777949079.db2.gz BEPUCEFZKRAAFY-VYCZESIESA-N 2 1 356.470 1.666 20 30 FDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cccc(-n4ccnc4)c3)[C@H]2C1 ZINC001083239021 781726003 /nfs/dbraw/zinc/72/60/03/781726003.db2.gz OTNMVKOQUQVMME-RBUKOAKNSA-N 2 1 352.438 1.974 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1c1ccccc1 ZINC001211688113 805938865 /nfs/dbraw/zinc/93/88/65/805938865.db2.gz PDMPKCNZRVRVHT-LEWJYISDSA-N 2 1 369.509 1.706 20 30 FDEDMP CC#CC[NH2+]CC[C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001104846095 794037714 /nfs/dbraw/zinc/03/77/14/794037714.db2.gz IQJARICGQUNXCP-IAGOWNOFSA-N 2 1 351.454 1.978 20 30 FDEDMP COc1ccc(C#N)cc1CN1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892451 806874188 /nfs/dbraw/zinc/87/41/88/806874188.db2.gz WDTOBPVZBSEUQN-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892451 806874195 /nfs/dbraw/zinc/87/41/95/806874195.db2.gz WDTOBPVZBSEUQN-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892451 806874201 /nfs/dbraw/zinc/87/42/01/806874201.db2.gz WDTOBPVZBSEUQN-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001027892451 806874207 /nfs/dbraw/zinc/87/42/07/806874207.db2.gz WDTOBPVZBSEUQN-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892451 806874214 /nfs/dbraw/zinc/87/42/14/806874214.db2.gz WDTOBPVZBSEUQN-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP C[NH+]1CC[C@]2(C1)CCCN(CC#CCN1CCC[C@@]3(CC[N@H+](C)C3)C1)C2 ZINC000660665572 801007573 /nfs/dbraw/zinc/00/75/73/801007573.db2.gz WODDQRUCDDMFRU-VXKWHMMOSA-N 2 1 358.574 1.825 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)C[C@H](C)O1 ZINC000424136688 815316054 /nfs/dbraw/zinc/31/60/54/815316054.db2.gz REOLBTRGKKAJCW-FCEWJHQRSA-N 2 1 358.486 1.933 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000518015324 817672057 /nfs/dbraw/zinc/67/20/57/817672057.db2.gz OZOXAFXXEPXWHY-UHFFFAOYSA-N 2 1 372.513 1.968 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@H]3CCCO3)[C@@H]2CC)CC1 ZINC001087840138 822559220 /nfs/dbraw/zinc/55/92/20/822559220.db2.gz JKBXPXMNXVSCPX-HSALFYBXSA-N 2 1 361.530 1.870 20 30 FDEDMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)CC2)cn1 ZINC000329300028 824721813 /nfs/dbraw/zinc/72/18/13/824721813.db2.gz VJJWUWYYVMWQNT-MOPGFXCFSA-N 2 1 374.533 1.952 20 30 FDEDMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)CC2)cn1 ZINC000329300028 824721816 /nfs/dbraw/zinc/72/18/16/824721816.db2.gz VJJWUWYYVMWQNT-MOPGFXCFSA-N 2 1 374.533 1.952 20 30 FDEDMP CCn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cn1 ZINC000329300028 824721823 /nfs/dbraw/zinc/72/18/23/824721823.db2.gz VJJWUWYYVMWQNT-MOPGFXCFSA-N 2 1 374.533 1.952 20 30 FDEDMP CCn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cn1 ZINC000329300028 824721828 /nfs/dbraw/zinc/72/18/28/824721828.db2.gz VJJWUWYYVMWQNT-MOPGFXCFSA-N 2 1 374.533 1.952 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccnc3C)CC[C@@H]2C1 ZINC001087998230 825076425 /nfs/dbraw/zinc/07/64/25/825076425.db2.gz YCLSCUUBOXJLHP-HKBOAZHASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccnc3C)CC[C@@H]2C1 ZINC001087998230 825076431 /nfs/dbraw/zinc/07/64/31/825076431.db2.gz YCLSCUUBOXJLHP-HKBOAZHASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cccnc3C)CC[C@@H]2C1 ZINC001087998230 825076441 /nfs/dbraw/zinc/07/64/41/825076441.db2.gz YCLSCUUBOXJLHP-HKBOAZHASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cccnc3C)CC[C@@H]2C1 ZINC001087998230 825076450 /nfs/dbraw/zinc/07/64/50/825076450.db2.gz YCLSCUUBOXJLHP-HKBOAZHASA-N 2 1 366.509 1.768 20 30 FDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000526055502 828819942 /nfs/dbraw/zinc/81/99/42/828819942.db2.gz PRVBGXWDUFZCFD-IXDOHACOSA-N 2 1 362.518 1.759 20 30 FDEDMP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000526055502 828819947 /nfs/dbraw/zinc/81/99/47/828819947.db2.gz PRVBGXWDUFZCFD-IXDOHACOSA-N 2 1 362.518 1.759 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)no4)CC[C@@H]3C2)CC1 ZINC001088212217 827493575 /nfs/dbraw/zinc/49/35/75/827493575.db2.gz WBMRFVMXSBGWPU-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CCN(C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12)C1CC[NH+](C)CC1 ZINC000925168447 828304304 /nfs/dbraw/zinc/30/43/04/828304304.db2.gz BBUKZURJUBUZLB-DLBZAZTESA-N 2 1 350.532 1.305 20 30 FDEDMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000528483355 829429796 /nfs/dbraw/zinc/42/97/96/829429796.db2.gz CTKQFUZNZROMOW-QGZVFWFLSA-N 2 1 368.437 1.524 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)CC1 ZINC000528778761 829558980 /nfs/dbraw/zinc/55/89/80/829558980.db2.gz MTTOSCLKAJFHDU-UHFFFAOYSA-N 2 1 356.470 1.318 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105641871 842307085 /nfs/dbraw/zinc/30/70/85/842307085.db2.gz FJMOTEDJLSBQGO-WOCWXWTJSA-N 2 1 351.535 1.869 20 30 FDEDMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076242369 847664703 /nfs/dbraw/zinc/66/47/03/847664703.db2.gz BHENPRVURRZDSX-SESVDKBCSA-N 2 1 351.494 1.913 20 30 FDEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076242369 847664709 /nfs/dbraw/zinc/66/47/09/847664709.db2.gz BHENPRVURRZDSX-SESVDKBCSA-N 2 1 351.494 1.913 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076242369 847664712 /nfs/dbraw/zinc/66/47/12/847664712.db2.gz BHENPRVURRZDSX-SESVDKBCSA-N 2 1 351.494 1.913 20 30 FDEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076242369 847664718 /nfs/dbraw/zinc/66/47/18/847664718.db2.gz BHENPRVURRZDSX-SESVDKBCSA-N 2 1 351.494 1.913 20 30 FDEDMP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076457429 848180091 /nfs/dbraw/zinc/18/00/91/848180091.db2.gz CTOJLGACIPOQQN-QHAWAJNXSA-N 2 1 351.494 1.913 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076457429 848180096 /nfs/dbraw/zinc/18/00/96/848180096.db2.gz CTOJLGACIPOQQN-QHAWAJNXSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076457429 848180103 /nfs/dbraw/zinc/18/01/03/848180103.db2.gz CTOJLGACIPOQQN-QHAWAJNXSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)C1 ZINC001076457429 848180110 /nfs/dbraw/zinc/18/01/10/848180110.db2.gz CTOJLGACIPOQQN-QHAWAJNXSA-N 2 1 351.494 1.913 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)CC1 ZINC000905093671 851676889 /nfs/dbraw/zinc/67/68/89/851676889.db2.gz AHKOEGMIYOASGI-IPCDKGFNSA-N 2 1 368.518 1.462 20 30 FDEDMP C=C(CC[NH+](C)C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000908144556 855091125 /nfs/dbraw/zinc/09/11/25/855091125.db2.gz ICGFRUOXYUMMCY-OAQYLSRUSA-N 2 1 370.541 1.913 20 30 FDEDMP C#CCN(C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)C1CC[NH+](C)CC1 ZINC000914289298 872173254 /nfs/dbraw/zinc/17/32/54/872173254.db2.gz JHKFWCPMPOPYAN-UHFFFAOYSA-N 2 1 366.469 1.815 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071600 885693159 /nfs/dbraw/zinc/69/31/59/885693159.db2.gz FUKZTGZVWZBFCR-KURKYZTESA-N 2 1 364.538 1.930 20 30 FDEDMP C#CC[NH+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000995267918 897652668 /nfs/dbraw/zinc/65/26/68/897652668.db2.gz QNEUIMJQDJZJNR-YZGWKJHDSA-N 2 1 354.498 1.706 20 30 FDEDMP C#CC[N@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995267918 897652676 /nfs/dbraw/zinc/65/26/76/897652676.db2.gz QNEUIMJQDJZJNR-YZGWKJHDSA-N 2 1 354.498 1.706 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000995267918 897652685 /nfs/dbraw/zinc/65/26/85/897652685.db2.gz QNEUIMJQDJZJNR-YZGWKJHDSA-N 2 1 354.498 1.706 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)O1 ZINC000996713249 904920099 /nfs/dbraw/zinc/92/00/99/904920099.db2.gz RGYHYSHWYHGMFA-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccccc3C#N)CC2)O1 ZINC000996713249 904920110 /nfs/dbraw/zinc/92/01/10/904920110.db2.gz RGYHYSHWYHGMFA-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377305 905282907 /nfs/dbraw/zinc/28/29/07/905282907.db2.gz KPJABXTZQFKKSO-AUUYWEPGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377305 905282922 /nfs/dbraw/zinc/28/29/22/905282922.db2.gz KPJABXTZQFKKSO-AUUYWEPGSA-N 2 1 358.461 1.976 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](OC)C1 ZINC001081932410 905373262 /nfs/dbraw/zinc/37/32/62/905373262.db2.gz CVDQVAKJOMBHKF-QZTJIDSGSA-N 2 1 355.442 1.663 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cc1C#N ZINC001080441659 905442526 /nfs/dbraw/zinc/44/25/26/905442526.db2.gz USCYOTKLKOJMTQ-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC[C@@H]3C)C2)cc1C#N ZINC001080441659 905442535 /nfs/dbraw/zinc/44/25/35/905442535.db2.gz USCYOTKLKOJMTQ-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)C2)cc1C#N ZINC001080441659 905442538 /nfs/dbraw/zinc/44/25/38/905442538.db2.gz USCYOTKLKOJMTQ-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)C2)cc1C#N ZINC001080441659 905442544 /nfs/dbraw/zinc/44/25/44/905442544.db2.gz USCYOTKLKOJMTQ-JTDSTZFVSA-N 2 1 370.497 1.988 20 30 FDEDMP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082448 911947377 /nfs/dbraw/zinc/94/73/77/911947377.db2.gz XZCBNKYRKUGZMO-YZGWKJHDSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082448 911947379 /nfs/dbraw/zinc/94/73/79/911947379.db2.gz XZCBNKYRKUGZMO-YZGWKJHDSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082448 911947384 /nfs/dbraw/zinc/94/73/84/911947384.db2.gz XZCBNKYRKUGZMO-YZGWKJHDSA-N 2 1 359.514 1.576 20 30 FDEDMP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082448 911947392 /nfs/dbraw/zinc/94/73/92/911947392.db2.gz XZCBNKYRKUGZMO-YZGWKJHDSA-N 2 1 359.514 1.576 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084775734 917001496 /nfs/dbraw/zinc/00/14/96/917001496.db2.gz RZIIULOEWZOENB-VAMGGRTRSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084775734 917001501 /nfs/dbraw/zinc/00/15/01/917001501.db2.gz RZIIULOEWZOENB-VAMGGRTRSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001084775734 917001507 /nfs/dbraw/zinc/00/15/07/917001507.db2.gz RZIIULOEWZOENB-VAMGGRTRSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4oc(C)nc4C)C[C@H]32)CC1 ZINC001084850968 917656623 /nfs/dbraw/zinc/65/66/23/917656623.db2.gz GTZDFEXGCDTRQK-RTBURBONSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4oc(C)nc4C)C[C@H]32)CC1 ZINC001084850968 917656627 /nfs/dbraw/zinc/65/66/27/917656627.db2.gz GTZDFEXGCDTRQK-RTBURBONSA-N 2 1 370.497 1.669 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092667 920805164 /nfs/dbraw/zinc/80/51/64/920805164.db2.gz LCLIXBXRCSBDNT-UXPWSPDFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092667 920805175 /nfs/dbraw/zinc/80/51/75/920805175.db2.gz LCLIXBXRCSBDNT-UXPWSPDFSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092667 920805187 /nfs/dbraw/zinc/80/51/87/920805187.db2.gz LCLIXBXRCSBDNT-UXPWSPDFSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC001085230383 922988567 /nfs/dbraw/zinc/98/85/67/922988567.db2.gz SZEQNZVZARAPSB-KURKYZTESA-N 2 1 360.527 1.800 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccns1 ZINC001085230383 922988573 /nfs/dbraw/zinc/98/85/73/922988573.db2.gz SZEQNZVZARAPSB-KURKYZTESA-N 2 1 360.527 1.800 20 30 FDEDMP C[NH+](C)CC1CC[NH+](CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 ZINC000738077356 925090214 /nfs/dbraw/zinc/09/02/14/925090214.db2.gz SXFXKFIPYXGGEC-UHFFFAOYSA-N 2 1 369.469 1.554 20 30 FDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231598 925713467 /nfs/dbraw/zinc/71/34/67/925713467.db2.gz YCPMUVPSJGAGIN-URVUXULASA-N 2 1 369.509 1.562 20 30 FDEDMP C#CCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231598 925713472 /nfs/dbraw/zinc/71/34/72/925713472.db2.gz YCPMUVPSJGAGIN-URVUXULASA-N 2 1 369.509 1.562 20 30 FDEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231598 925713478 /nfs/dbraw/zinc/71/34/78/925713478.db2.gz YCPMUVPSJGAGIN-URVUXULASA-N 2 1 369.509 1.562 20 30 FDEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231598 925713481 /nfs/dbraw/zinc/71/34/81/925713481.db2.gz YCPMUVPSJGAGIN-URVUXULASA-N 2 1 369.509 1.562 20 30 FDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@H]2CC[C@@H](C(=O)OCC)OC2)CC1 ZINC001169418739 928569534 /nfs/dbraw/zinc/56/95/34/928569534.db2.gz OQAQZPDDBLLCKG-OALUTQOASA-N 2 1 365.518 1.389 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733521 930271086 /nfs/dbraw/zinc/27/10/86/930271086.db2.gz SOEGEILVTUCFMZ-OWSLCNJRSA-N 2 1 364.534 1.473 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001109733521 930271095 /nfs/dbraw/zinc/27/10/95/930271095.db2.gz SOEGEILVTUCFMZ-OWSLCNJRSA-N 2 1 364.534 1.473 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567873 931646399 /nfs/dbraw/zinc/64/63/99/931646399.db2.gz MCZPONDKSBKJCE-ZWOKBUDYSA-N 2 1 364.534 1.237 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586351 931773468 /nfs/dbraw/zinc/77/34/68/931773468.db2.gz VKYCLFJTUAUJAO-UWVAXJGDSA-N 2 1 364.534 1.236 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130605204 939916748 /nfs/dbraw/zinc/91/67/48/939916748.db2.gz YXGACQGQDIVBCQ-UHOSZYNNSA-N 2 1 357.502 1.202 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001130607509 939918983 /nfs/dbraw/zinc/91/89/83/939918983.db2.gz FNSWADAINUXUGR-CGTJXYLNSA-N 2 1 368.485 1.654 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672566 939971965 /nfs/dbraw/zinc/97/19/65/939971965.db2.gz SZESRZJMHGVWBA-ZIFCJYIRSA-N 2 1 359.518 1.612 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687833 939977896 /nfs/dbraw/zinc/97/78/96/939977896.db2.gz SOOVTLKVOSZFHV-FUHWJXTLSA-N 2 1 368.485 1.348 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988699 940410704 /nfs/dbraw/zinc/41/07/04/940410704.db2.gz KCDJJQCUKFUBQB-KURKYZTESA-N 2 1 359.518 1.753 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131089787 940495006 /nfs/dbraw/zinc/49/50/06/940495006.db2.gz ZTIDTRVMQZCSQJ-QZTJIDSGSA-N 2 1 370.501 1.866 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001131517374 940684262 /nfs/dbraw/zinc/68/42/62/940684262.db2.gz NDUXAZSPPMQSFK-GGPKGHCWSA-N 2 1 370.497 1.770 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC001086720758 941619485 /nfs/dbraw/zinc/61/94/85/941619485.db2.gz MPPMFZIUCLWSOX-SXLOBPIMSA-N 2 1 354.498 1.862 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(C)c2)C1 ZINC001086720758 941619488 /nfs/dbraw/zinc/61/94/88/941619488.db2.gz MPPMFZIUCLWSOX-SXLOBPIMSA-N 2 1 354.498 1.862 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2oc(C)nc2C)C1 ZINC001086720612 941625344 /nfs/dbraw/zinc/62/53/44/941625344.db2.gz FYPGUXAINKKFKM-KSZLIROESA-N 2 1 358.486 1.764 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2oc(C)nc2C)C1 ZINC001086720612 941625347 /nfs/dbraw/zinc/62/53/47/941625347.db2.gz FYPGUXAINKKFKM-KSZLIROESA-N 2 1 358.486 1.764 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819334339 943531092 /nfs/dbraw/zinc/53/10/92/943531092.db2.gz GWRLQQMQOKVSTF-IBGZPJMESA-N 2 1 353.507 1.683 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 ZINC000819334339 943531096 /nfs/dbraw/zinc/53/10/96/943531096.db2.gz GWRLQQMQOKVSTF-IBGZPJMESA-N 2 1 353.507 1.683 20 30 FDEDMP CN(CCC#N)C[C@H](O)CNc1cccc2c1CC[N@@H+](CC(C)(C)O)C2 ZINC000819468849 943604127 /nfs/dbraw/zinc/60/41/27/943604127.db2.gz WCPXXPNUYZWVJC-QGZVFWFLSA-N 2 1 360.502 1.434 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1 ZINC001171075332 947031024 /nfs/dbraw/zinc/03/10/24/947031024.db2.gz VBHKIKOCPDPWQB-ZBFHGGJFSA-N 2 1 372.473 1.445 20 30 FDEDMP N#Cc1cccc(C[NH+]2CCC(NC(=O)CC[NH+]3CCOCC3)CC2)c1 ZINC000846611528 951373572 /nfs/dbraw/zinc/37/35/72/951373572.db2.gz BSYMDFDUAPAVNK-UHFFFAOYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690691 952663571 /nfs/dbraw/zinc/66/35/71/952663571.db2.gz LGVOHLJWHSSVSD-ZTNFWEORSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[N@@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690691 952663576 /nfs/dbraw/zinc/66/35/76/952663576.db2.gz LGVOHLJWHSSVSD-ZTNFWEORSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690691 952663577 /nfs/dbraw/zinc/66/35/77/952663577.db2.gz LGVOHLJWHSSVSD-ZTNFWEORSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690691 952663581 /nfs/dbraw/zinc/66/35/81/952663581.db2.gz LGVOHLJWHSSVSD-ZTNFWEORSA-N 2 1 355.486 1.594 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738220 952767029 /nfs/dbraw/zinc/76/70/29/952767029.db2.gz XPDIJBQCJHVVQC-HBFSDRIKSA-N 2 1 359.518 1.560 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738220 952767032 /nfs/dbraw/zinc/76/70/32/952767032.db2.gz XPDIJBQCJHVVQC-HBFSDRIKSA-N 2 1 359.518 1.560 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cncs3)C[C@@]2(C)C1 ZINC001091749293 952788667 /nfs/dbraw/zinc/78/86/67/952788667.db2.gz ICZSJQZCUWTNRL-AYBZRNKSSA-N 2 1 358.511 1.521 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cncs3)C[C@@]2(C)C1 ZINC001091749293 952788670 /nfs/dbraw/zinc/78/86/70/952788670.db2.gz ICZSJQZCUWTNRL-AYBZRNKSSA-N 2 1 358.511 1.521 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cncs3)C[C@@]2(C)C1 ZINC001091749293 952788675 /nfs/dbraw/zinc/78/86/75/952788675.db2.gz ICZSJQZCUWTNRL-AYBZRNKSSA-N 2 1 358.511 1.521 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cncs3)C[C@@]2(C)C1 ZINC001091749293 952788679 /nfs/dbraw/zinc/78/86/79/952788679.db2.gz ICZSJQZCUWTNRL-AYBZRNKSSA-N 2 1 358.511 1.521 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3oc(C)nc3C)C[C@@]2(C)C1 ZINC001091748813 952795253 /nfs/dbraw/zinc/79/52/53/952795253.db2.gz WQVMDXVEMRXBLD-LQWHRVPQSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3oc(C)nc3C)C[C@@]2(C)C1 ZINC001091748813 952795257 /nfs/dbraw/zinc/79/52/57/952795257.db2.gz WQVMDXVEMRXBLD-LQWHRVPQSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3oc(C)nc3C)C[C@@]2(C)C1 ZINC001091748813 952795260 /nfs/dbraw/zinc/79/52/60/952795260.db2.gz WQVMDXVEMRXBLD-LQWHRVPQSA-N 2 1 370.497 1.669 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3oc(C)nc3C)C[C@@]2(C)C1 ZINC001091748813 952795263 /nfs/dbraw/zinc/79/52/63/952795263.db2.gz WQVMDXVEMRXBLD-LQWHRVPQSA-N 2 1 370.497 1.669 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086982242 952994918 /nfs/dbraw/zinc/99/49/18/952994918.db2.gz AOBDLSREBQQYOD-RCCFBDPRSA-N 2 1 368.485 1.654 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cnn(C)c1 ZINC001086985936 953004551 /nfs/dbraw/zinc/00/45/51/953004551.db2.gz MBHFKDCEOBADSC-IPMKNSEASA-N 2 1 357.502 1.058 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000913 953053104 /nfs/dbraw/zinc/05/31/04/953053104.db2.gz VCMRVKKKPDUJFO-IPMKNSEASA-N 2 1 357.502 1.200 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011101 953102955 /nfs/dbraw/zinc/10/29/55/953102955.db2.gz FRUYNASLEXGZMM-ZCNNSNEGSA-N 2 1 367.497 1.793 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196804418 971922440 /nfs/dbraw/zinc/92/24/40/971922440.db2.gz XLBBLFIUCLBUOE-QZTJIDSGSA-N 2 1 365.522 1.190 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)C1 ZINC001092274034 954660460 /nfs/dbraw/zinc/66/04/60/954660460.db2.gz ZFPDFVUBKJNWSE-CLCXKQKWSA-N 2 1 358.511 1.852 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)C1 ZINC001092274034 954660467 /nfs/dbraw/zinc/66/04/67/954660467.db2.gz ZFPDFVUBKJNWSE-CLCXKQKWSA-N 2 1 358.511 1.852 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@@]3(C)C2)C1 ZINC001092274034 954660476 /nfs/dbraw/zinc/66/04/76/954660476.db2.gz ZFPDFVUBKJNWSE-CLCXKQKWSA-N 2 1 358.511 1.852 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cc(C)no3)C[C@H]2C)CC1 ZINC001093223152 957851490 /nfs/dbraw/zinc/85/14/90/957851490.db2.gz UWJUCUSWYHGBNH-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2C)CC1 ZINC001093223403 957851614 /nfs/dbraw/zinc/85/16/14/957851614.db2.gz YDLDRPZOHYXITL-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ncc(C)o3)C[C@H]2C)CC1 ZINC001093223403 957851623 /nfs/dbraw/zinc/85/16/23/957851623.db2.gz YDLDRPZOHYXITL-CRAIPNDOSA-N 2 1 358.486 1.512 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2c(C)noc2C)[C@H](C)C1 ZINC001093830508 958919648 /nfs/dbraw/zinc/91/96/48/958919648.db2.gz DPRSMVOTMNYWJT-BJZITVGISA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2c(C)noc2C)[C@H](C)C1 ZINC001093830508 958919652 /nfs/dbraw/zinc/91/96/52/958919652.db2.gz DPRSMVOTMNYWJT-BJZITVGISA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)nc2)[C@H](C)C1 ZINC001093833014 958927239 /nfs/dbraw/zinc/92/72/39/958927239.db2.gz MXFYRELXHUXGJN-LZQZEXGQSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)nc2)[C@H](C)C1 ZINC001093833014 958927243 /nfs/dbraw/zinc/92/72/43/958927243.db2.gz MXFYRELXHUXGJN-LZQZEXGQSA-N 2 1 355.486 1.067 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1 ZINC001094233973 960143539 /nfs/dbraw/zinc/14/35/39/960143539.db2.gz BPDLDOKBVCWNDF-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1 ZINC001094233973 960143547 /nfs/dbraw/zinc/14/35/47/960143547.db2.gz BPDLDOKBVCWNDF-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP C=C(C[NH+]1CCCC1)C(=O)N1CCN(c2cc[nH+]c(N3CCCC3)n2)CC1 ZINC001183044108 962758443 /nfs/dbraw/zinc/75/84/43/962758443.db2.gz CUCWNGVSQZQPPF-UHFFFAOYSA-N 2 1 370.501 1.377 20 30 FDEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@@]1(C(=O)OC)CC[N@@H+](Cc2ccccc2)C1 ZINC001183085908 962783739 /nfs/dbraw/zinc/78/37/39/962783739.db2.gz MTFOEKMWDQFLHM-NRFANRHFSA-N 2 1 371.481 1.572 20 30 FDEDMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)c1cc(Cl)c(C#N)c(Cl)n1 ZINC001184819054 963725366 /nfs/dbraw/zinc/72/53/66/963725366.db2.gz NOSPWTPLHYCWLF-UHFFFAOYSA-N 2 1 357.245 1.938 20 30 FDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC12CCOCC2 ZINC001186381966 964486881 /nfs/dbraw/zinc/48/68/81/964486881.db2.gz MUVYYZDRXXPHJK-CEXWTWQISA-N 2 1 361.530 1.585 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568290 966399802 /nfs/dbraw/zinc/39/98/02/966399802.db2.gz JEHZGPKFJZHLMF-QFBILLFUSA-N 2 1 358.486 1.497 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)Cn3c[nH+]c4c3CCCC4)[C@@H]2C1 ZINC001188568290 966399814 /nfs/dbraw/zinc/39/98/14/966399814.db2.gz JEHZGPKFJZHLMF-QFBILLFUSA-N 2 1 358.486 1.497 20 30 FDEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454940 975055496 /nfs/dbraw/zinc/05/54/96/975055496.db2.gz VQIOANMNCGYSEG-ZCNNSNEGSA-N 2 1 355.482 1.172 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000851662229 978988600 /nfs/dbraw/zinc/98/86/00/978988600.db2.gz TVZWGJPRMDHCKK-OALUTQOASA-N 2 1 358.486 1.395 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884063713 982798537 /nfs/dbraw/zinc/79/85/37/982798537.db2.gz JHAADWNMSJSZFJ-LJQANCHMSA-N 2 1 355.486 1.443 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH+](CCc3cccs3)CC1)C2 ZINC000884192158 982967906 /nfs/dbraw/zinc/96/79/06/982967906.db2.gz XJHSBFJSPNHCCI-WUJZJPHMSA-N 2 1 358.511 1.574 20 30 FDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+]1CCc2sccc2C1 ZINC000884193778 982969721 /nfs/dbraw/zinc/96/97/21/982969721.db2.gz OYMXQCGGXBFHQU-DOHUUOFWSA-N 2 1 358.511 1.750 20 30 FDEDMP C[C@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1CCc2sccc2C1 ZINC000884193778 982969725 /nfs/dbraw/zinc/96/97/25/982969725.db2.gz OYMXQCGGXBFHQU-DOHUUOFWSA-N 2 1 358.511 1.750 20 30 FDEDMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884406165 983140995 /nfs/dbraw/zinc/14/09/95/983140995.db2.gz NHWZIDQIKCQLRL-KBNVZVJVSA-N 2 1 366.509 1.901 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](C3CCOCC3)CC2)CC1 ZINC000369524919 989058496 /nfs/dbraw/zinc/05/84/96/989058496.db2.gz IPKFHIHCYLXCAK-UHFFFAOYSA-N 2 1 364.534 1.923 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000369756836 989148876 /nfs/dbraw/zinc/14/88/76/989148876.db2.gz IEFUIWCHCBOWSO-OAQYLSRUSA-N 2 1 369.509 1.788 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000363398645 989164249 /nfs/dbraw/zinc/16/42/49/989164249.db2.gz MQNBVCRZAGFOMY-IBGZPJMESA-N 2 1 354.498 1.755 20 30 FDEDMP C=CC[N@H+](C[C@@H](O)CN1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000363512527 989259236 /nfs/dbraw/zinc/25/92/36/989259236.db2.gz VPAIHYWXIFFPGQ-RTWAWAEBSA-N 2 1 359.514 1.442 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000363706416 989401531 /nfs/dbraw/zinc/40/15/31/989401531.db2.gz NEIGDAAHXOYMOY-UXPWSPDFSA-N 2 1 370.497 1.653 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000363706416 989401537 /nfs/dbraw/zinc/40/15/37/989401537.db2.gz NEIGDAAHXOYMOY-UXPWSPDFSA-N 2 1 370.497 1.653 20 30 FDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C1 ZINC000372605609 991263421 /nfs/dbraw/zinc/26/34/21/991263421.db2.gz IWTXFHQVMPVKKI-GOSISDBHSA-N 2 1 355.486 1.599 20 30 FDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)C1 ZINC000372605609 991263427 /nfs/dbraw/zinc/26/34/27/991263427.db2.gz IWTXFHQVMPVKKI-GOSISDBHSA-N 2 1 355.486 1.599 20 30 FDEDMP C[N@H+](CCc1cccc(C#N)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000877704916 993457830 /nfs/dbraw/zinc/45/78/30/993457830.db2.gz XJAATCNBJFQYJE-UHFFFAOYSA-N 2 1 350.470 1.775 20 30 FDEDMP C[N@@H+](CCc1cccc(C#N)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000877704916 993457848 /nfs/dbraw/zinc/45/78/48/993457848.db2.gz XJAATCNBJFQYJE-UHFFFAOYSA-N 2 1 350.470 1.775 20 30 FDEDMP CC(C)C(=O)Nc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264070909 997395837 /nfs/dbraw/zinc/39/58/37/997395837.db2.gz GCXABLVLAXZLCR-UHFFFAOYSA-N 2 1 361.490 1.408 20 30 FDEDMP CCCCNC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264112583 997404312 /nfs/dbraw/zinc/40/43/12/997404312.db2.gz RKDLITLDEOEJGP-UHFFFAOYSA-N 2 1 361.490 1.552 20 30 FDEDMP [NH2+]=C(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)NC1CCCC1 ZINC000264130768 997408782 /nfs/dbraw/zinc/40/87/82/997408782.db2.gz YACCRZDCSWZEGZ-UHFFFAOYSA-N 2 1 373.501 1.694 20 30 FDEDMP COc1ccccc1CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000264329911 997463836 /nfs/dbraw/zinc/46/38/36/997463836.db2.gz ZSEBPYBPHHLLSL-MRXNPFEDSA-N 2 1 361.490 1.042 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCN1C(=O)c2ccccc2C1=O ZINC000267439775 999336025 /nfs/dbraw/zinc/33/60/25/999336025.db2.gz OWNQQDODSSJPBQ-HNNXBMFYSA-N 2 1 371.485 1.451 20 30 FDEDMP CN(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1c(F)cccc1F ZINC000267459768 999341915 /nfs/dbraw/zinc/34/19/15/999341915.db2.gz UPZGVZHUXSJTTN-INIZCTEOSA-N 2 1 369.460 1.194 20 30 FDEDMP C[NH+]1CCC([C@H]2CC[N@H+]([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)C2)CC1 ZINC000270032255 999502494 /nfs/dbraw/zinc/50/24/94/999502494.db2.gz DRAWZFAQYIRRPA-HKUYNNGSSA-N 2 1 366.465 1.854 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccn(Cc2ccccc2)n1 ZINC000284182716 999778916 /nfs/dbraw/zinc/77/89/16/999778916.db2.gz XSLKMQNJPTUIIQ-UHFFFAOYSA-N 2 1 356.474 1.058 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(COC)OCCc2ccccc21 ZINC000290691931 1000153516 /nfs/dbraw/zinc/15/35/16/1000153516.db2.gz RETHJARLCRZXTB-PXNSSMCTSA-N 2 1 360.502 1.490 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[N@@H+]1C ZINC000959970037 1009231038 /nfs/dbraw/zinc/23/10/38/1009231038.db2.gz YXPDWAGPCSOKSV-WRTQPQOASA-N 2 1 369.484 1.954 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[N@H+]1C ZINC000959970037 1009231045 /nfs/dbraw/zinc/23/10/45/1009231045.db2.gz YXPDWAGPCSOKSV-WRTQPQOASA-N 2 1 369.484 1.954 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[NH+]1C ZINC000959970037 1009231050 /nfs/dbraw/zinc/23/10/50/1009231050.db2.gz YXPDWAGPCSOKSV-WRTQPQOASA-N 2 1 369.484 1.954 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[NH+]1C ZINC000959970037 1009231056 /nfs/dbraw/zinc/23/10/56/1009231056.db2.gz YXPDWAGPCSOKSV-WRTQPQOASA-N 2 1 369.484 1.954 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[N@@H+]1C ZINC000959978167 1009244889 /nfs/dbraw/zinc/24/48/89/1009244889.db2.gz ZEFDGXUGWQVBEU-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[N@H+]1C ZINC000959978167 1009244898 /nfs/dbraw/zinc/24/48/98/1009244898.db2.gz ZEFDGXUGWQVBEU-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[NH+]1C ZINC000959978167 1009244911 /nfs/dbraw/zinc/24/49/11/1009244911.db2.gz ZEFDGXUGWQVBEU-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[NH+]1C ZINC000959978167 1009244921 /nfs/dbraw/zinc/24/49/21/1009244921.db2.gz ZEFDGXUGWQVBEU-FZWVUDROSA-N 2 1 356.445 1.584 20 30 FDEDMP C[C@H](CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1)C[NH+]1CCOCC1 ZINC000304737409 1010476260 /nfs/dbraw/zinc/47/62/60/1010476260.db2.gz AKRXARUIQWJRQI-MRXNPFEDSA-N 2 1 363.481 1.231 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccn(-c2ccc(F)cc2)n1 ZINC000304771496 1010489277 /nfs/dbraw/zinc/48/92/77/1010489277.db2.gz AELRDUNWEHPDRX-SFHVURJKSA-N 2 1 358.465 1.943 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000538950039 540913154 /nfs/dbraw/zinc/91/31/54/540913154.db2.gz SHBUQACSDZOSNX-UHFFFAOYSA-N 2 1 350.507 1.832 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC000553326671 543609909 /nfs/dbraw/zinc/60/99/09/543609909.db2.gz BIOPKOLLJVXTFO-JKSUJKDBSA-N 2 1 350.507 1.084 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CC1 ZINC000553395542 543625816 /nfs/dbraw/zinc/62/58/16/543625816.db2.gz KWTINMJSALPUKM-KRWDZBQOSA-N 2 1 364.534 1.333 20 30 FDEDMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000331379041 259190687 /nfs/dbraw/zinc/19/06/87/259190687.db2.gz FRDXQRRDIPJRNH-PXNSSMCTSA-N 2 1 369.513 1.845 20 30 FDEDMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333833887 259385272 /nfs/dbraw/zinc/38/52/72/259385272.db2.gz MZALSWPTDIAKLJ-LPHOPBHVSA-N 2 1 355.486 1.774 20 30 FDEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378290701 262001972 /nfs/dbraw/zinc/00/19/72/262001972.db2.gz HEFZCTGPTBQKKK-HXUWFJFHSA-N 2 1 369.513 1.987 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000066922004 523267092 /nfs/dbraw/zinc/26/70/92/523267092.db2.gz SIMGWKWXKQZBJD-IBGZPJMESA-N 2 1 368.481 1.420 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000066922004 523267101 /nfs/dbraw/zinc/26/71/01/523267101.db2.gz SIMGWKWXKQZBJD-IBGZPJMESA-N 2 1 368.481 1.420 20 30 FDEDMP N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000157621996 524308632 /nfs/dbraw/zinc/30/86/32/524308632.db2.gz GZUOPQZNTIRTDI-LJQANCHMSA-N 2 1 352.438 1.710 20 30 FDEDMP COc1ccc(NC(=[NH2+])NC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000104167703 525397060 /nfs/dbraw/zinc/39/70/60/525397060.db2.gz HTSDJQRVJYDDBO-SFHVURJKSA-N 2 1 354.454 1.841 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000171707951 526087607 /nfs/dbraw/zinc/08/76/07/526087607.db2.gz VHJJFWTXZMWHQO-SFHVURJKSA-N 2 1 351.539 1.208 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000171740638 526103573 /nfs/dbraw/zinc/10/35/73/526103573.db2.gz ZYFXNZFOCRSMKS-UHFFFAOYSA-N 2 1 351.539 1.304 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000171740638 526103578 /nfs/dbraw/zinc/10/35/78/526103578.db2.gz ZYFXNZFOCRSMKS-UHFFFAOYSA-N 2 1 351.539 1.304 20 30 FDEDMP COc1ccc(OC)c(CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000134221804 526136975 /nfs/dbraw/zinc/13/69/75/526136975.db2.gz WCGMZFSXTKKMRV-UHFFFAOYSA-N 2 1 364.490 1.263 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC(C)(C)CCN2CC[NH+](C)CC2)CC1 ZINC000185360942 536206459 /nfs/dbraw/zinc/20/64/59/536206459.db2.gz DSWRWJBFUZFJHW-UHFFFAOYSA-N 2 1 351.539 1.352 20 30 FDEDMP COCC[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000263801690 537104036 /nfs/dbraw/zinc/10/40/36/537104036.db2.gz VZSXCCXPRGCEHI-UHFFFAOYSA-N 2 1 361.490 1.210 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248941762 537221855 /nfs/dbraw/zinc/22/18/55/537221855.db2.gz CUSFYTJTQOHYQC-MNZLEMJZSA-N 2 1 358.486 1.744 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248941762 537221857 /nfs/dbraw/zinc/22/18/57/537221857.db2.gz CUSFYTJTQOHYQC-MNZLEMJZSA-N 2 1 358.486 1.744 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422292642 538216030 /nfs/dbraw/zinc/21/60/30/538216030.db2.gz HMZTTWPRCJSZOD-QGZVFWFLSA-N 2 1 350.507 1.084 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424150827 538245202 /nfs/dbraw/zinc/24/52/02/538245202.db2.gz ZOSLDZARAPJQPV-YJBOKZPZSA-N 2 1 360.458 1.415 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424150827 538245214 /nfs/dbraw/zinc/24/52/14/538245214.db2.gz ZOSLDZARAPJQPV-YJBOKZPZSA-N 2 1 360.458 1.415 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CCCC1 ZINC000498842153 538858111 /nfs/dbraw/zinc/85/81/11/538858111.db2.gz DMEDEFYJPJOGIZ-KRWDZBQOSA-N 2 1 370.563 1.748 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CCCC1 ZINC000498842153 538858118 /nfs/dbraw/zinc/85/81/18/538858118.db2.gz DMEDEFYJPJOGIZ-KRWDZBQOSA-N 2 1 370.563 1.748 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000580791160 551018942 /nfs/dbraw/zinc/01/89/42/551018942.db2.gz WDZHWISSMNEENI-QGZVFWFLSA-N 2 1 350.507 1.134 20 30 FDEDMP C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000582659282 551252763 /nfs/dbraw/zinc/25/27/63/551252763.db2.gz GWDMQWRNIDLEST-UHFFFAOYSA-N 2 1 368.485 1.760 20 30 FDEDMP C[N@@H+](CCCc1[nH]nc(N)c1C#N)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000582659282 551252765 /nfs/dbraw/zinc/25/27/65/551252765.db2.gz GWDMQWRNIDLEST-UHFFFAOYSA-N 2 1 368.485 1.760 20 30 FDEDMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000583434152 551351079 /nfs/dbraw/zinc/35/10/79/551351079.db2.gz HEYIGUYRMMJRDF-HXUWFJFHSA-N 2 1 360.502 1.005 20 30 FDEDMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000583434152 551351081 /nfs/dbraw/zinc/35/10/81/551351081.db2.gz HEYIGUYRMMJRDF-HXUWFJFHSA-N 2 1 360.502 1.005 20 30 FDEDMP COCC[NH+](C)C[C@@H](O)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000583434152 551351082 /nfs/dbraw/zinc/35/10/82/551351082.db2.gz HEYIGUYRMMJRDF-HXUWFJFHSA-N 2 1 360.502 1.005 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000594450044 552312736 /nfs/dbraw/zinc/31/27/36/552312736.db2.gz RJHMSKOSHCYKIW-QGZVFWFLSA-N 2 1 372.517 1.994 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(C#N)CCOCC1 ZINC000597053664 552740272 /nfs/dbraw/zinc/74/02/72/552740272.db2.gz RTSUWPBRGZAQII-QGZVFWFLSA-N 2 1 350.507 1.571 20 30 FDEDMP CC(C)[C@@H](C#N)N1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602794112 553640295 /nfs/dbraw/zinc/64/02/95/553640295.db2.gz FNWIVHNFYCYSDK-RTWAWAEBSA-N 2 1 356.514 1.789 20 30 FDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNc2ccc(C#N)cc2)CC1 ZINC000608877915 554326839 /nfs/dbraw/zinc/32/68/39/554326839.db2.gz BVYHBTQKXCCPOQ-UHFFFAOYSA-N 2 1 350.426 1.756 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000249493196 672565592 /nfs/dbraw/zinc/56/55/92/672565592.db2.gz VQSHXZNPQQMORQ-HRCADAONSA-N 2 1 354.495 1.113 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000249493196 672565593 /nfs/dbraw/zinc/56/55/93/672565593.db2.gz VQSHXZNPQQMORQ-HRCADAONSA-N 2 1 354.495 1.113 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262411646 672785151 /nfs/dbraw/zinc/78/51/51/672785151.db2.gz PKACKYCRDJSBAT-NXOAAHMSSA-N 2 1 350.507 1.029 20 30 FDEDMP C[NH+](C)[C@@]1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCSC1 ZINC000262482165 672796857 /nfs/dbraw/zinc/79/68/57/672796857.db2.gz RTISOEZZBMFFIU-GOSISDBHSA-N 2 1 365.522 1.700 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262524222 672803133 /nfs/dbraw/zinc/80/31/33/672803133.db2.gz FYAGOUCDZHXHOM-HNNXBMFYSA-N 2 1 352.523 1.957 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)cc1OC ZINC000267470482 673307357 /nfs/dbraw/zinc/30/73/57/673307357.db2.gz XQVFYVXGISXETQ-CQSZACIVSA-N 2 1 350.463 1.076 20 30 FDEDMP CN(CCC[N@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O)CC[NH+](C)C ZINC000298701059 676489277 /nfs/dbraw/zinc/48/92/77/676489277.db2.gz ZXUUTWLHOZUPSK-MRXNPFEDSA-N 2 1 363.531 1.540 20 30 FDEDMP CN(CCC[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O)CC[NH+](C)C ZINC000298701059 676489278 /nfs/dbraw/zinc/48/92/78/676489278.db2.gz ZXUUTWLHOZUPSK-MRXNPFEDSA-N 2 1 363.531 1.540 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)N1CCOCC1 ZINC000303902169 676543626 /nfs/dbraw/zinc/54/36/26/676543626.db2.gz XRGBCCNHQBHYEB-UHFFFAOYSA-N 2 1 365.909 1.499 20 30 FDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303902433 676543704 /nfs/dbraw/zinc/54/37/04/676543704.db2.gz UAFBUBBCSWAEJV-HDICACEKSA-N 2 1 353.555 1.371 20 30 FDEDMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303902433 676543707 /nfs/dbraw/zinc/54/37/07/676543707.db2.gz UAFBUBBCSWAEJV-HDICACEKSA-N 3 1 353.555 1.371 20 30 FDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303902433 676543710 /nfs/dbraw/zinc/54/37/10/676543710.db2.gz UAFBUBBCSWAEJV-HDICACEKSA-N 3 1 353.555 1.371 20 30 FDEDMP COCC[N@@H+](C)CCCNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000303894483 676543760 /nfs/dbraw/zinc/54/37/60/676543760.db2.gz OWVAIMNAMNBCCE-UHFFFAOYSA-N 2 1 367.925 1.745 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000328183067 676598108 /nfs/dbraw/zinc/59/81/08/676598108.db2.gz NSSGHZPYZSCBGD-OAHLLOKOSA-N 2 1 355.276 1.734 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000328183067 676598110 /nfs/dbraw/zinc/59/81/10/676598110.db2.gz NSSGHZPYZSCBGD-OAHLLOKOSA-N 2 1 355.276 1.734 20 30 FDEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000329223902 676626542 /nfs/dbraw/zinc/62/65/42/676626542.db2.gz YTMHDQSKONNJEC-DQIHPLBOSA-N 2 1 350.507 1.899 20 30 FDEDMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329333706 676633678 /nfs/dbraw/zinc/63/36/78/676633678.db2.gz KKHDVYHATCTFFK-QGTPRVQTSA-N 2 1 350.507 1.518 20 30 FDEDMP CC1(C)C[N@H+](C2(CNC(=O)[C@H]([NH3+])CCCC#N)CCCCC2)CCO1 ZINC000424145113 680830890 /nfs/dbraw/zinc/83/08/90/680830890.db2.gz MUNIRKDGIOWLNG-MRXNPFEDSA-N 2 1 350.507 1.937 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(CC#N)CC1 ZINC000516683082 689981421 /nfs/dbraw/zinc/98/14/21/689981421.db2.gz YOXOVJZSBVSXIV-INIZCTEOSA-N 2 1 356.536 1.358 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(CC#N)CC1 ZINC000516683082 689981424 /nfs/dbraw/zinc/98/14/24/689981424.db2.gz YOXOVJZSBVSXIV-INIZCTEOSA-N 2 1 356.536 1.358 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193880 771226832 /nfs/dbraw/zinc/22/68/32/771226832.db2.gz LYSOLVOYWZDEIP-YTQUADARSA-N 2 1 358.486 1.632 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCn4c(C)[nH+]cc4C3)[C@H]2C1 ZINC001083193880 771226836 /nfs/dbraw/zinc/22/68/36/771226836.db2.gz LYSOLVOYWZDEIP-YTQUADARSA-N 2 1 358.486 1.632 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCOC)C1 ZINC001104306046 774438515 /nfs/dbraw/zinc/43/85/15/774438515.db2.gz IDXGVRPVUUBGTI-AQNXPRMDSA-N 2 1 363.546 1.975 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCCCOC)C1 ZINC001104306046 774438517 /nfs/dbraw/zinc/43/85/17/774438517.db2.gz IDXGVRPVUUBGTI-AQNXPRMDSA-N 2 1 363.546 1.975 20 30 FDEDMP Cc1nnc(CNC(=[NH+]C2CCCC2)N2CC[NH+](CC(C)C)CC2)n1C ZINC000261932464 777500392 /nfs/dbraw/zinc/50/03/92/777500392.db2.gz BQVCDSUREXAUPD-UHFFFAOYSA-N 2 1 361.538 1.785 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC000971561637 777631338 /nfs/dbraw/zinc/63/13/38/777631338.db2.gz YZLZCYDXGLBEBZ-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC000971561637 777631350 /nfs/dbraw/zinc/63/13/50/777631350.db2.gz YZLZCYDXGLBEBZ-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC000971561637 777631356 /nfs/dbraw/zinc/63/13/56/777631356.db2.gz YZLZCYDXGLBEBZ-IMFGXOCKSA-N 2 1 370.497 1.962 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067084 795129266 /nfs/dbraw/zinc/12/92/66/795129266.db2.gz LXGMNHUEJXZPRG-KURKYZTESA-N 2 1 364.534 1.237 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112123607 810446707 /nfs/dbraw/zinc/44/67/07/810446707.db2.gz ROECNYCTUOUUSK-ZIAGYGMSSA-N 2 1 365.440 1.898 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCN(Cc3cc(F)ccc3C#N)C2)CC[N@H+]1C ZINC001028549843 810619495 /nfs/dbraw/zinc/61/94/95/810619495.db2.gz BLAAGUOIOCMMSW-ZRGWGRIASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cc(F)ccc3C#N)C2)CC[N@@H+]1C ZINC001028549843 810619497 /nfs/dbraw/zinc/61/94/97/810619497.db2.gz BLAAGUOIOCMMSW-ZRGWGRIASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cc(F)ccc3C#N)C2)CC[N@H+]1C ZINC001028549843 810619498 /nfs/dbraw/zinc/61/94/98/810619498.db2.gz BLAAGUOIOCMMSW-ZRGWGRIASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)CC[NH+]1C ZINC001028549843 810619502 /nfs/dbraw/zinc/61/95/02/810619502.db2.gz BLAAGUOIOCMMSW-ZRGWGRIASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)CC[NH+]1C ZINC001028549843 810619507 /nfs/dbraw/zinc/61/95/07/810619507.db2.gz BLAAGUOIOCMMSW-ZRGWGRIASA-N 2 1 358.461 1.976 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1ccc(C#N)cc1 ZINC000505825321 816531920 /nfs/dbraw/zinc/53/19/20/816531920.db2.gz PBWLLWMGFCRMEK-GOSISDBHSA-N 2 1 358.486 1.812 20 30 FDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262347402 825606507 /nfs/dbraw/zinc/60/65/07/825606507.db2.gz AIZVIEAGVGVCQX-XMTFNYHQSA-N 2 1 366.550 1.712 20 30 FDEDMP N#Cc1ccc(CN2CCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000079460294 828956101 /nfs/dbraw/zinc/95/61/01/828956101.db2.gz FPRRJAZZIRCLQE-IBGZPJMESA-N 2 1 367.497 1.870 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@H](N2CC=CC2)C1 ZINC000262784031 831425304 /nfs/dbraw/zinc/42/53/04/831425304.db2.gz LVWANQQKPUNTOG-GOSISDBHSA-N 2 1 361.534 1.153 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N1CC[C@@H](COC)C1 ZINC000085154193 841398666 /nfs/dbraw/zinc/39/86/66/841398666.db2.gz PCRNMXBDBXJTQH-GOSISDBHSA-N 2 1 365.566 1.480 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642333 842305712 /nfs/dbraw/zinc/30/57/12/842305712.db2.gz IVFUSFYFDMNFIN-IKVWTGGYSA-N 2 1 363.546 1.706 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnc(C)nc4)C[C@H]32)CC1 ZINC001076604911 848554547 /nfs/dbraw/zinc/55/45/47/848554547.db2.gz XPELMLXDFLLREH-VQTJNVASSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnc(C)nc4)C[C@H]32)CC1 ZINC001076604911 848554548 /nfs/dbraw/zinc/55/45/48/848554548.db2.gz XPELMLXDFLLREH-VQTJNVASSA-N 2 1 367.497 1.163 20 30 FDEDMP C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000911891443 859095934 /nfs/dbraw/zinc/09/59/34/859095934.db2.gz HAMHBGBASSGUOJ-WOJBJXKFSA-N 2 1 357.498 1.996 20 30 FDEDMP COc1ccc(C#N)cc1CN1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088860059 864786490 /nfs/dbraw/zinc/78/64/90/864786490.db2.gz UPBTUXFFEMIQHM-FCEWJHQRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001088860059 864786500 /nfs/dbraw/zinc/78/65/00/864786500.db2.gz UPBTUXFFEMIQHM-FCEWJHQRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088860059 864786522 /nfs/dbraw/zinc/78/65/22/864786522.db2.gz UPBTUXFFEMIQHM-FCEWJHQRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H]1C ZINC001088860059 864786533 /nfs/dbraw/zinc/78/65/33/864786533.db2.gz UPBTUXFFEMIQHM-FCEWJHQRSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC001089059766 866388057 /nfs/dbraw/zinc/38/80/57/866388057.db2.gz ZZROBOHEJHDDFC-GGPKGHCWSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)cc2C)[C@H](C)C1 ZINC001106266627 874266755 /nfs/dbraw/zinc/26/67/55/874266755.db2.gz UTAQFVRKHQHUQD-AHRSYUTCSA-N 2 1 371.529 1.282 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCn2nc(C)cc2C)[C@H](C)C1 ZINC001106266627 874266765 /nfs/dbraw/zinc/26/67/65/874266765.db2.gz UTAQFVRKHQHUQD-AHRSYUTCSA-N 2 1 371.529 1.282 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001033092528 878875228 /nfs/dbraw/zinc/87/52/28/878875228.db2.gz AOFQRNLOHYYZPO-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001033092528 878875241 /nfs/dbraw/zinc/87/52/41/878875241.db2.gz AOFQRNLOHYYZPO-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001033092528 878875245 /nfs/dbraw/zinc/87/52/45/878875245.db2.gz AOFQRNLOHYYZPO-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001033092528 878875255 /nfs/dbraw/zinc/87/52/55/878875255.db2.gz AOFQRNLOHYYZPO-ATZDWAIDSA-N 2 1 370.497 1.940 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000923351528 888986687 /nfs/dbraw/zinc/98/66/87/888986687.db2.gz UBEZMVCRGSNVFW-AQNXPRMDSA-N 2 1 351.450 1.972 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000923388181 889099149 /nfs/dbraw/zinc/09/91/49/889099149.db2.gz MIKZPCAVKAAJPN-PNYFIKQUSA-N 2 1 359.470 1.516 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106910512 889551355 /nfs/dbraw/zinc/55/13/55/889551355.db2.gz BHMKONVKBUFWGD-QZTJIDSGSA-N 2 1 366.550 1.437 20 30 FDEDMP COc1ccccc1C1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC1 ZINC000183834697 896562305 /nfs/dbraw/zinc/56/23/05/896562305.db2.gz BBQVXVOFVYRTSY-UHFFFAOYSA-N 2 1 360.502 1.744 20 30 FDEDMP C=CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)n1 ZINC001128107613 896968598 /nfs/dbraw/zinc/96/85/98/896968598.db2.gz WAAXVBLXHNJVMW-GBESFXJTSA-N 2 1 371.529 1.782 20 30 FDEDMP CCCCCCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024556 897384754 /nfs/dbraw/zinc/38/47/54/897384754.db2.gz MMUZMBSEJYKFQI-GGPKGHCWSA-N 2 1 369.550 1.883 20 30 FDEDMP CCCCCCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024556 897384771 /nfs/dbraw/zinc/38/47/71/897384771.db2.gz MMUZMBSEJYKFQI-GGPKGHCWSA-N 2 1 369.550 1.883 20 30 FDEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024556 897384794 /nfs/dbraw/zinc/38/47/94/897384794.db2.gz MMUZMBSEJYKFQI-GGPKGHCWSA-N 2 1 369.550 1.883 20 30 FDEDMP CCCCCCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024556 897384809 /nfs/dbraw/zinc/38/48/09/897384809.db2.gz MMUZMBSEJYKFQI-GGPKGHCWSA-N 2 1 369.550 1.883 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083167434 901916317 /nfs/dbraw/zinc/91/63/17/901916317.db2.gz OLUQKAIIDCECIT-MRXNPFEDSA-N 2 1 353.474 1.477 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083167434 901916324 /nfs/dbraw/zinc/91/63/24/901916324.db2.gz OLUQKAIIDCECIT-MRXNPFEDSA-N 2 1 353.474 1.477 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC[C@H]1c1ccc(F)cc1 ZINC001079150052 901981779 /nfs/dbraw/zinc/98/17/79/901981779.db2.gz ZMBLPBRXNYISOI-OTWHNJEPSA-N 2 1 361.461 1.616 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC[C@H]1c1ccc(F)cc1 ZINC001079150052 901981786 /nfs/dbraw/zinc/98/17/86/901981786.db2.gz ZMBLPBRXNYISOI-OTWHNJEPSA-N 2 1 361.461 1.616 20 30 FDEDMP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001079135815 902003970 /nfs/dbraw/zinc/00/39/70/902003970.db2.gz OIPOVBXJLHRCEK-VBSBHUPXSA-N 2 1 357.498 1.587 20 30 FDEDMP C=CC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079135815 902003981 /nfs/dbraw/zinc/00/39/81/902003981.db2.gz OIPOVBXJLHRCEK-VBSBHUPXSA-N 2 1 357.498 1.587 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135815 902003987 /nfs/dbraw/zinc/00/39/87/902003987.db2.gz OIPOVBXJLHRCEK-VBSBHUPXSA-N 2 1 357.498 1.587 20 30 FDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135815 902003993 /nfs/dbraw/zinc/00/39/93/902003993.db2.gz OIPOVBXJLHRCEK-VBSBHUPXSA-N 2 1 357.498 1.587 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cccc(F)c1 ZINC001079188586 902137267 /nfs/dbraw/zinc/13/72/67/902137267.db2.gz HDUANXYKNKGBFT-ZWQIFLOQSA-N 2 1 361.461 1.615 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cccc(F)c1 ZINC001079188586 902137276 /nfs/dbraw/zinc/13/72/76/902137276.db2.gz HDUANXYKNKGBFT-ZWQIFLOQSA-N 2 1 361.461 1.615 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259900 902295884 /nfs/dbraw/zinc/29/58/84/902295884.db2.gz UIKBJHXMQOBIKM-CEXWTWQISA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1F ZINC001079299261 902341663 /nfs/dbraw/zinc/34/16/63/902341663.db2.gz GZIFVSWYTSRHHN-IWKCEXAMSA-N 2 1 359.445 1.062 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1F ZINC001079299261 902341674 /nfs/dbraw/zinc/34/16/74/902341674.db2.gz GZIFVSWYTSRHHN-IWKCEXAMSA-N 2 1 359.445 1.062 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710629 903121782 /nfs/dbraw/zinc/12/17/82/903121782.db2.gz QAHKHMZHGHVTON-MAODMQOUSA-N 2 1 369.484 1.956 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710629 903121791 /nfs/dbraw/zinc/12/17/91/903121791.db2.gz QAHKHMZHGHVTON-MAODMQOUSA-N 2 1 369.484 1.956 20 30 FDEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107410473 904775928 /nfs/dbraw/zinc/77/59/28/904775928.db2.gz FKCVZPSGIZRGBJ-QKNQBKEWSA-N 2 1 361.530 1.892 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779340 906243951 /nfs/dbraw/zinc/24/39/51/906243951.db2.gz KMUQSZCSYRJIDQ-IMFGXOCKSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080779340 906243965 /nfs/dbraw/zinc/24/39/65/906243965.db2.gz KMUQSZCSYRJIDQ-IMFGXOCKSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080779340 906243983 /nfs/dbraw/zinc/24/39/83/906243983.db2.gz KMUQSZCSYRJIDQ-IMFGXOCKSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787834 906316802 /nfs/dbraw/zinc/31/68/02/906316802.db2.gz VAABWZJDXOQBMB-RDTXWAMCSA-N 2 1 356.445 1.730 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787834 906316811 /nfs/dbraw/zinc/31/68/11/906316811.db2.gz VAABWZJDXOQBMB-RDTXWAMCSA-N 2 1 356.445 1.730 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3conc3CC)C[C@H]2C)CC1 ZINC001080998083 906974585 /nfs/dbraw/zinc/97/45/85/906974585.db2.gz RMRGFFPWAWBJTM-DNVCBOLYSA-N 2 1 358.486 1.519 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3conc3CC)C[C@H]2C)CC1 ZINC001080998083 906974591 /nfs/dbraw/zinc/97/45/91/906974591.db2.gz RMRGFFPWAWBJTM-DNVCBOLYSA-N 2 1 358.486 1.519 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001080998137 906975780 /nfs/dbraw/zinc/97/57/80/906975780.db2.gz UMQUVMLLXIIHOD-YZGWKJHDSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1ccccc1 ZINC001081125861 907308083 /nfs/dbraw/zinc/30/80/83/907308083.db2.gz UCGCOYQYXWHEFN-ZCNNSNEGSA-N 2 1 365.481 1.031 20 30 FDEDMP C=CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001127996825 909550628 /nfs/dbraw/zinc/55/06/28/909550628.db2.gz FMRAGCIXANZRPO-OWCLPIDISA-N 2 1 360.506 1.105 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001082933915 910989787 /nfs/dbraw/zinc/98/97/87/910989787.db2.gz ORFWPTIMTUTVPK-XYPHTWIQSA-N 2 1 362.499 1.277 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001082933915 910989794 /nfs/dbraw/zinc/98/97/94/910989794.db2.gz ORFWPTIMTUTVPK-XYPHTWIQSA-N 2 1 362.499 1.277 20 30 FDEDMP C=CCOCCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406322 911384476 /nfs/dbraw/zinc/38/44/76/911384476.db2.gz OGIKRPXMPONPNI-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212406322 911384495 /nfs/dbraw/zinc/38/44/95/911384495.db2.gz OGIKRPXMPONPNI-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H](OC)C1 ZINC001212406322 911384509 /nfs/dbraw/zinc/38/45/09/911384509.db2.gz OGIKRPXMPONPNI-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406322 911384527 /nfs/dbraw/zinc/38/45/27/911384527.db2.gz OGIKRPXMPONPNI-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@H](OC)C1 ZINC001212406322 911384545 /nfs/dbraw/zinc/38/45/45/911384545.db2.gz OGIKRPXMPONPNI-CEXWTWQISA-N 2 1 365.518 1.411 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1F ZINC001084777826 917053150 /nfs/dbraw/zinc/05/31/50/917053150.db2.gz QZISZUMLGFZLPD-IEBWSBKVSA-N 2 1 368.456 1.826 20 30 FDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1F ZINC001084777826 917053157 /nfs/dbraw/zinc/05/31/57/917053157.db2.gz QZISZUMLGFZLPD-IEBWSBKVSA-N 2 1 368.456 1.826 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC001085053988 920160879 /nfs/dbraw/zinc/16/08/79/920160879.db2.gz BQOODVZSFRBTOD-MJGOQNOKSA-N 2 1 359.518 1.947 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc(C)o2)CC1 ZINC001085432585 924678871 /nfs/dbraw/zinc/67/88/71/924678871.db2.gz FVPCSFBYELOBTR-IAGOWNOFSA-N 2 1 359.474 1.240 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169131227 928288927 /nfs/dbraw/zinc/28/89/27/928288927.db2.gz RYSWYYKRUJAKQX-RCLSDMTESA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169131227 928288941 /nfs/dbraw/zinc/28/89/41/928288941.db2.gz RYSWYYKRUJAKQX-RCLSDMTESA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169131227 928288955 /nfs/dbraw/zinc/28/89/55/928288955.db2.gz RYSWYYKRUJAKQX-RCLSDMTESA-N 2 1 360.546 1.795 20 30 FDEDMP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001130306901 938804662 /nfs/dbraw/zinc/80/46/62/938804662.db2.gz DAUZBRJQXIWOAL-XLIONFOSSA-N 2 1 364.534 1.378 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130596645 939903485 /nfs/dbraw/zinc/90/34/85/939903485.db2.gz NQSKCUFNKGJUGL-RNIPGJKVSA-N 2 1 357.502 1.058 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC=C(C)C)C1 ZINC001130610772 939908231 /nfs/dbraw/zinc/90/82/31/939908231.db2.gz QCZFFBDPPVEMCR-SXLOBPIMSA-N 2 1 369.513 1.368 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC=C(C)C)C1 ZINC001130610772 939908233 /nfs/dbraw/zinc/90/82/33/939908233.db2.gz QCZFFBDPPVEMCR-SXLOBPIMSA-N 2 1 369.513 1.368 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130672796 939971944 /nfs/dbraw/zinc/97/19/44/939971944.db2.gz ZLVBILNJVZXXAY-JENIJYKNSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130734499 940034513 /nfs/dbraw/zinc/03/45/13/940034513.db2.gz UGXLNWCKMLCZKI-QXAKKESOSA-N 2 1 359.518 1.755 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131017796 940438531 /nfs/dbraw/zinc/43/85/31/940438531.db2.gz LYYAEPZAKUCFEI-KZNAEPCWSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031429 940455189 /nfs/dbraw/zinc/45/51/89/940455189.db2.gz PBOSGYOZFGHKQC-KBAYOESNSA-N 2 1 370.501 1.864 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131059907 940478920 /nfs/dbraw/zinc/47/89/20/940478920.db2.gz ORPNLSWQRFEURL-HUUCEWRRSA-N 2 1 353.898 1.398 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cncn1C ZINC001131132439 940512526 /nfs/dbraw/zinc/51/25/26/940512526.db2.gz KXUNOELPYJAOQY-KURKYZTESA-N 2 1 359.518 1.755 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316496 940550884 /nfs/dbraw/zinc/55/08/84/940550884.db2.gz LFUFWWQMAXOLDZ-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001131515345 940679714 /nfs/dbraw/zinc/67/97/14/940679714.db2.gz FCFPWJPFOHYALJ-SBHAEUEKSA-N 2 1 361.530 1.870 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC001131517098 940684429 /nfs/dbraw/zinc/68/44/29/940684429.db2.gz KICDGMMWFRSAKC-GGPKGHCWSA-N 2 1 370.497 1.770 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000815652575 941933095 /nfs/dbraw/zinc/93/30/95/941933095.db2.gz IWFVXPXBOBLQNR-MSOLQXFVSA-N 2 1 365.518 1.946 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000815652575 941933096 /nfs/dbraw/zinc/93/30/96/941933096.db2.gz IWFVXPXBOBLQNR-MSOLQXFVSA-N 2 1 365.518 1.946 20 30 FDEDMP C#CCSCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000823861415 946493876 /nfs/dbraw/zinc/49/38/76/946493876.db2.gz HQKGYHJDRHVFCT-UHFFFAOYSA-N 2 1 356.499 1.787 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1[nH+]cc(C(=O)OC)c2c1ccn2C ZINC001171067463 946800100 /nfs/dbraw/zinc/80/01/00/946800100.db2.gz GAPRXJSUZTYZIL-HNNXBMFYSA-N 2 1 374.441 1.999 20 30 FDEDMP COC(=O)C1(C#N)CC[NH+](Cc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000824871694 946859095 /nfs/dbraw/zinc/85/90/95/946859095.db2.gz JNDAUJJSWCFOQF-UHFFFAOYSA-N 2 1 356.470 1.717 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc2nc([C@H]3CC[NH2+]C3)nn2c1 ZINC001171075328 947030717 /nfs/dbraw/zinc/03/07/17/947030717.db2.gz VBHKIKOCPDPWQB-HOCLYGCPSA-N 2 1 372.473 1.445 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1c1cnn(C)c1 ZINC001087004884 953063216 /nfs/dbraw/zinc/06/32/16/953063216.db2.gz AYFDFOMINPCHBU-ZCNNSNEGSA-N 2 1 371.529 1.592 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@@]3(C)C2)C1 ZINC001092273752 954657295 /nfs/dbraw/zinc/65/72/95/954657295.db2.gz QPCYUDBTJRSESC-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@@]3(C)C2)C1 ZINC001092273752 954657298 /nfs/dbraw/zinc/65/72/98/954657298.db2.gz QPCYUDBTJRSESC-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@@]3(C)C2)C1 ZINC001092273752 954657300 /nfs/dbraw/zinc/65/73/00/954657300.db2.gz QPCYUDBTJRSESC-BLIXFSHQSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001092689595 956195664 /nfs/dbraw/zinc/19/56/64/956195664.db2.gz NNRNKYKOPLDVMZ-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001092689595 956195681 /nfs/dbraw/zinc/19/56/81/956195681.db2.gz NNRNKYKOPLDVMZ-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001092689595 956195692 /nfs/dbraw/zinc/19/56/92/956195692.db2.gz NNRNKYKOPLDVMZ-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(OC)cc2)C[C@H]1C ZINC001092689595 956195697 /nfs/dbraw/zinc/19/56/97/956195697.db2.gz NNRNKYKOPLDVMZ-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001093480877 958305380 /nfs/dbraw/zinc/30/53/80/958305380.db2.gz PPSMOJINWSHTEM-JYBIWHBTSA-N 2 1 360.502 1.734 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CCCO1 ZINC000775791351 972483711 /nfs/dbraw/zinc/48/37/11/972483711.db2.gz LUZHOFUODQFYSP-WOJBJXKFSA-N 2 1 370.497 1.537 20 30 FDEDMP C=C(C)CC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2=O)C1 ZINC001094740214 961134693 /nfs/dbraw/zinc/13/46/93/961134693.db2.gz LUGQGZYXGVNTBI-RYQLBKOJSA-N 2 1 362.518 1.084 20 30 FDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC12CCOCC2 ZINC001186403043 964474246 /nfs/dbraw/zinc/47/42/46/964474246.db2.gz ZPTAQSOEYGUMEE-BRWVUGGUSA-N 2 1 356.470 1.381 20 30 FDEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405490 966299268 /nfs/dbraw/zinc/29/92/68/966299268.db2.gz IOMCYJMLKSKCBM-QFBILLFUSA-N 2 1 352.438 1.439 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405490 966299276 /nfs/dbraw/zinc/29/92/76/966299276.db2.gz IOMCYJMLKSKCBM-QFBILLFUSA-N 2 1 352.438 1.439 20 30 FDEDMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21 ZINC001189034841 966709917 /nfs/dbraw/zinc/70/99/17/966709917.db2.gz PAUDCTTUJBPJBX-PKOBYXMFSA-N 2 1 356.470 1.573 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)[C@@H]2C1 ZINC001189134570 966785197 /nfs/dbraw/zinc/78/51/97/966785197.db2.gz ABOCMTMCHOVFCV-LEWJYISDSA-N 2 1 369.509 1.587 20 30 FDEDMP O=C(C#CC1CC[NH2+]CC1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000852910664 967700444 /nfs/dbraw/zinc/70/04/44/967700444.db2.gz YQTWHCZFADFJKA-UHFFFAOYSA-N 2 1 366.509 1.460 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194962146 970560013 /nfs/dbraw/zinc/56/00/13/970560013.db2.gz VIFQYZWVXKRJBI-PWIZWCRZSA-N 2 1 359.514 1.920 20 30 FDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)CC2(C#N)CCOCC2)cn1 ZINC000863550627 973005688 /nfs/dbraw/zinc/00/56/88/973005688.db2.gz BZRFIPFAVSRDTE-QGZVFWFLSA-N 2 1 355.442 1.737 20 30 FDEDMP C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000852101287 979351073 /nfs/dbraw/zinc/35/10/73/979351073.db2.gz OYDPCHJGBXLZBZ-DYESRHJHSA-N 2 1 357.498 1.915 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)CC1 ZINC000332497687 983064223 /nfs/dbraw/zinc/06/42/23/983064223.db2.gz ZISOMLMZXFTZKF-WMZOPIPTSA-N 2 1 362.518 1.228 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332497687 983064227 /nfs/dbraw/zinc/06/42/27/983064227.db2.gz ZISOMLMZXFTZKF-WMZOPIPTSA-N 2 1 362.518 1.228 20 30 FDEDMP C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[N@@H+]1Cc1ccccc1 ZINC000884427119 983149858 /nfs/dbraw/zinc/14/98/58/983149858.db2.gz IFNMRFFJVDFRTI-WHMCQKABSA-N 2 1 352.482 1.859 20 30 FDEDMP C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[N@H+]1Cc1ccccc1 ZINC000884427119 983149861 /nfs/dbraw/zinc/14/98/61/983149861.db2.gz IFNMRFFJVDFRTI-WHMCQKABSA-N 2 1 352.482 1.859 20 30 FDEDMP C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000886361723 986100186 /nfs/dbraw/zinc/10/01/86/986100186.db2.gz SQFFDIKISSUOPX-UYAOXDASSA-N 2 1 369.509 1.869 20 30 FDEDMP C#CC[C@@H]1CC[N@H+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000886361723 986100191 /nfs/dbraw/zinc/10/01/91/986100191.db2.gz SQFFDIKISSUOPX-UYAOXDASSA-N 2 1 369.509 1.869 20 30 FDEDMP CCC[NH+]1CCN(C2CC[NH+](CC(=O)N(CC)C[C@H](C)C#N)CC2)CC1 ZINC000369155965 989032177 /nfs/dbraw/zinc/03/21/77/989032177.db2.gz NODFGKXUPZKYFZ-GOSISDBHSA-N 2 1 363.550 1.487 20 30 FDEDMP Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1C#N ZINC000364751679 989763935 /nfs/dbraw/zinc/76/39/35/989763935.db2.gz APKVTOKMCNIACW-OAHLLOKOSA-N 2 1 369.469 1.090 20 30 FDEDMP Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1C#N ZINC000364751679 989763940 /nfs/dbraw/zinc/76/39/40/989763940.db2.gz APKVTOKMCNIACW-OAHLLOKOSA-N 2 1 369.469 1.090 20 30 FDEDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301442 990348205 /nfs/dbraw/zinc/34/82/05/990348205.db2.gz FVFYAEVYCUQTMB-PXNSSMCTSA-N 2 1 369.513 1.845 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000876775723 992901186 /nfs/dbraw/zinc/90/11/86/992901186.db2.gz DURIYYBHIQEWKG-YOEHRIQHSA-N 2 1 367.877 1.864 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000876775723 992901190 /nfs/dbraw/zinc/90/11/90/992901190.db2.gz DURIYYBHIQEWKG-YOEHRIQHSA-N 2 1 367.877 1.864 20 30 FDEDMP C[C@H](O)[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393068 993938383 /nfs/dbraw/zinc/93/83/83/993938383.db2.gz ZVBGXCVTSKTWEA-LVNJIZSUSA-N 2 1 357.498 1.964 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)C1 ZINC000890364265 998914308 /nfs/dbraw/zinc/91/43/08/998914308.db2.gz YJOBWTMWVLLOAL-KAKFPZCNSA-N 2 1 362.518 1.367 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)C1 ZINC000890364265 998914311 /nfs/dbraw/zinc/91/43/11/998914311.db2.gz YJOBWTMWVLLOAL-KAKFPZCNSA-N 2 1 362.518 1.367 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1 ZINC000890364265 998914316 /nfs/dbraw/zinc/91/43/16/998914316.db2.gz YJOBWTMWVLLOAL-KAKFPZCNSA-N 2 1 362.518 1.367 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)C1 ZINC000890364265 998914320 /nfs/dbraw/zinc/91/43/20/998914320.db2.gz YJOBWTMWVLLOAL-KAKFPZCNSA-N 2 1 362.518 1.367 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000890371473 998917735 /nfs/dbraw/zinc/91/77/35/998917735.db2.gz WBUJOVIUSFCAIU-TZIWHRDSSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000890371473 998917738 /nfs/dbraw/zinc/91/77/38/998917738.db2.gz WBUJOVIUSFCAIU-TZIWHRDSSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000890371473 998917739 /nfs/dbraw/zinc/91/77/39/998917739.db2.gz WBUJOVIUSFCAIU-TZIWHRDSSA-N 2 1 370.497 1.020 20 30 FDEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000890371473 998917742 /nfs/dbraw/zinc/91/77/42/998917742.db2.gz WBUJOVIUSFCAIU-TZIWHRDSSA-N 2 1 370.497 1.020 20 30 FDEDMP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[N@H+](C)Cc1ccccc1 ZINC000267474198 999344792 /nfs/dbraw/zinc/34/47/92/999344792.db2.gz YYCJINNDGGYHPV-KRWDZBQOSA-N 2 1 367.501 1.434 20 30 FDEDMP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000267474198 999344796 /nfs/dbraw/zinc/34/47/96/999344796.db2.gz YYCJINNDGGYHPV-KRWDZBQOSA-N 2 1 367.501 1.434 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000948381219 1002281183 /nfs/dbraw/zinc/28/11/83/1002281183.db2.gz IDSSHRYMCMDATN-AQNXPRMDSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000930895302 1003641809 /nfs/dbraw/zinc/64/18/09/1003641809.db2.gz YJADCZCVDHLHQC-UHFFFAOYSA-N 2 1 357.502 1.905 20 30 FDEDMP COC(=O)C[C@@H]1C[NH+](CC#CC[N@H+]2C[C@@H](C)[C@H](CC(=O)OC)C2)C[C@H]1C ZINC000932102195 1004770581 /nfs/dbraw/zinc/77/05/81/1004770581.db2.gz JJKXKOOGSDLIHQ-BRSBDYLESA-N 2 1 364.486 1.252 20 30 FDEDMP C[C@@H]1CCC[N@@H+](CCNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000305011167 1008557657 /nfs/dbraw/zinc/55/76/57/1008557657.db2.gz KOTSZYCBQDSPAX-HZPDHXFCSA-N 2 1 365.522 1.599 20 30 FDEDMP CC(C)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)NC(=O)OC(C)(C)C ZINC000304750047 1010478134 /nfs/dbraw/zinc/47/81/34/1010478134.db2.gz IAWXPRNOONEGPH-OAHLLOKOSA-N 2 1 371.526 1.162 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)C(C)C ZINC000650667820 1012538155 /nfs/dbraw/zinc/53/81/55/1012538155.db2.gz WKAOGLJZDCHJOL-MSOLQXFVSA-N 2 1 350.507 1.145 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C(C)C ZINC000650667820 1012538168 /nfs/dbraw/zinc/53/81/68/1012538168.db2.gz WKAOGLJZDCHJOL-MSOLQXFVSA-N 2 1 350.507 1.145 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC000553326667 543609980 /nfs/dbraw/zinc/60/99/80/543609980.db2.gz BIOPKOLLJVXTFO-CVEARBPZSA-N 2 1 350.507 1.084 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000557769804 544344436 /nfs/dbraw/zinc/34/44/36/544344436.db2.gz SRESCDMINQZCBQ-DLBZAZTESA-N 2 1 364.534 1.380 20 30 FDEDMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333682771 259369805 /nfs/dbraw/zinc/36/98/05/259369805.db2.gz OYTCHWNZVMHHCR-QFBILLFUSA-N 2 1 355.486 1.774 20 30 FDEDMP N#Cc1ccc(OCC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000375392601 261328804 /nfs/dbraw/zinc/32/88/04/261328804.db2.gz LQVOMFGIXJRWRM-UHFFFAOYSA-N 2 1 358.486 1.277 20 30 FDEDMP N#Cc1ccc(OCC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000375392601 261328805 /nfs/dbraw/zinc/32/88/05/261328805.db2.gz LQVOMFGIXJRWRM-UHFFFAOYSA-N 2 1 358.486 1.277 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074129968 522687904 /nfs/dbraw/zinc/68/79/04/522687904.db2.gz NNZJIOXPOUWDDS-QGZVFWFLSA-N 2 1 351.539 1.210 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000116252096 525122543 /nfs/dbraw/zinc/12/25/43/525122543.db2.gz SYCFYAYXDQHRGG-XLIONFOSSA-N 2 1 354.498 1.753 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)CC1 ZINC000180873097 525767247 /nfs/dbraw/zinc/76/72/47/525767247.db2.gz VYVITKKOPRVWIJ-NRFANRHFSA-N 2 1 369.509 1.605 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000107371611 525878158 /nfs/dbraw/zinc/87/81/58/525878158.db2.gz UONXBWPCMJPDSY-PMACEKPBSA-N 2 1 372.513 1.204 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000171565895 526037983 /nfs/dbraw/zinc/03/79/83/526037983.db2.gz BUKDPKCCGOHIFC-FQEVSTJZSA-N 2 1 356.514 1.742 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000183762576 536045743 /nfs/dbraw/zinc/04/57/43/536045743.db2.gz LEXKWRNGXIHZTL-HXUWFJFHSA-N 2 1 355.482 1.215 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000363823885 537330823 /nfs/dbraw/zinc/33/08/23/537330823.db2.gz OGOBXOHOJGXBSE-LJQANCHMSA-N 2 1 363.550 1.447 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000363823885 537330827 /nfs/dbraw/zinc/33/08/27/537330827.db2.gz OGOBXOHOJGXBSE-LJQANCHMSA-N 2 1 363.550 1.447 20 30 FDEDMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000330225662 537652217 /nfs/dbraw/zinc/65/22/17/537652217.db2.gz OHHLUMYKQFVYAS-KSZLIROESA-N 2 1 350.507 1.448 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000418793748 537768095 /nfs/dbraw/zinc/76/80/95/537768095.db2.gz QFDDAPPESXQYTO-RBUKOAKNSA-N 2 1 355.486 1.903 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[N@H+](CCCOC)CC2)CC1 ZINC000369656743 538044785 /nfs/dbraw/zinc/04/47/85/538044785.db2.gz LRULLJPFGAVVLS-UHFFFAOYSA-N 2 1 352.523 1.781 20 30 FDEDMP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567896537 548315092 /nfs/dbraw/zinc/31/50/92/548315092.db2.gz ZUROVLLOYRWRRF-GOSISDBHSA-N 2 1 353.474 1.203 20 30 FDEDMP CN(C)c1cc(C#N)cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000590242027 551766823 /nfs/dbraw/zinc/76/68/23/551766823.db2.gz KKRHEIXOAPYDGP-LJQANCHMSA-N 2 1 369.513 1.865 20 30 FDEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148921 551949527 /nfs/dbraw/zinc/94/95/27/551949527.db2.gz FFGQCGJWVDDDEL-UWJYYQICSA-N 2 1 370.497 1.506 20 30 FDEDMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148921 551949529 /nfs/dbraw/zinc/94/95/29/551949529.db2.gz FFGQCGJWVDDDEL-UWJYYQICSA-N 2 1 370.497 1.506 20 30 FDEDMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000592504610 552002909 /nfs/dbraw/zinc/00/29/09/552002909.db2.gz KWZMYJRNNBLUBF-UHFFFAOYSA-N 2 1 367.501 1.591 20 30 FDEDMP C[C@H](C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1)N1CC[NH+](C)CC1 ZINC000593882913 552216487 /nfs/dbraw/zinc/21/64/87/552216487.db2.gz NKHLRTSCEOZNFF-QGZVFWFLSA-N 2 1 369.513 1.275 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000594441024 552311177 /nfs/dbraw/zinc/31/11/77/552311177.db2.gz LEJNGURGNRLVMV-DLBZAZTESA-N 2 1 357.458 1.486 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000594441024 552311179 /nfs/dbraw/zinc/31/11/79/552311179.db2.gz LEJNGURGNRLVMV-DLBZAZTESA-N 2 1 357.458 1.486 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000594439895 552311241 /nfs/dbraw/zinc/31/12/41/552311241.db2.gz VXQFRUWSVMGOKW-GOSISDBHSA-N 2 1 358.490 1.121 20 30 FDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000597943281 552848780 /nfs/dbraw/zinc/84/87/80/552848780.db2.gz WTZLGCNJGXRRCT-QFBILLFUSA-N 2 1 355.486 1.629 20 30 FDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 ZINC000597943281 552848781 /nfs/dbraw/zinc/84/87/81/552848781.db2.gz WTZLGCNJGXRRCT-QFBILLFUSA-N 2 1 355.486 1.629 20 30 FDEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600720429 553306990 /nfs/dbraw/zinc/30/69/90/553306990.db2.gz YJRAWBFSFSNIGO-GOSISDBHSA-N 2 1 356.470 1.219 20 30 FDEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000288716859 676044590 /nfs/dbraw/zinc/04/45/90/676044590.db2.gz LNPIEWRTIUIPHL-OAHLLOKOSA-N 2 1 353.417 1.634 20 30 FDEDMP O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000262422970 672786976 /nfs/dbraw/zinc/78/69/76/672786976.db2.gz RGCPOICHYROGPG-WBVHZDCISA-N 2 1 368.547 1.089 20 30 FDEDMP Cc1[nH+]ccn1CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000264066276 672899753 /nfs/dbraw/zinc/89/97/53/672899753.db2.gz BFWZHSBVDQQIMB-UHFFFAOYSA-N 2 1 350.467 1.449 20 30 FDEDMP CN(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1 ZINC000264091581 672901083 /nfs/dbraw/zinc/90/10/83/672901083.db2.gz LCBKPWSSUNDUIT-QGZVFWFLSA-N 2 1 351.470 1.055 20 30 FDEDMP CN(CCCNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1F ZINC000303877252 676543468 /nfs/dbraw/zinc/54/34/68/676543468.db2.gz IKINFZFXGFGDNQ-UHFFFAOYSA-N 2 1 351.470 1.279 20 30 FDEDMP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCC[N@H+]2C)n1 ZINC000329895356 676662698 /nfs/dbraw/zinc/66/26/98/676662698.db2.gz BTYXCBAVLKCVOK-MELADBBJSA-N 2 1 350.442 1.510 20 30 FDEDMP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CNC(=O)[C@H]2CCCN2C)n1 ZINC000329895356 676662699 /nfs/dbraw/zinc/66/26/99/676662699.db2.gz BTYXCBAVLKCVOK-MELADBBJSA-N 2 1 350.442 1.510 20 30 FDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330292535 676683256 /nfs/dbraw/zinc/68/32/56/676683256.db2.gz DIAIOCVZXOJRSR-SPUZQDLCSA-N 2 1 352.523 1.550 20 30 FDEDMP C=CC[C@@H](CO)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371982458 677820890 /nfs/dbraw/zinc/82/08/90/677820890.db2.gz APDKOFFJIYJHMD-KRWDZBQOSA-N 2 1 352.523 1.419 20 30 FDEDMP C=C(Cl)C[NH2+]CC[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104289987 773663616 /nfs/dbraw/zinc/66/36/16/773663616.db2.gz VYJFWPYWWXIXPH-OIISXLGYSA-N 2 1 367.925 1.640 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1C ZINC001104291559 773841294 /nfs/dbraw/zinc/84/12/94/773841294.db2.gz OQPFQDLXGQCKGX-AQNXPRMDSA-N 2 1 363.546 1.973 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCC[NH2+]C3CC3)CC2)cc1 ZINC000418300497 795734441 /nfs/dbraw/zinc/73/44/41/795734441.db2.gz NCABKIGWNLHLCH-UHFFFAOYSA-N 2 1 355.486 1.918 20 30 FDEDMP C=CC[C@]1(C(=O)NCC2([NH3+])CCN(Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000662817817 803479187 /nfs/dbraw/zinc/47/91/87/803479187.db2.gz XBDJECHXANGBIQ-OAQYLSRUSA-N 2 1 356.514 1.794 20 30 FDEDMP C[NH+]=C(NCCn1c(C)nc2ccccc21)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261719472 810301224 /nfs/dbraw/zinc/30/12/24/810301224.db2.gz IEJRASKFEUQABY-KBXCAEBGSA-N 2 1 354.502 1.992 20 30 FDEDMP CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261800537 811322050 /nfs/dbraw/zinc/32/20/50/811322050.db2.gz RRJAPFHKOKNWGM-QGZVFWFLSA-N 2 1 374.485 1.535 20 30 FDEDMP C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261856748 811332256 /nfs/dbraw/zinc/33/22/56/811332256.db2.gz XYHLAMUJLDGTBL-QZTJIDSGSA-N 2 1 372.513 1.782 20 30 FDEDMP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000328658101 819524552 /nfs/dbraw/zinc/52/45/52/819524552.db2.gz QKNGCGCKSFCYFZ-CTWPCTMYSA-N 2 1 365.566 1.779 20 30 FDEDMP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)nc2)C1 ZINC000328933814 819583245 /nfs/dbraw/zinc/58/32/45/819583245.db2.gz IRVMHKMDUJNCKK-IRXDYDNUSA-N 2 1 358.490 1.200 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000329815674 825478402 /nfs/dbraw/zinc/47/84/02/825478402.db2.gz NWQKSALXVSXHBJ-NVXWUHKLSA-N 2 1 360.506 1.320 20 30 FDEDMP C#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115686 826463376 /nfs/dbraw/zinc/46/33/76/826463376.db2.gz IHCCCMHXDPTXOA-MHTWAQMVSA-N 2 1 351.494 1.745 20 30 FDEDMP C#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115686 826463380 /nfs/dbraw/zinc/46/33/80/826463380.db2.gz IHCCCMHXDPTXOA-MHTWAQMVSA-N 2 1 351.494 1.745 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115686 826463383 /nfs/dbraw/zinc/46/33/83/826463383.db2.gz IHCCCMHXDPTXOA-MHTWAQMVSA-N 2 1 351.494 1.745 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(F)ccc4C#N)CC[C@@H]3C2)C1 ZINC001088199660 827431637 /nfs/dbraw/zinc/43/16/37/827431637.db2.gz YEGFQEHGKKINQJ-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(F)ccc4C#N)CC[C@@H]3C2)C1 ZINC001088199660 827431641 /nfs/dbraw/zinc/43/16/41/827431641.db2.gz YEGFQEHGKKINQJ-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(F)ccc4C#N)CC[C@@H]3C2)C1 ZINC001088199660 827431645 /nfs/dbraw/zinc/43/16/45/827431645.db2.gz YEGFQEHGKKINQJ-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cc(F)ccc4C#N)CC[C@@H]3C2)C1 ZINC001088199660 827431649 /nfs/dbraw/zinc/43/16/49/827431649.db2.gz YEGFQEHGKKINQJ-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnc(C)o4)CC[C@@H]3C2)CC1 ZINC001088211900 827492963 /nfs/dbraw/zinc/49/29/63/827492963.db2.gz FHZCWXUILLCAIU-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP COc1cccc(NC(=[NH2+])NCc2cccnc2N2CC[NH+](C)CC2)c1 ZINC000303869149 830333208 /nfs/dbraw/zinc/33/32/08/830333208.db2.gz DQUGDPBOBDHUEP-UHFFFAOYSA-N 2 1 354.458 1.769 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105669943 844338450 /nfs/dbraw/zinc/33/84/50/844338450.db2.gz WSDXTCRWVYOHOP-LFGUQSLTSA-N 2 1 358.486 1.181 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088815602 845792893 /nfs/dbraw/zinc/79/28/93/845792893.db2.gz WTSZWPNLWKLNSV-UXPWSPDFSA-N 2 1 370.497 1.746 20 30 FDEDMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088815602 845792898 /nfs/dbraw/zinc/79/28/98/845792898.db2.gz WTSZWPNLWKLNSV-UXPWSPDFSA-N 2 1 370.497 1.746 20 30 FDEDMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088815602 845792900 /nfs/dbraw/zinc/79/29/00/845792900.db2.gz WTSZWPNLWKLNSV-UXPWSPDFSA-N 2 1 370.497 1.746 20 30 FDEDMP CC(C)[NH+]1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)[C@@H]2C)C1 ZINC001088815602 845792906 /nfs/dbraw/zinc/79/29/06/845792906.db2.gz WTSZWPNLWKLNSV-UXPWSPDFSA-N 2 1 370.497 1.746 20 30 FDEDMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083521637 846092403 /nfs/dbraw/zinc/09/24/03/846092403.db2.gz BIAOSHGDEZLFQX-AQNXPRMDSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083521637 846092413 /nfs/dbraw/zinc/09/24/13/846092413.db2.gz BIAOSHGDEZLFQX-AQNXPRMDSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083521637 846092421 /nfs/dbraw/zinc/09/24/21/846092421.db2.gz BIAOSHGDEZLFQX-AQNXPRMDSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083521637 846092429 /nfs/dbraw/zinc/09/24/29/846092429.db2.gz BIAOSHGDEZLFQX-AQNXPRMDSA-N 2 1 370.497 1.197 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)c1 ZINC001076467593 848193619 /nfs/dbraw/zinc/19/36/19/848193619.db2.gz NWEJWMHKHHXDAE-RBUKOAKNSA-N 2 1 350.466 1.687 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000908694567 855684023 /nfs/dbraw/zinc/68/40/23/855684023.db2.gz CMRSZCNNUYPJLI-CVEARBPZSA-N 2 1 360.506 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908694567 855684027 /nfs/dbraw/zinc/68/40/27/855684027.db2.gz CMRSZCNNUYPJLI-CVEARBPZSA-N 2 1 360.506 1.530 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C)C(C)(C)C1 ZINC000908694567 855684031 /nfs/dbraw/zinc/68/40/31/855684031.db2.gz CMRSZCNNUYPJLI-CVEARBPZSA-N 2 1 360.506 1.530 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C)cc1C#N ZINC001088859373 864781736 /nfs/dbraw/zinc/78/17/36/864781736.db2.gz ALKCDPLSHCSVFT-MDZRGWNJSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)[C@H]2C)cc1C#N ZINC001088859373 864781741 /nfs/dbraw/zinc/78/17/41/864781741.db2.gz ALKCDPLSHCSVFT-MDZRGWNJSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@H]2C)cc1C#N ZINC001088859373 864781747 /nfs/dbraw/zinc/78/17/47/864781747.db2.gz ALKCDPLSHCSVFT-MDZRGWNJSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)[C@H]2C)cc1C#N ZINC001088859373 864781751 /nfs/dbraw/zinc/78/17/51/864781751.db2.gz ALKCDPLSHCSVFT-MDZRGWNJSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC3CC(F)(F)C3)[C@@H]2C)CC1 ZINC001089059205 866380807 /nfs/dbraw/zinc/38/08/07/866380807.db2.gz DKOGNVQVMYJEBA-PBHICJAKSA-N 2 1 353.457 1.956 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCC[C@H]3CCOC3)[C@@H]2C)CC1 ZINC001089059767 866388852 /nfs/dbraw/zinc/38/88/52/866388852.db2.gz ZZROBOHEJHDDFC-HBFSDRIKSA-N 2 1 361.530 1.727 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000923393348 889104983 /nfs/dbraw/zinc/10/49/83/889104983.db2.gz PACDVOYSKJEGAU-LFGUQSLTSA-N 2 1 359.470 1.659 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000923401458 889139731 /nfs/dbraw/zinc/13/97/31/889139731.db2.gz NHYVOUPBGVTBIR-FMKPAKJESA-N 2 1 357.376 1.757 20 30 FDEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000923401458 889139739 /nfs/dbraw/zinc/13/97/39/889139739.db2.gz NHYVOUPBGVTBIR-FMKPAKJESA-N 2 1 357.376 1.757 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129289150 890068743 /nfs/dbraw/zinc/06/87/43/890068743.db2.gz RNNKPLIQGBUGAJ-SJORKVTESA-N 2 1 371.489 1.606 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)[C@@H](n2ccnn2)C1 ZINC001129289150 890068760 /nfs/dbraw/zinc/06/87/60/890068760.db2.gz RNNKPLIQGBUGAJ-SJORKVTESA-N 2 1 371.489 1.606 20 30 FDEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC1 ZINC001077927914 896926030 /nfs/dbraw/zinc/92/60/30/896926030.db2.gz MPTCUANLOGQQAM-WOJBJXKFSA-N 2 1 370.497 1.340 20 30 FDEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC1 ZINC001077927914 896926033 /nfs/dbraw/zinc/92/60/33/896926033.db2.gz MPTCUANLOGQQAM-WOJBJXKFSA-N 2 1 370.497 1.340 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084351936 914152570 /nfs/dbraw/zinc/15/25/70/914152570.db2.gz HERKQPHRPVAJEE-WTGUMLROSA-N 2 1 359.514 1.289 20 30 FDEDMP CC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436294 904902191 /nfs/dbraw/zinc/90/21/91/904902191.db2.gz UPCAGSJEBGYLKV-NLWGTHIKSA-N 2 1 357.502 1.197 20 30 FDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436294 904902198 /nfs/dbraw/zinc/90/21/98/904902198.db2.gz UPCAGSJEBGYLKV-NLWGTHIKSA-N 2 1 357.502 1.197 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796526 905016864 /nfs/dbraw/zinc/01/68/64/905016864.db2.gz ZKAQYCLYLQXFGT-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796526 905016879 /nfs/dbraw/zinc/01/68/79/905016879.db2.gz ZKAQYCLYLQXFGT-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@H](OC)C1 ZINC001081796526 905016895 /nfs/dbraw/zinc/01/68/95/905016895.db2.gz ZKAQYCLYLQXFGT-GUDVDZBRSA-N 2 1 365.518 1.411 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080446721 905450024 /nfs/dbraw/zinc/45/00/24/905450024.db2.gz PNUYNKZWZPWTIN-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001080446721 905450034 /nfs/dbraw/zinc/45/00/34/905450034.db2.gz PNUYNKZWZPWTIN-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001080446721 905450043 /nfs/dbraw/zinc/45/00/43/905450043.db2.gz PNUYNKZWZPWTIN-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001080446721 905450049 /nfs/dbraw/zinc/45/00/49/905450049.db2.gz PNUYNKZWZPWTIN-FRQCXROJSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CCC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001127838642 906574506 /nfs/dbraw/zinc/57/45/06/906574506.db2.gz BNRLTMNORPTFOI-NZSAHSFTSA-N 2 1 369.513 1.230 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(N(C)C)c2)C1 ZINC001082568076 908707573 /nfs/dbraw/zinc/70/75/73/908707573.db2.gz WDZITQZBUVVIGZ-QRQLOZEOSA-N 2 1 369.513 1.182 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(N(C)C)c2)C1 ZINC001082568076 908707580 /nfs/dbraw/zinc/70/75/80/908707580.db2.gz WDZITQZBUVVIGZ-QRQLOZEOSA-N 2 1 369.513 1.182 20 30 FDEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001082807885 910266262 /nfs/dbraw/zinc/26/62/62/910266262.db2.gz IXRBRGFFZVWNHO-TZMCWYRMSA-N 2 1 360.296 1.054 20 30 FDEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC001082808077 910267304 /nfs/dbraw/zinc/26/73/04/910267304.db2.gz TWFAZZYDHCDWJX-VQIMIIECSA-N 2 1 356.470 1.217 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403721 911207805 /nfs/dbraw/zinc/20/78/05/911207805.db2.gz SPAAZHKWPZIYGL-QZTJIDSGSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000998985504 911936650 /nfs/dbraw/zinc/93/66/50/911936650.db2.gz YTSNLCWGZSMMLE-YOODTLSXSA-N 2 1 356.470 1.356 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000998985504 911936653 /nfs/dbraw/zinc/93/66/53/911936653.db2.gz YTSNLCWGZSMMLE-YOODTLSXSA-N 2 1 356.470 1.356 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946587 918662556 /nfs/dbraw/zinc/66/25/56/918662556.db2.gz YXKHCCWDKDNXMR-MNEFBYGVSA-N 2 1 355.486 1.736 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@@H]21 ZINC001084946587 918662561 /nfs/dbraw/zinc/66/25/61/918662561.db2.gz YXKHCCWDKDNXMR-MNEFBYGVSA-N 2 1 355.486 1.736 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946587 918662567 /nfs/dbraw/zinc/66/25/67/918662567.db2.gz YXKHCCWDKDNXMR-MNEFBYGVSA-N 2 1 355.486 1.736 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@@H]21 ZINC001084946587 918662572 /nfs/dbraw/zinc/66/25/72/918662572.db2.gz YXKHCCWDKDNXMR-MNEFBYGVSA-N 2 1 355.486 1.736 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncccn2)CC1 ZINC001085432655 924680087 /nfs/dbraw/zinc/68/00/87/924680087.db2.gz JLIXPJGBOBXIMX-QZTJIDSGSA-N 2 1 355.486 1.339 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129342298 928865078 /nfs/dbraw/zinc/86/50/78/928865078.db2.gz IYPBAWPTRDHWAI-MSOLQXFVSA-N 2 1 360.506 1.318 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](n2ccnn2)C1 ZINC001129342298 928865082 /nfs/dbraw/zinc/86/50/82/928865082.db2.gz IYPBAWPTRDHWAI-MSOLQXFVSA-N 2 1 360.506 1.318 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653420 930027688 /nfs/dbraw/zinc/02/76/88/930027688.db2.gz UULCGJGCWJQCIY-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653420 930027692 /nfs/dbraw/zinc/02/76/92/930027692.db2.gz UULCGJGCWJQCIY-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP CC(C)(C#N)CS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000790015018 933318389 /nfs/dbraw/zinc/31/83/89/933318389.db2.gz SNCYSJHGFFRZOU-UHFFFAOYSA-N 2 1 365.503 1.063 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433729 938423351 /nfs/dbraw/zinc/42/33/51/938423351.db2.gz OOYYAJYXIJWTRN-KURKYZTESA-N 2 1 360.506 1.318 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433729 938423355 /nfs/dbraw/zinc/42/33/55/938423355.db2.gz OOYYAJYXIJWTRN-KURKYZTESA-N 2 1 360.506 1.318 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433729 938423357 /nfs/dbraw/zinc/42/33/57/938423357.db2.gz OOYYAJYXIJWTRN-KURKYZTESA-N 2 1 360.506 1.318 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001129883991 938538500 /nfs/dbraw/zinc/53/85/00/938538500.db2.gz DGSLTBWMCBOUJD-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129899688 938559543 /nfs/dbraw/zinc/55/95/43/938559543.db2.gz GPKJVOXEAQIBHQ-KSZLIROESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130622132 939920828 /nfs/dbraw/zinc/92/08/28/939920828.db2.gz RRIVPVNAYOUFSO-GOEBONIOSA-N 2 1 367.925 1.787 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130622132 939920832 /nfs/dbraw/zinc/92/08/32/939920832.db2.gz RRIVPVNAYOUFSO-GOEBONIOSA-N 2 1 367.925 1.787 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712880 939999977 /nfs/dbraw/zinc/99/99/77/939999977.db2.gz QHCBBPRWOSSLBM-JENIJYKNSA-N 2 1 359.518 1.612 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736995 940038197 /nfs/dbraw/zinc/03/81/97/940038197.db2.gz SYRCHAQPXJXQJI-JENIJYKNSA-N 2 1 361.534 1.999 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131012423 940444126 /nfs/dbraw/zinc/44/41/26/940444126.db2.gz IKZLMQMBVRVUAY-RCCFBDPRSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1c1cncn1C ZINC001131132427 940512426 /nfs/dbraw/zinc/51/24/26/940512426.db2.gz KFRMIXAMDSUDNW-RTBURBONSA-N 2 1 365.481 1.069 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1c1cncn1C ZINC001131132427 940512428 /nfs/dbraw/zinc/51/24/28/940512428.db2.gz KFRMIXAMDSUDNW-RTBURBONSA-N 2 1 365.481 1.069 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001131511964 940693853 /nfs/dbraw/zinc/69/38/53/940693853.db2.gz GFFOXWJZUIHKQF-AABGKKOBSA-N 2 1 361.530 1.870 20 30 FDEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001131606796 940784287 /nfs/dbraw/zinc/78/42/87/940784287.db2.gz GNJAEYRKJQRIMW-QRVBRYPASA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001131606796 940784288 /nfs/dbraw/zinc/78/42/88/940784288.db2.gz GNJAEYRKJQRIMW-QRVBRYPASA-N 2 1 365.518 1.269 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001086720787 941620096 /nfs/dbraw/zinc/62/00/96/941620096.db2.gz OFIHUZRCUCWMPD-UHOSZYNNSA-N 2 1 357.502 1.201 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC001086720787 941620100 /nfs/dbraw/zinc/62/01/00/941620100.db2.gz OFIHUZRCUCWMPD-UHOSZYNNSA-N 2 1 357.502 1.201 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001086721133 941642340 /nfs/dbraw/zinc/64/23/40/941642340.db2.gz IGPZPAJKHXEBSA-ZCNNSNEGSA-N 2 1 361.530 1.775 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC001086721133 941642343 /nfs/dbraw/zinc/64/23/43/941642343.db2.gz IGPZPAJKHXEBSA-ZCNNSNEGSA-N 2 1 361.530 1.775 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894185 971284769 /nfs/dbraw/zinc/28/47/69/971284769.db2.gz WEWWJSPJLISAMP-QZTJIDSGSA-N 2 1 362.518 1.062 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894185 971284777 /nfs/dbraw/zinc/28/47/77/971284777.db2.gz WEWWJSPJLISAMP-QZTJIDSGSA-N 2 1 362.518 1.062 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894185 971284784 /nfs/dbraw/zinc/28/47/84/971284784.db2.gz WEWWJSPJLISAMP-QZTJIDSGSA-N 2 1 362.518 1.062 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001195894185 971284786 /nfs/dbraw/zinc/28/47/86/971284786.db2.gz WEWWJSPJLISAMP-QZTJIDSGSA-N 2 1 362.518 1.062 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001091565460 952090890 /nfs/dbraw/zinc/09/08/90/952090890.db2.gz QJPKACLUODEUNE-DYXWJJEUSA-N 2 1 368.481 1.169 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001091565460 952090894 /nfs/dbraw/zinc/09/08/94/952090894.db2.gz QJPKACLUODEUNE-DYXWJJEUSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001091565460 952090899 /nfs/dbraw/zinc/09/08/99/952090899.db2.gz QJPKACLUODEUNE-DYXWJJEUSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@]3(C)C2)C1 ZINC001091565460 952090900 /nfs/dbraw/zinc/09/09/00/952090900.db2.gz QJPKACLUODEUNE-DYXWJJEUSA-N 2 1 368.481 1.169 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC3CCOCC3)C[C@@]2(C)C1 ZINC001091749561 952789307 /nfs/dbraw/zinc/78/93/07/952789307.db2.gz NFGURCZKAZOOTN-DYXWJJEUSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC3CCOCC3)C[C@@]2(C)C1 ZINC001091749561 952789310 /nfs/dbraw/zinc/78/93/10/952789310.db2.gz NFGURCZKAZOOTN-DYXWJJEUSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CCOCC3)C[C@@]2(C)C1 ZINC001091749561 952789314 /nfs/dbraw/zinc/78/93/14/952789314.db2.gz NFGURCZKAZOOTN-DYXWJJEUSA-N 2 1 359.514 1.291 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC3CCOCC3)C[C@@]2(C)C1 ZINC001091749561 952789315 /nfs/dbraw/zinc/78/93/15/952789315.db2.gz NFGURCZKAZOOTN-DYXWJJEUSA-N 2 1 359.514 1.291 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1c1cnn(C)c1 ZINC001086979781 952993476 /nfs/dbraw/zinc/99/34/76/952993476.db2.gz RNBFUDWIUGVNRE-BPQIPLTHSA-N 2 1 370.501 1.900 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086983039 952996619 /nfs/dbraw/zinc/99/66/19/952996619.db2.gz SPNWDQURDGIYAU-CEXWTWQISA-N 2 1 359.518 1.755 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000005 953048507 /nfs/dbraw/zinc/04/85/07/953048507.db2.gz BKEXOMLNFYOBLF-ZWKOTPCHSA-N 2 1 368.485 1.348 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009782 953099197 /nfs/dbraw/zinc/09/91/97/953099197.db2.gz YFXKETRJHPMPSL-VNQPRFMTSA-N 2 1 351.882 1.008 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009782 953099203 /nfs/dbraw/zinc/09/92/03/953099203.db2.gz YFXKETRJHPMPSL-VNQPRFMTSA-N 2 1 351.882 1.008 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4ccn(C)n4)C[C@@]3(C)C2)CC1 ZINC001092300043 954747918 /nfs/dbraw/zinc/74/79/18/954747918.db2.gz QLMMBSJTVZXTHQ-NQIIRXRSSA-N 2 1 369.513 1.046 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ccn(C)n4)C[C@@]3(C)C2)CC1 ZINC001092300043 954747928 /nfs/dbraw/zinc/74/79/28/954747928.db2.gz QLMMBSJTVZXTHQ-NQIIRXRSSA-N 2 1 369.513 1.046 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504656 955276403 /nfs/dbraw/zinc/27/64/03/955276403.db2.gz WANHWARFZFPRRT-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504656 955276409 /nfs/dbraw/zinc/27/64/09/955276409.db2.gz WANHWARFZFPRRT-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504656 955276415 /nfs/dbraw/zinc/27/64/15/955276415.db2.gz WANHWARFZFPRRT-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2C)CC1 ZINC001093223915 957854395 /nfs/dbraw/zinc/85/43/95/957854395.db2.gz JGXBZWZZJKYSEF-WSTZPKSXSA-N 2 1 361.530 1.442 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)cs2)[C@H](C)C1 ZINC001093833069 958927212 /nfs/dbraw/zinc/92/72/12/958927212.db2.gz PRSPENZNJBGLLI-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)cs2)[C@H](C)C1 ZINC001093833069 958927218 /nfs/dbraw/zinc/92/72/18/958927218.db2.gz PRSPENZNJBGLLI-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C=CCN1CCN(C)C2(CC[NH+]([C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC001172117144 961497304 /nfs/dbraw/zinc/49/73/04/961497304.db2.gz OXMVBSIUMKIGMD-BWTSREIZSA-N 2 1 360.546 1.796 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188898 963272640 /nfs/dbraw/zinc/27/26/40/963272640.db2.gz VDKGSZUJABAVEJ-SQNIBIBYSA-N 2 1 362.518 1.276 20 30 FDEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110188898 963272655 /nfs/dbraw/zinc/27/26/55/963272655.db2.gz VDKGSZUJABAVEJ-SQNIBIBYSA-N 2 1 362.518 1.276 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178730792 964396957 /nfs/dbraw/zinc/39/69/57/964396957.db2.gz DEIYAQSENYIGQJ-XDNAFOTISA-N 2 1 364.534 1.330 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3C)[C@@H]2C1 ZINC001188405863 966300295 /nfs/dbraw/zinc/30/02/95/966300295.db2.gz QZDIAWGPGUOPJJ-QFBILLFUSA-N 2 1 354.454 1.992 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188963147 966676091 /nfs/dbraw/zinc/67/60/91/966676091.db2.gz KQZKJBRDGCLFIQ-ZWKOTPCHSA-N 2 1 362.518 1.062 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189182178 966808660 /nfs/dbraw/zinc/80/86/60/966808660.db2.gz RBQDGVHTJRISHM-CEXWTWQISA-N 2 1 365.518 1.223 20 30 FDEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189471588 966984750 /nfs/dbraw/zinc/98/47/50/966984750.db2.gz WSUFUHRBFJGXME-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189471588 966984755 /nfs/dbraw/zinc/98/47/55/966984755.db2.gz WSUFUHRBFJGXME-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454943 975055650 /nfs/dbraw/zinc/05/56/50/975055650.db2.gz VSBBKNFWTYVWCL-AQNXPRMDSA-N 2 1 357.498 1.725 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000884135673 982918770 /nfs/dbraw/zinc/91/87/70/982918770.db2.gz QORDRLNJBGUNPZ-INIZCTEOSA-N 2 1 350.507 1.273 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000884135673 982918773 /nfs/dbraw/zinc/91/87/73/982918773.db2.gz QORDRLNJBGUNPZ-INIZCTEOSA-N 2 1 350.507 1.273 20 30 FDEDMP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000367461897 988951865 /nfs/dbraw/zinc/95/18/65/988951865.db2.gz BZTQTTLLQQQMNP-GXRSIYKFSA-N 3 1 358.574 1.822 20 30 FDEDMP COCC[N@@H+](C[C@H](O)COc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC000879126641 994561516 /nfs/dbraw/zinc/56/15/16/994561516.db2.gz LYIJPAXHCHKUPL-IBGZPJMESA-N 2 1 361.486 1.588 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000264068723 997395114 /nfs/dbraw/zinc/39/51/14/997395114.db2.gz CJZJUNLGJPNGPO-ZWKOTPCHSA-N 2 1 373.501 1.693 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(OC2CCCC2)nc1 ZINC000264087946 997399562 /nfs/dbraw/zinc/39/95/62/997399562.db2.gz KACSORNVXUMXAB-UHFFFAOYSA-N 2 1 361.490 1.530 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000890376994 998921352 /nfs/dbraw/zinc/92/13/52/998921352.db2.gz FPJGEZQAZXCOBM-KRWDZBQOSA-N 2 1 358.486 1.983 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000890376994 998921355 /nfs/dbraw/zinc/92/13/55/998921355.db2.gz FPJGEZQAZXCOBM-KRWDZBQOSA-N 2 1 358.486 1.983 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267416844 999329863 /nfs/dbraw/zinc/32/98/63/999329863.db2.gz JMWHNCDWZZQLCH-IBGZPJMESA-N 3 1 373.545 1.532 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000928648730 1001607293 /nfs/dbraw/zinc/60/72/93/1001607293.db2.gz QVFIAYXCGZKBDI-UXHICEINSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000931000998 1003757526 /nfs/dbraw/zinc/75/75/26/1003757526.db2.gz SPQFWCVNIVGAEG-KRWDZBQOSA-N 2 1 374.529 1.066 20 30 FDEDMP C#CC1(O)CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000931148074 1003924108 /nfs/dbraw/zinc/92/41/08/1003924108.db2.gz PVCSZANRSMCZOZ-PKOBYXMFSA-N 2 1 355.482 1.226 20 30 FDEDMP C#CC1(O)CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000931148074 1003924110 /nfs/dbraw/zinc/92/41/10/1003924110.db2.gz PVCSZANRSMCZOZ-PKOBYXMFSA-N 2 1 355.482 1.226 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000959957784 1009199068 /nfs/dbraw/zinc/19/90/68/1009199068.db2.gz UTSVSPBJPOVLQN-SLHNCBLASA-N 2 1 361.530 1.746 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC000959973871 1009236357 /nfs/dbraw/zinc/23/63/57/1009236357.db2.gz NLNGIORFLXDGSG-REPJOTQGSA-N 2 1 368.481 1.453 20 30 FDEDMP COc1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N ZINC000959973871 1009236361 /nfs/dbraw/zinc/23/63/61/1009236361.db2.gz NLNGIORFLXDGSG-REPJOTQGSA-N 2 1 368.481 1.453 20 30 FDEDMP COc1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC000959973871 1009236371 /nfs/dbraw/zinc/23/63/71/1009236371.db2.gz NLNGIORFLXDGSG-REPJOTQGSA-N 2 1 368.481 1.453 20 30 FDEDMP CC[NH+](CC)[C@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccccc1 ZINC000303690763 1009521246 /nfs/dbraw/zinc/52/12/46/1009521246.db2.gz AAXDFXGWSBDZCN-LJQANCHMSA-N 2 1 361.534 1.567 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000303902487 1009685440 /nfs/dbraw/zinc/68/54/40/1009685440.db2.gz UBNWLGOTEQLSJK-HXUWFJFHSA-N 3 1 372.561 1.587 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCN(c2ccccc2)CC1 ZINC000303902487 1009685451 /nfs/dbraw/zinc/68/54/51/1009685451.db2.gz UBNWLGOTEQLSJK-HXUWFJFHSA-N 2 1 372.561 1.587 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCN(c2ccccc2)CC1 ZINC000303902487 1009685460 /nfs/dbraw/zinc/68/54/60/1009685460.db2.gz UBNWLGOTEQLSJK-HXUWFJFHSA-N 2 1 372.561 1.587 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000268108252 674083229 /nfs/dbraw/zinc/08/32/29/674083229.db2.gz YJPSXCTWORCELT-UHFFFAOYSA-N 2 1 355.826 1.375 20 30 FDEDMP N#Cc1ccc(CN2CCC([NH2+]CCC[NH+]3CCC(O)CC3)CC2)cc1 ZINC000181560886 174232416 /nfs/dbraw/zinc/23/24/16/174232416.db2.gz QTUHHRORWDJJEU-UHFFFAOYSA-N 2 1 356.514 1.959 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000557731212 544337596 /nfs/dbraw/zinc/33/75/96/544337596.db2.gz COMUJHKPOHUMEO-QGZVFWFLSA-N 2 1 364.534 1.237 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958280 523099419 /nfs/dbraw/zinc/09/94/19/523099419.db2.gz GESLWBQKXHWTCE-VQIMIIECSA-N 2 1 350.507 1.474 20 30 FDEDMP CN1CCN([C@@H]2CCCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000174889737 524780992 /nfs/dbraw/zinc/78/09/92/524780992.db2.gz YEVBRNSNBLFRGP-HXUWFJFHSA-N 2 1 369.513 1.989 20 30 FDEDMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000174889737 524781004 /nfs/dbraw/zinc/78/10/04/524781004.db2.gz YEVBRNSNBLFRGP-HXUWFJFHSA-N 2 1 369.513 1.989 20 30 FDEDMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000174889737 524781014 /nfs/dbraw/zinc/78/10/14/524781014.db2.gz YEVBRNSNBLFRGP-HXUWFJFHSA-N 2 1 369.513 1.989 20 30 FDEDMP CCCC(=O)Nc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000104170484 525397448 /nfs/dbraw/zinc/39/74/48/525397448.db2.gz JUXGNRMCJDNSGE-UHFFFAOYSA-N 2 1 361.490 1.552 20 30 FDEDMP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000131575038 525875240 /nfs/dbraw/zinc/87/52/40/525875240.db2.gz QZODQRHKUBGRCJ-UYAOXDASSA-N 2 1 360.498 1.809 20 30 FDEDMP CN(CCC#N)C(=O)CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286694 536288840 /nfs/dbraw/zinc/28/88/40/536288840.db2.gz ZFPGPHDDNHPNHR-FQEVSTJZSA-N 2 1 358.486 1.317 20 30 FDEDMP CN(CCC#N)C(=O)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188286694 536288841 /nfs/dbraw/zinc/28/88/41/536288841.db2.gz ZFPGPHDDNHPNHR-FQEVSTJZSA-N 2 1 358.486 1.317 20 30 FDEDMP CN(CCC#N)C(=O)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188286694 536288842 /nfs/dbraw/zinc/28/88/42/536288842.db2.gz ZFPGPHDDNHPNHR-FQEVSTJZSA-N 2 1 358.486 1.317 20 30 FDEDMP CN(CCC#N)C(=O)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188286694 536288843 /nfs/dbraw/zinc/28/88/43/536288843.db2.gz ZFPGPHDDNHPNHR-FQEVSTJZSA-N 2 1 358.486 1.317 20 30 FDEDMP C[NH+]=C(NCc1c(C)nn(C)c1C)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000262859640 536922599 /nfs/dbraw/zinc/92/25/99/536922599.db2.gz YYRLUNBSFPBGCQ-UHFFFAOYSA-N 2 1 366.473 1.791 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(OCC(F)(F)F)c1 ZINC000264055015 537136789 /nfs/dbraw/zinc/13/67/89/537136789.db2.gz AHLUZSAPMWBPMQ-UHFFFAOYSA-N 2 1 374.407 1.754 20 30 FDEDMP CCCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1OC ZINC000264106145 537137867 /nfs/dbraw/zinc/13/78/67/537137867.db2.gz PNUSBFQRBKITKK-UHFFFAOYSA-N 2 1 364.490 1.611 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1CN1CCCC1=O ZINC000264106111 537137937 /nfs/dbraw/zinc/13/79/37/537137937.db2.gz PLBPPWDPOKZHBC-SFHVURJKSA-N 2 1 357.502 1.698 20 30 FDEDMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)C[C@H](C)O1 ZINC000574277794 550287634 /nfs/dbraw/zinc/28/76/34/550287634.db2.gz OSWWCTBTEBEALM-HOTGVXAUSA-N 2 1 368.485 1.922 20 30 FDEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148920 551949666 /nfs/dbraw/zinc/94/96/66/551949666.db2.gz FFGQCGJWVDDDEL-UTKZUKDTSA-N 2 1 370.497 1.506 20 30 FDEDMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148920 551949667 /nfs/dbraw/zinc/94/96/67/551949667.db2.gz FFGQCGJWVDDDEL-UTKZUKDTSA-N 2 1 370.497 1.506 20 30 FDEDMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000592957578 552048708 /nfs/dbraw/zinc/04/87/08/552048708.db2.gz PEBSHQCBDFPSGR-KRWDZBQOSA-N 2 1 357.458 1.424 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000594437894 552309862 /nfs/dbraw/zinc/30/98/62/552309862.db2.gz LJEDHOXWLZDNQB-FUHWJXTLSA-N 2 1 371.485 1.734 20 30 FDEDMP N#CC1(C[C@H](O)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCOCC1 ZINC000600719556 553306798 /nfs/dbraw/zinc/30/67/98/553306798.db2.gz CGEXVOVYDRKAOK-KRWDZBQOSA-N 2 1 351.491 1.292 20 30 FDEDMP CC(C)[C@H](C#N)N1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602794113 553640170 /nfs/dbraw/zinc/64/01/70/553640170.db2.gz FNWIVHNFYCYSDK-SFTDATJTSA-N 2 1 356.514 1.789 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[N@H+]1C1CC1)CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000620749886 555979198 /nfs/dbraw/zinc/97/91/98/555979198.db2.gz QWPPHGSZCAQOJS-HDICACEKSA-N 2 1 360.502 1.029 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000620749886 555979201 /nfs/dbraw/zinc/97/92/01/555979201.db2.gz QWPPHGSZCAQOJS-HDICACEKSA-N 2 1 360.502 1.029 20 30 FDEDMP C=C(CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000620749886 555979203 /nfs/dbraw/zinc/97/92/03/555979203.db2.gz QWPPHGSZCAQOJS-HDICACEKSA-N 2 1 360.502 1.029 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000104167998 671594710 /nfs/dbraw/zinc/59/47/10/671594710.db2.gz YCQSBHCIXCFQRP-LSDHHAIUSA-N 2 1 353.511 1.632 20 30 FDEDMP CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262439891 672789913 /nfs/dbraw/zinc/78/99/13/672789913.db2.gz UKKXABXDRDBBII-MGNMYUMUSA-N 2 1 370.563 1.380 20 30 FDEDMP CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262441871 672790266 /nfs/dbraw/zinc/79/02/66/672790266.db2.gz UTEBBCQKCJYZHP-MGNMYUMUSA-N 2 1 370.563 1.382 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccncc1OCC(F)(F)F ZINC000280887616 675467174 /nfs/dbraw/zinc/46/71/74/675467174.db2.gz BNXSJCZVLZGRBJ-CYBMUJFWSA-N 2 1 359.396 1.911 20 30 FDEDMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C[N@H+]1C1CC1 ZINC000328614783 676600012 /nfs/dbraw/zinc/60/00/12/676600012.db2.gz RIGYUNKLDSLHNS-HZPDHXFCSA-N 2 1 350.507 1.760 20 30 FDEDMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330215623 676679099 /nfs/dbraw/zinc/67/90/99/676679099.db2.gz HEKXZVREUIDGNI-CGTJXYLNSA-N 2 1 352.523 1.552 20 30 FDEDMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330292534 676683265 /nfs/dbraw/zinc/68/32/65/676683265.db2.gz DIAIOCVZXOJRSR-BZZMCLGOSA-N 2 1 352.523 1.550 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000469793324 684986456 /nfs/dbraw/zinc/98/64/56/684986456.db2.gz CXOWDEPZVBZNLX-IKGGRYGDSA-N 2 1 350.507 1.664 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)NC2(C#N)CCC2)[C@H](C)C1 ZINC000469793324 684986459 /nfs/dbraw/zinc/98/64/59/684986459.db2.gz CXOWDEPZVBZNLX-IKGGRYGDSA-N 2 1 350.507 1.664 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC(C)C)C1 ZINC001104305994 774438102 /nfs/dbraw/zinc/43/81/02/774438102.db2.gz FHAHIQFEAMWZRL-AQNXPRMDSA-N 2 1 363.546 1.831 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCC(C)C)C1 ZINC001104305994 774438110 /nfs/dbraw/zinc/43/81/10/774438110.db2.gz FHAHIQFEAMWZRL-AQNXPRMDSA-N 2 1 363.546 1.831 20 30 FDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518279 783600307 /nfs/dbraw/zinc/60/03/07/783600307.db2.gz AQPYDPZWNQGXSR-WFXMLNOXSA-N 2 1 354.498 1.996 20 30 FDEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@H]2C1 ZINC001083289191 792931772 /nfs/dbraw/zinc/93/17/72/792931772.db2.gz XBJNREKTHUWXRD-PKOBYXMFSA-N 2 1 359.470 1.670 20 30 FDEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccc(C[NH+](CC)CC)o3)[C@H]2C1 ZINC001083289191 792931776 /nfs/dbraw/zinc/93/17/76/792931776.db2.gz XBJNREKTHUWXRD-PKOBYXMFSA-N 2 1 359.470 1.670 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726266 809404479 /nfs/dbraw/zinc/40/44/79/809404479.db2.gz SWRORGASOIUBOC-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726266 809404482 /nfs/dbraw/zinc/40/44/82/809404482.db2.gz SWRORGASOIUBOC-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261613187 811285482 /nfs/dbraw/zinc/28/54/82/811285482.db2.gz AKWWEHBZXCREMA-XUVXKRRUSA-N 2 1 356.514 1.847 20 30 FDEDMP C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000261935030 811347539 /nfs/dbraw/zinc/34/75/39/811347539.db2.gz CEYXMFCRXMDHTN-WBVHZDCISA-N 2 1 367.501 1.552 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261950655 811351869 /nfs/dbraw/zinc/35/18/69/811351869.db2.gz HFULITKRKZSQSN-LPHOPBHVSA-N 2 1 371.529 1.465 20 30 FDEDMP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261957613 817672632 /nfs/dbraw/zinc/67/26/32/817672632.db2.gz JEPMQMZFLJTSIW-XLMAVXFVSA-N 2 1 365.566 1.522 20 30 FDEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000522305337 822379282 /nfs/dbraw/zinc/37/92/82/822379282.db2.gz GDEIYMBHIKKOJQ-SFHVURJKSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000329765121 825436423 /nfs/dbraw/zinc/43/64/23/825436423.db2.gz WPFVIRCMLBZPLT-BPIHKTFHSA-N 2 1 366.550 1.940 20 30 FDEDMP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@H](C[NH+]3CCOCC3)C2)C12CCC2 ZINC000262355661 825764461 /nfs/dbraw/zinc/76/44/61/825764461.db2.gz FVDURWDOCWBWPE-FGTMMUONSA-N 2 1 364.534 1.564 20 30 FDEDMP C#CCC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1 ZINC001088234463 827598075 /nfs/dbraw/zinc/59/80/75/827598075.db2.gz SMYBJGXBTSPWDX-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001088234463 827598085 /nfs/dbraw/zinc/59/80/85/827598085.db2.gz SMYBJGXBTSPWDX-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001088234463 827598098 /nfs/dbraw/zinc/59/80/98/827598098.db2.gz SMYBJGXBTSPWDX-MISYRCLQSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001105429394 831858105 /nfs/dbraw/zinc/85/81/05/831858105.db2.gz YVQRKFLPSYBWNS-RQGSJKACSA-N 2 1 369.509 1.535 20 30 FDEDMP C#CCC[NH2+]C[C@@]1(c2ccccc2)C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001105429394 831858113 /nfs/dbraw/zinc/85/81/13/831858113.db2.gz YVQRKFLPSYBWNS-RQGSJKACSA-N 2 1 369.509 1.535 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CCC)[C@H]2C(C)C)C[C@H]1O ZINC001105668096 843755059 /nfs/dbraw/zinc/75/50/59/843755059.db2.gz HLIKSZJSAJMYJZ-QCFAMHMHSA-N 2 1 363.546 1.708 20 30 FDEDMP CN1CC[N@H+](C)CC(C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000905555338 852030855 /nfs/dbraw/zinc/03/08/55/852030855.db2.gz UBLFBWPVVHLFMF-UHFFFAOYSA-N 2 1 369.513 1.086 20 30 FDEDMP CN1CC[N@@H+](C)CC(C(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000905555338 852030864 /nfs/dbraw/zinc/03/08/64/852030864.db2.gz UBLFBWPVVHLFMF-UHFFFAOYSA-N 2 1 369.513 1.086 20 30 FDEDMP CN1CC[NH+](C)CC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000905555338 852030871 /nfs/dbraw/zinc/03/08/71/852030871.db2.gz UBLFBWPVVHLFMF-UHFFFAOYSA-N 2 1 369.513 1.086 20 30 FDEDMP CN1CC[NH+](C)CC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000905555338 852030877 /nfs/dbraw/zinc/03/08/77/852030877.db2.gz UBLFBWPVVHLFMF-UHFFFAOYSA-N 2 1 369.513 1.086 20 30 FDEDMP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](C(N)=O)c3ccc(C#N)cc3)cc2)CC1 ZINC000905788872 852258541 /nfs/dbraw/zinc/25/85/41/852258541.db2.gz NHDYSOJSBBQRMB-HXUWFJFHSA-N 2 1 363.465 1.626 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001089040102 866226072 /nfs/dbraw/zinc/22/60/72/866226072.db2.gz YUGJBYLSMLGTTG-APWZRJJASA-N 2 1 356.470 1.764 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CC[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC001089040102 866226087 /nfs/dbraw/zinc/22/60/87/866226087.db2.gz YUGJBYLSMLGTTG-APWZRJJASA-N 2 1 356.470 1.764 20 30 FDEDMP C#CCN(C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)C1CC[NH+](C)CC1 ZINC000913921621 869999436 /nfs/dbraw/zinc/99/94/36/869999436.db2.gz UKQHVJZAGTXXQU-GOSISDBHSA-N 2 1 350.507 1.082 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)CC1 ZINC000914192958 871744218 /nfs/dbraw/zinc/74/42/18/871744218.db2.gz MQWHDMCKKDTHQV-OAHLLOKOSA-N 2 1 360.527 1.892 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)CC1 ZINC000914192958 871744231 /nfs/dbraw/zinc/74/42/31/871744231.db2.gz MQWHDMCKKDTHQV-OAHLLOKOSA-N 2 1 360.527 1.892 20 30 FDEDMP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719833 873552001 /nfs/dbraw/zinc/55/20/01/873552001.db2.gz YOELXNUDNJSMCP-ZCNNSNEGSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719833 873552008 /nfs/dbraw/zinc/55/20/08/873552008.db2.gz YOELXNUDNJSMCP-ZCNNSNEGSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719833 873552015 /nfs/dbraw/zinc/55/20/15/873552015.db2.gz YOELXNUDNJSMCP-ZCNNSNEGSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083719833 873552026 /nfs/dbraw/zinc/55/20/26/873552026.db2.gz YOELXNUDNJSMCP-ZCNNSNEGSA-N 2 1 370.497 1.342 20 30 FDEDMP C#CCN(C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000922201240 873696008 /nfs/dbraw/zinc/69/60/08/873696008.db2.gz JMNRJTSGZIRTPN-QGZVFWFLSA-N 2 1 350.507 1.226 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765578 877639998 /nfs/dbraw/zinc/63/99/98/877639998.db2.gz JMEMDZNWVZMGLF-NVXWUHKLSA-N 2 1 357.926 1.926 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)CC1 ZINC000922414713 878102689 /nfs/dbraw/zinc/10/26/89/878102689.db2.gz YJGVSZCEJTVAKN-QFBILLFUSA-N 2 1 372.517 1.200 20 30 FDEDMP CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034209868 883934860 /nfs/dbraw/zinc/93/48/60/883934860.db2.gz LGRATJKPDFAUEB-AQNXPRMDSA-N 2 1 361.530 1.727 20 30 FDEDMP C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001034325193 884194847 /nfs/dbraw/zinc/19/48/47/884194847.db2.gz ZEFKUIAMVOQLDY-OTWHNJEPSA-N 2 1 365.518 1.413 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001129054711 885588329 /nfs/dbraw/zinc/58/83/29/885588329.db2.gz KRDSBSPZXOIKMZ-KSZLIROESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054711 885588338 /nfs/dbraw/zinc/58/83/38/885588338.db2.gz KRDSBSPZXOIKMZ-KSZLIROESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001129054711 885588354 /nfs/dbraw/zinc/58/83/54/885588354.db2.gz KRDSBSPZXOIKMZ-KSZLIROESA-N 2 1 360.506 1.460 20 30 FDEDMP C[NH+]1CCC([NH+]2CCC(CCNc3ncc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000371884142 887593672 /nfs/dbraw/zinc/59/36/72/887593672.db2.gz MTKBMWFHUHMXJW-UHFFFAOYSA-N 2 1 372.473 2.470 20 30 FDEDMP N#Cc1ccccc1OC[C@@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000923351525 888986526 /nfs/dbraw/zinc/98/65/26/888986526.db2.gz UBEZMVCRGSNVFW-AABGKKOBSA-N 2 1 351.450 1.972 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000921992452 893919920 /nfs/dbraw/zinc/91/99/20/893919920.db2.gz WDLSHTJNCQXBIC-YLJYHZDGSA-N 2 1 354.498 1.904 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@H]2O)CC1 ZINC001078227051 898427334 /nfs/dbraw/zinc/42/73/34/898427334.db2.gz GZWZGUVVSFSYAX-NSISKUIASA-N 2 1 355.482 1.254 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001078405096 898746229 /nfs/dbraw/zinc/74/62/29/898746229.db2.gz DXKZSIRSINXRGS-NSISKUIASA-N 2 1 370.497 1.606 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129300754 900978173 /nfs/dbraw/zinc/97/81/73/900978173.db2.gz GIAPSLBOQVQKLK-MSOLQXFVSA-N 2 1 360.506 1.318 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260681 902299213 /nfs/dbraw/zinc/29/92/13/902299213.db2.gz KFGIGUZOCSCJOP-GBESFXJTSA-N 2 1 359.514 1.433 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710539 903120422 /nfs/dbraw/zinc/12/04/22/903120422.db2.gz MPBSNBPLFAUKQP-HEFCMCLBSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710539 903120431 /nfs/dbraw/zinc/12/04/31/903120431.db2.gz MPBSNBPLFAUKQP-HEFCMCLBSA-N 2 1 370.472 1.976 20 30 FDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000996710206 904850010 /nfs/dbraw/zinc/85/00/10/904850010.db2.gz AFHMSCFTMVFSAA-TZMCWYRMSA-N 2 1 360.296 1.195 20 30 FDEDMP C=C(Br)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000996710206 904850026 /nfs/dbraw/zinc/85/00/26/904850026.db2.gz AFHMSCFTMVFSAA-TZMCWYRMSA-N 2 1 360.296 1.195 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001107645439 906172881 /nfs/dbraw/zinc/17/28/81/906172881.db2.gz YRTYMWRTCSHANG-TZIWHRDSSA-N 2 1 361.530 1.873 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001082568037 908706669 /nfs/dbraw/zinc/70/66/69/908706669.db2.gz UBIFDZOXIABCLP-YSGRDPCXSA-N 2 1 368.456 1.731 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001082568037 908706683 /nfs/dbraw/zinc/70/66/83/908706683.db2.gz UBIFDZOXIABCLP-YSGRDPCXSA-N 2 1 368.456 1.731 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082920175 910890192 /nfs/dbraw/zinc/89/01/92/910890192.db2.gz UCHLKXPYOXSXKD-HHXXYDBFSA-N 2 1 356.470 1.477 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](C[C@H]4CCOC4)[C@H]3C2)CC1 ZINC001085100584 920914019 /nfs/dbraw/zinc/91/40/19/920914019.db2.gz OYESSROOVSGBAB-GGPKGHCWSA-N 2 1 359.514 1.291 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CCC)C2 ZINC001110019447 931120933 /nfs/dbraw/zinc/12/09/33/931120933.db2.gz XYNURSPELABSAP-NCOADZHNSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CCC)C2 ZINC001110019447 931120936 /nfs/dbraw/zinc/12/09/36/931120936.db2.gz XYNURSPELABSAP-NCOADZHNSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019447 931120940 /nfs/dbraw/zinc/12/09/40/931120940.db2.gz XYNURSPELABSAP-NCOADZHNSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CCC)C2 ZINC001110019447 931120946 /nfs/dbraw/zinc/12/09/46/931120946.db2.gz XYNURSPELABSAP-NCOADZHNSA-N 2 1 350.507 1.131 20 30 FDEDMP C=CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001086588556 933622355 /nfs/dbraw/zinc/62/23/55/933622355.db2.gz AVZXWCJPVJRDMO-AZUAARDMSA-N 2 1 367.497 1.829 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n2ccnn2)C1 ZINC001129898363 938558880 /nfs/dbraw/zinc/55/88/80/938558880.db2.gz RRMKKOLUWPHEFS-PEHGNSNYSA-N 2 1 370.501 1.074 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC/C=C/CC)[C@@H](n2ccnn2)C1 ZINC001129898363 938558881 /nfs/dbraw/zinc/55/88/81/938558881.db2.gz RRMKKOLUWPHEFS-PEHGNSNYSA-N 2 1 370.501 1.074 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137423 938710553 /nfs/dbraw/zinc/71/05/53/938710553.db2.gz YSNHWPWLTIWJEK-MSOLQXFVSA-N 2 1 362.522 1.706 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130590184 939896292 /nfs/dbraw/zinc/89/62/92/939896292.db2.gz DBTKETGGWWOCTD-UHOSZYNNSA-N 2 1 357.502 1.200 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130594799 939902074 /nfs/dbraw/zinc/90/20/74/939902074.db2.gz ZMXBBZUBOBKARC-VXIBKDFQSA-N 2 1 359.518 1.611 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131089725 940495041 /nfs/dbraw/zinc/49/50/41/940495041.db2.gz WNWBTXBNNKGBTF-QZTJIDSGSA-N 2 1 370.501 1.866 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cncn1C ZINC001131101038 940500339 /nfs/dbraw/zinc/50/03/39/940500339.db2.gz JLCTVVOSYQBKEM-HUUCEWRRSA-N 2 1 353.898 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cncn1C ZINC001131101038 940500340 /nfs/dbraw/zinc/50/03/40/940500340.db2.gz JLCTVVOSYQBKEM-HUUCEWRRSA-N 2 1 353.898 1.398 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC001131564506 940740500 /nfs/dbraw/zinc/74/05/00/940740500.db2.gz MLJSXHHLRFAENK-QUCCMNQESA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC001086720745 941619527 /nfs/dbraw/zinc/61/95/27/941619527.db2.gz LWSFTPZFDIMGAJ-NSHGMRRFSA-N 2 1 354.498 1.862 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC001086720745 941619530 /nfs/dbraw/zinc/61/95/30/941619530.db2.gz LWSFTPZFDIMGAJ-NSHGMRRFSA-N 2 1 354.498 1.862 20 30 FDEDMP C[NH+]1CCC[C@@]2(CCN(CC#CCN3CC[C@@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815144044 941791516 /nfs/dbraw/zinc/79/15/16/941791516.db2.gz RTKDOUGCPNOYJN-SZPZYZBQSA-N 2 1 358.574 1.825 20 30 FDEDMP C[NH+]1CCC[C@]2(CCN(CC#CCN3CC[C@]4(C3)CCC[N@H+](C)C4)C2)C1 ZINC000815144044 941791521 /nfs/dbraw/zinc/79/15/21/941791521.db2.gz RTKDOUGCPNOYJN-SZPZYZBQSA-N 2 1 358.574 1.825 20 30 FDEDMP C[NH+]1CCC[C@]2(CCN(CC#CCN3CC[C@]4(C3)CCC[N@@H+](C)C4)C2)C1 ZINC000815144044 941791524 /nfs/dbraw/zinc/79/15/24/941791524.db2.gz RTKDOUGCPNOYJN-SZPZYZBQSA-N 2 1 358.574 1.825 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000815860251 941996353 /nfs/dbraw/zinc/99/63/53/941996353.db2.gz CSYYDXZTADQBPB-KRWDZBQOSA-N 2 1 372.469 1.082 20 30 FDEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C1CCOCC1 ZINC000823181823 945523022 /nfs/dbraw/zinc/52/30/22/945523022.db2.gz PAHKSOMGEZSPKT-MOPGFXCFSA-N 2 1 364.534 1.472 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001091036165 948536576 /nfs/dbraw/zinc/53/65/76/948536576.db2.gz XHZSYDSHFPTJII-CNXCKVANSA-N 2 1 370.497 1.914 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196251586 971569236 /nfs/dbraw/zinc/56/92/36/971569236.db2.gz LEJLBEJTGAGSIR-IPMKNSEASA-N 2 1 369.550 1.619 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196300037 971614908 /nfs/dbraw/zinc/61/49/08/971614908.db2.gz QPNUJQFPRKWOHT-IYWMVGAKSA-N 2 1 357.498 1.459 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196300037 971614913 /nfs/dbraw/zinc/61/49/13/971614913.db2.gz QPNUJQFPRKWOHT-IYWMVGAKSA-N 2 1 357.498 1.459 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196300037 971614917 /nfs/dbraw/zinc/61/49/17/971614917.db2.gz QPNUJQFPRKWOHT-IYWMVGAKSA-N 2 1 357.498 1.459 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982230 952994882 /nfs/dbraw/zinc/99/48/82/952994882.db2.gz ABQDUMPKSCGDID-CEXWTWQISA-N 2 1 359.518 1.753 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001087011153 953103191 /nfs/dbraw/zinc/10/31/91/953103191.db2.gz HRXVZTFXUSUONL-XUVXKRRUSA-N 2 1 365.481 1.240 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@]3(C)C2)CC1 ZINC001092299975 954747282 /nfs/dbraw/zinc/74/72/82/954747282.db2.gz MAKXLVHGSMQUHK-DSKINZAPSA-N 2 1 359.514 1.148 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001092614636 955821377 /nfs/dbraw/zinc/82/13/77/955821377.db2.gz MTQNNYNPDRPDHS-UKRRQHHQSA-N 2 1 353.898 1.495 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cncc(F)c2)C[C@H]1C ZINC001092688802 956192898 /nfs/dbraw/zinc/19/28/98/956192898.db2.gz ASQHFNXYUXGNSN-SUMDDJOVSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cncc(F)c2)C[C@H]1C ZINC001092688802 956192908 /nfs/dbraw/zinc/19/29/08/956192908.db2.gz ASQHFNXYUXGNSN-SUMDDJOVSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@H]1C ZINC001092688802 956192912 /nfs/dbraw/zinc/19/29/12/956192912.db2.gz ASQHFNXYUXGNSN-SUMDDJOVSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cncc(F)c2)C[C@H]1C ZINC001092688802 956192922 /nfs/dbraw/zinc/19/29/22/956192922.db2.gz ASQHFNXYUXGNSN-SUMDDJOVSA-N 2 1 358.461 1.502 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnc(C)cn3)C[C@H]2C)CC1 ZINC001093223601 957853013 /nfs/dbraw/zinc/85/30/13/957853013.db2.gz CISSNHSDINXNSB-VQIMIIECSA-N 2 1 369.513 1.314 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2C)CC1 ZINC001093224484 957855774 /nfs/dbraw/zinc/85/57/74/957855774.db2.gz YQMRYUZCKYPSOU-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001093691225 958553345 /nfs/dbraw/zinc/55/33/45/958553345.db2.gz NTJGTZVUENMQCE-CPUCHLNUSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001093691225 958553360 /nfs/dbraw/zinc/55/33/60/958553360.db2.gz NTJGTZVUENMQCE-CPUCHLNUSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093857432 959015115 /nfs/dbraw/zinc/01/51/15/959015115.db2.gz FXQVMQBXOSLILK-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C[NH2+]Cc1ccccc1C#N ZINC001093857432 959015130 /nfs/dbraw/zinc/01/51/30/959015130.db2.gz FXQVMQBXOSLILK-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCO1 ZINC000775794169 972528884 /nfs/dbraw/zinc/52/88/84/972528884.db2.gz PVCHUSDYICZLCZ-SFTDATJTSA-N 2 1 369.509 1.800 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)[C@@H]1CCCO1 ZINC000775794169 972528893 /nfs/dbraw/zinc/52/88/93/972528893.db2.gz PVCHUSDYICZLCZ-SFTDATJTSA-N 2 1 369.509 1.800 20 30 FDEDMP C#CCN1CC[C@H](c2ccc(F)cc2)[C@H](CNC(=O)Cc2ncc[nH]2)C1 ZINC001186203388 964350422 /nfs/dbraw/zinc/35/04/22/964350422.db2.gz KIRLBJDKJHDXAI-SJLPKXTDSA-N 2 1 354.429 1.946 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C#CC3CC[NH2+]CC3)c2)CCO1 ZINC000852862820 967668268 /nfs/dbraw/zinc/66/82/68/967668268.db2.gz KWHULKHBKGHLTK-QGZVFWFLSA-N 2 1 355.482 1.527 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C#CC3CC[NH2+]CC3)c2)CCO1 ZINC000852862820 967668275 /nfs/dbraw/zinc/66/82/75/967668275.db2.gz KWHULKHBKGHLTK-QGZVFWFLSA-N 2 1 355.482 1.527 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190317076 967729689 /nfs/dbraw/zinc/72/96/89/967729689.db2.gz CLAHFSVMGMGSCH-VQTJNVASSA-N 2 1 355.482 1.544 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000849114899 977327010 /nfs/dbraw/zinc/32/70/10/977327010.db2.gz YIBSLSORBQGJIO-UHFFFAOYSA-N 2 1 373.545 1.538 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000849114899 977327020 /nfs/dbraw/zinc/32/70/20/977327020.db2.gz YIBSLSORBQGJIO-UHFFFAOYSA-N 2 1 373.545 1.538 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC#N)CCC(=O)OC)CC2)CC1 ZINC000871343511 986912277 /nfs/dbraw/zinc/91/22/77/986912277.db2.gz CANJTDMZFWTJIZ-UHFFFAOYSA-N 2 1 364.490 1.098 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000296653594 989348819 /nfs/dbraw/zinc/34/88/19/989348819.db2.gz TYBDHRIYNNNYOO-UHFFFAOYSA-N 2 1 356.514 1.948 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000371295543 990344015 /nfs/dbraw/zinc/34/40/15/990344015.db2.gz SHBNRVXUKNEYJE-LFGUQSLTSA-N 2 1 359.470 1.481 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)COc1ccc(C#N)cc1 ZINC000371295543 990344024 /nfs/dbraw/zinc/34/40/24/990344024.db2.gz SHBNRVXUKNEYJE-LFGUQSLTSA-N 2 1 359.470 1.481 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C(C)(C)C[N@@H+]1CCn2ccnc2C1 ZINC000371888734 990800167 /nfs/dbraw/zinc/80/01/67/990800167.db2.gz RBVPUFPYTWCEFZ-UHFFFAOYSA-N 2 1 360.506 1.419 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C(C)(C)C[N@H+]1CCn2ccnc2C1 ZINC000371888734 990800178 /nfs/dbraw/zinc/80/01/78/990800178.db2.gz RBVPUFPYTWCEFZ-UHFFFAOYSA-N 2 1 360.506 1.419 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000373224284 992032771 /nfs/dbraw/zinc/03/27/71/992032771.db2.gz RMFLZOKQEHFFMC-SFTDATJTSA-N 2 1 354.498 1.975 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000373224284 992032784 /nfs/dbraw/zinc/03/27/84/992032784.db2.gz RMFLZOKQEHFFMC-SFTDATJTSA-N 2 1 354.498 1.975 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000876719425 992829417 /nfs/dbraw/zinc/82/94/17/992829417.db2.gz LBSDCZFSWHAMOC-INIZCTEOSA-N 2 1 364.877 1.160 20 30 FDEDMP Cc1nsc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1C#N ZINC000926117487 995924288 /nfs/dbraw/zinc/92/42/88/995924288.db2.gz OBVFWCXKCJXYHB-OKILXGFUSA-N 2 1 360.487 1.756 20 30 FDEDMP COc1ccc(-n2ccc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)n2)cc1 ZINC000264069984 997395296 /nfs/dbraw/zinc/39/52/96/997395296.db2.gz CUVPFLIUKJLWQQ-UHFFFAOYSA-N 2 1 372.473 1.008 20 30 FDEDMP [NH2+]=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCC[NH+]1CCOCC1 ZINC000267455469 999340629 /nfs/dbraw/zinc/34/06/29/999340629.db2.gz SSXRQQDHJYVJKN-UHFFFAOYSA-N 2 1 368.403 1.684 20 30 FDEDMP N#Cc1ccc(OC[C@@H](O)CN2CCC([N@H+]3CCCOCC3)CC2)cc1 ZINC000931292404 1004032006 /nfs/dbraw/zinc/03/20/06/1004032006.db2.gz KZMAEWWHJBAEHH-IBGZPJMESA-N 2 1 359.470 1.485 20 30 FDEDMP C[NH+]1C[C@]2(C)CN(CC#CCN3C[C@]4(C)C[N@H+](C)C[C@]4(C)C3)C[C@@]2(C)C1 ZINC000931313350 1004047040 /nfs/dbraw/zinc/04/70/40/1004047040.db2.gz BABBWXPNARCSEM-YSFYHYPLSA-N 2 1 358.574 1.537 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC000960045383 1009382214 /nfs/dbraw/zinc/38/22/14/1009382214.db2.gz HWIDCDLBBJXPIC-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC000960045383 1009382228 /nfs/dbraw/zinc/38/22/28/1009382228.db2.gz HWIDCDLBBJXPIC-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000303774958 1009576472 /nfs/dbraw/zinc/57/64/72/1009576472.db2.gz GKZQCVDPZYXSNO-HXUWFJFHSA-N 3 1 372.561 1.193 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCN(Cc2ccccc2)CC1 ZINC000303774958 1009576482 /nfs/dbraw/zinc/57/64/82/1009576482.db2.gz GKZQCVDPZYXSNO-HXUWFJFHSA-N 2 1 372.561 1.193 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCN(Cc2ccccc2)CC1 ZINC000303774958 1009576494 /nfs/dbraw/zinc/57/64/94/1009576494.db2.gz GKZQCVDPZYXSNO-HXUWFJFHSA-N 2 1 372.561 1.193 20 30 FDEDMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)c(OC)c1 ZINC000303986983 1009792607 /nfs/dbraw/zinc/79/26/07/1009792607.db2.gz VBCRTCSQRNQPCD-MRXNPFEDSA-N 2 1 364.490 1.261 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536933196 540661641 /nfs/dbraw/zinc/66/16/41/540661641.db2.gz NILMWOVFPCSWHZ-ULQDDVLXSA-N 2 1 353.507 1.267 20 30 FDEDMP C[C@@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069030291 172024664 /nfs/dbraw/zinc/02/46/64/172024664.db2.gz LRUWHHLAJHLEDA-INIZCTEOSA-N 2 1 356.470 1.929 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000557731984 544338117 /nfs/dbraw/zinc/33/81/17/544338117.db2.gz JJFPILQNLOKRGP-KRWDZBQOSA-N 2 1 350.507 1.086 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000559833027 544813532 /nfs/dbraw/zinc/81/35/32/544813532.db2.gz ICQRESSMSOWGSY-QGZVFWFLSA-N 2 1 364.534 1.524 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000073167820 522482680 /nfs/dbraw/zinc/48/26/80/522482680.db2.gz ZSMLMNLITAYHKY-HNNXBMFYSA-N 2 1 359.474 1.097 20 30 FDEDMP N#CC1(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCCCC1 ZINC000173958979 524492858 /nfs/dbraw/zinc/49/28/58/524492858.db2.gz KSXQSPVTFFRMLM-UHFFFAOYSA-N 2 1 362.518 1.906 20 30 FDEDMP CC(C)CNC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000104166463 525397841 /nfs/dbraw/zinc/39/78/41/525397841.db2.gz WGJFUGAYFHVNFQ-UHFFFAOYSA-N 2 1 361.490 1.408 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1CN1CCOCC1 ZINC000104156843 525398405 /nfs/dbraw/zinc/39/84/05/525398405.db2.gz OGOFDFQYMYSJBW-LJQANCHMSA-N 2 1 359.518 1.407 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000104156843 525398412 /nfs/dbraw/zinc/39/84/12/525398412.db2.gz OGOFDFQYMYSJBW-LJQANCHMSA-N 3 1 359.518 1.407 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000104156843 525398419 /nfs/dbraw/zinc/39/84/19/525398419.db2.gz OGOFDFQYMYSJBW-LJQANCHMSA-N 3 1 359.518 1.407 20 30 FDEDMP COc1ccc(CCNC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)cc1OC ZINC000178564746 525445527 /nfs/dbraw/zinc/44/55/27/525445527.db2.gz GCZSZHZHBISXIN-HNNXBMFYSA-N 2 1 364.490 1.119 20 30 FDEDMP CN(CC[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000180959430 525782210 /nfs/dbraw/zinc/78/22/10/525782210.db2.gz MUOPVYAPEKOUFF-UHFFFAOYSA-N 2 1 357.502 1.845 20 30 FDEDMP CN(C(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CC1 ZINC000181463181 525855951 /nfs/dbraw/zinc/85/59/51/525855951.db2.gz IQKWZVHXONVGTO-UHFFFAOYSA-N 2 1 359.474 1.256 20 30 FDEDMP COCC[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000171213906 525901212 /nfs/dbraw/zinc/90/12/12/525901212.db2.gz XOCPVRULZCJHRW-UHFFFAOYSA-N 2 1 373.501 1.354 20 30 FDEDMP COCC[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000171213906 525901220 /nfs/dbraw/zinc/90/12/20/525901220.db2.gz XOCPVRULZCJHRW-UHFFFAOYSA-N 2 1 373.501 1.354 20 30 FDEDMP COCC[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000171213906 525901230 /nfs/dbraw/zinc/90/12/30/525901230.db2.gz XOCPVRULZCJHRW-UHFFFAOYSA-N 2 1 373.501 1.354 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000171565906 526038358 /nfs/dbraw/zinc/03/83/58/526038358.db2.gz XGMPGGDHBGQPJP-FQEVSTJZSA-N 2 1 357.498 1.951 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000561451044 545856847 /nfs/dbraw/zinc/85/68/47/545856847.db2.gz ZYZZKWVROKOQSJ-RDJZCZTQSA-N 2 1 350.507 1.084 20 30 FDEDMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C[C@H](C)O1 ZINC000561979852 546000145 /nfs/dbraw/zinc/00/01/45/546000145.db2.gz GZTZNKADKCMESD-IRXDYDNUSA-N 2 1 360.502 1.987 20 30 FDEDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000563140043 546422047 /nfs/dbraw/zinc/42/20/47/546422047.db2.gz AZRQFNHUDKWOHH-OALUTQOASA-N 2 1 361.486 1.175 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000566117041 547612179 /nfs/dbraw/zinc/61/21/79/547612179.db2.gz RUUCQFHKKLSWOK-JFIYKMOQSA-N 2 1 350.532 1.927 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000566117041 547612182 /nfs/dbraw/zinc/61/21/82/547612182.db2.gz RUUCQFHKKLSWOK-JFIYKMOQSA-N 2 1 350.532 1.927 20 30 FDEDMP Cc1ccc(NCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)[nH+]c1 ZINC000570795493 549413187 /nfs/dbraw/zinc/41/31/87/549413187.db2.gz VQAIRFOZWLYCJQ-UHFFFAOYSA-N 2 1 358.467 2.127 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000578610043 550782060 /nfs/dbraw/zinc/78/20/60/550782060.db2.gz IPSJTKDANJIWSA-LJQANCHMSA-N 2 1 371.485 1.154 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2)cc(OC)c1 ZINC000594439548 552310190 /nfs/dbraw/zinc/31/01/90/552310190.db2.gz RREBNJDNZVGORB-QFBILLFUSA-N 2 1 374.485 1.806 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2)cc(OC)c1 ZINC000594439548 552310191 /nfs/dbraw/zinc/31/01/91/552310191.db2.gz RREBNJDNZVGORB-QFBILLFUSA-N 2 1 374.485 1.806 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000594439185 552310687 /nfs/dbraw/zinc/31/06/87/552310687.db2.gz PHWPYPNMLDAKIC-GOSISDBHSA-N 2 1 361.465 1.475 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602848871 553650725 /nfs/dbraw/zinc/65/07/25/553650725.db2.gz OUVPNIAFAWHPRO-LJQANCHMSA-N 2 1 352.438 1.905 20 30 FDEDMP CCOc1ccc(OCC)c(NC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000104152653 671594430 /nfs/dbraw/zinc/59/44/30/671594430.db2.gz VKBUBJYNPJZULR-UHFFFAOYSA-N 2 1 350.463 1.933 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000249490023 672565563 /nfs/dbraw/zinc/56/55/63/672565563.db2.gz ZGEIVNZYUKUKCP-ZIFCJYIRSA-N 2 1 352.523 1.767 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C(C)C)[C@H](C)C1 ZINC000249490023 672565565 /nfs/dbraw/zinc/56/55/65/672565565.db2.gz ZGEIVNZYUKUKCP-ZIFCJYIRSA-N 2 1 352.523 1.767 20 30 FDEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]CC)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261656878 672644254 /nfs/dbraw/zinc/64/42/54/672644254.db2.gz AFYZOVXSXXUEGU-OAHLLOKOSA-N 2 1 358.552 1.193 20 30 FDEDMP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261679797 672649645 /nfs/dbraw/zinc/64/96/45/672649645.db2.gz HMEDRGYFUANKAM-HNNXBMFYSA-N 2 1 351.520 1.489 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000264774595 672924977 /nfs/dbraw/zinc/92/49/77/672924977.db2.gz TVEXTNVJEVAYGX-ZWKOTPCHSA-N 2 1 351.539 1.230 20 30 FDEDMP CO[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000267405299 673300307 /nfs/dbraw/zinc/30/03/07/673300307.db2.gz GWKCTBYDLHJODP-INIZCTEOSA-N 2 1 354.882 1.654 20 30 FDEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000329215115 676625820 /nfs/dbraw/zinc/62/58/20/676625820.db2.gz MEHQTTKKSNOILP-HMQMGEFJSA-N 2 1 350.507 1.901 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378424622 678746882 /nfs/dbraw/zinc/74/68/82/678746882.db2.gz FGAVGXCBRLYRJL-OALUTQOASA-N 2 1 350.551 1.759 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@@H]1C)C(C)C ZINC000457744628 683783198 /nfs/dbraw/zinc/78/31/98/683783198.db2.gz KSYMHDBZZVOWCZ-ZWKOTPCHSA-N 2 1 352.523 1.393 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@@H]1C)C(C)C ZINC000457744628 683783202 /nfs/dbraw/zinc/78/32/02/683783202.db2.gz KSYMHDBZZVOWCZ-ZWKOTPCHSA-N 2 1 352.523 1.393 20 30 FDEDMP C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC001208926190 770974940 /nfs/dbraw/zinc/97/49/40/770974940.db2.gz CWFZZMXIBUSLBR-AABGKKOBSA-N 2 1 350.470 1.787 20 30 FDEDMP C[N@H+]1[C@H](Cn2cncn2)C[C@@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC001208926190 770974943 /nfs/dbraw/zinc/97/49/43/770974943.db2.gz CWFZZMXIBUSLBR-AABGKKOBSA-N 2 1 350.470 1.787 20 30 FDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC001208926190 770974949 /nfs/dbraw/zinc/97/49/49/770974949.db2.gz CWFZZMXIBUSLBR-AABGKKOBSA-N 2 1 350.470 1.787 20 30 FDEDMP C[NH+]1[C@H](Cn2cncn2)C[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC001208926190 770974952 /nfs/dbraw/zinc/97/49/52/770974952.db2.gz CWFZZMXIBUSLBR-AABGKKOBSA-N 2 1 350.470 1.787 20 30 FDEDMP CO[C@H]1C[C@@H](C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)N(C)C1 ZINC000328921034 779343295 /nfs/dbraw/zinc/34/32/95/779343295.db2.gz BJZNTSNOJIZKGC-ULQDDVLXSA-N 2 1 361.490 1.268 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(C)CC[N@@H+](C)CC1)C(C)C ZINC000891940699 780307813 /nfs/dbraw/zinc/30/78/13/780307813.db2.gz RKXQPMCEVJXQHZ-LJQANCHMSA-N 2 1 365.566 1.574 20 30 FDEDMP C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083248129 783427000 /nfs/dbraw/zinc/42/70/00/783427000.db2.gz SGHKIMHBKBBVJA-SLFFLAALSA-N 2 1 368.481 1.312 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083248129 783427005 /nfs/dbraw/zinc/42/70/05/783427005.db2.gz SGHKIMHBKBBVJA-SLFFLAALSA-N 2 1 368.481 1.312 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083248129 783427016 /nfs/dbraw/zinc/42/70/16/783427016.db2.gz SGHKIMHBKBBVJA-SLFFLAALSA-N 2 1 368.481 1.312 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083248129 783427023 /nfs/dbraw/zinc/42/70/23/783427023.db2.gz SGHKIMHBKBBVJA-SLFFLAALSA-N 2 1 368.481 1.312 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC(CC)CC)C[C@@H]32)CC1 ZINC001083283598 791183733 /nfs/dbraw/zinc/18/37/33/791183733.db2.gz KHWLTIBMNYAJRN-VQTJNVASSA-N 2 1 361.530 1.679 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000364239997 795515761 /nfs/dbraw/zinc/51/57/61/795515761.db2.gz ABTWKCNWFPRWER-LPHOPBHVSA-N 2 1 374.533 1.753 20 30 FDEDMP C#Cc1cccc(NC(=O)CNC(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)=[NH+]C)c1 ZINC000261962810 811355546 /nfs/dbraw/zinc/35/55/46/811355546.db2.gz KQIVEHFRWHBENU-KBXCAEBGSA-N 2 1 353.470 1.254 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894639666 818275401 /nfs/dbraw/zinc/27/54/01/818275401.db2.gz QWEVRWLQDFNUKW-IAGOWNOFSA-N 2 1 365.518 1.994 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000894639666 818275407 /nfs/dbraw/zinc/27/54/07/818275407.db2.gz QWEVRWLQDFNUKW-IAGOWNOFSA-N 2 1 365.518 1.994 20 30 FDEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000328601733 819530386 /nfs/dbraw/zinc/53/03/86/819530386.db2.gz FZQTYIVSZGYBDJ-MJGOQNOKSA-N 2 1 365.566 1.923 20 30 FDEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328601733 819530398 /nfs/dbraw/zinc/53/03/98/819530398.db2.gz FZQTYIVSZGYBDJ-MJGOQNOKSA-N 2 1 365.566 1.923 20 30 FDEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000328601733 819530402 /nfs/dbraw/zinc/53/04/02/819530402.db2.gz FZQTYIVSZGYBDJ-MJGOQNOKSA-N 2 1 365.566 1.923 20 30 FDEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000328601732 819530601 /nfs/dbraw/zinc/53/06/01/819530601.db2.gz FZQTYIVSZGYBDJ-IEBWSBKVSA-N 2 1 365.566 1.923 20 30 FDEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000328601732 819530613 /nfs/dbraw/zinc/53/06/13/819530613.db2.gz FZQTYIVSZGYBDJ-IEBWSBKVSA-N 2 1 365.566 1.923 20 30 FDEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000328601732 819530619 /nfs/dbraw/zinc/53/06/19/819530619.db2.gz FZQTYIVSZGYBDJ-IEBWSBKVSA-N 2 1 365.566 1.923 20 30 FDEDMP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C)N3CC[NH+](C)CC3)cn2)CC1 ZINC000328761384 819546442 /nfs/dbraw/zinc/54/64/42/819546442.db2.gz XZEOYPQJZCBDTB-KRWDZBQOSA-N 2 1 374.533 1.316 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC000284210919 820142478 /nfs/dbraw/zinc/14/24/78/820142478.db2.gz WSHRFVPNVVVTCU-QZTJIDSGSA-N 2 1 364.534 1.211 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)o3)[C@@H]2CC)CC1 ZINC001087839994 822558702 /nfs/dbraw/zinc/55/87/02/822558702.db2.gz CKGFNSQRCHMHTL-RBUKOAKNSA-N 2 1 358.486 1.797 20 30 FDEDMP CNC(=O)c1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000329737498 825408650 /nfs/dbraw/zinc/40/86/50/825408650.db2.gz MEAJCRCQJSXZRL-UHFFFAOYSA-N 2 1 373.501 1.696 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccn4)CC[C@@H]3C2)CC1 ZINC001088212206 827493866 /nfs/dbraw/zinc/49/38/66/827493866.db2.gz VHFJUEKTLNVHAM-UXHICEINSA-N 2 1 366.509 1.707 20 30 FDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000451606179 830401175 /nfs/dbraw/zinc/40/11/75/830401175.db2.gz MDGBUYNZRBWBTF-UXHICEINSA-N 2 1 357.498 1.962 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000264089891 838510239 /nfs/dbraw/zinc/51/02/39/838510239.db2.gz KPTOUOJGRWOTMJ-FXAWDEMLSA-N 2 1 373.545 1.796 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000264089891 838510244 /nfs/dbraw/zinc/51/02/44/838510244.db2.gz KPTOUOJGRWOTMJ-FXAWDEMLSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1 ZINC000264089891 838510250 /nfs/dbraw/zinc/51/02/50/838510250.db2.gz KPTOUOJGRWOTMJ-FXAWDEMLSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000264089891 838510256 /nfs/dbraw/zinc/51/02/56/838510256.db2.gz KPTOUOJGRWOTMJ-FXAWDEMLSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000264089891 838510260 /nfs/dbraw/zinc/51/02/60/838510260.db2.gz KPTOUOJGRWOTMJ-FXAWDEMLSA-N 3 1 373.545 1.796 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642102 842303196 /nfs/dbraw/zinc/30/31/96/842303196.db2.gz HQNHDZKINYJOFP-WIRSXHRWSA-N 2 1 363.546 1.706 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1F ZINC001076467039 848192857 /nfs/dbraw/zinc/19/28/57/848192857.db2.gz ABMJWCJHYFCYGG-PKOBYXMFSA-N 2 1 368.456 1.826 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)cc1F ZINC001076467039 848192860 /nfs/dbraw/zinc/19/28/60/848192860.db2.gz ABMJWCJHYFCYGG-PKOBYXMFSA-N 2 1 368.456 1.826 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ncccc4C)C[C@H]32)CC1 ZINC001076604551 848553754 /nfs/dbraw/zinc/55/37/54/848553754.db2.gz LTECTEZUIHKXQA-PZJWPPBQSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC[C@H]4CCOC4)C[C@H]32)CC1 ZINC001076605449 848556076 /nfs/dbraw/zinc/55/60/76/848556076.db2.gz AYDYSZUSFGDZBO-YSIASYRMSA-N 2 1 359.514 1.291 20 30 FDEDMP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077127999 849837115 /nfs/dbraw/zinc/83/71/15/849837115.db2.gz SXLKWMUVLRNDTL-VAMGGRTRSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077127999 849837120 /nfs/dbraw/zinc/83/71/20/849837120.db2.gz SXLKWMUVLRNDTL-VAMGGRTRSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077127999 849837124 /nfs/dbraw/zinc/83/71/24/849837124.db2.gz SXLKWMUVLRNDTL-VAMGGRTRSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077127999 849837130 /nfs/dbraw/zinc/83/71/30/849837130.db2.gz SXLKWMUVLRNDTL-VAMGGRTRSA-N 2 1 370.497 1.197 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000905093813 851677166 /nfs/dbraw/zinc/67/71/66/851677166.db2.gz CGCNYXKWZVDOQT-INIZCTEOSA-N 2 1 373.563 1.228 20 30 FDEDMP C=CC(C)(C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000911341157 858533654 /nfs/dbraw/zinc/53/36/54/858533654.db2.gz LWYGOQHWPOSBDS-CALCHBBNSA-N 2 1 362.518 1.132 20 30 FDEDMP C=CC(C)(C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000911341157 858533657 /nfs/dbraw/zinc/53/36/57/858533657.db2.gz LWYGOQHWPOSBDS-CALCHBBNSA-N 2 1 362.518 1.132 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC[C@@H]3CCCCO3)[C@@H]2C)CC1 ZINC001089059224 866384066 /nfs/dbraw/zinc/38/40/66/866384066.db2.gz FDBCMCZYMGABSH-HOJAQTOUSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000913977006 870189010 /nfs/dbraw/zinc/18/90/10/870189010.db2.gz DGDUJOFUECARNV-IYBDPMFKSA-N 2 1 350.507 1.271 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000913977006 870189019 /nfs/dbraw/zinc/18/90/19/870189019.db2.gz DGDUJOFUECARNV-IYBDPMFKSA-N 2 1 350.507 1.271 20 30 FDEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357737 874895669 /nfs/dbraw/zinc/89/56/69/874895669.db2.gz MGKFSGKLRQGRKU-KURKYZTESA-N 2 1 364.534 1.093 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626535 878844101 /nfs/dbraw/zinc/84/41/01/878844101.db2.gz BWCXIIUKGIBIMS-MLYOOKFZSA-N 2 1 364.534 1.111 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@]2(C[NH+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626535 878844110 /nfs/dbraw/zinc/84/41/10/878844110.db2.gz BWCXIIUKGIBIMS-MLYOOKFZSA-N 2 1 364.534 1.111 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@]2(C[NH+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626535 878844124 /nfs/dbraw/zinc/84/41/24/878844124.db2.gz BWCXIIUKGIBIMS-MLYOOKFZSA-N 2 1 364.534 1.111 20 30 FDEDMP C=CCN1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001034648025 884615015 /nfs/dbraw/zinc/61/50/15/884615015.db2.gz UYJZKNQOBGPIQK-DUQPFJRNSA-N 2 1 362.518 1.131 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204506 886371796 /nfs/dbraw/zinc/37/17/96/886371796.db2.gz GUPCHDXJIYLRLO-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276643 887652567 /nfs/dbraw/zinc/65/25/67/887652567.db2.gz PNSXANRZIYLOPZ-SJORKVTESA-N 2 1 362.522 1.564 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276643 887652570 /nfs/dbraw/zinc/65/25/70/887652570.db2.gz PNSXANRZIYLOPZ-SJORKVTESA-N 2 1 362.522 1.564 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](n2ccnn2)C1 ZINC001129276643 887652576 /nfs/dbraw/zinc/65/25/76/887652576.db2.gz PNSXANRZIYLOPZ-SJORKVTESA-N 2 1 362.522 1.564 20 30 FDEDMP Nc1nccc([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000328763259 889909276 /nfs/dbraw/zinc/90/92/76/889909276.db2.gz ZYMCUMFAJZFRJA-AWEZNQCLSA-N 2 1 358.490 1.822 20 30 FDEDMP Nc1nccc([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n1 ZINC000328763259 889909280 /nfs/dbraw/zinc/90/92/80/889909280.db2.gz ZYMCUMFAJZFRJA-AWEZNQCLSA-N 2 1 358.490 1.822 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000671082061 896162156 /nfs/dbraw/zinc/16/21/56/896162156.db2.gz QPFZBSZDSZVMQO-IAGOWNOFSA-N 2 1 350.507 1.012 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999985814 896515464 /nfs/dbraw/zinc/51/54/64/896515464.db2.gz FNOYBQAETUTAMW-FVQBIDKESA-N 2 1 366.897 1.234 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985814 896515473 /nfs/dbraw/zinc/51/54/73/896515473.db2.gz FNOYBQAETUTAMW-FVQBIDKESA-N 2 1 366.897 1.234 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985814 896515480 /nfs/dbraw/zinc/51/54/80/896515480.db2.gz FNOYBQAETUTAMW-FVQBIDKESA-N 2 1 366.897 1.234 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985814 896515491 /nfs/dbraw/zinc/51/54/91/896515491.db2.gz FNOYBQAETUTAMW-FVQBIDKESA-N 2 1 366.897 1.234 20 30 FDEDMP C=C(C)CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999986963 896519558 /nfs/dbraw/zinc/51/95/58/896519558.db2.gz LJIYVUHIACELRH-KBAYOESNSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986963 896519571 /nfs/dbraw/zinc/51/95/71/896519571.db2.gz LJIYVUHIACELRH-KBAYOESNSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986963 896519582 /nfs/dbraw/zinc/51/95/82/896519582.db2.gz LJIYVUHIACELRH-KBAYOESNSA-N 2 1 360.506 1.448 20 30 FDEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001083908412 901564458 /nfs/dbraw/zinc/56/44/58/901564458.db2.gz BJXNTZQFPWNGOY-UXHICEINSA-N 2 1 370.497 1.340 20 30 FDEDMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001083908412 901564472 /nfs/dbraw/zinc/56/44/72/901564472.db2.gz BJXNTZQFPWNGOY-UXHICEINSA-N 2 1 370.497 1.340 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142724 901950408 /nfs/dbraw/zinc/95/04/08/901950408.db2.gz QODZBJRDHHKQPQ-WOJBJXKFSA-N 2 1 357.498 1.588 20 30 FDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142724 901950414 /nfs/dbraw/zinc/95/04/14/901950414.db2.gz QODZBJRDHHKQPQ-WOJBJXKFSA-N 2 1 357.498 1.588 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079245575 902254235 /nfs/dbraw/zinc/25/42/35/902254235.db2.gz AJYJAUZGIHELFE-GBESFXJTSA-N 2 1 359.514 1.433 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1F ZINC001079321996 902424521 /nfs/dbraw/zinc/42/45/21/902424521.db2.gz IGNPQBORPGIHKF-UHOSZYNNSA-N 2 1 361.461 1.616 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1F ZINC001079321996 902424525 /nfs/dbraw/zinc/42/45/25/902424525.db2.gz IGNPQBORPGIHKF-UHOSZYNNSA-N 2 1 361.461 1.616 20 30 FDEDMP C=CCC[C@H](C)[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC001107172592 903548067 /nfs/dbraw/zinc/54/80/67/903548067.db2.gz BFJZNFOKXRJHPQ-HDMKZQKVSA-N 2 1 360.506 1.446 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996607365 904348809 /nfs/dbraw/zinc/34/88/09/904348809.db2.gz NTAGDKSGZDCNSL-DNVCBOLYSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)C[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107449297 904969380 /nfs/dbraw/zinc/96/93/80/904969380.db2.gz DFZNVKDKTLSNHW-WIYYLYMNSA-N 2 1 361.530 1.729 20 30 FDEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](CC)CCO3)CCC[C@@H]12 ZINC001107639173 906191825 /nfs/dbraw/zinc/19/18/25/906191825.db2.gz ZHSMVTNXIQRPRE-NLWGTHIKSA-N 2 1 365.518 1.271 20 30 FDEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](CC)CCO3)CCC[C@@H]12 ZINC001107639173 906191833 /nfs/dbraw/zinc/19/18/33/906191833.db2.gz ZHSMVTNXIQRPRE-NLWGTHIKSA-N 2 1 365.518 1.271 20 30 FDEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107639173 906191838 /nfs/dbraw/zinc/19/18/38/906191838.db2.gz ZHSMVTNXIQRPRE-NLWGTHIKSA-N 2 1 365.518 1.271 20 30 FDEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](CC)CCO3)CCC[C@@H]12 ZINC001107639173 906191847 /nfs/dbraw/zinc/19/18/47/906191847.db2.gz ZHSMVTNXIQRPRE-NLWGTHIKSA-N 2 1 365.518 1.271 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779515 906245984 /nfs/dbraw/zinc/24/59/84/906245984.db2.gz RAAKVYGPDXCXOV-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080779515 906246001 /nfs/dbraw/zinc/24/60/01/906246001.db2.gz RAAKVYGPDXCXOV-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080779515 906246014 /nfs/dbraw/zinc/24/60/14/906246014.db2.gz RAAKVYGPDXCXOV-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080779515 906246026 /nfs/dbraw/zinc/24/60/26/906246026.db2.gz RAAKVYGPDXCXOV-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@H]2C)CC1 ZINC001080997891 906974115 /nfs/dbraw/zinc/97/41/15/906974115.db2.gz OAVNULCQVABOQN-DYESRHJHSA-N 2 1 369.509 1.461 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(COC)cc2)C1 ZINC001082568022 908706216 /nfs/dbraw/zinc/70/62/16/908706216.db2.gz SOTCVQAFAUCDHX-UIFIKXQLSA-N 2 1 369.509 1.867 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(COC)cc2)C1 ZINC001082568022 908706232 /nfs/dbraw/zinc/70/62/32/908706232.db2.gz SOTCVQAFAUCDHX-UIFIKXQLSA-N 2 1 369.509 1.867 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001082568137 908707112 /nfs/dbraw/zinc/70/71/12/908707112.db2.gz ZVQYVJHOEXTAPX-HBGVWJBISA-N 2 1 367.493 1.751 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC001082568137 908707122 /nfs/dbraw/zinc/70/71/22/908707122.db2.gz ZVQYVJHOEXTAPX-HBGVWJBISA-N 2 1 367.493 1.751 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(C#N)c2)C1 ZINC001082646399 909313818 /nfs/dbraw/zinc/31/38/18/909313818.db2.gz RZPIDTVTWOZVHO-FZKQIMNGSA-N 2 1 355.417 1.839 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(C4CC4)o3)C2)CC1 ZINC001082941482 911018090 /nfs/dbraw/zinc/01/80/90/911018090.db2.gz SEUWTLQBVMVTGC-CRAIPNDOSA-N 2 1 370.497 1.834 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C#N)C2)O1 ZINC000998983121 911932991 /nfs/dbraw/zinc/93/29/91/911932991.db2.gz JGLTWAQMYPGQPV-YOODTLSXSA-N 2 1 356.470 1.356 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3C#N)C2)O1 ZINC000998983121 911932996 /nfs/dbraw/zinc/93/29/96/911932996.db2.gz JGLTWAQMYPGQPV-YOODTLSXSA-N 2 1 356.470 1.356 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001084830485 917508595 /nfs/dbraw/zinc/50/85/95/917508595.db2.gz XBDRZJHWUAIBPQ-WSTZPKSXSA-N 2 1 368.481 1.573 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001084830485 917508605 /nfs/dbraw/zinc/50/86/05/917508605.db2.gz XBDRZJHWUAIBPQ-WSTZPKSXSA-N 2 1 368.481 1.573 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(OCC#N)cc4)C[C@H]32)C1 ZINC001084830485 917508618 /nfs/dbraw/zinc/50/86/18/917508618.db2.gz XBDRZJHWUAIBPQ-WSTZPKSXSA-N 2 1 368.481 1.573 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnoc4C)C[C@H]32)CC1 ZINC001084851174 917658886 /nfs/dbraw/zinc/65/88/86/917658886.db2.gz PUYMIUBWAQBYMB-IEBWSBKVSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnoc4C)C[C@H]32)CC1 ZINC001084851174 917658890 /nfs/dbraw/zinc/65/88/90/917658890.db2.gz PUYMIUBWAQBYMB-IEBWSBKVSA-N 2 1 356.470 1.361 20 30 FDEDMP CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911310 918248372 /nfs/dbraw/zinc/24/83/72/918248372.db2.gz WZDZQXZOLAIWMP-UXPWSPDFSA-N 2 1 368.481 1.312 20 30 FDEDMP CN1CCO[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001084911310 918248390 /nfs/dbraw/zinc/24/83/90/918248390.db2.gz WZDZQXZOLAIWMP-UXPWSPDFSA-N 2 1 368.481 1.312 20 30 FDEDMP C#CCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]21 ZINC001084957558 918840217 /nfs/dbraw/zinc/84/02/17/918840217.db2.gz GUCOYVIOOXCREV-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957558 918840224 /nfs/dbraw/zinc/84/02/24/918840224.db2.gz GUCOYVIOOXCREV-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]21 ZINC001084957558 918840235 /nfs/dbraw/zinc/84/02/35/918840235.db2.gz GUCOYVIOOXCREV-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4conc4C)[C@H]3C2)CC1 ZINC001085100486 920914796 /nfs/dbraw/zinc/91/47/96/920914796.db2.gz GQERJUQVDDUJEJ-XLIONFOSSA-N 2 1 370.497 1.751 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)O1 ZINC001085242619 923117689 /nfs/dbraw/zinc/11/76/89/923117689.db2.gz ZQHURTXKWNKFAY-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)O1 ZINC001085242619 923117694 /nfs/dbraw/zinc/11/76/94/923117694.db2.gz ZQHURTXKWNKFAY-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@H]1C[C@H]3CC[C@@H](C1)[NH+]3C)C2 ZINC001169131228 928290416 /nfs/dbraw/zinc/29/04/16/928290416.db2.gz RYSWYYKRUJAKQX-XODKDNOYSA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3C)C2 ZINC001169131228 928290422 /nfs/dbraw/zinc/29/04/22/928290422.db2.gz RYSWYYKRUJAKQX-XODKDNOYSA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC001169131228 928290436 /nfs/dbraw/zinc/29/04/36/928290436.db2.gz RYSWYYKRUJAKQX-XODKDNOYSA-N 2 1 360.546 1.795 20 30 FDEDMP C=CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685026 938485015 /nfs/dbraw/zinc/48/50/15/938485015.db2.gz LTBWPFYMCIYCHT-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012069 938614774 /nfs/dbraw/zinc/61/47/74/938614774.db2.gz MWFCLUJYJGJPDU-CABCVRRESA-N 2 1 368.913 1.350 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1n1ccnn1 ZINC001130012069 938614777 /nfs/dbraw/zinc/61/47/77/938614777.db2.gz MWFCLUJYJGJPDU-CABCVRRESA-N 2 1 368.913 1.350 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130614878 939912428 /nfs/dbraw/zinc/91/24/28/939912428.db2.gz GCTHKPDYQBWWMU-QXAKKESOSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994104 940416720 /nfs/dbraw/zinc/41/67/20/940416720.db2.gz GTIYXYJZXVKFQB-BRSBDYLESA-N 2 1 359.518 1.611 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003483 940429557 /nfs/dbraw/zinc/42/95/57/940429557.db2.gz GNRWXWCSBAIXEA-KZNAEPCWSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131012422 940444229 /nfs/dbraw/zinc/44/42/29/940444229.db2.gz IKZLMQMBVRVUAY-KZNAEPCWSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001131070111 940484333 /nfs/dbraw/zinc/48/43/33/940484333.db2.gz GCOGBIWMOUTHFI-RCCFBDPRSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131081974 940487852 /nfs/dbraw/zinc/48/78/52/940487852.db2.gz GSYQJXKHIMGJQS-QRVBRYPASA-N 2 1 371.529 1.590 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001131511965 940693658 /nfs/dbraw/zinc/69/36/58/940693658.db2.gz GFFOXWJZUIHKQF-AQNXPRMDSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001131564939 940740879 /nfs/dbraw/zinc/74/08/79/940740879.db2.gz YLKKDDKXNWFZPY-QUCCMNQESA-N 2 1 361.530 1.727 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001131608614 940788561 /nfs/dbraw/zinc/78/85/61/940788561.db2.gz HYEJZWFVVDPPSE-QUCCMNQESA-N 2 1 367.534 1.515 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001086720901 941620636 /nfs/dbraw/zinc/62/06/36/941620636.db2.gz UJMZNKKMEGHDGH-SCTDSRPQSA-N 2 1 370.497 1.562 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccc(OC)n2)C1 ZINC001086720901 941620638 /nfs/dbraw/zinc/62/06/38/941620638.db2.gz UJMZNKKMEGHDGH-SCTDSRPQSA-N 2 1 370.497 1.562 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086762844 942407209 /nfs/dbraw/zinc/40/72/09/942407209.db2.gz CVMBALBMHNNEDP-CFFMVQJASA-N 2 1 353.894 1.477 20 30 FDEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856597174 971244664 /nfs/dbraw/zinc/24/46/64/971244664.db2.gz FMSFUJRYGVMOPE-QFBILLFUSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856597174 971244672 /nfs/dbraw/zinc/24/46/72/971244672.db2.gz FMSFUJRYGVMOPE-QFBILLFUSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597174 971244677 /nfs/dbraw/zinc/24/46/77/971244677.db2.gz FMSFUJRYGVMOPE-QFBILLFUSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597174 971244683 /nfs/dbraw/zinc/24/46/83/971244683.db2.gz FMSFUJRYGVMOPE-QFBILLFUSA-N 2 1 358.486 1.513 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1ccc(OC)cc1 ZINC001090880837 947596477 /nfs/dbraw/zinc/59/64/77/947596477.db2.gz MLSVTYSEJOUFFM-VQTJNVASSA-N 2 1 369.509 1.944 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168489 971517100 /nfs/dbraw/zinc/51/71/00/971517100.db2.gz KYTHRNXNTYUZIV-BHIYHBOVSA-N 2 1 360.502 1.662 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C1 ZINC001196168489 971517110 /nfs/dbraw/zinc/51/71/10/971517110.db2.gz KYTHRNXNTYUZIV-BHIYHBOVSA-N 2 1 360.502 1.662 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091531246 951957216 /nfs/dbraw/zinc/95/72/16/951957216.db2.gz NGGOVAUDJUHBPJ-FMKPAKJESA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091531246 951957222 /nfs/dbraw/zinc/95/72/22/951957222.db2.gz NGGOVAUDJUHBPJ-FMKPAKJESA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091531246 951957224 /nfs/dbraw/zinc/95/72/24/951957224.db2.gz NGGOVAUDJUHBPJ-FMKPAKJESA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091531246 951957230 /nfs/dbraw/zinc/95/72/30/951957230.db2.gz NGGOVAUDJUHBPJ-FMKPAKJESA-N 2 1 356.308 1.770 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772981438 952410062 /nfs/dbraw/zinc/41/00/62/952410062.db2.gz DFORHVLKEBSVAV-MKRGEVTBSA-N 2 1 364.490 1.239 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1cnn(C)c1 ZINC001086993802 953028278 /nfs/dbraw/zinc/02/82/78/953028278.db2.gz SDPQHGQMYRXKID-ZYSHUDEJSA-N 2 1 368.485 1.258 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087005461 953064897 /nfs/dbraw/zinc/06/48/97/953064897.db2.gz DNRIPGCYLHAHQL-BHYGNILZSA-N 2 1 365.909 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087005461 953064901 /nfs/dbraw/zinc/06/49/01/953064901.db2.gz DNRIPGCYLHAHQL-BHYGNILZSA-N 2 1 365.909 1.398 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)C1 ZINC001092273965 954660591 /nfs/dbraw/zinc/66/05/91/954660591.db2.gz YDZPSRROIXDVMT-UEXGIBASSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)C1 ZINC001092273965 954660597 /nfs/dbraw/zinc/66/05/97/954660597.db2.gz YDZPSRROIXDVMT-UEXGIBASSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@@]3(C)C2)C1 ZINC001092273965 954660606 /nfs/dbraw/zinc/66/06/06/954660606.db2.gz YDZPSRROIXDVMT-UEXGIBASSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](C[C@H]4CCOC4)C[C@@]3(C)C2)CC1 ZINC001092299976 954747058 /nfs/dbraw/zinc/74/70/58/954747058.db2.gz MAKXLVHGSMQUHK-QFUCXCTJSA-N 2 1 359.514 1.148 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522872 955316486 /nfs/dbraw/zinc/31/64/86/955316486.db2.gz WPYIRXJEPISDNH-MISYRCLQSA-N 2 1 355.482 1.053 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001092522872 955316495 /nfs/dbraw/zinc/31/64/95/955316495.db2.gz WPYIRXJEPISDNH-MISYRCLQSA-N 2 1 355.482 1.053 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001092522872 955316501 /nfs/dbraw/zinc/31/65/01/955316501.db2.gz WPYIRXJEPISDNH-MISYRCLQSA-N 2 1 355.482 1.053 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001092522872 955316508 /nfs/dbraw/zinc/31/65/08/955316508.db2.gz WPYIRXJEPISDNH-MISYRCLQSA-N 2 1 355.482 1.053 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001092689316 956196408 /nfs/dbraw/zinc/19/64/08/956196408.db2.gz ILCRJLMLRPJEJI-MDZRGWNJSA-N 2 1 370.522 1.901 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001092689316 956196416 /nfs/dbraw/zinc/19/64/16/956196416.db2.gz ILCRJLMLRPJEJI-MDZRGWNJSA-N 2 1 370.522 1.901 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001092689316 956196422 /nfs/dbraw/zinc/19/64/22/956196422.db2.gz ILCRJLMLRPJEJI-MDZRGWNJSA-N 2 1 370.522 1.901 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C#N)s2)C[C@H]1C ZINC001092689316 956196428 /nfs/dbraw/zinc/19/64/28/956196428.db2.gz ILCRJLMLRPJEJI-MDZRGWNJSA-N 2 1 370.522 1.901 20 30 FDEDMP C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001093487372 958310681 /nfs/dbraw/zinc/31/06/81/958310681.db2.gz COHIZCCRCNABSM-FCGDIQPGSA-N 2 1 367.497 1.286 20 30 FDEDMP C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001093487372 958310696 /nfs/dbraw/zinc/31/06/96/958310696.db2.gz COHIZCCRCNABSM-FCGDIQPGSA-N 2 1 367.497 1.286 20 30 FDEDMP C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001093487372 958310708 /nfs/dbraw/zinc/31/07/08/958310708.db2.gz COHIZCCRCNABSM-FCGDIQPGSA-N 2 1 367.497 1.286 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC001093672724 958514276 /nfs/dbraw/zinc/51/42/76/958514276.db2.gz BKVINIJPHVRFHS-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)cn2)[C@H](C)C1 ZINC001093833019 958927152 /nfs/dbraw/zinc/92/71/52/958927152.db2.gz NEPODTAVSMIFDT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnc(C)cn2)[C@H](C)C1 ZINC001093833019 958927156 /nfs/dbraw/zinc/92/71/56/958927156.db2.gz NEPODTAVSMIFDT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C3CC3)no2)[C@H](C)C1 ZINC001093833165 958928576 /nfs/dbraw/zinc/92/85/76/958928576.db2.gz VKRUHKUEXICCSV-MDYRTPRTSA-N 2 1 370.497 1.834 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(C3CC3)no2)[C@H](C)C1 ZINC001093833165 958928578 /nfs/dbraw/zinc/92/85/78/958928578.db2.gz VKRUHKUEXICCSV-MDYRTPRTSA-N 2 1 370.497 1.834 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCOC(C)C)CC1 ZINC001110152255 959532465 /nfs/dbraw/zinc/53/24/65/959532465.db2.gz LNBQXGAHVTUBJG-AABGKKOBSA-N 2 1 361.530 1.868 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001094220609 960042675 /nfs/dbraw/zinc/04/26/75/960042675.db2.gz JPXIWBUCKDXMGV-NZSAHSFTSA-N 2 1 370.497 1.725 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cc(F)ccc1C#N ZINC001094221166 960046746 /nfs/dbraw/zinc/04/67/46/960046746.db2.gz VACYPTLLAAZZTH-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474437 960641720 /nfs/dbraw/zinc/64/17/20/960641720.db2.gz ZORMONMCFTUZIA-LONDADKYSA-N 2 1 359.514 1.787 20 30 FDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474437 960641732 /nfs/dbraw/zinc/64/17/32/960641732.db2.gz ZORMONMCFTUZIA-LONDADKYSA-N 2 1 359.514 1.787 20 30 FDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474437 960641750 /nfs/dbraw/zinc/64/17/50/960641750.db2.gz ZORMONMCFTUZIA-LONDADKYSA-N 2 1 359.514 1.787 20 30 FDEDMP C[N@H+]1CCCN(CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172976712 961860442 /nfs/dbraw/zinc/86/04/42/961860442.db2.gz SCOSQUZNCWNWDP-IRXDYDNUSA-N 2 1 365.522 1.505 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185783910 964100616 /nfs/dbraw/zinc/10/06/16/964100616.db2.gz LMFZHPIYMKNUDH-AQNXPRMDSA-N 2 1 357.498 1.725 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189470297 966981976 /nfs/dbraw/zinc/98/19/76/966981976.db2.gz FOSFIAWTEANCPT-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189470297 966981985 /nfs/dbraw/zinc/98/19/85/966981985.db2.gz FOSFIAWTEANCPT-ZWKOTPCHSA-N 2 1 364.534 1.286 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000852871902 967677761 /nfs/dbraw/zinc/67/77/61/967677761.db2.gz DTMNVWYHEHVYGY-GOSISDBHSA-N 2 1 371.481 1.397 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C#CC3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000852871902 967677767 /nfs/dbraw/zinc/67/77/67/967677767.db2.gz DTMNVWYHEHVYGY-GOSISDBHSA-N 2 1 371.481 1.397 20 30 FDEDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]([NH3+])CCCCC#N)CC2)cc1 ZINC000848414977 976723441 /nfs/dbraw/zinc/72/34/41/976723441.db2.gz GSJGDOFUVZXGHM-LJQANCHMSA-N 2 1 373.501 1.345 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000849081901 977306989 /nfs/dbraw/zinc/30/69/89/977306989.db2.gz PQNYPYYEWFGVPR-RBSFLKMASA-N 2 1 364.494 1.344 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849522201 977716305 /nfs/dbraw/zinc/71/63/05/977716305.db2.gz JWRHRHFZJIQNGE-RTBURBONSA-N 2 1 359.518 1.612 20 30 FDEDMP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000373142469 991952610 /nfs/dbraw/zinc/95/26/10/991952610.db2.gz UEIFJQIZWXYESK-UHFFFAOYSA-N 2 1 370.497 1.609 20 30 FDEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C[C@H](O)COc1ccccc1C#N ZINC000887134467 996961154 /nfs/dbraw/zinc/96/11/54/996961154.db2.gz KFTVFOVWPCQKAH-APWZRJJASA-N 2 1 352.438 1.904 20 30 FDEDMP C[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000887134467 996961159 /nfs/dbraw/zinc/96/11/59/996961159.db2.gz KFTVFOVWPCQKAH-APWZRJJASA-N 2 1 352.438 1.904 20 30 FDEDMP C[C@H]1CCCC[N@H+]1CCCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264082291 997398249 /nfs/dbraw/zinc/39/82/49/997398249.db2.gz HUJYGICHUUAXLN-KRWDZBQOSA-N 2 1 359.522 1.568 20 30 FDEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCc1cccc(C#N)c1 ZINC000466819315 999978597 /nfs/dbraw/zinc/97/85/97/999978597.db2.gz LXUKJOIHJRNFKH-UHFFFAOYSA-N 2 1 357.502 1.768 20 30 FDEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCc1cccc(C#N)c1 ZINC000466819315 999978598 /nfs/dbraw/zinc/97/85/98/999978598.db2.gz LXUKJOIHJRNFKH-UHFFFAOYSA-N 2 1 357.502 1.768 20 30 FDEDMP C#CC1(O)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000931144690 1003922163 /nfs/dbraw/zinc/92/21/63/1003922163.db2.gz BKDDUAURGJBWFX-UHFFFAOYSA-N 2 1 355.482 1.359 20 30 FDEDMP C#CC1(O)CC[NH+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000931144884 1003922242 /nfs/dbraw/zinc/92/22/42/1003922242.db2.gz IZLZFSBMJKSUOV-UHFFFAOYSA-N 2 1 369.509 1.536 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)CC[N@@H+]1C ZINC000959963810 1009215134 /nfs/dbraw/zinc/21/51/34/1009215134.db2.gz FMGQIYSEDVADKU-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccccc4C#N)C[C@H]32)CC[N@H+]1C ZINC000959963810 1009215146 /nfs/dbraw/zinc/21/51/46/1009215146.db2.gz FMGQIYSEDVADKU-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4C#N)C[C@H]32)CC[NH+]1C ZINC000959963810 1009215160 /nfs/dbraw/zinc/21/51/60/1009215160.db2.gz FMGQIYSEDVADKU-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4C#N)C[C@H]32)CC[NH+]1C ZINC000959963810 1009215178 /nfs/dbraw/zinc/21/51/78/1009215178.db2.gz FMGQIYSEDVADKU-CENDIDJXSA-N 2 1 352.482 1.835 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000245943128 178390115 /nfs/dbraw/zinc/39/01/15/178390115.db2.gz VTAAJTQXPZYQCT-RTBURBONSA-N 2 1 358.486 1.010 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccc(C#N)cc3OC)C2)CC1 ZINC000132983696 173250275 /nfs/dbraw/zinc/25/02/75/173250275.db2.gz TZXWOUXBCLBXDY-GOSISDBHSA-N 2 1 358.486 1.657 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158904347 524549656 /nfs/dbraw/zinc/54/96/56/524549656.db2.gz WGBBGLKHGHQWDN-MRXNPFEDSA-N 2 1 350.507 1.975 20 30 FDEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158904347 524549661 /nfs/dbraw/zinc/54/96/61/524549661.db2.gz WGBBGLKHGHQWDN-MRXNPFEDSA-N 2 1 350.507 1.975 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000106330745 525692640 /nfs/dbraw/zinc/69/26/40/525692640.db2.gz DQOXERZYENKOBC-UHFFFAOYSA-N 2 1 351.539 1.352 20 30 FDEDMP C[NH+]1CCN(c2ncc(C[NH2+]CCOc3ccc(C#N)cc3)cn2)CC1 ZINC000134366238 526150487 /nfs/dbraw/zinc/15/04/87/526150487.db2.gz APRZUKFFUSMRAY-UHFFFAOYSA-N 2 1 352.442 1.269 20 30 FDEDMP C#CCOc1ccccc1CNC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000265204294 537152279 /nfs/dbraw/zinc/15/22/79/537152279.db2.gz UKUZEMDXRUWEQW-UHFFFAOYSA-N 2 1 372.513 1.866 20 30 FDEDMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564843649 547063671 /nfs/dbraw/zinc/06/36/71/547063671.db2.gz DVWWMMQIHMYQNZ-INIZCTEOSA-N 2 1 364.515 1.829 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000566117052 547612969 /nfs/dbraw/zinc/61/29/69/547612969.db2.gz RUUCQFHKKLSWOK-JZXOWHBKSA-N 2 1 350.532 1.927 20 30 FDEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000566117052 547612975 /nfs/dbraw/zinc/61/29/75/547612975.db2.gz RUUCQFHKKLSWOK-JZXOWHBKSA-N 2 1 350.532 1.927 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCSC[C@H]3C#N)CC2)CC1 ZINC000582914080 551280824 /nfs/dbraw/zinc/28/08/24/551280824.db2.gz AKXXBMQIDAMQOR-QGZVFWFLSA-N 2 1 350.532 1.650 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000594437898 552309583 /nfs/dbraw/zinc/30/95/83/552309583.db2.gz LJEDHOXWLZDNQB-WMZOPIPTSA-N 2 1 371.485 1.734 20 30 FDEDMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438497 552310246 /nfs/dbraw/zinc/31/02/46/552310246.db2.gz JGWOTRABSLSOAW-IBGZPJMESA-N 2 1 357.502 1.678 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2)cc(OC)c1 ZINC000594439549 552310691 /nfs/dbraw/zinc/31/06/91/552310691.db2.gz RREBNJDNZVGORB-VQIMIIECSA-N 2 1 374.485 1.806 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C2)cc(OC)c1 ZINC000594439549 552310692 /nfs/dbraw/zinc/31/06/92/552310692.db2.gz RREBNJDNZVGORB-VQIMIIECSA-N 2 1 374.485 1.806 20 30 FDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)CC1 ZINC000600730465 553308558 /nfs/dbraw/zinc/30/85/58/553308558.db2.gz OYZIUFUOPULZBL-SFHVURJKSA-N 2 1 353.507 1.537 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000634340260 558452510 /nfs/dbraw/zinc/45/25/10/558452510.db2.gz HQLPYSFOGBDCLO-KURKYZTESA-N 2 1 374.533 1.776 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000634340260 558452512 /nfs/dbraw/zinc/45/25/12/558452512.db2.gz HQLPYSFOGBDCLO-KURKYZTESA-N 2 1 374.533 1.776 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000634340260 558452514 /nfs/dbraw/zinc/45/25/14/558452514.db2.gz HQLPYSFOGBDCLO-KURKYZTESA-N 2 1 374.533 1.776 20 30 FDEDMP CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262812968 672851074 /nfs/dbraw/zinc/85/10/74/672851074.db2.gz UWVZEPYKLLPPCO-RGPMPMONSA-N 2 1 367.607 1.994 20 30 FDEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262812968 672851079 /nfs/dbraw/zinc/85/10/79/672851079.db2.gz UWVZEPYKLLPPCO-RGPMPMONSA-N 3 1 367.607 1.994 20 30 FDEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262812968 672851084 /nfs/dbraw/zinc/85/10/84/672851084.db2.gz UWVZEPYKLLPPCO-RGPMPMONSA-N 3 1 367.607 1.994 20 30 FDEDMP CC[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(C(=O)C(C)C)CC1 ZINC000262816100 672851269 /nfs/dbraw/zinc/85/12/69/672851269.db2.gz VQINNHBQBVFWOE-SFHVURJKSA-N 2 1 369.579 1.189 20 30 FDEDMP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000303777052 676542775 /nfs/dbraw/zinc/54/27/75/676542775.db2.gz ILOHOEKHIGKKJN-OKILXGFUSA-N 2 1 350.463 1.930 20 30 FDEDMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303889635 676543717 /nfs/dbraw/zinc/54/37/17/676543717.db2.gz PPYAASXOQNSRHJ-IRXDYDNUSA-N 3 1 353.555 1.370 20 30 FDEDMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000329776419 676655084 /nfs/dbraw/zinc/65/50/84/676655084.db2.gz OCIOQPNUPOLPIC-IAGOWNOFSA-N 2 1 352.523 1.864 20 30 FDEDMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329978941 676666849 /nfs/dbraw/zinc/66/68/49/676666849.db2.gz INZNSYKXKJHHTQ-SJORKVTESA-N 2 1 351.539 1.533 20 30 FDEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000329978941 676666851 /nfs/dbraw/zinc/66/68/51/676666851.db2.gz INZNSYKXKJHHTQ-SJORKVTESA-N 2 1 351.539 1.533 20 30 FDEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329978941 676666853 /nfs/dbraw/zinc/66/68/53/676666853.db2.gz INZNSYKXKJHHTQ-SJORKVTESA-N 2 1 351.539 1.533 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[N@H+]1C1CC1 ZINC000330189215 676677541 /nfs/dbraw/zinc/67/75/41/676677541.db2.gz VBOBTPAHXMMFRW-SIUPPRGNSA-N 2 1 350.507 1.493 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000480570657 686190323 /nfs/dbraw/zinc/19/03/23/686190323.db2.gz WGVSMYYBLXNHJM-ZWKOTPCHSA-N 2 1 352.523 1.393 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000480570655 686190522 /nfs/dbraw/zinc/19/05/22/686190522.db2.gz WGVSMYYBLXNHJM-ROUUACIJSA-N 2 1 352.523 1.393 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000519283695 690196947 /nfs/dbraw/zinc/19/69/47/690196947.db2.gz WXHHNDOQBWBPDL-SFHVURJKSA-N 2 1 352.523 1.683 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)o2)C1 ZINC001104306293 774443380 /nfs/dbraw/zinc/44/33/80/774443380.db2.gz WCOQFBFIKHPPMR-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)o2)C1 ZINC001104306293 774443383 /nfs/dbraw/zinc/44/33/83/774443383.db2.gz WCOQFBFIKHPPMR-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310783 774562265 /nfs/dbraw/zinc/56/22/65/774562265.db2.gz IKLODHZJGOBGII-KURKYZTESA-N 2 1 364.534 1.237 20 30 FDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001112518409 783630656 /nfs/dbraw/zinc/63/06/56/783630656.db2.gz HVRCWTQXNJUBLT-LQWHRVPQSA-N 2 1 354.498 1.996 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111950880 786995583 /nfs/dbraw/zinc/99/55/83/786995583.db2.gz GMMBUWFYYHPDPO-ZWOKBUDYSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950880 786995588 /nfs/dbraw/zinc/99/55/88/786995588.db2.gz GMMBUWFYYHPDPO-ZWOKBUDYSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111950880 786995592 /nfs/dbraw/zinc/99/55/92/786995592.db2.gz GMMBUWFYYHPDPO-ZWOKBUDYSA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCNC(=O)NC(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377770801 792760501 /nfs/dbraw/zinc/76/05/01/792760501.db2.gz QHVOXOXMHAUCNJ-ZWKOTPCHSA-N 2 1 356.470 1.452 20 30 FDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000974602690 799882332 /nfs/dbraw/zinc/88/23/32/799882332.db2.gz MSKWCSVYARJLCM-QYZOEREBSA-N 2 1 361.530 1.583 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001026916831 800176403 /nfs/dbraw/zinc/17/64/03/800176403.db2.gz PVRARWJEBDQVIV-CKEIUWERSA-N 2 1 362.499 1.277 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC001026916831 800176410 /nfs/dbraw/zinc/17/64/10/800176410.db2.gz PVRARWJEBDQVIV-CKEIUWERSA-N 2 1 362.499 1.277 20 30 FDEDMP C=CC[C@]1(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC[NH2+]1 ZINC000662534074 806833500 /nfs/dbraw/zinc/83/35/00/806833500.db2.gz CROAELGRJZFENF-MRXNPFEDSA-N 2 1 363.424 1.798 20 30 FDEDMP C=CC[C@@]1(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662693426 806963514 /nfs/dbraw/zinc/96/35/14/806963514.db2.gz VTYSQDUPRYCXGZ-NRFANRHFSA-N 2 1 370.497 1.640 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001028550377 810621459 /nfs/dbraw/zinc/62/14/59/810621459.db2.gz OPOGRTQMLXQGIF-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001028550377 810621463 /nfs/dbraw/zinc/62/14/63/810621463.db2.gz OPOGRTQMLXQGIF-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001028550377 810621472 /nfs/dbraw/zinc/62/14/72/810621472.db2.gz OPOGRTQMLXQGIF-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367030670 814258281 /nfs/dbraw/zinc/25/82/81/814258281.db2.gz ROSTWVFPHCZCOI-FXAWDEMLSA-N 2 1 369.513 1.845 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087476918 818393990 /nfs/dbraw/zinc/39/39/90/818393990.db2.gz MAMHKIUMFOZLQM-HOJAQTOUSA-N 2 1 355.482 1.554 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087476918 818393995 /nfs/dbraw/zinc/39/39/95/818393995.db2.gz MAMHKIUMFOZLQM-HOJAQTOUSA-N 2 1 355.482 1.554 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087476918 818394003 /nfs/dbraw/zinc/39/40/03/818394003.db2.gz MAMHKIUMFOZLQM-HOJAQTOUSA-N 2 1 355.482 1.554 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087476918 818394009 /nfs/dbraw/zinc/39/40/09/818394009.db2.gz MAMHKIUMFOZLQM-HOJAQTOUSA-N 2 1 355.482 1.554 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1cc(C#N)ccc1OC ZINC001087828249 822519764 /nfs/dbraw/zinc/51/97/64/822519764.db2.gz FMMSZGGGSCQUCG-NZSAHSFTSA-N 2 1 370.497 1.988 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1cc(C#N)ccc1OC ZINC001087828249 822519765 /nfs/dbraw/zinc/51/97/65/822519765.db2.gz FMMSZGGGSCQUCG-NZSAHSFTSA-N 2 1 370.497 1.988 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1cc(C#N)ccc1OC ZINC001087828249 822519766 /nfs/dbraw/zinc/51/97/66/822519766.db2.gz FMMSZGGGSCQUCG-NZSAHSFTSA-N 2 1 370.497 1.988 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnoc3C)CC[C@@H]2C1 ZINC001087997831 825072080 /nfs/dbraw/zinc/07/20/80/825072080.db2.gz BERPNUNBTGPMNB-NEWSRXKRSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnoc3C)CC[C@@H]2C1 ZINC001087997831 825072088 /nfs/dbraw/zinc/07/20/88/825072088.db2.gz BERPNUNBTGPMNB-NEWSRXKRSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnoc3C)CC[C@@H]2C1 ZINC001087997831 825072094 /nfs/dbraw/zinc/07/20/94/825072094.db2.gz BERPNUNBTGPMNB-NEWSRXKRSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnoc3C)CC[C@@H]2C1 ZINC001087997831 825072103 /nfs/dbraw/zinc/07/21/03/825072103.db2.gz BERPNUNBTGPMNB-NEWSRXKRSA-N 2 1 356.470 1.361 20 30 FDEDMP C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)CN1CCOCC1 ZINC000330204364 825731853 /nfs/dbraw/zinc/73/18/53/825731853.db2.gz BNRZGFUUPURXED-IRXDYDNUSA-N 2 1 368.522 1.054 20 30 FDEDMP C[C@@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000330204364 825731860 /nfs/dbraw/zinc/73/18/60/825731860.db2.gz BNRZGFUUPURXED-IRXDYDNUSA-N 2 1 368.522 1.054 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)C1 ZINC001088199449 827429947 /nfs/dbraw/zinc/42/99/47/827429947.db2.gz OIHUKYQYKPHCEF-AABGKKOBSA-N 2 1 369.484 1.909 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)C1 ZINC001088199449 827429950 /nfs/dbraw/zinc/42/99/50/827429950.db2.gz OIHUKYQYKPHCEF-AABGKKOBSA-N 2 1 369.484 1.909 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](CC#Cc4ccc(F)cc4)CC[C@@H]3C2)C1 ZINC001088199449 827429954 /nfs/dbraw/zinc/42/99/54/827429954.db2.gz OIHUKYQYKPHCEF-AABGKKOBSA-N 2 1 369.484 1.909 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)s4)CC[C@@H]3C2)C1 ZINC001088200355 827434177 /nfs/dbraw/zinc/43/41/77/827434177.db2.gz ZQSQAWNNTFHZIX-PMPSAXMXSA-N 2 1 358.511 1.852 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)C1 ZINC001088200355 827434179 /nfs/dbraw/zinc/43/41/79/827434179.db2.gz ZQSQAWNNTFHZIX-PMPSAXMXSA-N 2 1 358.511 1.852 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)C1 ZINC001088200355 827434182 /nfs/dbraw/zinc/43/41/82/827434182.db2.gz ZQSQAWNNTFHZIX-PMPSAXMXSA-N 2 1 358.511 1.852 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)s4)CC[C@@H]3C2)C1 ZINC001088200354 827434477 /nfs/dbraw/zinc/43/44/77/827434477.db2.gz ZQSQAWNNTFHZIX-OAGGEKHMSA-N 2 1 358.511 1.852 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)C1 ZINC001088200354 827434481 /nfs/dbraw/zinc/43/44/81/827434481.db2.gz ZQSQAWNNTFHZIX-OAGGEKHMSA-N 2 1 358.511 1.852 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)s4)CC[C@@H]3C2)C1 ZINC001088200354 827434486 /nfs/dbraw/zinc/43/44/86/827434486.db2.gz ZQSQAWNNTFHZIX-OAGGEKHMSA-N 2 1 358.511 1.852 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)CC1 ZINC001088212117 827493710 /nfs/dbraw/zinc/49/37/10/827493710.db2.gz QIGOIZSYYYSJCY-UXHICEINSA-N 2 1 369.513 1.046 20 30 FDEDMP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001088234508 827598543 /nfs/dbraw/zinc/59/85/43/827598543.db2.gz UTKJUKWRSXTQKC-SLFFLAALSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001088234508 827598545 /nfs/dbraw/zinc/59/85/45/827598545.db2.gz UTKJUKWRSXTQKC-SLFFLAALSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001088234508 827598549 /nfs/dbraw/zinc/59/85/49/827598549.db2.gz UTKJUKWRSXTQKC-SLFFLAALSA-N 2 1 361.530 1.679 20 30 FDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000451601908 830405297 /nfs/dbraw/zinc/40/52/97/830405297.db2.gz CJGJJEJUQARNPE-UXHICEINSA-N 2 1 373.497 1.663 20 30 FDEDMP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000451601908 830405299 /nfs/dbraw/zinc/40/52/99/830405299.db2.gz CJGJJEJUQARNPE-UXHICEINSA-N 2 1 373.497 1.663 20 30 FDEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C[C@H](C)O1 ZINC000332722265 834765303 /nfs/dbraw/zinc/76/53/03/834765303.db2.gz HBZBFGSVEJROEK-YRNRMSPPSA-N 2 1 362.518 1.616 20 30 FDEDMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C[C@H](C)O1 ZINC000332722265 834765309 /nfs/dbraw/zinc/76/53/09/834765309.db2.gz HBZBFGSVEJROEK-YRNRMSPPSA-N 2 1 362.518 1.616 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N(C)Cc1ccc[nH]1 ZINC000262815983 837907298 /nfs/dbraw/zinc/90/72/98/837907298.db2.gz WPJFOQSWCNERBW-UHFFFAOYSA-N 2 1 360.550 1.972 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637329 842270831 /nfs/dbraw/zinc/27/08/31/842270831.db2.gz NFCXOZYDIDFKNA-VURPSTOHSA-N 2 1 361.530 1.460 20 30 FDEDMP C=C(CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000898986330 845580240 /nfs/dbraw/zinc/58/02/40/845580240.db2.gz ABKRXNBFBNYSNX-HOTGVXAUSA-N 2 1 364.534 1.521 20 30 FDEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C ZINC001076253824 847681137 /nfs/dbraw/zinc/68/11/37/847681137.db2.gz TVTUUEMXMBMATA-YTQUADARSA-N 2 1 370.497 1.940 20 30 FDEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21)[NH+](C)C ZINC001076253824 847681147 /nfs/dbraw/zinc/68/11/47/847681147.db2.gz TVTUUEMXMBMATA-YTQUADARSA-N 2 1 370.497 1.940 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(F)cn4)C[C@H]32)CC1 ZINC001076604503 848553664 /nfs/dbraw/zinc/55/36/64/848553664.db2.gz JKGFYDAWSWCWQW-FXAWDEMLSA-N 2 1 370.472 1.599 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(F)cn4)C[C@H]32)CC1 ZINC001076604503 848553667 /nfs/dbraw/zinc/55/36/67/848553667.db2.gz JKGFYDAWSWCWQW-FXAWDEMLSA-N 2 1 370.472 1.599 20 30 FDEDMP COCCOCCCNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912499137 859826720 /nfs/dbraw/zinc/82/67/20/859826720.db2.gz LRHIQHYITKCXOJ-UHFFFAOYSA-N 2 1 358.527 1.096 20 30 FDEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NC[C@@](C)(O)c1ccco1 ZINC000912506608 859831702 /nfs/dbraw/zinc/83/17/02/859831702.db2.gz RIIMOHKOZWJDJF-LJQANCHMSA-N 2 1 366.506 1.543 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cc(C)ncn3)[C@@H]2C)CC1 ZINC001089059182 866381110 /nfs/dbraw/zinc/38/11/10/866381110.db2.gz CMBZFDOMFALFIP-APWZRJJASA-N 2 1 355.486 1.209 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cc(C)ncn3)[C@@H]2C)CC1 ZINC001089059182 866381115 /nfs/dbraw/zinc/38/11/15/866381115.db2.gz CMBZFDOMFALFIP-APWZRJJASA-N 2 1 355.486 1.209 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ncccc3C)[C@@H]2C)CC1 ZINC001089060177 866390795 /nfs/dbraw/zinc/39/07/95/866390795.db2.gz XRVHOZVTVRHJNY-MJGOQNOKSA-N 2 1 354.498 1.814 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@H]1C ZINC001106349815 874867766 /nfs/dbraw/zinc/86/77/66/874867766.db2.gz REFGPIGNTFSOEY-QZTJIDSGSA-N 2 1 363.546 1.973 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106434688 875300401 /nfs/dbraw/zinc/30/04/01/875300401.db2.gz CLKNSMFCXOWYIW-IAGOWNOFSA-N 2 1 360.502 1.649 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CC1 ZINC000917091639 882970468 /nfs/dbraw/zinc/97/04/68/882970468.db2.gz AABQSHIQPUIJPH-SJORKVTESA-N 2 1 352.548 1.906 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106726893 876999580 /nfs/dbraw/zinc/99/95/80/876999580.db2.gz CEZFNKBWALYHCW-QZTJIDSGSA-N 2 1 360.502 1.731 20 30 FDEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC001106766088 877663420 /nfs/dbraw/zinc/66/34/20/877663420.db2.gz AREPSMGKOYQOAM-TZIWHRDSSA-N 2 1 369.509 1.445 20 30 FDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089941582 912557330 /nfs/dbraw/zinc/55/73/30/912557330.db2.gz JEGTUZKDINOXNX-GBESFXJTSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089941582 912557338 /nfs/dbraw/zinc/55/73/38/912557338.db2.gz JEGTUZKDINOXNX-GBESFXJTSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089941582 912557350 /nfs/dbraw/zinc/55/73/50/912557350.db2.gz JEGTUZKDINOXNX-GBESFXJTSA-N 2 1 361.530 1.727 20 30 FDEDMP C=CCN1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004264 884994155 /nfs/dbraw/zinc/99/41/55/884994155.db2.gz NUTDAYUQGHOHBS-XHSDSOJGSA-N 2 1 357.462 1.216 20 30 FDEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077554109 886709664 /nfs/dbraw/zinc/70/96/64/886709664.db2.gz YOELXNUDNJSMCP-VAMGGRTRSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077554109 886709676 /nfs/dbraw/zinc/70/96/76/886709676.db2.gz YOELXNUDNJSMCP-VAMGGRTRSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077554109 886709684 /nfs/dbraw/zinc/70/96/84/886709684.db2.gz YOELXNUDNJSMCP-VAMGGRTRSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077554109 886709696 /nfs/dbraw/zinc/70/96/96/886709696.db2.gz YOELXNUDNJSMCP-VAMGGRTRSA-N 2 1 370.497 1.342 20 30 FDEDMP C[NH+]=C(NCc1cccc(N2CCCC2=O)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083166990 901916210 /nfs/dbraw/zinc/91/62/10/901916210.db2.gz YSAZSQPYFOHAQA-MRXNPFEDSA-N 2 1 355.486 1.715 20 30 FDEDMP C[NH+]=C(NCc1cccc(N2CCCC2=O)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083166990 901916222 /nfs/dbraw/zinc/91/62/22/901916222.db2.gz YSAZSQPYFOHAQA-MRXNPFEDSA-N 2 1 355.486 1.715 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC=C)C1 ZINC001079187483 902133460 /nfs/dbraw/zinc/13/34/60/902133460.db2.gz IYYUOZZUUWLTOE-ZCNNSNEGSA-N 2 1 355.457 1.993 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CC=C)C1 ZINC001079187483 902133475 /nfs/dbraw/zinc/13/34/75/902133475.db2.gz IYYUOZZUUWLTOE-ZCNNSNEGSA-N 2 1 355.457 1.993 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082567841 908704597 /nfs/dbraw/zinc/70/45/97/908704597.db2.gz FXMCJQWJERMVTK-AHRSYUTCSA-N 2 1 350.466 1.592 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC001082567841 908704610 /nfs/dbraw/zinc/70/46/10/908704610.db2.gz FXMCJQWJERMVTK-AHRSYUTCSA-N 2 1 350.466 1.592 20 30 FDEDMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082742236 909943723 /nfs/dbraw/zinc/94/37/23/909943723.db2.gz XOHUJYCLUUBURE-QMTMVMCOSA-N 2 1 358.461 1.976 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409600 911778145 /nfs/dbraw/zinc/77/81/45/911778145.db2.gz ISKPHPVORBWUCJ-QRVBRYPASA-N 2 1 356.470 1.214 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001212409600 911778151 /nfs/dbraw/zinc/77/81/51/911778151.db2.gz ISKPHPVORBWUCJ-QRVBRYPASA-N 2 1 356.470 1.214 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000730284744 916470598 /nfs/dbraw/zinc/47/05/98/916470598.db2.gz BUNGFSHNPMVOOA-NRFANRHFSA-N 2 1 368.525 1.360 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000730284744 916470607 /nfs/dbraw/zinc/47/06/07/916470607.db2.gz BUNGFSHNPMVOOA-NRFANRHFSA-N 2 1 368.525 1.360 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000730284744 916470614 /nfs/dbraw/zinc/47/06/14/916470614.db2.gz BUNGFSHNPMVOOA-NRFANRHFSA-N 2 1 368.525 1.360 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000730284744 916470619 /nfs/dbraw/zinc/47/06/19/916470619.db2.gz BUNGFSHNPMVOOA-NRFANRHFSA-N 2 1 368.525 1.360 20 30 FDEDMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084773419 917025594 /nfs/dbraw/zinc/02/55/94/917025594.db2.gz OZTJMMFQJRUJHN-HDMKZQKVSA-N 2 1 358.511 1.994 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084773419 917025603 /nfs/dbraw/zinc/02/56/03/917025603.db2.gz OZTJMMFQJRUJHN-HDMKZQKVSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084773419 917025619 /nfs/dbraw/zinc/02/56/19/917025619.db2.gz OZTJMMFQJRUJHN-HDMKZQKVSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)C1 ZINC001084773419 917025632 /nfs/dbraw/zinc/02/56/32/917025632.db2.gz OZTJMMFQJRUJHN-HDMKZQKVSA-N 2 1 358.511 1.994 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001084958165 918848433 /nfs/dbraw/zinc/84/84/33/918848433.db2.gz OJGWJNBGEKHCKQ-QYZOEREBSA-N 2 1 359.518 1.702 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001084958165 918848440 /nfs/dbraw/zinc/84/84/40/918848440.db2.gz OJGWJNBGEKHCKQ-QYZOEREBSA-N 2 1 359.518 1.702 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC001085054055 920163151 /nfs/dbraw/zinc/16/31/51/920163151.db2.gz HPNADGDOLXCWMN-WBVHZDCISA-N 2 1 365.909 1.734 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC001085054055 920163160 /nfs/dbraw/zinc/16/31/60/920163160.db2.gz HPNADGDOLXCWMN-WBVHZDCISA-N 2 1 365.909 1.734 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001086371031 926882157 /nfs/dbraw/zinc/88/21/57/926882157.db2.gz MNZYCZXKGMQXKO-YCEFEEMOSA-N 2 1 370.497 1.891 20 30 FDEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC#CCOC)C1 ZINC001112586170 931772347 /nfs/dbraw/zinc/77/23/47/931772347.db2.gz KUONVLDMAKDWOS-ZJOUEHCJSA-N 2 1 361.530 1.729 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001086588272 933608071 /nfs/dbraw/zinc/60/80/71/933608071.db2.gz NCHGMBWTKNJIES-PCCBWWKXSA-N 2 1 351.494 1.936 20 30 FDEDMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001086600447 934081972 /nfs/dbraw/zinc/08/19/72/934081972.db2.gz UIMCTBZCTVAJAG-LBQNXCCASA-N 2 1 365.477 1.067 20 30 FDEDMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001086600447 934081984 /nfs/dbraw/zinc/08/19/84/934081984.db2.gz UIMCTBZCTVAJAG-LBQNXCCASA-N 2 1 365.477 1.067 20 30 FDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086600447 934081993 /nfs/dbraw/zinc/08/19/93/934081993.db2.gz UIMCTBZCTVAJAG-LBQNXCCASA-N 2 1 365.477 1.067 20 30 FDEDMP C#CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086600447 934082006 /nfs/dbraw/zinc/08/20/06/934082006.db2.gz UIMCTBZCTVAJAG-LBQNXCCASA-N 2 1 365.477 1.067 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137196 938709999 /nfs/dbraw/zinc/70/99/99/938709999.db2.gz NGJLJMXRKYKVPA-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130726417 940031388 /nfs/dbraw/zinc/03/13/88/940031388.db2.gz XCLUHRHOTLZPRA-FUHWJXTLSA-N 2 1 356.474 1.475 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994095 940416122 /nfs/dbraw/zinc/41/61/22/940416122.db2.gz FYUHLPBOYVVPCX-BSDSXHPESA-N 2 1 359.518 1.611 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131012431 940444213 /nfs/dbraw/zinc/44/42/13/940444213.db2.gz ISYHGCSDJKYIID-KZNAEPCWSA-N 2 1 357.502 1.202 20 30 FDEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131121080 940506433 /nfs/dbraw/zinc/50/64/33/940506433.db2.gz LXKSJRHJMHWUJH-KBAYOESNSA-N 2 1 370.501 1.864 20 30 FDEDMP C[N@@H+]1CCCN(c2ccc(-c3noc([C@H]([NH3+])CCCC#N)n3)cn2)CC1 ZINC000822951637 945330026 /nfs/dbraw/zinc/33/00/26/945330026.db2.gz WHMJGTAWUJFMNV-OAHLLOKOSA-N 2 1 355.446 1.967 20 30 FDEDMP C[N@H+]1CCCN(c2ccc(-c3noc([C@H]([NH3+])CCCC#N)n3)cn2)CC1 ZINC000822951637 945330034 /nfs/dbraw/zinc/33/00/34/945330034.db2.gz WHMJGTAWUJFMNV-OAHLLOKOSA-N 2 1 355.446 1.967 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001131608596 940788685 /nfs/dbraw/zinc/78/86/85/940788685.db2.gz HNMBDFDMSZBWGW-AQNXPRMDSA-N 2 1 361.530 1.870 20 30 FDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1C#N ZINC000810023505 940936227 /nfs/dbraw/zinc/93/62/27/940936227.db2.gz UMIJPPKEDZQJDY-KRWDZBQOSA-N 2 1 350.442 1.584 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000818588974 943297717 /nfs/dbraw/zinc/29/77/17/943297717.db2.gz LLCXSNOFMCQGDU-HDICACEKSA-N 2 1 357.498 1.981 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000818588974 943297724 /nfs/dbraw/zinc/29/77/24/943297724.db2.gz LLCXSNOFMCQGDU-HDICACEKSA-N 2 1 357.498 1.981 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000818588974 943297731 /nfs/dbraw/zinc/29/77/31/943297731.db2.gz LLCXSNOFMCQGDU-HDICACEKSA-N 2 1 357.498 1.981 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000818588974 943297738 /nfs/dbraw/zinc/29/77/38/943297738.db2.gz LLCXSNOFMCQGDU-HDICACEKSA-N 2 1 357.498 1.981 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640560 971102765 /nfs/dbraw/zinc/10/27/65/971102765.db2.gz GKMDALAJGIUYEU-BHIYHBOVSA-N 2 1 360.502 1.662 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001195640560 971102772 /nfs/dbraw/zinc/10/27/72/971102772.db2.gz GKMDALAJGIUYEU-BHIYHBOVSA-N 2 1 360.502 1.662 20 30 FDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O ZINC000846756594 951529602 /nfs/dbraw/zinc/52/96/02/951529602.db2.gz KIRPLJYZYGDEGE-OKILXGFUSA-N 2 1 353.470 1.986 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001091543523 951981355 /nfs/dbraw/zinc/98/13/55/951981355.db2.gz LZLKQAMFYLYQCG-SJBKTWHCSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001091543523 951981357 /nfs/dbraw/zinc/98/13/57/951981357.db2.gz LZLKQAMFYLYQCG-SJBKTWHCSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@]2(C)C1 ZINC001091543523 951981361 /nfs/dbraw/zinc/98/13/61/951981361.db2.gz LZLKQAMFYLYQCG-SJBKTWHCSA-N 2 1 351.494 1.913 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnoc3C)C[C@@]2(C)C1 ZINC001091748631 952794834 /nfs/dbraw/zinc/79/48/34/952794834.db2.gz QTHJFRCCYGPMPO-HBFSDRIKSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnoc3C)C[C@@]2(C)C1 ZINC001091748631 952794835 /nfs/dbraw/zinc/79/48/35/952794835.db2.gz QTHJFRCCYGPMPO-HBFSDRIKSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnoc3C)C[C@@]2(C)C1 ZINC001091748631 952794838 /nfs/dbraw/zinc/79/48/38/952794838.db2.gz QTHJFRCCYGPMPO-HBFSDRIKSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnoc3C)C[C@@]2(C)C1 ZINC001091748631 952794840 /nfs/dbraw/zinc/79/48/40/952794840.db2.gz QTHJFRCCYGPMPO-HBFSDRIKSA-N 2 1 356.470 1.361 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086984861 952999854 /nfs/dbraw/zinc/99/98/54/952999854.db2.gz HYTXTDMJMANWIJ-GVDBMIGSSA-N 2 1 365.909 1.541 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086984861 952999855 /nfs/dbraw/zinc/99/98/55/952999855.db2.gz HYTXTDMJMANWIJ-GVDBMIGSSA-N 2 1 365.909 1.541 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939046 971997712 /nfs/dbraw/zinc/99/77/12/971997712.db2.gz DITLBFJIKVQSBA-KZNAEPCWSA-N 2 1 353.507 1.005 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196939046 971997717 /nfs/dbraw/zinc/99/77/17/971997717.db2.gz DITLBFJIKVQSBA-KZNAEPCWSA-N 2 1 353.507 1.005 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4nccn4C)C[C@@]3(C)C2)CC1 ZINC001092300353 954749054 /nfs/dbraw/zinc/74/90/54/954749054.db2.gz WCWCRDZGCRGLEN-NQIIRXRSSA-N 2 1 369.513 1.046 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4nccn4C)C[C@@]3(C)C2)CC1 ZINC001092300353 954749062 /nfs/dbraw/zinc/74/90/62/954749062.db2.gz WCWCRDZGCRGLEN-NQIIRXRSSA-N 2 1 369.513 1.046 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521901 955312664 /nfs/dbraw/zinc/31/26/64/955312664.db2.gz GXAFDWZLWVUGCI-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092521901 955312674 /nfs/dbraw/zinc/31/26/74/955312674.db2.gz GXAFDWZLWVUGCI-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092521901 955312683 /nfs/dbraw/zinc/31/26/83/955312683.db2.gz GXAFDWZLWVUGCI-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092521901 955312693 /nfs/dbraw/zinc/31/26/93/955312693.db2.gz GXAFDWZLWVUGCI-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725449 956125450 /nfs/dbraw/zinc/12/54/50/956125450.db2.gz KXLRUXFMYOVJQC-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725449 956125459 /nfs/dbraw/zinc/12/54/59/956125459.db2.gz KXLRUXFMYOVJQC-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092725449 956125463 /nfs/dbraw/zinc/12/54/63/956125463.db2.gz KXLRUXFMYOVJQC-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092725449 956125474 /nfs/dbraw/zinc/12/54/74/956125474.db2.gz KXLRUXFMYOVJQC-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001092689914 956197887 /nfs/dbraw/zinc/19/78/87/956197887.db2.gz RJMOUYUCDJPSOV-HBGVWJBISA-N 2 1 368.525 1.980 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001092689914 956197895 /nfs/dbraw/zinc/19/78/95/956197895.db2.gz RJMOUYUCDJPSOV-HBGVWJBISA-N 2 1 368.525 1.980 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001092689914 956197898 /nfs/dbraw/zinc/19/78/98/956197898.db2.gz RJMOUYUCDJPSOV-HBGVWJBISA-N 2 1 368.525 1.980 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccc(C)nc2C)C[C@H]1C ZINC001092689914 956197904 /nfs/dbraw/zinc/19/79/04/956197904.db2.gz RJMOUYUCDJPSOV-HBGVWJBISA-N 2 1 368.525 1.980 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092689952 956198731 /nfs/dbraw/zinc/19/87/31/956198731.db2.gz UJFSPNFDSCYQDV-OIISXLGYSA-N 2 1 353.457 1.813 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092689952 956198738 /nfs/dbraw/zinc/19/87/38/956198738.db2.gz UJFSPNFDSCYQDV-OIISXLGYSA-N 2 1 353.457 1.813 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092689952 956198742 /nfs/dbraw/zinc/19/87/42/956198742.db2.gz UJFSPNFDSCYQDV-OIISXLGYSA-N 2 1 353.457 1.813 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC2CC(F)(F)C2)C[C@H]1C ZINC001092689952 956198744 /nfs/dbraw/zinc/19/87/44/956198744.db2.gz UJFSPNFDSCYQDV-OIISXLGYSA-N 2 1 353.457 1.813 20 30 FDEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001093400153 958038251 /nfs/dbraw/zinc/03/82/51/958038251.db2.gz IJNLPNZIPGSPQM-FXQQTDPRSA-N 2 1 351.491 1.021 20 30 FDEDMP C=CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001093400153 958038264 /nfs/dbraw/zinc/03/82/64/958038264.db2.gz IJNLPNZIPGSPQM-FXQQTDPRSA-N 2 1 351.491 1.021 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)cc2)[C@H](C)C1 ZINC001093832819 958925712 /nfs/dbraw/zinc/92/57/12/958925712.db2.gz BEKHKGOZKPOUNA-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)cc2)[C@H](C)C1 ZINC001093832819 958925721 /nfs/dbraw/zinc/92/57/21/958925721.db2.gz BEKHKGOZKPOUNA-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474436 960643266 /nfs/dbraw/zinc/64/32/66/960643266.db2.gz ZORMONMCFTUZIA-HSGZRYJKSA-N 2 1 359.514 1.787 20 30 FDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474436 960643270 /nfs/dbraw/zinc/64/32/70/960643270.db2.gz ZORMONMCFTUZIA-HSGZRYJKSA-N 2 1 359.514 1.787 20 30 FDEDMP C=CCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474436 960643279 /nfs/dbraw/zinc/64/32/79/960643279.db2.gz ZORMONMCFTUZIA-HSGZRYJKSA-N 2 1 359.514 1.787 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026891 966736749 /nfs/dbraw/zinc/73/67/49/966736749.db2.gz UMMWUGAAZZKRQW-FGTMMUONSA-N 2 1 364.534 1.284 20 30 FDEDMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189898811 967416273 /nfs/dbraw/zinc/41/62/73/967416273.db2.gz PHAOMYKLCFHPJE-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189898811 967416283 /nfs/dbraw/zinc/41/62/83/967416283.db2.gz PHAOMYKLCFHPJE-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189898811 967416289 /nfs/dbraw/zinc/41/62/89/967416289.db2.gz PHAOMYKLCFHPJE-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)C[C@H]21 ZINC001189898811 967416295 /nfs/dbraw/zinc/41/62/95/967416295.db2.gz PHAOMYKLCFHPJE-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852861958 967667114 /nfs/dbraw/zinc/66/71/14/967667114.db2.gz ODTBKNAFBGSLOO-UHFFFAOYSA-N 2 1 354.454 1.016 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC000854094061 968587677 /nfs/dbraw/zinc/58/76/77/968587677.db2.gz CFOAMHNPZRDQLH-FQEVSTJZSA-N 2 1 356.514 1.900 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000854094061 968587689 /nfs/dbraw/zinc/58/76/89/968587689.db2.gz CFOAMHNPZRDQLH-FQEVSTJZSA-N 2 1 356.514 1.900 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000854094061 968587693 /nfs/dbraw/zinc/58/76/93/968587693.db2.gz CFOAMHNPZRDQLH-FQEVSTJZSA-N 2 1 356.514 1.900 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001194603437 970271179 /nfs/dbraw/zinc/27/11/79/970271179.db2.gz DAHYOZWZBOHJDR-BMGDILEWSA-N 2 1 355.442 1.397 20 30 FDEDMP C[C@@H]1CC[N@@H+](CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849086893 977307847 /nfs/dbraw/zinc/30/78/47/977307847.db2.gz DUNMRZYQLRVYIU-CABCVRRESA-N 2 1 351.495 1.209 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)CC1 ZINC000332497685 983064171 /nfs/dbraw/zinc/06/41/71/983064171.db2.gz ZISOMLMZXFTZKF-FUHWJXTLSA-N 2 1 362.518 1.228 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)CC1 ZINC000332497685 983064179 /nfs/dbraw/zinc/06/41/79/983064179.db2.gz ZISOMLMZXFTZKF-FUHWJXTLSA-N 2 1 362.518 1.228 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000862754887 984522122 /nfs/dbraw/zinc/52/21/22/984522122.db2.gz HIYWXYXBGGOBHN-IBGZPJMESA-N 2 1 355.482 1.731 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000862754887 984522133 /nfs/dbraw/zinc/52/21/33/984522133.db2.gz HIYWXYXBGGOBHN-IBGZPJMESA-N 2 1 355.482 1.731 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000370913306 990117410 /nfs/dbraw/zinc/11/74/10/990117410.db2.gz WDSXIKCXXIAEQT-MJGOQNOKSA-N 2 1 357.502 1.264 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000876741708 992859437 /nfs/dbraw/zinc/85/94/37/992859437.db2.gz XTIAMJUNZWTDKW-INIZCTEOSA-N 2 1 364.877 1.873 20 30 FDEDMP C[N@H+](CC(=O)N(CCC#N)CCC#N)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374773894 992937793 /nfs/dbraw/zinc/93/77/93/992937793.db2.gz BHNDRMBTNAATBQ-UHFFFAOYSA-N 2 1 368.485 1.886 20 30 FDEDMP C[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1 ZINC000887130955 996958141 /nfs/dbraw/zinc/95/81/41/996958141.db2.gz OIBFRRWLJFHLFT-LPHOPBHVSA-N 2 1 352.438 1.904 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000928648733 1001607378 /nfs/dbraw/zinc/60/73/78/1001607378.db2.gz QVFIAYXCGZKBDI-WOJBJXKFSA-N 2 1 371.529 1.448 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959637 1001737678 /nfs/dbraw/zinc/73/76/78/1001737678.db2.gz UULCGJGCWJQCIY-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959637 1001737681 /nfs/dbraw/zinc/73/76/81/1001737681.db2.gz UULCGJGCWJQCIY-KURKYZTESA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCNc2ccc(C)c[nH+]2)CC1 ZINC000930009953 1002733344 /nfs/dbraw/zinc/73/33/44/1002733344.db2.gz KJLBRVSCXJGOQP-UHFFFAOYSA-N 2 1 359.474 1.075 20 30 FDEDMP C#CC1(O)CC[NH+](CC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000931141914 1003920910 /nfs/dbraw/zinc/92/09/10/1003920910.db2.gz FMCJZFYCSPCIKB-UHFFFAOYSA-N 2 1 370.497 1.227 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1cccc2ccccc21 ZINC000303888314 1009675691 /nfs/dbraw/zinc/67/56/91/1009675691.db2.gz OWFRWFLAHOSGPD-UHFFFAOYSA-N 2 1 356.470 1.845 20 30 FDEDMP C[C@@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc([S@](C)=O)cc1 ZINC000270024608 674155588 /nfs/dbraw/zinc/15/55/88/674155588.db2.gz BVHQDIJLXKAHAR-SHACYNPGSA-N 2 1 352.504 1.112 20 30 FDEDMP COC(=O)c1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1C#N ZINC000555683722 544004854 /nfs/dbraw/zinc/00/48/54/544004854.db2.gz GZNHMIYNWLFPQX-UHFFFAOYSA-N 2 1 372.469 1.235 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074129967 522689172 /nfs/dbraw/zinc/68/91/72/522689172.db2.gz NNZJIOXPOUWDDS-KRWDZBQOSA-N 2 1 351.539 1.210 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(CC#N)CC1 ZINC000074134994 522689586 /nfs/dbraw/zinc/68/95/86/522689586.db2.gz DAZUQPVJNYSZES-GOSISDBHSA-N 2 1 364.538 1.032 20 30 FDEDMP C[C@H]1C[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000136876127 524218909 /nfs/dbraw/zinc/21/89/09/524218909.db2.gz WZEHYKVHFUJECC-AZUAARDMSA-N 2 1 373.545 1.524 20 30 FDEDMP C[C@H]1C[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000136876127 524218917 /nfs/dbraw/zinc/21/89/17/524218917.db2.gz WZEHYKVHFUJECC-AZUAARDMSA-N 3 1 373.545 1.524 20 30 FDEDMP C[C@H]1C[C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000136876127 524218926 /nfs/dbraw/zinc/21/89/26/524218926.db2.gz WZEHYKVHFUJECC-AZUAARDMSA-N 3 1 373.545 1.524 20 30 FDEDMP COc1cc2c(cc1CNC(=[NH2+])NCCC[NH+]1CCOCC1)O[C@H](C)C2 ZINC000157415987 524268947 /nfs/dbraw/zinc/26/89/47/524268947.db2.gz NTYZDAVSDVVHMP-CQSZACIVSA-N 2 1 362.474 1.145 20 30 FDEDMP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(CCC[NH+]2CC=CC2)CC1=O ZINC000154004153 525389607 /nfs/dbraw/zinc/38/96/07/525389607.db2.gz PELFLSNTOLNMQH-UHFFFAOYSA-N 2 1 351.454 1.908 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1 ZINC000104165630 525397541 /nfs/dbraw/zinc/39/75/41/525397541.db2.gz KTEGXERPUJDBPA-SFHVURJKSA-N 2 1 357.502 1.698 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000118834422 525553178 /nfs/dbraw/zinc/55/31/78/525553178.db2.gz IVGDWWDCANGDSZ-LJQANCHMSA-N 2 1 355.486 1.599 20 30 FDEDMP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1)S(=O)(=O)CCCC#N ZINC000167079053 525595289 /nfs/dbraw/zinc/59/52/89/525595289.db2.gz BORNBDHACQRQRF-MSOLQXFVSA-N 2 1 370.563 1.889 20 30 FDEDMP CN(C1CC[NH+](C)CC1)[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)CCCC#N ZINC000167079053 525595296 /nfs/dbraw/zinc/59/52/96/525595296.db2.gz BORNBDHACQRQRF-MSOLQXFVSA-N 2 1 370.563 1.889 20 30 FDEDMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000106164923 525646736 /nfs/dbraw/zinc/64/67/36/525646736.db2.gz RSHJHTGNPQIHFJ-GOSISDBHSA-N 2 1 354.454 1.986 20 30 FDEDMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)N1CC[NH+](C)CC1 ZINC000185581190 536212638 /nfs/dbraw/zinc/21/26/38/536212638.db2.gz ODDZCIDSTKZGAA-QGZVFWFLSA-N 2 1 357.502 1.084 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccn(-c2ccc(OC)cc2)n1 ZINC000264106106 537137966 /nfs/dbraw/zinc/13/79/66/537137966.db2.gz PKRCBNKNNAJFIZ-QGZVFWFLSA-N 2 1 356.474 1.770 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000283385241 537374423 /nfs/dbraw/zinc/37/44/23/537374423.db2.gz JGMYJLSLRACDKK-LJQANCHMSA-N 2 1 370.497 1.144 20 30 FDEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@](C)(C#N)C(C)C)CC1 ZINC000466747425 538568856 /nfs/dbraw/zinc/56/88/56/538568856.db2.gz IYAXPTJXFRLTLY-LJQANCHMSA-N 2 1 352.523 1.864 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000579389060 550868443 /nfs/dbraw/zinc/86/84/43/550868443.db2.gz XMKXCZFETACVFM-SJLPKXTDSA-N 2 1 364.534 1.332 20 30 FDEDMP COC(=O)C[C@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@@H]1CC(=O)OC ZINC000585753452 551593168 /nfs/dbraw/zinc/59/31/68/551593168.db2.gz FMXCXCYDLQPAJX-QZTJIDSGSA-N 2 1 364.486 1.825 20 30 FDEDMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438805 552310602 /nfs/dbraw/zinc/31/06/02/552310602.db2.gz LVCBWOAERKLEAN-IEBWSBKVSA-N 2 1 357.502 1.725 20 30 FDEDMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594440687 552310888 /nfs/dbraw/zinc/31/08/88/552310888.db2.gz HTUIOGTVKBXEOH-SFHVURJKSA-N 2 1 371.485 1.353 20 30 FDEDMP N#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000596091099 552654126 /nfs/dbraw/zinc/65/41/26/552654126.db2.gz HVZQMYXOMJGMSW-CVEARBPZSA-N 2 1 352.486 2.250 20 30 FDEDMP N#Cc1ccc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596091099 552654128 /nfs/dbraw/zinc/65/41/28/552654128.db2.gz HVZQMYXOMJGMSW-CVEARBPZSA-N 2 1 352.486 2.250 20 30 FDEDMP N#Cc1ccc(N[C@@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596091099 552654130 /nfs/dbraw/zinc/65/41/30/552654130.db2.gz HVZQMYXOMJGMSW-CVEARBPZSA-N 2 1 352.486 2.250 20 30 FDEDMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000599936230 553177227 /nfs/dbraw/zinc/17/72/27/553177227.db2.gz MLRJPIMPSWLFEH-RBUKOAKNSA-N 2 1 355.486 1.916 20 30 FDEDMP CC[C@H](C)[N@@H+](C)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120779 671491568 /nfs/dbraw/zinc/49/15/68/671491568.db2.gz BQPFWISESIHUBM-GJZGRUSLSA-N 2 1 353.511 1.597 20 30 FDEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(c2cccs2)CC1 ZINC000261804123 672674617 /nfs/dbraw/zinc/67/46/17/672674617.db2.gz RVQWDRSGLIKBIR-INIZCTEOSA-N 2 1 364.563 1.081 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NC[C@H]1C[N@@H+](C)CCN1C ZINC000261820711 672677914 /nfs/dbraw/zinc/67/79/14/672677914.db2.gz UJRFRWUXRRYKOO-ILXRZTDVSA-N 2 1 363.472 1.766 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000261822244 672678519 /nfs/dbraw/zinc/67/85/19/672678519.db2.gz UPGRKONRQUASJP-UONOGXRCSA-N 2 1 351.445 1.660 20 30 FDEDMP C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261974049 672705256 /nfs/dbraw/zinc/70/52/56/672705256.db2.gz NILVDCLAMAAFEK-GXFFZTMASA-N 2 1 358.412 1.587 20 30 FDEDMP CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262442724 672790590 /nfs/dbraw/zinc/79/05/90/672790590.db2.gz UWNDSBCFRQTCEH-DLBZAZTESA-N 2 1 370.563 1.337 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000264774589 672924988 /nfs/dbraw/zinc/92/49/88/672924988.db2.gz TVEXTNVJEVAYGX-MSOLQXFVSA-N 2 1 351.539 1.230 20 30 FDEDMP COc1ccc(CCNC(=[NH2+])NC[C@]2([NH+](C)C)CCSC2)cc1OC ZINC000267187686 673266142 /nfs/dbraw/zinc/26/61/42/673266142.db2.gz NZUBBTMSDMQYQD-GOSISDBHSA-N 2 1 366.531 1.588 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750311 676544466 /nfs/dbraw/zinc/54/44/66/676544466.db2.gz IGGBUDXKVVKEFI-LSDHHAIUSA-N 2 1 355.527 1.924 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718947 676545268 /nfs/dbraw/zinc/54/52/68/676545268.db2.gz HVSPVMCGJYADQJ-HUUCEWRRSA-N 2 1 353.511 1.678 20 30 FDEDMP C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[NH+](C)CC1 ZINC000328984966 676615003 /nfs/dbraw/zinc/61/50/03/676615003.db2.gz ZJUMZUKYPNCOID-NXHRZFHOSA-N 2 1 352.523 1.347 20 30 FDEDMP C=CC[C@H](CO)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371982459 677820806 /nfs/dbraw/zinc/82/08/06/677820806.db2.gz APDKOFFJIYJHMD-QGZVFWFLSA-N 2 1 352.523 1.419 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000516202159 689929966 /nfs/dbraw/zinc/92/99/66/689929966.db2.gz PNQTWSZHCMSYLW-UHFFFAOYSA-N 2 1 350.507 1.086 20 30 FDEDMP CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921621 721848211 /nfs/dbraw/zinc/84/82/11/721848211.db2.gz OPQYKBXDOFSGQS-OALUTQOASA-N 2 1 354.502 1.204 20 30 FDEDMP CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921621 721848213 /nfs/dbraw/zinc/84/82/13/721848213.db2.gz OPQYKBXDOFSGQS-OALUTQOASA-N 2 1 354.502 1.204 20 30 FDEDMP CC#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001087424243 805610413 /nfs/dbraw/zinc/61/04/13/805610413.db2.gz PLGCKYMHZSOWKD-VAMGGRTRSA-N 2 1 355.482 1.315 20 30 FDEDMP CC#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001087424243 805610416 /nfs/dbraw/zinc/61/04/16/805610416.db2.gz PLGCKYMHZSOWKD-VAMGGRTRSA-N 2 1 355.482 1.315 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+]([C@@H](C)C(=O)NCC=C)C2)CC1 ZINC000364080268 795136053 /nfs/dbraw/zinc/13/60/53/795136053.db2.gz FKLRZAFQHGBFKS-SJORKVTESA-N 2 1 362.518 1.156 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000364479227 796154898 /nfs/dbraw/zinc/15/48/98/796154898.db2.gz BXVKAFOLXOJATO-UHFFFAOYSA-N 2 1 369.513 1.866 20 30 FDEDMP N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000424139965 815316682 /nfs/dbraw/zinc/31/66/82/815316682.db2.gz ATKYGPYXGLKSAB-RDJZCZTQSA-N 2 1 357.458 1.344 20 30 FDEDMP C[NH+]=C(NCc1cn2ccccc2n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261763305 811314779 /nfs/dbraw/zinc/31/47/79/811314779.db2.gz OMROQUJJHJDSQK-INIZCTEOSA-N 2 1 356.474 1.064 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001028629125 811652005 /nfs/dbraw/zinc/65/20/05/811652005.db2.gz GYYRBKZOYSLABX-YZGWKJHDSA-N 2 1 355.482 1.195 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](CC#Cc3ccccc3)C2)O1 ZINC001028629125 811652012 /nfs/dbraw/zinc/65/20/12/811652012.db2.gz GYYRBKZOYSLABX-YZGWKJHDSA-N 2 1 355.482 1.195 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)O1 ZINC001028629125 811652018 /nfs/dbraw/zinc/65/20/18/811652018.db2.gz GYYRBKZOYSLABX-YZGWKJHDSA-N 2 1 355.482 1.195 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)O1 ZINC001028629125 811652022 /nfs/dbraw/zinc/65/20/22/811652022.db2.gz GYYRBKZOYSLABX-YZGWKJHDSA-N 2 1 355.482 1.195 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261947543 817289166 /nfs/dbraw/zinc/28/91/66/817289166.db2.gz GIYRCYIUERCJIE-SJLPKXTDSA-N 3 1 363.550 1.279 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261947543 817289177 /nfs/dbraw/zinc/28/91/77/817289177.db2.gz GIYRCYIUERCJIE-SJLPKXTDSA-N 2 1 363.550 1.279 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C(F)(F)F ZINC001112166203 821695672 /nfs/dbraw/zinc/69/56/72/821695672.db2.gz JHQGRYBFXUSSFQ-FVQBIDKESA-N 2 1 368.403 1.756 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@@H]2C1 ZINC001087908592 823745674 /nfs/dbraw/zinc/74/56/74/823745674.db2.gz HAMWKLJIYIDEED-ILXRZTDVSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@@H]2C1 ZINC001087908592 823745675 /nfs/dbraw/zinc/74/56/75/823745675.db2.gz HAMWKLJIYIDEED-ILXRZTDVSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908592 823745676 /nfs/dbraw/zinc/74/56/76/823745676.db2.gz HAMWKLJIYIDEED-ILXRZTDVSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001087908592 823745677 /nfs/dbraw/zinc/74/56/77/823745677.db2.gz HAMWKLJIYIDEED-ILXRZTDVSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992449 824954187 /nfs/dbraw/zinc/95/41/87/824954187.db2.gz WKJOBDBSZBRTKO-HBFSDRIKSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992449 824954188 /nfs/dbraw/zinc/95/41/88/824954188.db2.gz WKJOBDBSZBRTKO-HBFSDRIKSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992449 824954195 /nfs/dbraw/zinc/95/41/95/824954195.db2.gz WKJOBDBSZBRTKO-HBFSDRIKSA-N 2 1 361.530 1.986 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3conc3CC)CC[C@@H]2C1 ZINC001087997979 825075559 /nfs/dbraw/zinc/07/55/59/825075559.db2.gz KNTOQADUESFAJZ-UWVAXJGDSA-N 2 1 370.497 1.615 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3conc3CC)CC[C@@H]2C1 ZINC001087997979 825075572 /nfs/dbraw/zinc/07/55/72/825075572.db2.gz KNTOQADUESFAJZ-UWVAXJGDSA-N 2 1 370.497 1.615 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3conc3CC)CC[C@@H]2C1 ZINC001087997979 825075577 /nfs/dbraw/zinc/07/55/77/825075577.db2.gz KNTOQADUESFAJZ-UWVAXJGDSA-N 2 1 370.497 1.615 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3conc3CC)CC[C@@H]2C1 ZINC001087997979 825075588 /nfs/dbraw/zinc/07/55/88/825075588.db2.gz KNTOQADUESFAJZ-UWVAXJGDSA-N 2 1 370.497 1.615 20 30 FDEDMP O=C(C[NH+]1CCC(Oc2cnccn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000330168822 825697871 /nfs/dbraw/zinc/69/78/71/825697871.db2.gz BCLIJPAHVQYMOF-UHFFFAOYSA-N 2 1 359.474 1.903 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000303889889 827939703 /nfs/dbraw/zinc/93/97/03/827939703.db2.gz MGOPOKLGSHEINI-XYJFISCASA-N 2 1 374.533 1.584 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C(=O)OC)c(C2CC2)n1 ZINC000305822817 828097132 /nfs/dbraw/zinc/09/71/32/828097132.db2.gz BQZUZJYGHGORSN-HNNXBMFYSA-N 2 1 359.474 1.634 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 ZINC000305850233 830790645 /nfs/dbraw/zinc/79/06/45/830790645.db2.gz JKFSBKQSTFAPTN-SCTDSRPQSA-N 2 1 357.502 1.595 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212262 832073929 /nfs/dbraw/zinc/07/39/29/832073929.db2.gz WVGUUBXJSKOMRZ-ZIAGYGMSSA-N 2 1 351.413 1.508 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@@H+]1CC#Cc1ccccc1 ZINC001088571902 834850975 /nfs/dbraw/zinc/85/09/75/834850975.db2.gz QZZUXZSLEBPNLX-QMMLZNLJSA-N 2 1 351.494 1.959 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC[N@H+]1CC#Cc1ccccc1 ZINC001088571902 834850988 /nfs/dbraw/zinc/85/09/88/834850988.db2.gz QZZUXZSLEBPNLX-QMMLZNLJSA-N 2 1 351.494 1.959 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105642335 842306061 /nfs/dbraw/zinc/30/60/61/842306061.db2.gz IVFUSFYFDMNFIN-NEYJZJCJSA-N 2 1 363.546 1.706 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCCOC4)C[C@H]32)CC1 ZINC001076604591 848553200 /nfs/dbraw/zinc/55/32/00/848553200.db2.gz NCLBVZXLHJDRIK-YSIASYRMSA-N 2 1 359.514 1.291 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cc1C#N ZINC001088835799 848970579 /nfs/dbraw/zinc/97/05/79/848970579.db2.gz OVMIBBAXMMTXOY-BEFAXECRSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)cc1C#N ZINC001088835799 848970586 /nfs/dbraw/zinc/97/05/86/848970586.db2.gz OVMIBBAXMMTXOY-BEFAXECRSA-N 2 1 370.497 1.988 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000669032915 860836083 /nfs/dbraw/zinc/83/60/83/860836083.db2.gz BDCXNBRHKGIGMS-KSZLIROESA-N 2 1 372.517 1.673 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000669032915 860836096 /nfs/dbraw/zinc/83/60/96/860836096.db2.gz BDCXNBRHKGIGMS-KSZLIROESA-N 2 1 372.517 1.673 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000669032915 860836108 /nfs/dbraw/zinc/83/61/08/860836108.db2.gz BDCXNBRHKGIGMS-KSZLIROESA-N 2 1 372.517 1.673 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001033183744 881686934 /nfs/dbraw/zinc/68/69/34/881686934.db2.gz FEOMBQMGNJYVES-MISYRCLQSA-N 2 1 355.482 1.290 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)[C@@H]2CCN(CC#Cc3ccccc3)C2)O1 ZINC001033183744 881686939 /nfs/dbraw/zinc/68/69/39/881686939.db2.gz FEOMBQMGNJYVES-MISYRCLQSA-N 2 1 355.482 1.290 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000499599021 871649770 /nfs/dbraw/zinc/64/97/70/871649770.db2.gz FORFNVGOPJTEMV-LMMKCTJWSA-N 2 1 365.518 1.364 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667355 876483099 /nfs/dbraw/zinc/48/30/99/876483099.db2.gz VWSKBZLYIVTJNI-BPQIPLTHSA-N 2 1 358.486 1.088 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000922297919 877404184 /nfs/dbraw/zinc/40/41/84/877404184.db2.gz CWTGKCVOHCQFRN-GHTZIAJQSA-N 2 1 357.498 1.996 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000922297919 877404194 /nfs/dbraw/zinc/40/41/94/877404194.db2.gz CWTGKCVOHCQFRN-GHTZIAJQSA-N 2 1 357.498 1.996 20 30 FDEDMP C[N@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000900044669 886843839 /nfs/dbraw/zinc/84/38/39/886843839.db2.gz FPGWAUPLGHEACB-ICSRJNTNSA-N 2 1 356.470 1.048 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187055648 887722310 /nfs/dbraw/zinc/72/23/10/887722310.db2.gz MBPSXWRRHBARRJ-FQEVSTJZSA-N 2 1 373.545 1.394 20 30 FDEDMP Cn1ccnc1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923342547 888961022 /nfs/dbraw/zinc/96/10/22/888961022.db2.gz PGLVXANDIIXIRA-RBUKOAKNSA-N 2 1 365.481 1.969 20 30 FDEDMP Cn1ccnc1C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923342547 888961025 /nfs/dbraw/zinc/96/10/25/888961025.db2.gz PGLVXANDIIXIRA-RBUKOAKNSA-N 2 1 365.481 1.969 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000923393581 889106193 /nfs/dbraw/zinc/10/61/93/889106193.db2.gz TWMYSTZBMCSHGC-MLYOOKFZSA-N 2 1 359.470 1.659 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923393580 889106828 /nfs/dbraw/zinc/10/68/28/889106828.db2.gz TWMYSTZBMCSHGC-JRBPQWBISA-N 2 1 359.470 1.659 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccccc3)C[C@@H]2O)CC1 ZINC001084087909 913358586 /nfs/dbraw/zinc/35/85/86/913358586.db2.gz GZWZGUVVSFSYAX-AHRSYUTCSA-N 2 1 355.482 1.254 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1)C(C)C ZINC000654379658 901977876 /nfs/dbraw/zinc/97/78/76/901977876.db2.gz HLPMJYWUNHAEBN-RCCFBDPRSA-N 2 1 350.507 1.145 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCCN2C)C1 ZINC001079138205 902018007 /nfs/dbraw/zinc/01/80/07/902018007.db2.gz TULQWGZNKIBJBP-PWRODBHTSA-N 2 1 369.509 1.568 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079251261 902272239 /nfs/dbraw/zinc/27/22/39/902272239.db2.gz NRMINLPHCXXISD-ZWKOTPCHSA-N 2 1 358.486 1.707 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259504 902294289 /nfs/dbraw/zinc/29/42/89/902294289.db2.gz DAVNMHXYCDZIQA-CEXWTWQISA-N 2 1 359.514 1.291 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260680 902298978 /nfs/dbraw/zinc/29/89/78/902298978.db2.gz KFGIGUZOCSCJOP-CEXWTWQISA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1F ZINC001079322326 902426421 /nfs/dbraw/zinc/42/64/21/902426421.db2.gz PFEGGJDRUGKENZ-UHOSZYNNSA-N 2 1 359.445 1.064 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1F ZINC001079322326 902426427 /nfs/dbraw/zinc/42/64/27/902426427.db2.gz PFEGGJDRUGKENZ-UHOSZYNNSA-N 2 1 359.445 1.064 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436417 904902346 /nfs/dbraw/zinc/90/23/46/904902346.db2.gz YXLVFNMYJSXNJT-NLWGTHIKSA-N 2 1 357.502 1.197 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107436417 904902349 /nfs/dbraw/zinc/90/23/49/904902349.db2.gz YXLVFNMYJSXNJT-NLWGTHIKSA-N 2 1 357.502 1.197 20 30 FDEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436691 904904292 /nfs/dbraw/zinc/90/42/92/904904292.db2.gz KZUFKKJUSYGDSJ-VQIMIIECSA-N 2 1 362.518 1.134 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)O1 ZINC000996712469 904907680 /nfs/dbraw/zinc/90/76/80/904907680.db2.gz PKJGONWNBJVZTJ-CXAGYDPISA-N 2 1 362.499 1.419 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]Cc3ccc(C#N)s3)CC2)O1 ZINC000996712469 904907685 /nfs/dbraw/zinc/90/76/85/904907685.db2.gz PKJGONWNBJVZTJ-CXAGYDPISA-N 2 1 362.499 1.419 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)CC1 ZINC001080997838 906972674 /nfs/dbraw/zinc/97/26/74/906972674.db2.gz LXZUDRXZNRVBME-DYESRHJHSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@H]2C)CC1 ZINC001080998312 906975903 /nfs/dbraw/zinc/97/59/03/906975903.db2.gz YKMAUVJQQNEQPE-AUUYWEPGSA-N 2 1 358.486 1.573 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082520798 908224083 /nfs/dbraw/zinc/22/40/83/908224083.db2.gz UEMJETOIYQSHJL-TWKYDXJASA-N 2 1 358.461 1.974 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001082568542 908710449 /nfs/dbraw/zinc/71/04/49/908710449.db2.gz CAAQCJONVJTMEU-RSPOEFSDSA-N 2 1 355.482 1.254 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC001082568542 908710459 /nfs/dbraw/zinc/71/04/59/908710459.db2.gz CAAQCJONVJTMEU-RSPOEFSDSA-N 2 1 355.482 1.254 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC001082568867 908715069 /nfs/dbraw/zinc/71/50/69/908715069.db2.gz WDNHPLWHTXDGGY-ZMYBRWDISA-N 2 1 367.453 1.257 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC001082568867 908715084 /nfs/dbraw/zinc/71/50/84/908715084.db2.gz WDNHPLWHTXDGGY-ZMYBRWDISA-N 2 1 367.453 1.257 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)cc1C#N ZINC001082646457 909313700 /nfs/dbraw/zinc/31/37/00/909313700.db2.gz XLZKSJDCZJQBFS-RDTXWAMCSA-N 2 1 367.453 1.709 20 30 FDEDMP C=CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001128006367 909892901 /nfs/dbraw/zinc/89/29/01/909892901.db2.gz RUKGSPCQAIEXIC-OWCLPIDISA-N 2 1 360.506 1.105 20 30 FDEDMP C=CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CC2 ZINC001128006367 909892906 /nfs/dbraw/zinc/89/29/06/909892906.db2.gz RUKGSPCQAIEXIC-OWCLPIDISA-N 2 1 360.506 1.105 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830513 917510008 /nfs/dbraw/zinc/51/00/08/917510008.db2.gz XSPIAPGKQIZOHU-ZIFCJYIRSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001084830513 917510018 /nfs/dbraw/zinc/51/00/18/917510018.db2.gz XSPIAPGKQIZOHU-ZIFCJYIRSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001084830513 917510028 /nfs/dbraw/zinc/51/00/28/917510028.db2.gz XSPIAPGKQIZOHU-ZIFCJYIRSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001084830513 917510041 /nfs/dbraw/zinc/51/00/41/917510041.db2.gz XSPIAPGKQIZOHU-ZIFCJYIRSA-N 2 1 368.481 1.551 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC4CC(F)(F)C4)C[C@H]32)CC1 ZINC001084850888 917656409 /nfs/dbraw/zinc/65/64/09/917656409.db2.gz BDAKCROIGSEWOD-QZTJIDSGSA-N 2 1 365.468 1.910 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccnn4C)[C@H]3C2)CC1 ZINC001085100613 920913746 /nfs/dbraw/zinc/91/37/46/920913746.db2.gz QIKXCYCTZUXTPR-XLIONFOSSA-N 2 1 369.513 1.188 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cccnc4)[C@H]3C2)CC1 ZINC001085100595 920914717 /nfs/dbraw/zinc/91/47/17/920914717.db2.gz PBZLIJOHXPUMLN-CTNGQTDRSA-N 2 1 366.509 1.850 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001086120979 926050855 /nfs/dbraw/zinc/05/08/55/926050855.db2.gz WSGZNKFAJUTSOW-DQEVTTJGSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001086120979 926050862 /nfs/dbraw/zinc/05/08/62/926050862.db2.gz WSGZNKFAJUTSOW-DQEVTTJGSA-N 2 1 356.470 1.262 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000743319292 926320451 /nfs/dbraw/zinc/32/04/51/926320451.db2.gz IFHCRADSCJGNCI-UHFFFAOYSA-N 2 1 354.498 1.610 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001129770359 938512121 /nfs/dbraw/zinc/51/21/21/938512121.db2.gz DTNGKQGRBGPULB-BZSNNMDCSA-N 2 1 361.436 1.839 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1[C@H](c2ccccc2)C1(F)F ZINC001129770359 938512123 /nfs/dbraw/zinc/51/21/23/938512123.db2.gz DTNGKQGRBGPULB-BZSNNMDCSA-N 2 1 361.436 1.839 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H](C)Cc2cnc[nH]2)C[C@@H]1n1ccnn1 ZINC001130033714 938634306 /nfs/dbraw/zinc/63/43/06/938634306.db2.gz BNXWYQZOTLCFRE-OIISXLGYSA-N 2 1 357.462 1.188 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130083608 938664973 /nfs/dbraw/zinc/66/49/73/938664973.db2.gz CQVIAJVCNMAYDG-QYZOEREBSA-N 2 1 368.485 1.499 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140099 938712095 /nfs/dbraw/zinc/71/20/95/938712095.db2.gz SGIDJXXURDXEHP-CEXWTWQISA-N 2 1 368.485 1.499 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130597058 939904030 /nfs/dbraw/zinc/90/40/30/939904030.db2.gz ZASVTDUZFGBUQN-RNIPGJKVSA-N 2 1 357.502 1.058 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130607686 939919287 /nfs/dbraw/zinc/91/92/87/939919287.db2.gz JDLGCFRDLMKPIR-CMKODMSKSA-N 2 1 371.529 1.590 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1cncn1C ZINC001131023292 940456724 /nfs/dbraw/zinc/45/67/24/940456724.db2.gz WNZVIOOSROAMCB-QRVBRYPASA-N 2 1 371.529 1.448 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108061 940502409 /nfs/dbraw/zinc/50/24/09/940502409.db2.gz IBBFUWNNCVUWJL-KZNAEPCWSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001131599506 940782773 /nfs/dbraw/zinc/78/27/73/940782773.db2.gz CCRXYNXTCPSYNH-DYXWJJEUSA-N 2 1 359.514 1.481 20 30 FDEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001133398308 941245626 /nfs/dbraw/zinc/24/56/26/941245626.db2.gz PBURESDXMGMSAP-CRAIPNDOSA-N 2 1 363.889 1.611 20 30 FDEDMP C#CC[NH2+]CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001133398308 941245631 /nfs/dbraw/zinc/24/56/31/941245631.db2.gz PBURESDXMGMSAP-CRAIPNDOSA-N 2 1 363.889 1.611 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001086720541 941624421 /nfs/dbraw/zinc/62/44/21/941624421.db2.gz BAJVQYZWJFJCTP-QKLQHJQFSA-N 2 1 370.497 1.562 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001086720541 941624426 /nfs/dbraw/zinc/62/44/26/941624426.db2.gz BAJVQYZWJFJCTP-QKLQHJQFSA-N 2 1 370.497 1.562 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306743 971594940 /nfs/dbraw/zinc/59/49/40/971594940.db2.gz HYJQZWKYOSMACA-GUDVDZBRSA-N 2 1 367.534 1.395 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000961987687 1013100057 /nfs/dbraw/zinc/10/00/57/1013100057.db2.gz CBZDWFAIFPTUTF-YOODTLSXSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000961987687 1013100066 /nfs/dbraw/zinc/10/00/66/1013100066.db2.gz CBZDWFAIFPTUTF-YOODTLSXSA-N 2 1 356.470 1.262 20 30 FDEDMP C=CC[NH+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2)C1 ZINC001091401250 951576363 /nfs/dbraw/zinc/57/63/63/951576363.db2.gz WXAWCWAJWPJJHH-AYOQOUSVSA-N 2 1 358.486 1.677 20 30 FDEDMP C=CC[N@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401250 951576365 /nfs/dbraw/zinc/57/63/65/951576365.db2.gz WXAWCWAJWPJJHH-AYOQOUSVSA-N 2 1 358.486 1.677 20 30 FDEDMP C=CC[N@@H+]1CC[C@H](Oc2ccnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2)C1 ZINC001091401250 951576372 /nfs/dbraw/zinc/57/63/72/951576372.db2.gz WXAWCWAJWPJJHH-AYOQOUSVSA-N 2 1 358.486 1.677 20 30 FDEDMP C#CCN(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(=O)OC(C)(C)C ZINC001146981428 952265667 /nfs/dbraw/zinc/26/56/67/952265667.db2.gz AALAEYWREQJCOZ-INIZCTEOSA-N 2 1 368.522 1.245 20 30 FDEDMP C#CCN(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(=O)OC(C)(C)C ZINC001146981428 952265672 /nfs/dbraw/zinc/26/56/72/952265672.db2.gz AALAEYWREQJCOZ-INIZCTEOSA-N 2 1 368.522 1.245 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001091748286 952794220 /nfs/dbraw/zinc/79/42/20/952794220.db2.gz JDRIVZAUNIBQEN-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001091748286 952794224 /nfs/dbraw/zinc/79/42/24/952794224.db2.gz JDRIVZAUNIBQEN-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001091748286 952794227 /nfs/dbraw/zinc/79/42/27/952794227.db2.gz JDRIVZAUNIBQEN-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cncc(C)c3)C[C@@]2(C)C1 ZINC001091748286 952794230 /nfs/dbraw/zinc/79/42/30/952794230.db2.gz JDRIVZAUNIBQEN-URVUXULASA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001086982228 952994984 /nfs/dbraw/zinc/99/49/84/952994984.db2.gz AAMRLQIJQXHRBS-XUVXKRRUSA-N 2 1 369.513 1.344 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)C1 ZINC001092272288 954653704 /nfs/dbraw/zinc/65/37/04/954653704.db2.gz CQGCVIWUDRNNFL-UEXGIBASSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)C1 ZINC001092272288 954653708 /nfs/dbraw/zinc/65/37/08/954653708.db2.gz CQGCVIWUDRNNFL-UEXGIBASSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@@]3(C)C2)C1 ZINC001092272288 954653714 /nfs/dbraw/zinc/65/37/14/954653714.db2.gz CQGCVIWUDRNNFL-UEXGIBASSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2scnc2C)C[C@H]1C ZINC001092690014 956199397 /nfs/dbraw/zinc/19/93/97/956199397.db2.gz WPPNPVDGEJGFBG-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2scnc2C)C[C@H]1C ZINC001092690014 956199403 /nfs/dbraw/zinc/19/94/03/956199403.db2.gz WPPNPVDGEJGFBG-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1C ZINC001092690014 956199409 /nfs/dbraw/zinc/19/94/09/956199409.db2.gz WPPNPVDGEJGFBG-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2scnc2C)C[C@H]1C ZINC001092690014 956199418 /nfs/dbraw/zinc/19/94/18/956199418.db2.gz WPPNPVDGEJGFBG-OIISXLGYSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CCN1C[C@H]2CC[C@@H](C1)[NH+]2C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001093487616 958309538 /nfs/dbraw/zinc/30/95/38/958309538.db2.gz KIFITSWHMIDKPP-RSPOEFSDSA-N 2 1 358.530 1.099 20 30 FDEDMP C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093487616 958309545 /nfs/dbraw/zinc/30/95/45/958309545.db2.gz KIFITSWHMIDKPP-RSPOEFSDSA-N 2 1 358.530 1.099 20 30 FDEDMP C#CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001093487616 958309565 /nfs/dbraw/zinc/30/95/65/958309565.db2.gz KIFITSWHMIDKPP-RSPOEFSDSA-N 2 1 358.530 1.099 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccnc2C)[C@H](C)C1 ZINC001093832854 958926171 /nfs/dbraw/zinc/92/61/71/958926171.db2.gz CWZLLSZGAWCBHR-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccnc2C)[C@H](C)C1 ZINC001093832854 958926175 /nfs/dbraw/zinc/92/61/75/958926175.db2.gz CWZLLSZGAWCBHR-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C=C(C[NH+]1CCCC1)C(=O)N[C@]1(C(=O)OC)CC[N@@H+](Cc2ccccc2)C1 ZINC001183085910 962783325 /nfs/dbraw/zinc/78/33/25/962783325.db2.gz MTFOEKMWDQFLHM-OAQYLSRUSA-N 2 1 371.481 1.572 20 30 FDEDMP C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3C#N)C[C@H]2C1 ZINC001183831175 963301560 /nfs/dbraw/zinc/30/15/60/963301560.db2.gz LVSONWSCQFWGPF-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C=CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185943340 964206993 /nfs/dbraw/zinc/20/69/93/964206993.db2.gz RUUNKIKTLUTGAL-BPQIPLTHSA-N 2 1 360.506 1.448 20 30 FDEDMP C#CCOCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC001191307339 968419524 /nfs/dbraw/zinc/41/95/24/968419524.db2.gz VPICLTXPDCQOKK-UHFFFAOYSA-N 2 1 357.498 1.596 20 30 FDEDMP CC[N@H+]1CC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000883893317 982595976 /nfs/dbraw/zinc/59/59/76/982595976.db2.gz ITLXDZCMFUZEFP-LJQANCHMSA-N 2 1 355.486 1.870 20 30 FDEDMP CC[NH+]1CC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000883893317 982595984 /nfs/dbraw/zinc/59/59/84/982595984.db2.gz ITLXDZCMFUZEFP-LJQANCHMSA-N 2 1 355.486 1.870 20 30 FDEDMP CC[NH+]1CC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000883893317 982595987 /nfs/dbraw/zinc/59/59/87/982595987.db2.gz ITLXDZCMFUZEFP-LJQANCHMSA-N 2 1 355.486 1.870 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1cccc(C[NH+]3CCOCC3)c1)C2 ZINC000884186593 982962923 /nfs/dbraw/zinc/96/29/23/982962923.db2.gz DTTSWIFDDXTMGR-OBXNSHGQSA-N 2 1 368.481 1.274 20 30 FDEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884306598 983071327 /nfs/dbraw/zinc/07/13/27/983071327.db2.gz ISNWAJQVNMHKDY-LSNYBQGISA-N 2 1 352.482 1.859 20 30 FDEDMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)C2)cc1 ZINC000884465909 983171118 /nfs/dbraw/zinc/17/11/18/983171118.db2.gz MSCDJKMVNZQOQQ-JMDAGXMHSA-N 2 1 352.482 1.825 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884466938 983171910 /nfs/dbraw/zinc/17/19/10/983171910.db2.gz KMOMQDBPNRCGNR-FQEVSTJZSA-N 2 1 369.513 1.690 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000884466938 983171915 /nfs/dbraw/zinc/17/19/15/983171915.db2.gz KMOMQDBPNRCGNR-FQEVSTJZSA-N 2 1 369.513 1.690 20 30 FDEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000886583199 986387822 /nfs/dbraw/zinc/38/78/22/986387822.db2.gz GHFAILQVUUQQSJ-IBGZPJMESA-N 2 1 354.498 1.850 20 30 FDEDMP C#CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CC[NH+](C)CC1 ZINC000886583200 986388242 /nfs/dbraw/zinc/38/82/42/986388242.db2.gz GHFAILQVUUQQSJ-LJQANCHMSA-N 2 1 354.498 1.850 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000360890814 988194719 /nfs/dbraw/zinc/19/47/19/988194719.db2.gz UBOXUCWZFGOVNS-OALUTQOASA-N 2 1 364.534 1.658 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000369756834 989148523 /nfs/dbraw/zinc/14/85/23/989148523.db2.gz IEFUIWCHCBOWSO-NRFANRHFSA-N 2 1 369.509 1.788 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000876755880 992879239 /nfs/dbraw/zinc/87/92/39/992879239.db2.gz MZQQTURKLYTKIZ-SFHVURJKSA-N 2 1 364.921 1.733 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(c2ccccc2)CCOCC1 ZINC000104173704 998314284 /nfs/dbraw/zinc/31/42/84/998314284.db2.gz SNZAIGQUYAMDJB-UHFFFAOYSA-N 2 1 360.502 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000890369517 998917265 /nfs/dbraw/zinc/91/72/65/998917265.db2.gz XNTZPKGKCZTWHZ-KRWDZBQOSA-N 2 1 350.507 1.226 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000890369517 998917267 /nfs/dbraw/zinc/91/72/67/998917267.db2.gz XNTZPKGKCZTWHZ-KRWDZBQOSA-N 2 1 350.507 1.226 20 30 FDEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)CC1 ZINC000266976870 999281196 /nfs/dbraw/zinc/28/11/96/999281196.db2.gz JWCPCHGWAVQOPY-UHFFFAOYSA-N 2 1 371.407 1.274 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc2c(cc1OC(F)F)OCO2 ZINC000305045622 1008607848 /nfs/dbraw/zinc/60/78/48/1008607848.db2.gz XTLYJYIKAHQGTQ-LBPRGKRZSA-N 2 1 370.400 1.905 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)O1 ZINC000960042619 1009373377 /nfs/dbraw/zinc/37/33/77/1009373377.db2.gz IDTUDJDNGLWQDQ-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(C#N)c2)O1 ZINC000960042619 1009373385 /nfs/dbraw/zinc/37/33/85/1009373385.db2.gz IDTUDJDNGLWQDQ-LSTHTHJFSA-N 2 1 370.497 1.748 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1cnn(-c2ccccc2)c1 ZINC000303787581 1009582988 /nfs/dbraw/zinc/58/29/88/1009582988.db2.gz SNVXFXQYDCUZKL-UHFFFAOYSA-N 2 1 356.474 1.041 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(Cn2ccccc2=O)cc1 ZINC000303865996 1009643319 /nfs/dbraw/zinc/64/33/19/1009643319.db2.gz CBEDNAIFWAPNIU-IBGZPJMESA-N 2 1 367.497 1.785 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(OC(F)(F)F)cc1 ZINC000303874817 1009645638 /nfs/dbraw/zinc/64/56/38/1009645638.db2.gz DCTNIGRKCANPTK-UHFFFAOYSA-N 2 1 374.407 1.754 20 30 FDEDMP Cn1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc1C#N ZINC000190985897 178034755 /nfs/dbraw/zinc/03/47/55/178034755.db2.gz HFBWQCGPXKRLEY-LJQANCHMSA-N 2 1 365.481 1.884 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000553710937 543685701 /nfs/dbraw/zinc/68/57/01/543685701.db2.gz FSBRHPKEJBKDKE-GOSISDBHSA-N 2 1 362.518 1.276 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000557730805 544337518 /nfs/dbraw/zinc/33/75/18/544337518.db2.gz DVWJOVVHODJPOV-OALUTQOASA-N 2 1 370.497 1.315 20 30 FDEDMP C[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378290700 262002541 /nfs/dbraw/zinc/00/25/41/262002541.db2.gz HEFZCTGPTBQKKK-FQEVSTJZSA-N 2 1 369.513 1.987 20 30 FDEDMP C[C@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000184878400 536189351 /nfs/dbraw/zinc/18/93/51/536189351.db2.gz RTNJYQPZVLIGLP-KRWDZBQOSA-N 2 1 354.882 1.174 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000185954395 536222500 /nfs/dbraw/zinc/22/25/00/536222500.db2.gz BLRVQJOBQCDGOR-OAHLLOKOSA-N 2 1 358.408 1.959 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000188168245 536284758 /nfs/dbraw/zinc/28/47/58/536284758.db2.gz ARHLYZIJHSSPBE-JOCHJYFZSA-N 2 1 369.509 1.427 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCOc2ccccc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262775433 537254520 /nfs/dbraw/zinc/25/45/20/537254520.db2.gz JDECMTLEDHTLBJ-MSOLQXFVSA-N 2 1 372.513 1.782 20 30 FDEDMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N[C@@H](C)COC)CC2)cs1 ZINC000304739213 537599364 /nfs/dbraw/zinc/59/93/64/537599364.db2.gz BDERUMGANSTAAW-ZDUSSCGKSA-N 2 1 353.536 1.857 20 30 FDEDMP C=CCN(C(=O)[C@H](C)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371833694 537833612 /nfs/dbraw/zinc/83/36/12/537833612.db2.gz CNDHSUMNDQCIFH-FPOVZHCZSA-N 2 1 370.541 1.911 20 30 FDEDMP C=CCN(C(=O)[C@H](C)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371833694 537833620 /nfs/dbraw/zinc/83/36/20/537833620.db2.gz CNDHSUMNDQCIFH-FPOVZHCZSA-N 2 1 370.541 1.911 20 30 FDEDMP N#Cc1cccc(OCCN2CCN(CC[N@H+]3CCCOCC3)CC2)c1 ZINC000372280594 537910424 /nfs/dbraw/zinc/91/04/24/537910424.db2.gz FEMNVEUOBYDKIX-UHFFFAOYSA-N 2 1 358.486 1.277 20 30 FDEDMP OCC[NH+](CC#CC[N@H+](CCO)[C@@H]1CCCSC1)[C@@H]1CCCSC1 ZINC000433188833 538208979 /nfs/dbraw/zinc/20/89/79/538208979.db2.gz DEXHMLWIIYZKRI-QZTJIDSGSA-N 2 1 372.600 1.370 20 30 FDEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000466735332 538566810 /nfs/dbraw/zinc/56/68/10/538566810.db2.gz OJVRMGBBIYYKPH-UHFFFAOYSA-N 2 1 372.513 1.997 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574324585 550296313 /nfs/dbraw/zinc/29/63/13/550296313.db2.gz RYUJXSLKWVMXNQ-YJBOKZPZSA-N 2 1 356.474 1.828 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574324585 550296315 /nfs/dbraw/zinc/29/63/15/550296315.db2.gz RYUJXSLKWVMXNQ-YJBOKZPZSA-N 2 1 356.474 1.828 20 30 FDEDMP N#CC[C@]1(O)CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150229 551950010 /nfs/dbraw/zinc/95/00/10/551950010.db2.gz BHECAFRRIPLGBL-BGYRXZFFSA-N 2 1 354.454 1.388 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150229 551950012 /nfs/dbraw/zinc/95/00/12/551950012.db2.gz BHECAFRRIPLGBL-BGYRXZFFSA-N 2 1 354.454 1.388 20 30 FDEDMP N#CC[C@]1(O)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592150229 551950013 /nfs/dbraw/zinc/95/00/13/551950013.db2.gz BHECAFRRIPLGBL-BGYRXZFFSA-N 2 1 354.454 1.388 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3cccc(C#N)c3)CCOCC2)CC1 ZINC000595769902 552613219 /nfs/dbraw/zinc/61/32/19/552613219.db2.gz VRWHATHEAZTAPQ-UHFFFAOYSA-N 2 1 356.470 1.318 20 30 FDEDMP Cc1[nH+]ccn1CCC[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625268176 556759331 /nfs/dbraw/zinc/75/93/31/556759331.db2.gz XJYGBUWLRPZQSN-UHFFFAOYSA-N 2 1 350.422 1.813 20 30 FDEDMP Cc1[nH+]ccn1CCC[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O ZINC000625268176 556759333 /nfs/dbraw/zinc/75/93/33/556759333.db2.gz XJYGBUWLRPZQSN-UHFFFAOYSA-N 2 1 350.422 1.813 20 30 FDEDMP C=CCCC(C)(C)CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000636707548 567882902 /nfs/dbraw/zinc/88/29/02/567882902.db2.gz OYZMBXSKDOPYCU-INIZCTEOSA-N 2 1 364.534 1.380 20 30 FDEDMP CC(C)(C)OCc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)no1 ZINC000185952777 672265821 /nfs/dbraw/zinc/26/58/21/672265821.db2.gz XHROBMYHYYKHCR-UHFFFAOYSA-N 2 1 353.467 1.116 20 30 FDEDMP CC[NH+]=C(NCC1CCSCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261784539 672671882 /nfs/dbraw/zinc/67/18/82/672671882.db2.gz QIBNCNIAEASVIR-KRWDZBQOSA-N 2 1 354.564 1.749 20 30 FDEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)NC[C@H]1CCCS1 ZINC000261959669 672702512 /nfs/dbraw/zinc/70/25/12/672702512.db2.gz JTCKGYJWQLOPJG-MRXNPFEDSA-N 2 1 362.547 1.394 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccccc1Cl ZINC000264131912 672902182 /nfs/dbraw/zinc/90/21/82/672902182.db2.gz UDRBMPYITBNBCU-ZDUSSCGKSA-N 2 1 351.882 1.458 20 30 FDEDMP COc1ccc(CCNC(=[NH2+])NC[C@@]2([NH+](C)C)CCSC2)cc1OC ZINC000267187687 673266227 /nfs/dbraw/zinc/26/62/27/673266227.db2.gz NZUBBTMSDMQYQD-SFHVURJKSA-N 2 1 366.531 1.588 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)c1cc(OC)cc(OC)c1 ZINC000267462450 673306753 /nfs/dbraw/zinc/30/67/53/673306753.db2.gz VNPZXCKLVZVKSH-PBHICJAKSA-N 2 1 350.463 1.126 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCSCc1ccccc1F ZINC000303779822 676542822 /nfs/dbraw/zinc/54/28/22/676542822.db2.gz KVPKAWDVKHYOQQ-UHFFFAOYSA-N 2 1 354.495 1.686 20 30 FDEDMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303867153 676543222 /nfs/dbraw/zinc/54/32/22/676543222.db2.gz CRIAPDGIKZRHTI-UHFFFAOYSA-N 2 1 371.551 1.293 20 30 FDEDMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000303872570 676543242 /nfs/dbraw/zinc/54/32/42/676543242.db2.gz CBTJHHDDIVFNBJ-CQSZACIVSA-N 2 1 351.495 1.338 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1COC2(CCCCCC2)O1 ZINC000305842456 676545469 /nfs/dbraw/zinc/54/54/69/676545469.db2.gz RQEZVKDXBCRSOG-MRXNPFEDSA-N 2 1 354.495 1.079 20 30 FDEDMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1C ZINC000329032483 676616728 /nfs/dbraw/zinc/61/67/28/676616728.db2.gz LRYJPYFIGHCSEZ-ONIAQPFYSA-N 2 1 352.523 1.693 20 30 FDEDMP C[N@H+]1CC[C@@H]2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@H]2C1 ZINC000329459515 676639588 /nfs/dbraw/zinc/63/95/88/676639588.db2.gz RQWKZGJCYRMEMB-BGTYHANMSA-N 2 1 350.507 1.304 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[N@H+]1C1CC1 ZINC000330189214 676677435 /nfs/dbraw/zinc/67/74/35/676677435.db2.gz VBOBTPAHXMMFRW-AETAKHFUSA-N 2 1 350.507 1.493 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378424627 678746843 /nfs/dbraw/zinc/74/68/43/678746843.db2.gz FGAVGXCBRLYRJL-RTBURBONSA-N 2 1 350.551 1.759 20 30 FDEDMP C[NH+]=C(NCC1CCOCC1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000175897509 773787667 /nfs/dbraw/zinc/78/76/67/773787667.db2.gz QVVULSJIQXIGLY-UHFFFAOYSA-N 2 1 365.566 1.528 20 30 FDEDMP C=CCCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001104290837 773822644 /nfs/dbraw/zinc/82/26/44/773822644.db2.gz GBFPUPZSHXQBFD-GUDVDZBRSA-N 2 1 361.534 1.854 20 30 FDEDMP CCN(CC)C(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000104166466 781542763 /nfs/dbraw/zinc/54/27/63/781542763.db2.gz JIILRXRLGGBUFU-UHFFFAOYSA-N 2 1 361.490 1.504 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104588235 788739470 /nfs/dbraw/zinc/73/94/70/788739470.db2.gz HNVJQZYVKGBHQK-VSZNYVQBSA-N 2 1 364.534 1.093 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105067228 795129980 /nfs/dbraw/zinc/12/99/80/795129980.db2.gz SIJZYDHBHSRCPN-BRWVUGGUSA-N 2 1 352.523 1.092 20 30 FDEDMP C=CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC000981775246 808471036 /nfs/dbraw/zinc/47/10/36/808471036.db2.gz YGFRTLAIHVWVIQ-MOPGFXCFSA-N 2 1 361.530 1.844 20 30 FDEDMP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000261933651 811346989 /nfs/dbraw/zinc/34/69/89/811346989.db2.gz BWQRJCPALRZAFT-WMZOPIPTSA-N 2 1 371.533 1.704 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261836504 813999639 /nfs/dbraw/zinc/99/96/39/813999639.db2.gz VWMJMOMMHGNVIY-XDNAFOTISA-N 2 1 362.518 1.174 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCC[NH+]1C ZINC000329312897 824730644 /nfs/dbraw/zinc/73/06/44/824730644.db2.gz GPRSGQAJFCXVHK-JENIJYKNSA-N 2 1 374.533 1.887 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)CCC[N@@H+]1C ZINC000329312897 824730649 /nfs/dbraw/zinc/73/06/49/824730649.db2.gz GPRSGQAJFCXVHK-JENIJYKNSA-N 2 1 374.533 1.887 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+]3CCCC[C@H]3C2)CCC[N@H+]1C ZINC000329312897 824730658 /nfs/dbraw/zinc/73/06/58/824730658.db2.gz GPRSGQAJFCXVHK-JENIJYKNSA-N 2 1 374.533 1.887 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105669942 844338037 /nfs/dbraw/zinc/33/80/37/844338037.db2.gz WSDXTCRWVYOHOP-JYBIWHBTSA-N 2 1 358.486 1.181 20 30 FDEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](Cc3cc(C#N)ccc3OC)C[C@H]21)[NH+](C)C ZINC001075940387 840068556 /nfs/dbraw/zinc/06/85/56/840068556.db2.gz MHZLKIJJPFJGKF-QXAKKESOSA-N 2 1 370.497 1.940 20 30 FDEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C#N)ccc3OC)C[C@H]21)[NH+](C)C ZINC001075940387 840068574 /nfs/dbraw/zinc/06/85/74/840068574.db2.gz MHZLKIJJPFJGKF-QXAKKESOSA-N 2 1 370.497 1.940 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105666706 843296746 /nfs/dbraw/zinc/29/67/46/843296746.db2.gz IMAJKJAXRWGJHP-LFGUQSLTSA-N 2 1 351.535 1.870 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000668843386 857696923 /nfs/dbraw/zinc/69/69/23/857696923.db2.gz PVXSTCWVZKJTKZ-QGZVFWFLSA-N 2 1 350.507 1.086 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)CC1 ZINC000669334723 863001160 /nfs/dbraw/zinc/00/11/60/863001160.db2.gz KEBZDEMUCFJTGA-SJORKVTESA-N 2 1 360.506 1.532 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC000669035518 860856806 /nfs/dbraw/zinc/85/68/06/860856806.db2.gz NKXAZCMOXFICBY-MSOLQXFVSA-N 2 1 374.533 1.778 20 30 FDEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667144 876483331 /nfs/dbraw/zinc/48/33/31/876483331.db2.gz KOKUVXWDAIRSPB-BPQIPLTHSA-N 2 1 360.502 1.641 20 30 FDEDMP Cc1cc(C=NNCC[NH+]2CCCCC2)c(C)n1CC[NH+]1CCOCC1 ZINC000915975725 881267708 /nfs/dbraw/zinc/26/77/08/881267708.db2.gz WOMPTLSWIHIIMF-UHFFFAOYSA-N 2 1 361.534 1.847 20 30 FDEDMP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089942471 912673760 /nfs/dbraw/zinc/67/37/60/912673760.db2.gz WMCNKZUQVIMORP-GBESFXJTSA-N 2 1 361.530 1.727 20 30 FDEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089942471 912673773 /nfs/dbraw/zinc/67/37/73/912673773.db2.gz WMCNKZUQVIMORP-GBESFXJTSA-N 2 1 361.530 1.727 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089942471 912673782 /nfs/dbraw/zinc/67/37/82/912673782.db2.gz WMCNKZUQVIMORP-GBESFXJTSA-N 2 1 361.530 1.727 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103560 885700207 /nfs/dbraw/zinc/70/02/07/885700207.db2.gz MOUWZAVGYATRFA-OIISXLGYSA-N 2 1 357.462 1.179 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001129103560 885700212 /nfs/dbraw/zinc/70/02/12/885700212.db2.gz MOUWZAVGYATRFA-OIISXLGYSA-N 2 1 357.462 1.179 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001031684091 887453254 /nfs/dbraw/zinc/45/32/54/887453254.db2.gz GPQDVDUBSSDJHQ-VQTJNVASSA-N 2 1 370.497 1.867 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000921886121 892536455 /nfs/dbraw/zinc/53/64/55/892536455.db2.gz WTRHQVUZPOXUCR-HXUWFJFHSA-N 2 1 370.497 1.150 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1=O ZINC001002858343 894698637 /nfs/dbraw/zinc/69/86/37/894698637.db2.gz CFNLHVHPIAVFKI-RCCFBDPRSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945548 896729678 /nfs/dbraw/zinc/72/96/78/896729678.db2.gz SEOYQMMTBPYVFL-FGTMMUONSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945548 896729683 /nfs/dbraw/zinc/72/96/83/896729683.db2.gz SEOYQMMTBPYVFL-FGTMMUONSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945548 896729685 /nfs/dbraw/zinc/72/96/85/896729685.db2.gz SEOYQMMTBPYVFL-FGTMMUONSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945548 896729692 /nfs/dbraw/zinc/72/96/92/896729692.db2.gz SEOYQMMTBPYVFL-FGTMMUONSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945548 896729700 /nfs/dbraw/zinc/72/97/00/896729700.db2.gz SEOYQMMTBPYVFL-FGTMMUONSA-N 2 1 365.518 1.269 20 30 FDEDMP C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083166965 901916559 /nfs/dbraw/zinc/91/65/59/901916559.db2.gz RZJOZCMGDWWGLB-JTQLQIEISA-N 2 1 369.391 1.444 20 30 FDEDMP C[NH+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083166965 901916561 /nfs/dbraw/zinc/91/65/61/901916561.db2.gz RZJOZCMGDWWGLB-JTQLQIEISA-N 2 1 369.391 1.444 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCCCN2C)C1 ZINC001079138204 902017472 /nfs/dbraw/zinc/01/74/72/902017472.db2.gz TULQWGZNKIBJBP-NJDAHSKKSA-N 2 1 369.509 1.568 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079250185 902268669 /nfs/dbraw/zinc/26/86/69/902268669.db2.gz QHYMKSUDBLFZIM-ZWKOTPCHSA-N 2 1 356.470 1.154 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243162 902340109 /nfs/dbraw/zinc/34/01/09/902340109.db2.gz PECADDGABOBXST-AKHDSKFASA-N 2 1 361.530 1.842 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710767 903122348 /nfs/dbraw/zinc/12/23/48/903122348.db2.gz WCYUYPVALLQJRC-HEFCMCLBSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001079710767 903122354 /nfs/dbraw/zinc/12/23/54/903122354.db2.gz WCYUYPVALLQJRC-HEFCMCLBSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726114 903144004 /nfs/dbraw/zinc/14/40/04/903144004.db2.gz CAVFVJHFJQFMMO-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726114 903144006 /nfs/dbraw/zinc/14/40/06/903144006.db2.gz CAVFVJHFJQFMMO-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726114 903144014 /nfs/dbraw/zinc/14/40/14/903144014.db2.gz CAVFVJHFJQFMMO-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726114 903144020 /nfs/dbraw/zinc/14/40/20/903144020.db2.gz CAVFVJHFJQFMMO-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081676219 904925066 /nfs/dbraw/zinc/92/50/66/904925066.db2.gz ZOPFDCXYFNIHSA-VAMGGRTRSA-N 2 1 368.481 1.215 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001081676219 904925072 /nfs/dbraw/zinc/92/50/72/904925072.db2.gz ZOPFDCXYFNIHSA-VAMGGRTRSA-N 2 1 368.481 1.215 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cc1C#N ZINC001080377467 905283097 /nfs/dbraw/zinc/28/30/97/905283097.db2.gz SCMSNTNAOZEDOS-DNVCBOLYSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cc1C#N ZINC001080447029 905450751 /nfs/dbraw/zinc/45/07/51/905450751.db2.gz VAJQXKFRLNXAKV-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CC[C@@H](C)C3)C2)cc1C#N ZINC001080447029 905450760 /nfs/dbraw/zinc/45/07/60/905450760.db2.gz VAJQXKFRLNXAKV-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cc1C#N ZINC001080447029 905450768 /nfs/dbraw/zinc/45/07/68/905450768.db2.gz VAJQXKFRLNXAKV-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)cc1C#N ZINC001080447029 905450774 /nfs/dbraw/zinc/45/07/74/905450774.db2.gz VAJQXKFRLNXAKV-GPMSIDNRSA-N 2 1 370.497 1.845 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080780818 906250622 /nfs/dbraw/zinc/25/06/22/906250622.db2.gz DHTOTQXANVUIPZ-YVWKXTFCSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080780818 906250635 /nfs/dbraw/zinc/25/06/35/906250635.db2.gz DHTOTQXANVUIPZ-YVWKXTFCSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080780818 906250666 /nfs/dbraw/zinc/25/06/66/906250666.db2.gz DHTOTQXANVUIPZ-YVWKXTFCSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080780818 906250674 /nfs/dbraw/zinc/25/06/74/906250674.db2.gz DHTOTQXANVUIPZ-YVWKXTFCSA-N 2 1 357.473 1.956 20 30 FDEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107646290 906262480 /nfs/dbraw/zinc/26/24/80/906262480.db2.gz GLMMNOSJHLSLGY-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107646290 906262489 /nfs/dbraw/zinc/26/24/89/906262489.db2.gz GLMMNOSJHLSLGY-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107646290 906262509 /nfs/dbraw/zinc/26/25/09/906262509.db2.gz GLMMNOSJHLSLGY-QKNQBKEWSA-N 2 1 361.530 1.871 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787565 906313410 /nfs/dbraw/zinc/31/34/10/906313410.db2.gz HKTODVWWBNODBV-RDTXWAMCSA-N 2 1 356.445 1.730 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001080787565 906313418 /nfs/dbraw/zinc/31/34/18/906313418.db2.gz HKTODVWWBNODBV-RDTXWAMCSA-N 2 1 356.445 1.730 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082520851 908223756 /nfs/dbraw/zinc/22/37/56/908223756.db2.gz XJNJLHZOMHGQKP-XNFNUYLZSA-N 2 1 370.497 1.866 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001082567970 908704249 /nfs/dbraw/zinc/70/42/49/908704249.db2.gz OTUJAFFIBNZKBT-ZMYBRWDISA-N 2 1 361.436 1.999 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC001082567970 908704260 /nfs/dbraw/zinc/70/42/60/908704260.db2.gz OTUJAFFIBNZKBT-ZMYBRWDISA-N 2 1 361.436 1.999 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OCC#N)cc2)C1 ZINC001082646287 909311653 /nfs/dbraw/zinc/31/16/53/909311653.db2.gz JZGNZBOUWCVZFS-DNVCBOLYSA-N 2 1 367.453 1.731 20 30 FDEDMP C=C(C)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC2 ZINC001127990751 909384445 /nfs/dbraw/zinc/38/44/45/909384445.db2.gz JQRZMXYTDIGTDT-OWCLPIDISA-N 2 1 360.506 1.105 20 30 FDEDMP C=C(C)C[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001127990751 909384465 /nfs/dbraw/zinc/38/44/65/909384465.db2.gz JQRZMXYTDIGTDT-OWCLPIDISA-N 2 1 360.506 1.105 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001082703463 909698525 /nfs/dbraw/zinc/69/85/25/909698525.db2.gz VTXLGHNHKPOLSQ-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001082703463 909698528 /nfs/dbraw/zinc/69/85/28/909698528.db2.gz VTXLGHNHKPOLSQ-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1cc(F)ccc1C#N ZINC001082861831 910523794 /nfs/dbraw/zinc/52/37/94/910523794.db2.gz PZEHHLFKSKVDOU-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC001082922398 910927358 /nfs/dbraw/zinc/92/73/58/910927358.db2.gz AVKGTVJKKFYAQW-FZKQIMNGSA-N 2 1 355.417 1.839 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001084830547 917508449 /nfs/dbraw/zinc/50/84/49/917508449.db2.gz YUJAZCUTIVMIAA-ZHALLVOQSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001084830547 917508455 /nfs/dbraw/zinc/50/84/55/917508455.db2.gz YUJAZCUTIVMIAA-ZHALLVOQSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001084830547 917508459 /nfs/dbraw/zinc/50/84/59/917508459.db2.gz YUJAZCUTIVMIAA-ZHALLVOQSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)c(F)c4)C[C@H]32)C1 ZINC001084830547 917508470 /nfs/dbraw/zinc/50/84/70/917508470.db2.gz YUJAZCUTIVMIAA-ZHALLVOQSA-N 2 1 356.445 1.682 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccn(C)n4)[C@H]3C2)CC1 ZINC001085100428 920913053 /nfs/dbraw/zinc/91/30/53/920913053.db2.gz BCOGLDJRNZITDR-XLIONFOSSA-N 2 1 369.513 1.188 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4ccn(C)n4)[C@H]3C2)CC1 ZINC001085100428 920913059 /nfs/dbraw/zinc/91/30/59/920913059.db2.gz BCOGLDJRNZITDR-XLIONFOSSA-N 2 1 369.513 1.188 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC001085229957 922983369 /nfs/dbraw/zinc/98/33/69/922983369.db2.gz SNZXBIUBRXFNAR-MXEMCNAFSA-N 2 1 369.509 1.835 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC001085229957 922983375 /nfs/dbraw/zinc/98/33/75/922983375.db2.gz SNZXBIUBRXFNAR-MXEMCNAFSA-N 2 1 369.509 1.835 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+][C@@H](C)c2ncccn2)CC1 ZINC001085432634 924679775 /nfs/dbraw/zinc/67/97/75/924679775.db2.gz IGDJKZPEXKLDML-QXAKKESOSA-N 2 1 369.513 1.900 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001129892065 938542675 /nfs/dbraw/zinc/54/26/75/938542675.db2.gz FSGLAIMBHLXDDF-QYZOEREBSA-N 2 1 370.501 1.050 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604464 939915705 /nfs/dbraw/zinc/91/57/05/939915705.db2.gz BDHXOCACBAJUJS-UHOSZYNNSA-N 2 1 357.502 1.202 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994323 940417316 /nfs/dbraw/zinc/41/73/16/940417316.db2.gz TWECYLHOXURMNP-BSDSXHPESA-N 2 1 357.502 1.058 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003508 940429698 /nfs/dbraw/zinc/42/96/98/940429698.db2.gz HSAAMGGQERHEMC-KZNAEPCWSA-N 2 1 357.502 1.202 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131318788 940551504 /nfs/dbraw/zinc/55/15/04/940551504.db2.gz QQLUDMFEIWDGQN-BBWFWOEESA-N 2 1 364.490 1.009 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131318788 940551505 /nfs/dbraw/zinc/55/15/05/940551505.db2.gz QQLUDMFEIWDGQN-BBWFWOEESA-N 2 1 364.490 1.009 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318788 940551506 /nfs/dbraw/zinc/55/15/06/940551506.db2.gz QQLUDMFEIWDGQN-BBWFWOEESA-N 2 1 364.490 1.009 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318788 940551507 /nfs/dbraw/zinc/55/15/07/940551507.db2.gz QQLUDMFEIWDGQN-BBWFWOEESA-N 2 1 364.490 1.009 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001086721395 941646618 /nfs/dbraw/zinc/64/66/18/941646618.db2.gz XCGXKODGZJBUAV-SCTDSRPQSA-N 2 1 357.502 1.375 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC001086721395 941646621 /nfs/dbraw/zinc/64/66/21/941646621.db2.gz XCGXKODGZJBUAV-SCTDSRPQSA-N 2 1 357.502 1.375 20 30 FDEDMP COc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1C#N ZINC000823300616 945654722 /nfs/dbraw/zinc/65/47/22/945654722.db2.gz RHKPZKHGOKPQNP-UHFFFAOYSA-N 2 1 351.410 1.966 20 30 FDEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592809 971240073 /nfs/dbraw/zinc/24/00/73/971240073.db2.gz XJDIDVYUSBSIEK-IBGZPJMESA-N 2 1 373.501 1.749 20 30 FDEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592809 971240082 /nfs/dbraw/zinc/24/00/82/971240082.db2.gz XJDIDVYUSBSIEK-IBGZPJMESA-N 2 1 373.501 1.749 20 30 FDEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592809 971240090 /nfs/dbraw/zinc/24/00/90/971240090.db2.gz XJDIDVYUSBSIEK-IBGZPJMESA-N 2 1 373.501 1.749 20 30 FDEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856592809 971240100 /nfs/dbraw/zinc/24/01/00/971240100.db2.gz XJDIDVYUSBSIEK-IBGZPJMESA-N 2 1 373.501 1.749 20 30 FDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690689 952663859 /nfs/dbraw/zinc/66/38/59/952663859.db2.gz LGVOHLJWHSSVSD-BPAFIMBUSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[N@@H+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690689 952663860 /nfs/dbraw/zinc/66/38/60/952663860.db2.gz LGVOHLJWHSSVSD-BPAFIMBUSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690689 952663862 /nfs/dbraw/zinc/66/38/62/952663862.db2.gz LGVOHLJWHSSVSD-BPAFIMBUSA-N 2 1 355.486 1.594 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc([C@@H]4CCC[NH+]4C)[nH]n3)C[C@]2(C)C1 ZINC001091690689 952663863 /nfs/dbraw/zinc/66/38/63/952663863.db2.gz LGVOHLJWHSSVSD-BPAFIMBUSA-N 2 1 355.486 1.594 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738219 952766720 /nfs/dbraw/zinc/76/67/20/952766720.db2.gz XPDIJBQCJHVVQC-GGPKGHCWSA-N 2 1 359.518 1.560 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@]2(C)C1 ZINC001091738219 952766724 /nfs/dbraw/zinc/76/67/24/952766724.db2.gz XPDIJBQCJHVVQC-GGPKGHCWSA-N 2 1 359.518 1.560 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cccnc4)C[C@@]3(C)C2)CC1 ZINC001092299743 954747805 /nfs/dbraw/zinc/74/78/05/954747805.db2.gz GFKNMOFGIATXAV-IRLDBZIGSA-N 2 1 366.509 1.707 20 30 FDEDMP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12 ZINC001092372769 955046466 /nfs/dbraw/zinc/04/64/66/955046466.db2.gz MYJJGAKVOXJZHX-YESZJQIVSA-N 2 1 355.486 1.209 20 30 FDEDMP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1nccn12 ZINC001092372769 955046479 /nfs/dbraw/zinc/04/64/79/955046479.db2.gz MYJJGAKVOXJZHX-YESZJQIVSA-N 2 1 355.486 1.209 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001092503986 955275740 /nfs/dbraw/zinc/27/57/40/955275740.db2.gz FXKAKKIUVLWKRF-ATZDWAIDSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001092503986 955275742 /nfs/dbraw/zinc/27/57/42/955275742.db2.gz FXKAKKIUVLWKRF-ATZDWAIDSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001092503986 955275749 /nfs/dbraw/zinc/27/57/49/955275749.db2.gz FXKAKKIUVLWKRF-ATZDWAIDSA-N 2 1 370.497 1.845 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522871 955317020 /nfs/dbraw/zinc/31/70/20/955317020.db2.gz WPDWFNMIPPFYJT-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001092522871 955317029 /nfs/dbraw/zinc/31/70/29/955317029.db2.gz WPDWFNMIPPFYJT-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001092522871 955317039 /nfs/dbraw/zinc/31/70/39/955317039.db2.gz WPDWFNMIPPFYJT-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001092522871 955317048 /nfs/dbraw/zinc/31/70/48/955317048.db2.gz WPDWFNMIPPFYJT-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092615791 955824548 /nfs/dbraw/zinc/82/45/48/955824548.db2.gz PSVVCOPYJCCFPS-AFYVEPGGSA-N 2 1 361.530 1.441 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC001092690043 956198808 /nfs/dbraw/zinc/19/88/08/956198808.db2.gz XXHYWGYGGYZBST-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC001092690043 956198809 /nfs/dbraw/zinc/19/88/09/956198809.db2.gz XXHYWGYGGYZBST-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@H]1C ZINC001092690043 956198819 /nfs/dbraw/zinc/19/88/19/956198819.db2.gz XXHYWGYGGYZBST-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnc(C)s2)C[C@H]1C ZINC001092690043 956198826 /nfs/dbraw/zinc/19/88/26/956198826.db2.gz XXHYWGYGGYZBST-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001093673184 958516614 /nfs/dbraw/zinc/51/66/14/958516614.db2.gz KQZDXSVSKZVWKW-LZQZEXGQSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)c(C)o2)[C@H](C)C1 ZINC001093830796 958922495 /nfs/dbraw/zinc/92/24/95/958922495.db2.gz SULMTKPBZIGABC-OLMNPRSZSA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nc(C)c(C)o2)[C@H](C)C1 ZINC001093830796 958922497 /nfs/dbraw/zinc/92/24/97/958922497.db2.gz SULMTKPBZIGABC-OLMNPRSZSA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(CC)o2)[C@H](C)C1 ZINC001093833104 958928453 /nfs/dbraw/zinc/92/84/53/958928453.db2.gz RXZSAWHRNARVMO-NUJGCVRESA-N 2 1 358.486 1.519 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncc(CC)o2)[C@H](C)C1 ZINC001093833104 958928454 /nfs/dbraw/zinc/92/84/54/958928454.db2.gz RXZSAWHRNARVMO-NUJGCVRESA-N 2 1 358.486 1.519 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1 ZINC001094233974 960143454 /nfs/dbraw/zinc/14/34/54/960143454.db2.gz BPDLDOKBVCWNDF-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccccc3C#N)[C@H](C)C2)C1 ZINC001094233974 960143464 /nfs/dbraw/zinc/14/34/64/960143464.db2.gz BPDLDOKBVCWNDF-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000854094095 968588041 /nfs/dbraw/zinc/58/80/41/968588041.db2.gz DMHKANCEUUAKGW-IBGZPJMESA-N 2 1 358.486 1.008 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000854094095 968588049 /nfs/dbraw/zinc/58/80/49/968588049.db2.gz DMHKANCEUUAKGW-IBGZPJMESA-N 2 1 358.486 1.008 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000854094095 968588059 /nfs/dbraw/zinc/58/80/59/968588059.db2.gz DMHKANCEUUAKGW-IBGZPJMESA-N 2 1 358.486 1.008 20 30 FDEDMP CC(C)(O)C[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000865660276 974409205 /nfs/dbraw/zinc/40/92/05/974409205.db2.gz RSHNLCPPEFOCST-FQEVSTJZSA-N 2 1 356.514 1.957 20 30 FDEDMP CC(C)(O)C[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000865660276 974409214 /nfs/dbraw/zinc/40/92/14/974409214.db2.gz RSHNLCPPEFOCST-FQEVSTJZSA-N 2 1 356.514 1.957 20 30 FDEDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]([NH3+])CCCCC#N)CC2)cc1 ZINC000848414974 976723296 /nfs/dbraw/zinc/72/32/96/976723296.db2.gz GSJGDOFUVZXGHM-IBGZPJMESA-N 2 1 373.501 1.345 20 30 FDEDMP N#CCOc1ccc(Cl)cc1Cn1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000881302638 979820821 /nfs/dbraw/zinc/82/08/21/979820821.db2.gz FIBLZHKZBBHPHM-UHFFFAOYSA-N 2 1 374.876 1.848 20 30 FDEDMP CC[N@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133972873 982982599 /nfs/dbraw/zinc/98/25/99/982982599.db2.gz FOKVNPFQRNMOLZ-CVEARBPZSA-N 2 1 365.522 1.741 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl)C2 ZINC000884278248 983049088 /nfs/dbraw/zinc/04/90/88/983049088.db2.gz HFCZYWOHPOTDMF-BOLVRDICSA-N 2 1 358.873 1.952 20 30 FDEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000363572730 989314200 /nfs/dbraw/zinc/31/42/00/989314200.db2.gz IVBUXZSZCRRPCL-MRXNPFEDSA-N 2 1 359.449 1.665 20 30 FDEDMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000363572730 989314210 /nfs/dbraw/zinc/31/42/10/989314210.db2.gz IVBUXZSZCRRPCL-MRXNPFEDSA-N 2 1 359.449 1.665 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC000968725388 1015577671 /nfs/dbraw/zinc/57/76/71/1015577671.db2.gz VKAKNPKVQIAIMM-ZTFGCOKTSA-N 2 1 356.470 1.598 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000923642524 992031615 /nfs/dbraw/zinc/03/16/15/992031615.db2.gz UQUVDAHXZUPPKC-FQEVSTJZSA-N 2 1 354.498 1.966 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000876755879 992878837 /nfs/dbraw/zinc/87/88/37/992878837.db2.gz MZQQTURKLYTKIZ-GOSISDBHSA-N 2 1 364.921 1.733 20 30 FDEDMP CN(CCC#N)C(=O)CC[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000374747152 992934979 /nfs/dbraw/zinc/93/49/79/992934979.db2.gz DBQARUJBRFYCEF-UHFFFAOYSA-N 2 1 357.502 1.782 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000876976305 992992864 /nfs/dbraw/zinc/99/28/64/992992864.db2.gz NRBROOZBNXLIFV-DLBZAZTESA-N 2 1 350.894 1.389 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000876976305 992992873 /nfs/dbraw/zinc/99/28/73/992992873.db2.gz NRBROOZBNXLIFV-DLBZAZTESA-N 2 1 350.894 1.389 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000469793042 993881356 /nfs/dbraw/zinc/88/13/56/993881356.db2.gz BIUTYHGJRPVFQT-FXAWDEMLSA-N 2 1 372.513 1.901 20 30 FDEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000469793042 993881366 /nfs/dbraw/zinc/88/13/66/993881366.db2.gz BIUTYHGJRPVFQT-FXAWDEMLSA-N 2 1 372.513 1.901 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1 ZINC000267432902 999334663 /nfs/dbraw/zinc/33/46/63/999334663.db2.gz MYFRIRBMSOKJQG-GOSISDBHSA-N 2 1 357.502 1.698 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976215 1002315469 /nfs/dbraw/zinc/31/54/69/1002315469.db2.gz HJSLGMTVFCMYQT-QRVBRYPASA-N 2 1 374.529 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001110976215 1002315483 /nfs/dbraw/zinc/31/54/83/1002315483.db2.gz HJSLGMTVFCMYQT-QRVBRYPASA-N 2 1 374.529 1.250 20 30 FDEDMP C#CC1(O)CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC000931144804 1003922214 /nfs/dbraw/zinc/92/22/14/1003922214.db2.gz FNTNHKPLTGJLIB-UHFFFAOYSA-N 2 1 369.509 1.489 20 30 FDEDMP C#CC1(O)CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC1 ZINC000931144804 1003922216 /nfs/dbraw/zinc/92/22/16/1003922216.db2.gz FNTNHKPLTGJLIB-UHFFFAOYSA-N 2 1 369.509 1.489 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867189 1009643451 /nfs/dbraw/zinc/64/34/51/1009643451.db2.gz CTKXAOQDPLVQRI-WOJBJXKFSA-N 2 1 373.545 1.757 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC000961848708 1012938973 /nfs/dbraw/zinc/93/89/73/1012938973.db2.gz HFLRBLKNSHVXQB-CNXCKVANSA-N 2 1 370.497 1.914 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933194 540661504 /nfs/dbraw/zinc/66/15/04/540661504.db2.gz NILMWOVFPCSWHZ-BBWFWOEESA-N 2 1 353.507 1.267 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933194 540661507 /nfs/dbraw/zinc/66/15/07/540661507.db2.gz NILMWOVFPCSWHZ-BBWFWOEESA-N 2 1 353.507 1.267 20 30 FDEDMP CN(CC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000177381032 174126011 /nfs/dbraw/zinc/12/60/11/174126011.db2.gz NMWCBXCADWXLJH-IBGZPJMESA-N 2 1 360.502 1.256 20 30 FDEDMP COc1ccccc1OC[C@H](C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000160764559 524966731 /nfs/dbraw/zinc/96/67/31/524966731.db2.gz RWYOBVBBHCNTAC-MRXNPFEDSA-N 2 1 364.490 1.337 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000171568201 526039167 /nfs/dbraw/zinc/03/91/67/526039167.db2.gz CZRMNCHYCKKWFF-AEFFLSMTSA-N 2 1 362.518 1.086 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000247541077 537131358 /nfs/dbraw/zinc/13/13/58/537131358.db2.gz CZRMNCHYCKKWFF-WMZOPIPTSA-N 2 1 362.518 1.086 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274850729 537533999 /nfs/dbraw/zinc/53/39/99/537533999.db2.gz QWCOQUAIVAKXKM-RYRKJORJSA-N 2 1 358.486 1.887 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424150814 538245825 /nfs/dbraw/zinc/24/58/25/538245825.db2.gz ZOSLDZARAPJQPV-CRAIPNDOSA-N 2 1 360.458 1.415 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424150814 538245829 /nfs/dbraw/zinc/24/58/29/538245829.db2.gz ZOSLDZARAPJQPV-CRAIPNDOSA-N 2 1 360.458 1.415 20 30 FDEDMP CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424152216 538246976 /nfs/dbraw/zinc/24/69/76/538246976.db2.gz JBVLDIBMBHVIHT-QYZOEREBSA-N 2 1 358.486 1.803 20 30 FDEDMP CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424152216 538246979 /nfs/dbraw/zinc/24/69/79/538246979.db2.gz JBVLDIBMBHVIHT-QYZOEREBSA-N 2 1 358.486 1.803 20 30 FDEDMP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000565363338 547321141 /nfs/dbraw/zinc/32/11/41/547321141.db2.gz FGBQNKMEENCYTF-KRWDZBQOSA-N 2 1 365.499 1.158 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[N@H+](CC)CC1)C(C)C ZINC000577755449 550691746 /nfs/dbraw/zinc/69/17/46/550691746.db2.gz RNKCMIIGPJMVOT-GOSISDBHSA-N 2 1 364.534 1.355 20 30 FDEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000594439038 552310330 /nfs/dbraw/zinc/31/03/30/552310330.db2.gz NCYNSAUNIFKMPS-WDSOQIARSA-N 2 1 358.486 1.803 20 30 FDEDMP C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000594439038 552310332 /nfs/dbraw/zinc/31/03/32/552310332.db2.gz NCYNSAUNIFKMPS-WDSOQIARSA-N 2 1 358.486 1.803 20 30 FDEDMP C[NH+]1CCN([C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)c2cccs2)CC1 ZINC000594439396 552310439 /nfs/dbraw/zinc/31/04/39/552310439.db2.gz QHGZWYGKEAORHH-JKSUJKDBSA-N 2 1 363.531 1.564 20 30 FDEDMP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)[NH+]1CCN(c2ccccc2)CC1 ZINC000594438795 552310585 /nfs/dbraw/zinc/31/05/85/552310585.db2.gz LSNXYPKFGIESFT-HKUYNNGSSA-N 2 1 357.502 1.725 20 30 FDEDMP CN1CC[N@@H+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439720 552311341 /nfs/dbraw/zinc/31/13/41/552311341.db2.gz UNCOPWORDADFLJ-WOJBJXKFSA-N 2 1 371.529 1.893 20 30 FDEDMP C[N@@H+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439720 552311342 /nfs/dbraw/zinc/31/13/42/552311342.db2.gz UNCOPWORDADFLJ-WOJBJXKFSA-N 2 1 371.529 1.893 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439720 552311343 /nfs/dbraw/zinc/31/13/43/552311343.db2.gz UNCOPWORDADFLJ-WOJBJXKFSA-N 2 1 371.529 1.893 20 30 FDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595909987 552632026 /nfs/dbraw/zinc/63/20/26/552632026.db2.gz FVVKABVAUVGLLY-INIZCTEOSA-N 2 1 351.458 1.466 20 30 FDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595909987 552632027 /nfs/dbraw/zinc/63/20/27/552632027.db2.gz FVVKABVAUVGLLY-INIZCTEOSA-N 2 1 351.458 1.466 20 30 FDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598588182 552911902 /nfs/dbraw/zinc/91/19/02/552911902.db2.gz IQWJOOYBPMVMGG-GOSISDBHSA-N 2 1 364.534 1.553 20 30 FDEDMP CC(C)[C@@H](C#N)N1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602794111 553640278 /nfs/dbraw/zinc/64/02/78/553640278.db2.gz FNWIVHNFYCYSDK-NHCUHLMSSA-N 2 1 356.514 1.789 20 30 FDEDMP CC[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)N1CCS[C@@H](C(C)C)C1 ZINC000179073685 672154301 /nfs/dbraw/zinc/15/43/01/672154301.db2.gz FGZPJBGVLIUQRT-MRXNPFEDSA-N 2 1 369.579 1.189 20 30 FDEDMP CCc1nsc(N2CCN(C(NC[C@H]3CC[N@H+](CC)C3)=[NH+]C)CC2)n1 ZINC000261694247 672652863 /nfs/dbraw/zinc/65/28/63/672652863.db2.gz FKUFKTAMHIUUJZ-CQSZACIVSA-N 2 1 365.551 1.140 20 30 FDEDMP C[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261783053 672671625 /nfs/dbraw/zinc/67/16/25/672671625.db2.gz QFXYTHZRSFADEB-QGZVFWFLSA-N 3 1 351.539 1.090 20 30 FDEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH+]C)N2CC(=O)N(C(C)C)C(C)(C)C2)C1 ZINC000261813365 672676485 /nfs/dbraw/zinc/67/64/85/672676485.db2.gz HVFRYHRCISHHIU-INIZCTEOSA-N 2 1 351.539 1.625 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(Cl)c2c(c1)OCCO2 ZINC000262003738 672710154 /nfs/dbraw/zinc/71/01/54/672710154.db2.gz QNYGUTOWTVDQEX-ZDUSSCGKSA-N 2 1 352.866 2.000 20 30 FDEDMP [NH2+]=C(N[C@@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262494023 672798888 /nfs/dbraw/zinc/79/88/88/672798888.db2.gz YJSVLJAJDRPDRF-OAHLLOKOSA-N 2 1 358.877 1.988 20 30 FDEDMP [NH2+]=C(N[C@H]1CCn2cc[nH+]c2C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262494022 672798927 /nfs/dbraw/zinc/79/89/27/672798927.db2.gz YJSVLJAJDRPDRF-HNNXBMFYSA-N 2 1 358.877 1.988 20 30 FDEDMP C[N@H+]1CCCN(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000264113626 672901552 /nfs/dbraw/zinc/90/15/52/672901552.db2.gz RVZJEGUCYYXREB-UHFFFAOYSA-N 2 1 359.396 1.949 20 30 FDEDMP CO[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000267393838 673299324 /nfs/dbraw/zinc/29/93/24/673299324.db2.gz DLZQYTUWUINFRY-MRXNPFEDSA-N 2 1 354.882 1.654 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1nc(C(F)(F)F)cs1 ZINC000267442331 673304542 /nfs/dbraw/zinc/30/45/42/673304542.db2.gz PLTFMOYNHQOWBS-UHFFFAOYSA-N 2 1 365.425 1.331 20 30 FDEDMP COc1ccc(O[C@H](C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000267462492 673306742 /nfs/dbraw/zinc/30/67/42/673306742.db2.gz VQQPFTSPXYSUAJ-OAHLLOKOSA-N 2 1 350.463 1.089 20 30 FDEDMP C[C@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)OCCc2sccc21 ZINC000290629208 676219218 /nfs/dbraw/zinc/21/92/18/676219218.db2.gz LCMNWLVPOLINAS-QGZVFWFLSA-N 2 1 352.504 1.163 20 30 FDEDMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303871586 676543327 /nfs/dbraw/zinc/54/33/27/676543327.db2.gz BRZZFJFYYBOCBA-OAHLLOKOSA-N 2 1 353.511 1.586 20 30 FDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)Oc1ccc(Cl)cc1 ZINC000304744969 676544271 /nfs/dbraw/zinc/54/42/71/676544271.db2.gz YEXIEQJTBNXHGX-AWEZNQCLSA-N 2 1 354.882 1.734 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000304750073 676544315 /nfs/dbraw/zinc/54/43/15/676544315.db2.gz ICJZLPDHOHXLIA-IUODEOHRSA-N 2 1 354.857 1.962 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000328183061 676598051 /nfs/dbraw/zinc/59/80/51/676598051.db2.gz NSSGHZPYZSCBGD-HNNXBMFYSA-N 2 1 355.276 1.734 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000328183061 676598052 /nfs/dbraw/zinc/59/80/52/676598052.db2.gz NSSGHZPYZSCBGD-HNNXBMFYSA-N 2 1 355.276 1.734 20 30 FDEDMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC(=O)NC3CC3)CC2)CC1 ZINC000329666922 676648515 /nfs/dbraw/zinc/64/85/15/676648515.db2.gz LDGKLDOCKNTIED-UHFFFAOYSA-N 2 1 351.495 1.369 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000329729658 676652113 /nfs/dbraw/zinc/65/21/13/676652113.db2.gz FXVXQBBRJPHTMU-INIZCTEOSA-N 2 1 350.507 1.762 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364342202 677009138 /nfs/dbraw/zinc/00/91/38/677009138.db2.gz MAJVWRLIADTMBN-VSZNYVQBSA-N 2 1 350.507 1.474 20 30 FDEDMP CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000364342202 677009139 /nfs/dbraw/zinc/00/91/39/677009139.db2.gz MAJVWRLIADTMBN-VSZNYVQBSA-N 2 1 350.507 1.474 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681443 681622399 /nfs/dbraw/zinc/62/23/99/681622399.db2.gz KGWWWEUWIHDXNK-OAHLLOKOSA-N 2 1 362.499 1.704 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435681443 681622403 /nfs/dbraw/zinc/62/24/03/681622403.db2.gz KGWWWEUWIHDXNK-OAHLLOKOSA-N 2 1 362.499 1.704 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCN(CC)CC2)CC1 ZINC000458317878 684241084 /nfs/dbraw/zinc/24/10/84/684241084.db2.gz CFSYWUVEUVOCRH-UHFFFAOYSA-N 2 1 351.539 1.352 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471871741 779466970 /nfs/dbraw/zinc/46/69/70/779466970.db2.gz MSVOXKKADPQTNZ-ROUUACIJSA-N 2 1 358.486 1.670 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471871741 779466971 /nfs/dbraw/zinc/46/69/71/779466971.db2.gz MSVOXKKADPQTNZ-ROUUACIJSA-N 2 1 358.486 1.670 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162454495 795344030 /nfs/dbraw/zinc/34/40/30/795344030.db2.gz RLJZABVBLQJXFM-OAQYLSRUSA-N 2 1 373.545 1.538 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000364454160 796037499 /nfs/dbraw/zinc/03/74/99/796037499.db2.gz IXGMZGDHOKGORC-NRFANRHFSA-N 2 1 368.525 1.437 20 30 FDEDMP C#CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530082 806540693 /nfs/dbraw/zinc/54/06/93/806540693.db2.gz CDXGLJMKOVLOBR-WFXMLNOXSA-N 2 1 354.498 1.996 20 30 FDEDMP CN(CCC#N)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000105475993 807099074 /nfs/dbraw/zinc/09/90/74/807099074.db2.gz INHPCDVEYUXTAR-SFHVURJKSA-N 2 1 357.502 1.713 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1ccccc1 ZINC001211723311 809315763 /nfs/dbraw/zinc/31/57/63/809315763.db2.gz SREPGHWGNVTOOE-VQTJNVASSA-N 2 1 368.481 1.978 20 30 FDEDMP C[NH+]=C(NCc1ccn(C2CCCC2)n1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261691339 809845677 /nfs/dbraw/zinc/84/56/77/809845677.db2.gz INDKBUIBBIARMT-KRWDZBQOSA-N 2 1 374.533 1.728 20 30 FDEDMP COc1ccc(CNCC(=O)N2CCN(C)CC2)cc1OCCCC#N ZINC000147219366 809878554 /nfs/dbraw/zinc/87/85/54/809878554.db2.gz VAROBWJBFNLCJO-UHFFFAOYSA-N 2 1 360.458 1.241 20 30 FDEDMP C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000332923477 809946315 /nfs/dbraw/zinc/94/63/15/809946315.db2.gz GAABRIMPJQEDTI-QFBILLFUSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cc(F)ccc3C#N)C2)CC[N@@H+]1C ZINC001028549842 810618319 /nfs/dbraw/zinc/61/83/19/810618319.db2.gz BLAAGUOIOCMMSW-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3cc(F)ccc3C#N)C2)CC[N@H+]1C ZINC001028549842 810618324 /nfs/dbraw/zinc/61/83/24/810618324.db2.gz BLAAGUOIOCMMSW-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3cc(F)ccc3C#N)C2)CC[NH+]1C ZINC001028549842 810618328 /nfs/dbraw/zinc/61/83/28/810618328.db2.gz BLAAGUOIOCMMSW-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cc(F)ccc3C#N)C2)CC[NH+]1C ZINC001028549842 810618332 /nfs/dbraw/zinc/61/83/32/810618332.db2.gz BLAAGUOIOCMMSW-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC001028550426 810621871 /nfs/dbraw/zinc/62/18/71/810621871.db2.gz PIEKNCKNQZJBLR-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(C#N)cc3F)C2)CC[NH+]1C ZINC001028550426 810621872 /nfs/dbraw/zinc/62/18/72/810621872.db2.gz PIEKNCKNQZJBLR-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC[NH+]1C ZINC001028550426 810621873 /nfs/dbraw/zinc/62/18/73/810621873.db2.gz PIEKNCKNQZJBLR-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261936929 816530480 /nfs/dbraw/zinc/53/04/80/816530480.db2.gz MCZJNFUUBUIZCD-MRXNPFEDSA-N 2 1 363.550 1.767 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3ccnn3C)[C@@H]2CC)CC1 ZINC001087840443 822559738 /nfs/dbraw/zinc/55/97/38/822559738.db2.gz XSIQBPYIVUUGFZ-VQTJNVASSA-N 2 1 371.529 1.277 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCC[NH+]1C ZINC000329510804 824844520 /nfs/dbraw/zinc/84/45/20/824844520.db2.gz MVLXXJMRJUFAMB-LZLYRXPVSA-N 2 1 360.506 1.497 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+]3CCC[C@@H]3C2)CCC[N@@H+]1C ZINC000329510804 824844525 /nfs/dbraw/zinc/84/45/25/824844525.db2.gz MVLXXJMRJUFAMB-LZLYRXPVSA-N 2 1 360.506 1.497 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC3CC(F)(F)C3)CC[C@@H]2C1 ZINC001087998158 825074406 /nfs/dbraw/zinc/07/44/06/825074406.db2.gz UGXXJZQOQNUXSQ-SQNIBIBYSA-N 2 1 365.468 1.910 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC3CC(F)(F)C3)CC[C@@H]2C1 ZINC001087998158 825074413 /nfs/dbraw/zinc/07/44/13/825074413.db2.gz UGXXJZQOQNUXSQ-SQNIBIBYSA-N 2 1 365.468 1.910 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CC(F)(F)C3)CC[C@@H]2C1 ZINC001087998158 825074420 /nfs/dbraw/zinc/07/44/20/825074420.db2.gz UGXXJZQOQNUXSQ-SQNIBIBYSA-N 2 1 365.468 1.910 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC3CC(F)(F)C3)CC[C@@H]2C1 ZINC001087998158 825074427 /nfs/dbraw/zinc/07/44/27/825074427.db2.gz UGXXJZQOQNUXSQ-SQNIBIBYSA-N 2 1 365.468 1.910 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087998130 825075376 /nfs/dbraw/zinc/07/53/76/825075376.db2.gz SMNYIRFNCZSKQA-PMPSAXMXSA-N 2 1 357.420 1.817 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087998130 825075379 /nfs/dbraw/zinc/07/53/79/825075379.db2.gz SMNYIRFNCZSKQA-PMPSAXMXSA-N 2 1 357.420 1.817 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087998130 825075386 /nfs/dbraw/zinc/07/53/86/825075386.db2.gz SMNYIRFNCZSKQA-PMPSAXMXSA-N 2 1 357.420 1.817 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCC(F)(F)F)CC[C@@H]2C1 ZINC001087998130 825075389 /nfs/dbraw/zinc/07/53/89/825075389.db2.gz SMNYIRFNCZSKQA-PMPSAXMXSA-N 2 1 357.420 1.817 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)C1 ZINC000262335504 825338703 /nfs/dbraw/zinc/33/87/03/825338703.db2.gz SEBPEZRQKALPOD-INIZCTEOSA-N 2 1 362.474 1.931 20 30 FDEDMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)cn1 ZINC000329809669 825470665 /nfs/dbraw/zinc/47/06/65/825470665.db2.gz QGIREPLZEJSVOU-FUHWJXTLSA-N 2 1 362.522 1.807 20 30 FDEDMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)cn1 ZINC000329809669 825470669 /nfs/dbraw/zinc/47/06/69/825470669.db2.gz QGIREPLZEJSVOU-FUHWJXTLSA-N 2 1 362.522 1.807 20 30 FDEDMP CCn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cn1 ZINC000329809669 825470670 /nfs/dbraw/zinc/47/06/70/825470670.db2.gz QGIREPLZEJSVOU-FUHWJXTLSA-N 2 1 362.522 1.807 20 30 FDEDMP CCn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cn1 ZINC000329809669 825470675 /nfs/dbraw/zinc/47/06/75/825470675.db2.gz QGIREPLZEJSVOU-FUHWJXTLSA-N 2 1 362.522 1.807 20 30 FDEDMP C[NH+](C)C1(CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCCC1 ZINC000330129645 825661856 /nfs/dbraw/zinc/66/18/56/825661856.db2.gz KCIYRWKGMCIYPK-INIZCTEOSA-N 2 1 365.522 1.013 20 30 FDEDMP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)ncn1 ZINC000330189583 825712604 /nfs/dbraw/zinc/71/26/04/825712604.db2.gz LXCYHRSQCVSGSH-DNVCBOLYSA-N 2 1 373.505 1.429 20 30 FDEDMP C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172169 827242526 /nfs/dbraw/zinc/24/25/26/827242526.db2.gz YRTMUHWLSQCDKL-CABCVRRESA-N 2 1 368.319 1.771 20 30 FDEDMP C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088172169 827242528 /nfs/dbraw/zinc/24/25/28/827242528.db2.gz YRTMUHWLSQCDKL-CABCVRRESA-N 2 1 368.319 1.771 20 30 FDEDMP C=CCc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc(OC)c1O ZINC000262082556 837419772 /nfs/dbraw/zinc/41/97/72/837419772.db2.gz TXUPCKSCDHZHEX-KRWDZBQOSA-N 2 1 361.486 1.949 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105669940 844325848 /nfs/dbraw/zinc/32/58/48/844325848.db2.gz WSDXTCRWVYOHOP-HNBVOPMISA-N 2 1 358.486 1.181 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105667164 843517269 /nfs/dbraw/zinc/51/72/69/843517269.db2.gz OXDOKUOACIDJTC-HNBVOPMISA-N 2 1 351.535 1.870 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105667167 843518181 /nfs/dbraw/zinc/51/81/81/843518181.db2.gz OXDOKUOACIDJTC-LFGUQSLTSA-N 2 1 351.535 1.870 20 30 FDEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)CC1 ZINC001076206479 847560264 /nfs/dbraw/zinc/56/02/64/847560264.db2.gz QGNGIXLCIHWMOY-LEWJYISDSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)CC1 ZINC001076206479 847560272 /nfs/dbraw/zinc/56/02/72/847560272.db2.gz QGNGIXLCIHWMOY-LEWJYISDSA-N 2 1 351.494 1.913 20 30 FDEDMP N#Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC001076364546 847962464 /nfs/dbraw/zinc/96/24/64/847962464.db2.gz HJPJWQYKTQBWLB-VQTJNVASSA-N 2 1 368.481 1.313 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)c1 ZINC001076364546 847962468 /nfs/dbraw/zinc/96/24/68/847962468.db2.gz HJPJWQYKTQBWLB-VQTJNVASSA-N 2 1 368.481 1.313 20 30 FDEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077131482 849854850 /nfs/dbraw/zinc/85/48/50/849854850.db2.gz CWGVNAPGPJODAX-VAMGGRTRSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077131482 849854863 /nfs/dbraw/zinc/85/48/63/849854863.db2.gz CWGVNAPGPJODAX-VAMGGRTRSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077131482 849854875 /nfs/dbraw/zinc/85/48/75/849854875.db2.gz CWGVNAPGPJODAX-VAMGGRTRSA-N 2 1 370.497 1.482 20 30 FDEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC001077131482 849854882 /nfs/dbraw/zinc/85/48/82/849854882.db2.gz CWGVNAPGPJODAX-VAMGGRTRSA-N 2 1 370.497 1.482 20 30 FDEDMP C[C@H](CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000912508909 859832507 /nfs/dbraw/zinc/83/25/07/859832507.db2.gz SWLYOICTDZCGDW-SJORKVTESA-N 2 1 353.555 1.383 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC#Cc1ccc(F)cc1 ZINC001105945077 864179208 /nfs/dbraw/zinc/17/92/08/864179208.db2.gz KDVGYBFIWSZYAL-POAQFYNOSA-N 2 1 357.473 1.956 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000922297923 877403822 /nfs/dbraw/zinc/40/38/22/877403822.db2.gz CWTGKCVOHCQFRN-RXVVDRJESA-N 2 1 357.498 1.996 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@H](C)O2 ZINC000922297923 877403823 /nfs/dbraw/zinc/40/38/23/877403823.db2.gz CWTGKCVOHCQFRN-RXVVDRJESA-N 2 1 357.498 1.996 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000922627223 878845585 /nfs/dbraw/zinc/84/55/85/878845585.db2.gz KJJUSGKIDXLCFT-KRWDZBQOSA-N 2 1 350.507 1.226 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276613 887658760 /nfs/dbraw/zinc/65/87/60/887658760.db2.gz OIFJLNBLMSDSBN-SQNIBIBYSA-N 2 1 362.522 1.706 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C/C=C\c3ccccc3)C[C@H]2O)CC1 ZINC001078228517 898436151 /nfs/dbraw/zinc/43/61/51/898436151.db2.gz UEZQJLNSNDOLEV-NPKYYYDESA-N 2 1 367.493 1.206 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C/C=C\c3ccccc3)C[C@H]2O)CC1 ZINC001078228517 898436155 /nfs/dbraw/zinc/43/61/55/898436155.db2.gz UEZQJLNSNDOLEV-NPKYYYDESA-N 2 1 367.493 1.206 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107039782 900075101 /nfs/dbraw/zinc/07/51/01/900075101.db2.gz YSZUSJDHWQYPNB-QZTJIDSGSA-N 2 1 366.550 1.435 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CC)C[C@H]2O)CC1 ZINC001079146906 901968713 /nfs/dbraw/zinc/96/87/13/901968713.db2.gz NSPPQCSAUUYGCY-NHCUHLMSSA-N 2 1 369.509 1.425 20 30 FDEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCc4[nH+]ccn43)[C@@H]3COC[C@@H]32)CC1 ZINC001079245887 902255607 /nfs/dbraw/zinc/25/56/07/902255607.db2.gz LCYOQVBDOVTUTP-RCCFBDPRSA-N 2 1 370.497 1.886 20 30 FDEDMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259532 902294463 /nfs/dbraw/zinc/29/44/63/902294463.db2.gz DZFBUZLQDDVWFL-CEXWTWQISA-N 2 1 361.530 1.844 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]3COC[C@@H]32)CC1 ZINC001079243326 902342490 /nfs/dbraw/zinc/34/24/90/902342490.db2.gz YYMYKISSXRAHAO-VNTMZGSJSA-N 2 1 373.541 1.679 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710439 903120478 /nfs/dbraw/zinc/12/04/78/903120478.db2.gz IUIVBEFHABGYLY-CDHQVMDDSA-N 2 1 352.482 1.837 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710439 903120485 /nfs/dbraw/zinc/12/04/85/903120485.db2.gz IUIVBEFHABGYLY-CDHQVMDDSA-N 2 1 352.482 1.837 20 30 FDEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1=O ZINC000996602116 904323308 /nfs/dbraw/zinc/32/33/08/904323308.db2.gz DOYQAZGBSBTMQB-OKZBNKHCSA-N 2 1 362.518 1.084 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001107402283 904737811 /nfs/dbraw/zinc/73/78/11/904737811.db2.gz KHSHTFVMPUFFNZ-QKNQBKEWSA-N 2 1 361.530 1.870 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CCC[C@@H]12 ZINC001107402283 904737820 /nfs/dbraw/zinc/73/78/20/904737820.db2.gz KHSHTFVMPUFFNZ-QKNQBKEWSA-N 2 1 361.530 1.870 20 30 FDEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)CCC[C@@H]12 ZINC001107402283 904737823 /nfs/dbraw/zinc/73/78/23/904737823.db2.gz KHSHTFVMPUFFNZ-QKNQBKEWSA-N 2 1 361.530 1.870 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377096 905332821 /nfs/dbraw/zinc/33/28/21/905332821.db2.gz ABIMIHCBGCHDQT-AUUYWEPGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377096 905332835 /nfs/dbraw/zinc/33/28/35/905332835.db2.gz ABIMIHCBGCHDQT-AUUYWEPGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779516 906245623 /nfs/dbraw/zinc/24/56/23/906245623.db2.gz RAAKVYGPDXCXOV-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001080779516 906245637 /nfs/dbraw/zinc/24/56/37/906245637.db2.gz RAAKVYGPDXCXOV-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001080779516 906245650 /nfs/dbraw/zinc/24/56/50/906245650.db2.gz RAAKVYGPDXCXOV-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001080779516 906245667 /nfs/dbraw/zinc/24/56/67/906245667.db2.gz RAAKVYGPDXCXOV-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cc(C)ns3)C[C@H]2C)CC1 ZINC001080997900 906973899 /nfs/dbraw/zinc/97/38/99/906973899.db2.gz OHHSXIXMXMJOCU-RDTXWAMCSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cc(C)ns3)C[C@H]2C)CC1 ZINC001080997900 906973904 /nfs/dbraw/zinc/97/39/04/906973904.db2.gz OHHSXIXMXMJOCU-RDTXWAMCSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnccn3)C[C@H]2C)CC1 ZINC001080998102 906975766 /nfs/dbraw/zinc/97/57/66/906975766.db2.gz SLGHULPVCXLRBN-JTDSTZFVSA-N 2 1 355.486 1.319 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@H]2C)CC1 ZINC001080998102 906975771 /nfs/dbraw/zinc/97/57/71/906975771.db2.gz SLGHULPVCXLRBN-JTDSTZFVSA-N 2 1 355.486 1.319 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)cc1C#N ZINC001082448537 907813977 /nfs/dbraw/zinc/81/39/77/907813977.db2.gz UPONOOKMSDDPRU-ZTFGCOKTSA-N 2 1 356.470 1.598 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC001032410780 907889210 /nfs/dbraw/zinc/88/92/10/907889210.db2.gz URPMXUVEPVSUEW-HGKSCXNLSA-N 2 1 368.481 1.714 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC001032410780 907889223 /nfs/dbraw/zinc/88/92/23/907889223.db2.gz URPMXUVEPVSUEW-HGKSCXNLSA-N 2 1 368.481 1.714 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(OCC#N)cc2)CC[NH+]1C ZINC001032410780 907889229 /nfs/dbraw/zinc/88/92/29/907889229.db2.gz URPMXUVEPVSUEW-HGKSCXNLSA-N 2 1 368.481 1.714 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(OCC#N)cc2)CC[NH+]1C ZINC001032410780 907889235 /nfs/dbraw/zinc/88/92/35/907889235.db2.gz URPMXUVEPVSUEW-HGKSCXNLSA-N 2 1 368.481 1.714 20 30 FDEDMP C=CCOCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001107952585 908396489 /nfs/dbraw/zinc/39/64/89/908396489.db2.gz HTTYVJXSNDRPBN-SCTDSRPQSA-N 2 1 353.507 1.126 20 30 FDEDMP C=CCOCC[NH+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001107952585 908396507 /nfs/dbraw/zinc/39/65/07/908396507.db2.gz HTTYVJXSNDRPBN-SCTDSRPQSA-N 2 1 353.507 1.126 20 30 FDEDMP C=CCOCC[N@@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952585 908396523 /nfs/dbraw/zinc/39/65/23/908396523.db2.gz HTTYVJXSNDRPBN-SCTDSRPQSA-N 2 1 353.507 1.126 20 30 FDEDMP C=CCOCC[N@H+]1CCO[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001107952585 908396538 /nfs/dbraw/zinc/39/65/38/908396538.db2.gz HTTYVJXSNDRPBN-SCTDSRPQSA-N 2 1 353.507 1.126 20 30 FDEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001082646280 909311936 /nfs/dbraw/zinc/31/19/36/909311936.db2.gz JRLPJOIJWHRQMU-FZKQIMNGSA-N 2 1 355.417 1.839 20 30 FDEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC001082922423 910929146 /nfs/dbraw/zinc/92/91/46/910929146.db2.gz CHTZMKVLYVFLGK-FZKQIMNGSA-N 2 1 355.417 1.839 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092666 920804104 /nfs/dbraw/zinc/80/41/04/920804104.db2.gz LCLIXBXRCSBDNT-AHRSYUTCSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092666 920804111 /nfs/dbraw/zinc/80/41/11/920804111.db2.gz LCLIXBXRCSBDNT-AHRSYUTCSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccccc4C#N)[C@H]3C2)C1 ZINC001085092666 920804116 /nfs/dbraw/zinc/80/41/16/920804116.db2.gz LCLIXBXRCSBDNT-AHRSYUTCSA-N 2 1 352.482 1.933 20 30 FDEDMP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001086090571 925949716 /nfs/dbraw/zinc/94/97/16/925949716.db2.gz FZYTZTFSJHSOMF-SKWUIDRYSA-N 2 1 370.497 1.891 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729030 930261256 /nfs/dbraw/zinc/26/12/56/930261256.db2.gz PXBVGQJDYLBTCV-YVSFHVDLSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729030 930261263 /nfs/dbraw/zinc/26/12/63/930261263.db2.gz PXBVGQJDYLBTCV-YVSFHVDLSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729030 930261269 /nfs/dbraw/zinc/26/12/69/930261269.db2.gz PXBVGQJDYLBTCV-YVSFHVDLSA-N 2 1 364.534 1.377 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729030 930261276 /nfs/dbraw/zinc/26/12/76/930261276.db2.gz PXBVGQJDYLBTCV-YVSFHVDLSA-N 2 1 364.534 1.377 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446645 938443365 /nfs/dbraw/zinc/44/33/65/938443365.db2.gz MIXVMFVCVBZHTA-HXUWFJFHSA-N 2 1 356.514 1.523 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129918815 938567515 /nfs/dbraw/zinc/56/75/15/938567515.db2.gz KIYBQHGYQZACGM-BBWFWOEESA-N 2 1 362.522 1.705 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153283 938716964 /nfs/dbraw/zinc/71/69/64/938716964.db2.gz HUHUNXBRGGSHAH-MOPGFXCFSA-N 2 1 368.485 1.328 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153283 938716966 /nfs/dbraw/zinc/71/69/66/938716966.db2.gz HUHUNXBRGGSHAH-MOPGFXCFSA-N 2 1 368.485 1.328 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001130733938 940034131 /nfs/dbraw/zinc/03/41/31/940034131.db2.gz BGMUFZWASYKHPA-UHOSZYNNSA-N 2 1 357.502 1.202 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130989062 940411242 /nfs/dbraw/zinc/41/12/42/940411242.db2.gz UDXYCIOEVPPGGF-KZNAEPCWSA-N 2 1 357.502 1.200 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001131008219 940434765 /nfs/dbraw/zinc/43/47/65/940434765.db2.gz XNDJFCGTTUERSE-IPMKNSEASA-N 2 1 371.529 1.590 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001131012432 940444259 /nfs/dbraw/zinc/44/42/59/940444259.db2.gz ISYHGCSDJKYIID-RCCFBDPRSA-N 2 1 357.502 1.202 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1c1cncn1C ZINC001131091443 940495814 /nfs/dbraw/zinc/49/58/14/940495814.db2.gz HZBMTPSIDJNQBX-QZTJIDSGSA-N 2 1 359.518 1.449 20 30 FDEDMP C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131121079 940506383 /nfs/dbraw/zinc/50/63/83/940506383.db2.gz LXKSJRHJMHWUJH-CGTJXYLNSA-N 2 1 370.501 1.864 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001131502315 940652598 /nfs/dbraw/zinc/65/25/98/940652598.db2.gz AEHZLEFHECZQBZ-AABGKKOBSA-N 2 1 361.530 1.868 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000818588976 943297300 /nfs/dbraw/zinc/29/73/00/943297300.db2.gz LLCXSNOFMCQGDU-ROUUACIJSA-N 2 1 357.498 1.981 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000818588976 943297309 /nfs/dbraw/zinc/29/73/09/943297309.db2.gz LLCXSNOFMCQGDU-ROUUACIJSA-N 2 1 357.498 1.981 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@]2(C)C1 ZINC001091531247 951957617 /nfs/dbraw/zinc/95/76/17/951957617.db2.gz NGGOVAUDJUHBPJ-YCPHGPKFSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001091531247 951957621 /nfs/dbraw/zinc/95/76/21/951957621.db2.gz NGGOVAUDJUHBPJ-YCPHGPKFSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091531247 951957626 /nfs/dbraw/zinc/95/76/26/951957626.db2.gz NGGOVAUDJUHBPJ-YCPHGPKFSA-N 2 1 356.308 1.770 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001091531247 951957632 /nfs/dbraw/zinc/95/76/32/951957632.db2.gz NGGOVAUDJUHBPJ-YCPHGPKFSA-N 2 1 356.308 1.770 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087035131 953143958 /nfs/dbraw/zinc/14/39/58/953143958.db2.gz NAYCBSHZQBNLGT-VAMGGRTRSA-N 2 1 370.497 1.606 20 30 FDEDMP C[C@]12CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC001092203048 954528814 /nfs/dbraw/zinc/52/88/14/954528814.db2.gz AWCDJKNXHKVAKT-CTNGQTDRSA-N 2 1 364.493 1.934 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193857 957751621 /nfs/dbraw/zinc/75/16/21/957751621.db2.gz OHSMHNZXCLZOPK-NZSAHSFTSA-N 2 1 357.473 1.813 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193857 957751634 /nfs/dbraw/zinc/75/16/34/957751634.db2.gz OHSMHNZXCLZOPK-NZSAHSFTSA-N 2 1 357.473 1.813 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193857 957751642 /nfs/dbraw/zinc/75/16/42/957751642.db2.gz OHSMHNZXCLZOPK-NZSAHSFTSA-N 2 1 357.473 1.813 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2C)CC1 ZINC001093222058 957849050 /nfs/dbraw/zinc/84/90/50/957849050.db2.gz GCYODEWHZXZLTM-WIYYLYMNSA-N 2 1 368.525 1.919 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@H]2C)CC1 ZINC001093224448 957856010 /nfs/dbraw/zinc/85/60/10/957856010.db2.gz WNSMXRXXDHAESF-ZIFCJYIRSA-N 2 1 369.513 1.567 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001093672991 958514994 /nfs/dbraw/zinc/51/49/94/958514994.db2.gz HOLVKRXZWXKBOQ-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150608 959230950 /nfs/dbraw/zinc/23/09/50/959230950.db2.gz GSVSXRDJEJBJAM-BDXSIMOUSA-N 2 1 362.518 1.275 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110150608 959230966 /nfs/dbraw/zinc/23/09/66/959230966.db2.gz GSVSXRDJEJBJAM-BDXSIMOUSA-N 2 1 362.518 1.275 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1 ZINC001094234034 960142940 /nfs/dbraw/zinc/14/29/40/960142940.db2.gz GVYYINIHLPQBKF-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C[NH2+]Cc3ccc(C#N)cc3)[C@H](C)C2)C1 ZINC001094234034 960142941 /nfs/dbraw/zinc/14/29/41/960142941.db2.gz GVYYINIHLPQBKF-AHRSYUTCSA-N 2 1 370.497 1.463 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCCO1 ZINC000775791339 972484055 /nfs/dbraw/zinc/48/40/55/972484055.db2.gz LUZHOFUODQFYSP-UXHICEINSA-N 2 1 370.497 1.537 20 30 FDEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189471276 966983148 /nfs/dbraw/zinc/98/31/48/966983148.db2.gz QMRIWMIUSBZRJK-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CC[NH+](CC)CC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189471276 966983152 /nfs/dbraw/zinc/98/31/52/966983152.db2.gz QMRIWMIUSBZRJK-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)C#CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000852872053 967678748 /nfs/dbraw/zinc/67/87/48/967678748.db2.gz AIJOJQSHOUMECL-OAQYLSRUSA-N 2 1 368.525 1.484 20 30 FDEDMP CN1CC[N@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000852872053 967678752 /nfs/dbraw/zinc/67/87/52/967678752.db2.gz AIJOJQSHOUMECL-OAQYLSRUSA-N 2 1 368.525 1.484 20 30 FDEDMP CN1CC[N@@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000852872053 967678757 /nfs/dbraw/zinc/67/87/57/967678757.db2.gz AIJOJQSHOUMECL-OAQYLSRUSA-N 2 1 368.525 1.484 20 30 FDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198775129 973507674 /nfs/dbraw/zinc/50/76/74/973507674.db2.gz FLTCWTBFFALBMO-HHXXYDBFSA-N 2 1 359.470 1.185 20 30 FDEDMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198775129 973507685 /nfs/dbraw/zinc/50/76/85/973507685.db2.gz FLTCWTBFFALBMO-HHXXYDBFSA-N 2 1 359.470 1.185 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)cc1 ZINC001199370239 974221708 /nfs/dbraw/zinc/22/17/08/974221708.db2.gz QLVXNWVHIMVNPK-WOJBJXKFSA-N 2 1 370.497 1.486 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)cc1 ZINC001199370239 974221713 /nfs/dbraw/zinc/22/17/13/974221713.db2.gz QLVXNWVHIMVNPK-WOJBJXKFSA-N 2 1 370.497 1.486 20 30 FDEDMP CC(C)[N@@H+](C)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849087069 977308058 /nfs/dbraw/zinc/30/80/58/977308058.db2.gz UIJVDBVNPHVTBL-HNNXBMFYSA-N 2 1 353.511 1.597 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000884261603 983036290 /nfs/dbraw/zinc/03/62/90/983036290.db2.gz PJSCKOOYOHUVKK-PMACEKPBSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000884261603 983036299 /nfs/dbraw/zinc/03/62/99/983036299.db2.gz PJSCKOOYOHUVKK-PMACEKPBSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000884261603 983036307 /nfs/dbraw/zinc/03/63/07/983036307.db2.gz PJSCKOOYOHUVKK-PMACEKPBSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000884261603 983036315 /nfs/dbraw/zinc/03/63/15/983036315.db2.gz PJSCKOOYOHUVKK-PMACEKPBSA-N 2 1 370.497 1.150 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884314378 983076303 /nfs/dbraw/zinc/07/63/03/983076303.db2.gz HSRMXCDFSXOEBM-WJXBRQKSSA-N 2 1 352.482 1.762 20 30 FDEDMP C=CCNC(=O)[C@H](C)[NH+](C)[C@H]1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCC=C)CC1 ZINC000886394038 986148183 /nfs/dbraw/zinc/14/81/83/986148183.db2.gz NLXCOSDMZFUWPP-XSLAGTTESA-N 2 1 364.534 1.543 20 30 FDEDMP C#Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000364735848 989750674 /nfs/dbraw/zinc/75/06/74/989750674.db2.gz GJOXGRRCTZYAES-IBGZPJMESA-N 2 1 368.481 1.233 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000370569628 989848276 /nfs/dbraw/zinc/84/82/76/989848276.db2.gz PHTJSUYHTZLMOQ-OALUTQOASA-N 2 1 364.534 1.970 20 30 FDEDMP N#Cc1cc(C[NH+]2C[C@H]3C[C@@]3(CO)C2)cc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000878482299 993978082 /nfs/dbraw/zinc/97/80/82/993978082.db2.gz ONINACRWSDAFPV-UJOPUZHASA-N 2 1 353.466 1.187 20 30 FDEDMP N#Cc1cc(C[NH+]2C[C@@H]3C[C@]3(CO)C2)cc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000878482299 993978086 /nfs/dbraw/zinc/97/80/86/993978086.db2.gz ONINACRWSDAFPV-UJOPUZHASA-N 2 1 353.466 1.187 20 30 FDEDMP N#Cc1cc(C[NH+]2C[C@@H]3C[C@]3(CO)C2)cc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000878482299 993978089 /nfs/dbraw/zinc/97/80/89/993978089.db2.gz ONINACRWSDAFPV-UJOPUZHASA-N 2 1 353.466 1.187 20 30 FDEDMP COCC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC1CC[NH+](C)CC1 ZINC000879123944 994556904 /nfs/dbraw/zinc/55/69/04/994556904.db2.gz NASCDZNUCUVEES-UHFFFAOYSA-N 2 1 364.534 1.961 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073538 997395168 /nfs/dbraw/zinc/39/51/68/997395168.db2.gz DVKTZIBTUVAQIP-SJLPKXTDSA-N 2 1 359.518 1.910 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073534 997395721 /nfs/dbraw/zinc/39/57/21/997395721.db2.gz DVKTZIBTUVAQIP-FUHWJXTLSA-N 2 1 359.518 1.910 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000890376662 998920756 /nfs/dbraw/zinc/92/07/56/998920756.db2.gz IUJJFQHGIDNPCF-QGZVFWFLSA-N 2 1 355.486 1.658 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000890376662 998920758 /nfs/dbraw/zinc/92/07/58/998920758.db2.gz IUJJFQHGIDNPCF-QGZVFWFLSA-N 2 1 355.486 1.658 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000270966475 999642100 /nfs/dbraw/zinc/64/21/00/999642100.db2.gz BNVKLTVSJNLMKP-UHFFFAOYSA-N 2 1 369.509 1.672 20 30 FDEDMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(OCC#N)cc1 ZINC001110976167 1002315061 /nfs/dbraw/zinc/31/50/61/1002315061.db2.gz DXQPAFKPMKXWJL-QRQLOZEOSA-N 2 1 356.470 1.762 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111022118 1004711239 /nfs/dbraw/zinc/71/12/39/1004711239.db2.gz KMIKZUOYJGEWGS-ISARSNTHSA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111022118 1004711244 /nfs/dbraw/zinc/71/12/44/1004711244.db2.gz KMIKZUOYJGEWGS-ISARSNTHSA-N 2 1 358.486 1.678 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnc(OC)c(C#N)c1 ZINC000932512342 1004995188 /nfs/dbraw/zinc/99/51/88/1004995188.db2.gz WOVFKYCNDNEYGH-KRWDZBQOSA-N 2 1 374.489 1.842 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](CC#N)C(F)(F)F ZINC000932916737 1005242660 /nfs/dbraw/zinc/24/26/60/1005242660.db2.gz VHZKNEYQFDTFSR-ZIAGYGMSSA-N 2 1 363.428 1.888 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[N@@H+]1C ZINC000959966779 1009222737 /nfs/dbraw/zinc/22/27/37/1009222737.db2.gz NGPYMBBMTQSEAK-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[N@H+]1C ZINC000959966779 1009222748 /nfs/dbraw/zinc/22/27/48/1009222748.db2.gz NGPYMBBMTQSEAK-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[NH+]1C ZINC000959966779 1009222760 /nfs/dbraw/zinc/22/27/60/1009222760.db2.gz NGPYMBBMTQSEAK-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)CC[NH+]1C ZINC000959966779 1009222769 /nfs/dbraw/zinc/22/27/69/1009222769.db2.gz NGPYMBBMTQSEAK-OCBLOMHFSA-N 2 1 370.472 1.974 20 30 FDEDMP CC[NH+](CC)Cc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000303868448 1009645007 /nfs/dbraw/zinc/64/50/07/1009645007.db2.gz AKYRPBISVSWEQF-UHFFFAOYSA-N 3 1 361.534 1.655 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(C)C ZINC000551217804 543253585 /nfs/dbraw/zinc/25/35/85/543253585.db2.gz WTHKBVNJIANZNF-KZNAEPCWSA-N 2 1 364.534 1.400 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000553669150 543677947 /nfs/dbraw/zinc/67/79/47/543677947.db2.gz LEQYDCNIQBROPR-KRWDZBQOSA-N 2 1 364.534 1.237 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000331379044 259190706 /nfs/dbraw/zinc/19/07/06/259190706.db2.gz FRDXQRRDIPJRNH-XLIONFOSSA-N 2 1 369.513 1.845 20 30 FDEDMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333682766 259369868 /nfs/dbraw/zinc/36/98/68/259369868.db2.gz OYTCHWNZVMHHCR-APWZRJJASA-N 2 1 355.486 1.774 20 30 FDEDMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333682769 259369889 /nfs/dbraw/zinc/36/98/89/259369889.db2.gz OYTCHWNZVMHHCR-LPHOPBHVSA-N 2 1 355.486 1.774 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000119560703 525787863 /nfs/dbraw/zinc/78/78/63/525787863.db2.gz KLPVFQXYEKCUTP-LJQANCHMSA-N 2 1 368.525 1.659 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131247258 525838775 /nfs/dbraw/zinc/83/87/75/525838775.db2.gz LOGCELBICPWJTD-DOTOQJQBSA-N 2 1 350.507 1.214 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)CC1 ZINC000171737705 526102979 /nfs/dbraw/zinc/10/29/79/526102979.db2.gz VMOPQDAMJFDUJS-INIZCTEOSA-N 2 1 350.507 1.532 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000171764709 526113227 /nfs/dbraw/zinc/11/32/27/526113227.db2.gz YNMFYDIDQOEGBY-LJQANCHMSA-N 2 1 363.550 1.448 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000188565843 536903959 /nfs/dbraw/zinc/90/39/59/536903959.db2.gz CMNJCLHRDKPIPX-MRXNPFEDSA-N 2 1 352.523 1.514 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266612786 536909847 /nfs/dbraw/zinc/90/98/47/536909847.db2.gz INCBSRRBPDGNIT-FUHWJXTLSA-N 2 1 358.486 1.841 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)s1 ZINC000279925173 537359375 /nfs/dbraw/zinc/35/93/75/537359375.db2.gz FPJITKMGWQSUBY-GFCCVEGCSA-N 2 1 358.533 1.430 20 30 FDEDMP C(#CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745571 538694396 /nfs/dbraw/zinc/69/43/96/538694396.db2.gz BXBLYDXSYNBQPO-ZRNYENFQSA-N 2 1 356.510 1.992 20 30 FDEDMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000567700812 548218833 /nfs/dbraw/zinc/21/88/33/548218833.db2.gz RRGFENCKKXBYGN-GOSISDBHSA-N 2 1 360.502 1.108 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574324583 550296026 /nfs/dbraw/zinc/29/60/26/550296026.db2.gz RYUJXSLKWVMXNQ-MAUKXSAKSA-N 2 1 356.474 1.828 20 30 FDEDMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@@H](C)C1 ZINC000574324583 550296029 /nfs/dbraw/zinc/29/60/29/550296029.db2.gz RYUJXSLKWVMXNQ-MAUKXSAKSA-N 2 1 356.474 1.828 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000578215293 550740169 /nfs/dbraw/zinc/74/01/69/550740169.db2.gz VAZPQYAQGNVBPT-QGZVFWFLSA-N 2 1 364.534 1.380 20 30 FDEDMP CC[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000103893780 671593319 /nfs/dbraw/zinc/59/33/19/671593319.db2.gz GYOGWTZAQVXDBA-INIZCTEOSA-N 2 1 351.539 1.627 20 30 FDEDMP CC[NH+]=C(NC[C@H]1CCC[N@H+](C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158614561 671981336 /nfs/dbraw/zinc/98/13/36/671981336.db2.gz ILEJSQMYWYDIQA-MRXNPFEDSA-N 2 1 372.579 1.581 20 30 FDEDMP C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261616555 672636432 /nfs/dbraw/zinc/63/64/32/672636432.db2.gz AVCZUSMOPFVIFN-AOIWGVFYSA-N 2 1 352.523 1.157 20 30 FDEDMP CC[NH+]=C(NCC1CCSCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261784542 672672059 /nfs/dbraw/zinc/67/20/59/672672059.db2.gz QIBNCNIAEASVIR-QGZVFWFLSA-N 2 1 354.564 1.749 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261995933 672708368 /nfs/dbraw/zinc/70/83/68/672708368.db2.gz SIIDIIUIRRTLTP-XYJFISCASA-N 2 1 364.563 1.779 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCCO1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262379419 672779771 /nfs/dbraw/zinc/77/97/71/672779771.db2.gz KDUHLUVERMMOBN-KRWDZBQOSA-N 2 1 351.539 1.281 20 30 FDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=[NH2+])N1CCN(c2ccc(Cl)cc2)CC1 ZINC000262515951 672802030 /nfs/dbraw/zinc/80/20/30/672802030.db2.gz GFSUUMYELYQCRK-KRWDZBQOSA-N 2 1 364.925 1.023 20 30 FDEDMP C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262762000 672843762 /nfs/dbraw/zinc/84/37/62/672843762.db2.gz GFIOZQYYGXMJEU-MMNRESRNSA-N 2 1 353.580 1.604 20 30 FDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262762000 672843768 /nfs/dbraw/zinc/84/37/68/672843768.db2.gz GFIOZQYYGXMJEU-MMNRESRNSA-N 3 1 353.580 1.604 20 30 FDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262762000 672843773 /nfs/dbraw/zinc/84/37/73/672843773.db2.gz GFIOZQYYGXMJEU-MMNRESRNSA-N 3 1 353.580 1.604 20 30 FDEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])NCCc2cccs2)CC1 ZINC000303894664 676543765 /nfs/dbraw/zinc/54/37/65/676543765.db2.gz SQXIVGDWVJBCQC-UHFFFAOYSA-N 2 1 358.515 1.542 20 30 FDEDMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303907858 676544005 /nfs/dbraw/zinc/54/40/05/676544005.db2.gz XEBZWGDOMXZHND-OAHLLOKOSA-N 2 1 353.511 1.728 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1c(F)cccc1F)N(C)C ZINC000304749672 676544418 /nfs/dbraw/zinc/54/44/18/676544418.db2.gz HWZUJSIFOAXDON-CZUORRHYSA-N 2 1 353.461 1.956 20 30 FDEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C)C1 ZINC000329411146 676637585 /nfs/dbraw/zinc/63/75/85/676637585.db2.gz BSVDTUCHFTUJQR-SJORKVTESA-N 2 1 354.539 1.942 20 30 FDEDMP C=CCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001112481488 771915876 /nfs/dbraw/zinc/91/58/76/771915876.db2.gz OMXOTNCIIUEYPA-KBGGIIEESA-N 2 1 359.514 1.644 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cscn2)C1 ZINC001104306169 774436093 /nfs/dbraw/zinc/43/60/93/774436093.db2.gz OPAIWVBWPLZMKB-NUJGCVRESA-N 2 1 360.527 1.815 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cscn2)C1 ZINC001104306169 774436097 /nfs/dbraw/zinc/43/60/97/774436097.db2.gz OPAIWVBWPLZMKB-NUJGCVRESA-N 2 1 360.527 1.815 20 30 FDEDMP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001087444008 809806967 /nfs/dbraw/zinc/80/69/67/809806967.db2.gz RLTKDVIYHDCZMZ-VAMGGRTRSA-N 2 1 357.498 1.867 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211732681 809824687 /nfs/dbraw/zinc/82/46/87/809824687.db2.gz UKQUGKBXAYLNTN-VQTJNVASSA-N 2 1 357.498 1.561 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122648 810161194 /nfs/dbraw/zinc/16/11/94/810161194.db2.gz ZFNKIFQCBVVDSK-KFWWJZLASA-N 2 1 361.408 1.099 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122648 810161197 /nfs/dbraw/zinc/16/11/97/810161197.db2.gz ZFNKIFQCBVVDSK-KFWWJZLASA-N 2 1 361.408 1.099 20 30 FDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000178804897 810577779 /nfs/dbraw/zinc/57/77/79/810577779.db2.gz LOUDDKVOKHEDRV-XDNAFOTISA-N 2 1 364.534 1.466 20 30 FDEDMP C[NH+]=C(NC[C@H]1CCOc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261856756 811332366 /nfs/dbraw/zinc/33/23/66/811332366.db2.gz XYHLAMUJLDGTBL-ZWKOTPCHSA-N 2 1 372.513 1.782 20 30 FDEDMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000261993118 811362581 /nfs/dbraw/zinc/36/25/81/811362581.db2.gz MYABLKLGPPUNMN-INIZCTEOSA-N 2 1 359.522 1.424 20 30 FDEDMP C[NH+]=C(NCCc1nnc2n1CCCCC2)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261798478 811646771 /nfs/dbraw/zinc/64/67/71/811646771.db2.gz RFHQGDFARJLMSC-GDBMZVCRSA-N 2 1 359.522 1.195 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087476249 818372544 /nfs/dbraw/zinc/37/25/44/818372544.db2.gz BHYNORJAFQPEAM-PMACEKPBSA-N 2 1 367.493 1.698 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001087476249 818372554 /nfs/dbraw/zinc/37/25/54/818372554.db2.gz BHYNORJAFQPEAM-PMACEKPBSA-N 2 1 367.493 1.698 20 30 FDEDMP N#Cc1cccc(C[N@@H+]2C[C@@H]3CCN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)c1 ZINC001075799551 820468988 /nfs/dbraw/zinc/46/89/88/820468988.db2.gz FXHMVLFQAGWFPT-PCCBWWKXSA-N 2 1 364.493 1.933 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969507 824260353 /nfs/dbraw/zinc/26/03/53/824260353.db2.gz ZFOCUILULQRAIR-WCIQWLHISA-N 2 1 359.514 1.147 20 30 FDEDMP CCn1cc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](C)[C@H](C)C3)CC2)cn1 ZINC000329809671 825470202 /nfs/dbraw/zinc/47/02/02/825470202.db2.gz QGIREPLZEJSVOU-SJLPKXTDSA-N 2 1 362.522 1.807 20 30 FDEDMP CCn1cc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[NH+](C)[C@H](C)C3)CC2)cn1 ZINC000329809671 825470206 /nfs/dbraw/zinc/47/02/06/825470206.db2.gz QGIREPLZEJSVOU-SJLPKXTDSA-N 2 1 362.522 1.807 20 30 FDEDMP CCn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cn1 ZINC000329809671 825470212 /nfs/dbraw/zinc/47/02/12/825470212.db2.gz QGIREPLZEJSVOU-SJLPKXTDSA-N 2 1 362.522 1.807 20 30 FDEDMP CCn1cc(C[NH+]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cn1 ZINC000329809671 825470217 /nfs/dbraw/zinc/47/02/17/825470217.db2.gz QGIREPLZEJSVOU-SJLPKXTDSA-N 2 1 362.522 1.807 20 30 FDEDMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330310793 825892513 /nfs/dbraw/zinc/89/25/13/825892513.db2.gz NNFRAOCZLYTAQX-BHIYHBOVSA-N 2 1 366.550 1.988 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199377 827430156 /nfs/dbraw/zinc/43/01/56/827430156.db2.gz LRYYEFDCVFMJPQ-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199377 827430157 /nfs/dbraw/zinc/43/01/57/827430157.db2.gz LRYYEFDCVFMJPQ-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199377 827430158 /nfs/dbraw/zinc/43/01/58/827430158.db2.gz LRYYEFDCVFMJPQ-AOIWGVFYSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cccnc4)CC[C@@H]3C2)CC1 ZINC001088211869 827493012 /nfs/dbraw/zinc/49/30/12/827493012.db2.gz DHCPXRVNFVCJSD-RTWAWAEBSA-N 2 1 366.509 1.707 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528375892 829369769 /nfs/dbraw/zinc/36/97/69/829369769.db2.gz DOPFPVUWHKTDBG-MOPGFXCFSA-N 2 1 358.486 1.010 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)COc1ccccc1C#N ZINC000528427441 829399669 /nfs/dbraw/zinc/39/96/69/829399669.db2.gz YXEYJACGXIBBRH-MLYOOKFZSA-N 2 1 359.470 1.481 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)COc1ccccc1C#N ZINC000528427441 829399679 /nfs/dbraw/zinc/39/96/79/829399679.db2.gz YXEYJACGXIBBRH-MLYOOKFZSA-N 2 1 359.470 1.481 20 30 FDEDMP C=CCc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(OC)c1O ZINC000262082558 837419747 /nfs/dbraw/zinc/41/97/47/837419747.db2.gz TXUPCKSCDHZHEX-QGZVFWFLSA-N 2 1 361.486 1.949 20 30 FDEDMP CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262774011 831378388 /nfs/dbraw/zinc/37/83/88/831378388.db2.gz JLSURDWTBAWUTD-BJLQDIEVSA-N 2 1 366.550 1.547 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1cccc(C#N)c1 ZINC001088571789 834849834 /nfs/dbraw/zinc/84/98/34/834849834.db2.gz NNYSPQJLLWBOAU-YSGRDPCXSA-N 2 1 352.482 1.979 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001105668965 844111234 /nfs/dbraw/zinc/11/12/34/844111234.db2.gz NMMZWEZXFOSEBS-HNBVOPMISA-N 2 1 360.502 1.734 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105668968 844111924 /nfs/dbraw/zinc/11/19/24/844111924.db2.gz NMMZWEZXFOSEBS-IZBJGVDFSA-N 2 1 360.502 1.734 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105676278 845885831 /nfs/dbraw/zinc/88/58/31/845885831.db2.gz VDQGICHYKAISMG-HNBVOPMISA-N 2 1 351.535 1.869 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)cc1 ZINC001083560008 849564250 /nfs/dbraw/zinc/56/42/50/849564250.db2.gz MFPXYLQOLLQICA-MOPGFXCFSA-N 2 1 368.481 1.096 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)[C@@H](O)C2)cc1 ZINC001083560008 849564255 /nfs/dbraw/zinc/56/42/55/849564255.db2.gz MFPXYLQOLLQICA-MOPGFXCFSA-N 2 1 368.481 1.096 20 30 FDEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212486741 872139344 /nfs/dbraw/zinc/13/93/44/872139344.db2.gz AZLVIPJFJOTCMO-QZTJIDSGSA-N 2 1 358.486 1.604 20 30 FDEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212486741 872139348 /nfs/dbraw/zinc/13/93/48/872139348.db2.gz AZLVIPJFJOTCMO-QZTJIDSGSA-N 2 1 358.486 1.604 20 30 FDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212486741 872139351 /nfs/dbraw/zinc/13/93/51/872139351.db2.gz AZLVIPJFJOTCMO-QZTJIDSGSA-N 2 1 358.486 1.604 20 30 FDEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1OC ZINC001212486741 872139357 /nfs/dbraw/zinc/13/93/57/872139357.db2.gz AZLVIPJFJOTCMO-QZTJIDSGSA-N 2 1 358.486 1.604 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106672257 876513834 /nfs/dbraw/zinc/51/38/34/876513834.db2.gz MYHMKRBWWMAKQC-BRWVUGGUSA-N 2 1 364.534 1.093 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626541 878844447 /nfs/dbraw/zinc/84/44/47/878844447.db2.gz BWCXIIUKGIBIMS-XSYGEPLQSA-N 2 1 364.534 1.111 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@@]2(C[NH+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626541 878844458 /nfs/dbraw/zinc/84/44/58/878844458.db2.gz BWCXIIUKGIBIMS-XSYGEPLQSA-N 2 1 364.534 1.111 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@@]2(C[NH+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922626541 878844468 /nfs/dbraw/zinc/84/44/68/878844468.db2.gz BWCXIIUKGIBIMS-XSYGEPLQSA-N 2 1 364.534 1.111 20 30 FDEDMP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077553258 886379751 /nfs/dbraw/zinc/37/97/51/886379751.db2.gz IGOAWNFDPPSYOL-VAMGGRTRSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077553258 886379755 /nfs/dbraw/zinc/37/97/55/886379755.db2.gz IGOAWNFDPPSYOL-VAMGGRTRSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077553258 886379776 /nfs/dbraw/zinc/37/97/76/886379776.db2.gz IGOAWNFDPPSYOL-VAMGGRTRSA-N 2 1 370.497 1.342 20 30 FDEDMP CCC[NH+]1CCC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)C1 ZINC001077553258 886379788 /nfs/dbraw/zinc/37/97/88/886379788.db2.gz IGOAWNFDPPSYOL-VAMGGRTRSA-N 2 1 370.497 1.342 20 30 FDEDMP C[N@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000900044668 886842868 /nfs/dbraw/zinc/84/28/68/886842868.db2.gz FPGWAUPLGHEACB-AZUAARDMSA-N 2 1 356.470 1.048 20 30 FDEDMP C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCCO[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923377640 889048977 /nfs/dbraw/zinc/04/89/77/889048977.db2.gz ADSHYWNRYLVXSN-SJORKVTESA-N 2 1 350.459 1.213 20 30 FDEDMP C=CCc1ccc(OC[C@H](O)C[N@H+]2CCCO[C@@H](C[NH3+])C2)c(OC)c1 ZINC000923377640 889048992 /nfs/dbraw/zinc/04/89/92/889048992.db2.gz ADSHYWNRYLVXSN-SJORKVTESA-N 2 1 350.459 1.213 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000923556442 889812708 /nfs/dbraw/zinc/81/27/08/889812708.db2.gz XCJMLQYTYGCDSN-ZCNNSNEGSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000923556442 889812718 /nfs/dbraw/zinc/81/27/18/889812718.db2.gz XCJMLQYTYGCDSN-ZCNNSNEGSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000923556442 889812724 /nfs/dbraw/zinc/81/27/24/889812724.db2.gz XCJMLQYTYGCDSN-ZCNNSNEGSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C(C)C)C[C@H]2c2cnn(C)c2)C1 ZINC000923556442 889812731 /nfs/dbraw/zinc/81/27/31/889812731.db2.gz XCJMLQYTYGCDSN-ZCNNSNEGSA-N 2 1 371.529 1.448 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212453191 893477446 /nfs/dbraw/zinc/47/74/46/893477446.db2.gz PNTAOXLRBIHZOU-BRSBDYLESA-N 2 1 355.523 1.491 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212453191 893477457 /nfs/dbraw/zinc/47/74/57/893477457.db2.gz PNTAOXLRBIHZOU-BRSBDYLESA-N 2 1 355.523 1.491 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212453191 893477463 /nfs/dbraw/zinc/47/74/63/893477463.db2.gz PNTAOXLRBIHZOU-BRSBDYLESA-N 2 1 355.523 1.491 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](OC)C1 ZINC001212453191 893477476 /nfs/dbraw/zinc/47/74/76/893477476.db2.gz PNTAOXLRBIHZOU-BRSBDYLESA-N 2 1 355.523 1.491 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212428365 896910798 /nfs/dbraw/zinc/91/07/98/896910798.db2.gz YGBJZNHCTDXGHG-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001212428365 896910802 /nfs/dbraw/zinc/91/08/02/896910802.db2.gz YGBJZNHCTDXGHG-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001212428365 896910805 /nfs/dbraw/zinc/91/08/05/896910805.db2.gz YGBJZNHCTDXGHG-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CO[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001212428365 896910820 /nfs/dbraw/zinc/91/08/20/896910820.db2.gz YGBJZNHCTDXGHG-XUVXKRRUSA-N 2 1 370.497 1.748 20 30 FDEDMP CC#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107555 896967374 /nfs/dbraw/zinc/96/73/74/896967374.db2.gz UHTVXZHQVJOUOS-NZSAHSFTSA-N 2 1 369.513 1.230 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146410 901965306 /nfs/dbraw/zinc/96/53/06/901965306.db2.gz KXLLFTKPUAGLDD-WOJBJXKFSA-N 2 1 367.493 1.179 20 30 FDEDMP C=CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079246280 902258096 /nfs/dbraw/zinc/25/80/96/902258096.db2.gz ZPGLUFSHAMDSHY-GBESFXJTSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CN(C(=O)C[NH+]3CCCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273844 902313692 /nfs/dbraw/zinc/31/36/92/902313692.db2.gz SNCNQGSJANRVHJ-DLBZAZTESA-N 2 1 367.921 1.774 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)[C@@]34CC[N@@H+](C3)CCC4)[C@@H]3COC[C@@H]32)CC1 ZINC001079271113 902332662 /nfs/dbraw/zinc/33/26/62/902332662.db2.gz HFOSAHNPZUGTDI-JQVVWYNYSA-N 2 1 371.525 1.435 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC#CCOC)CC2 ZINC001107439743 904923267 /nfs/dbraw/zinc/92/32/67/904923267.db2.gz QDTJSERAKHTBTE-QKNQBKEWSA-N 2 1 357.498 1.095 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC#CCOC)CC2 ZINC001107439743 904923269 /nfs/dbraw/zinc/92/32/69/904923269.db2.gz QDTJSERAKHTBTE-QKNQBKEWSA-N 2 1 357.498 1.095 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107439743 904923272 /nfs/dbraw/zinc/92/32/72/904923272.db2.gz QDTJSERAKHTBTE-QKNQBKEWSA-N 2 1 357.498 1.095 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC#CCOC)CC2 ZINC001107439743 904923282 /nfs/dbraw/zinc/92/32/82/904923282.db2.gz QDTJSERAKHTBTE-QKNQBKEWSA-N 2 1 357.498 1.095 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080377344 905282788 /nfs/dbraw/zinc/28/27/88/905282788.db2.gz MFUDDAFVIWSXHG-DNVCBOLYSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001080377344 905282802 /nfs/dbraw/zinc/28/28/02/905282802.db2.gz MFUDDAFVIWSXHG-DNVCBOLYSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000996775093 905312694 /nfs/dbraw/zinc/31/26/94/905312694.db2.gz DELIPUDMANAPNJ-YNIZLOQISA-N 2 1 360.546 1.395 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3OC)C[C@H]2C)CC1 ZINC001080997389 906969819 /nfs/dbraw/zinc/96/98/19/906969819.db2.gz BGWGBHJSKMVVQO-VQIMIIECSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3OC)C[C@H]2C)CC1 ZINC001080997389 906969824 /nfs/dbraw/zinc/96/98/24/906969824.db2.gz BGWGBHJSKMVVQO-VQIMIIECSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2C)CC1 ZINC001080997790 906972234 /nfs/dbraw/zinc/97/22/34/906972234.db2.gz KPZGWQUAJSJCLU-YLJYHZDGSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082568027 908707387 /nfs/dbraw/zinc/70/73/87/908707387.db2.gz SVHZBEZGEFGSRJ-AHRSYUTCSA-N 2 1 350.466 1.592 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC001082568027 908707399 /nfs/dbraw/zinc/70/73/99/908707399.db2.gz SVHZBEZGEFGSRJ-AHRSYUTCSA-N 2 1 350.466 1.592 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084943346 918610729 /nfs/dbraw/zinc/61/07/29/918610729.db2.gz VUEWHTFFQVYUJQ-LMCOJAPRSA-N 2 1 359.514 1.289 20 30 FDEDMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326246 925900657 /nfs/dbraw/zinc/90/06/57/925900657.db2.gz DITFNJSCYIEIMR-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326246 925900660 /nfs/dbraw/zinc/90/06/60/925900660.db2.gz DITFNJSCYIEIMR-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326246 925900661 /nfs/dbraw/zinc/90/06/61/925900661.db2.gz DITFNJSCYIEIMR-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000743491167 926378151 /nfs/dbraw/zinc/37/81/51/926378151.db2.gz ZHVYIXQEENOLHG-IBGZPJMESA-N 2 1 354.498 1.898 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)CC1 ZINC000743491171 926378621 /nfs/dbraw/zinc/37/86/21/926378621.db2.gz ZHVYIXQEENOLHG-LJQANCHMSA-N 2 1 354.498 1.898 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565335 929788367 /nfs/dbraw/zinc/78/83/67/929788367.db2.gz LFOPRRLQBIYKMV-BDXSIMOUSA-N 2 1 374.529 1.110 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565335 929788370 /nfs/dbraw/zinc/78/83/70/929788370.db2.gz LFOPRRLQBIYKMV-BDXSIMOUSA-N 2 1 374.529 1.110 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129397535 938403173 /nfs/dbraw/zinc/40/31/73/938403173.db2.gz UWGQJQUOPHUOAF-KSZLIROESA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)[C@@H](n2ccnn2)C1 ZINC001129459930 938435720 /nfs/dbraw/zinc/43/57/20/938435720.db2.gz CIBVLKYWYGAZTN-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001129459930 938435721 /nfs/dbraw/zinc/43/57/21/938435721.db2.gz CIBVLKYWYGAZTN-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@@H](n2ccnn2)C1 ZINC001129459930 938435722 /nfs/dbraw/zinc/43/57/22/938435722.db2.gz CIBVLKYWYGAZTN-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129838071 938535163 /nfs/dbraw/zinc/53/51/63/938535163.db2.gz QEXWFDSZRLHQMR-KURKYZTESA-N 2 1 360.506 1.459 20 30 FDEDMP CCCCCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107163 938687225 /nfs/dbraw/zinc/68/72/25/938687225.db2.gz GRDZOIMTVGNMJV-MSOLQXFVSA-N 2 1 364.538 1.932 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687479 939977064 /nfs/dbraw/zinc/97/70/64/939977064.db2.gz BPCGSSPMJPNVDA-FUHWJXTLSA-N 2 1 370.501 1.900 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000822935313 945318019 /nfs/dbraw/zinc/31/80/19/945318019.db2.gz PMJJBZBYQHDBJZ-FLIBITNWSA-N 2 1 355.482 1.808 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1c1cncn1C ZINC001131054299 940480978 /nfs/dbraw/zinc/48/09/78/940480978.db2.gz YLKJKAFYNSFBPX-WNRNVDISSA-N 2 1 359.518 1.611 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131128247 940509939 /nfs/dbraw/zinc/50/99/39/940509939.db2.gz ZIMVTBAVCKPXBX-HUUCEWRRSA-N 2 1 353.898 1.397 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131128247 940509941 /nfs/dbraw/zinc/50/99/41/940509941.db2.gz ZIMVTBAVCKPXBX-HUUCEWRRSA-N 2 1 353.898 1.397 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001086664898 940552107 /nfs/dbraw/zinc/55/21/07/940552107.db2.gz ICRBZASCZQUUCL-KFKAGJAMSA-N 2 1 356.470 1.263 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001086664898 940552108 /nfs/dbraw/zinc/55/21/08/940552108.db2.gz ICRBZASCZQUUCL-KFKAGJAMSA-N 2 1 356.470 1.263 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001131500027 940650844 /nfs/dbraw/zinc/65/08/44/940650844.db2.gz FVLKMGXCUZYLQM-NMLBUPMWSA-N 2 1 361.530 1.726 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 ZINC000818599434 943327928 /nfs/dbraw/zinc/32/79/28/943327928.db2.gz QQBTXQJUDULWSQ-UHFFFAOYSA-N 2 1 360.477 1.653 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000818599434 943327929 /nfs/dbraw/zinc/32/79/29/943327929.db2.gz QQBTXQJUDULWSQ-UHFFFAOYSA-N 2 1 360.477 1.653 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(N2CC[NH+](CC)CC2)c(F)c1 ZINC000818599434 943327930 /nfs/dbraw/zinc/32/79/30/943327930.db2.gz QQBTXQJUDULWSQ-UHFFFAOYSA-N 2 1 360.477 1.653 20 30 FDEDMP N#CCc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000819060833 943399995 /nfs/dbraw/zinc/39/99/95/943399995.db2.gz IOORQHIHVDZRES-PZJWPPBQSA-N 2 1 373.497 1.725 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856584981 971235521 /nfs/dbraw/zinc/23/55/21/971235521.db2.gz WIWXOCJIGMJEPC-RBUKOAKNSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856584981 971235525 /nfs/dbraw/zinc/23/55/25/971235525.db2.gz WIWXOCJIGMJEPC-RBUKOAKNSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584981 971235532 /nfs/dbraw/zinc/23/55/32/971235532.db2.gz WIWXOCJIGMJEPC-RBUKOAKNSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584981 971235538 /nfs/dbraw/zinc/23/55/38/971235538.db2.gz WIWXOCJIGMJEPC-RBUKOAKNSA-N 2 1 358.486 1.773 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880911 947596459 /nfs/dbraw/zinc/59/64/59/947596459.db2.gz QAJBHTRRLXFHTC-FFZOFVMBSA-N 2 1 355.482 1.697 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOC3CCC3)C[C@@]2(C)C1 ZINC001091749137 952788374 /nfs/dbraw/zinc/78/83/74/952788374.db2.gz ATOZUIOUBIYCNV-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOC3CCC3)C[C@@]2(C)C1 ZINC001091749137 952788379 /nfs/dbraw/zinc/78/83/79/952788379.db2.gz ATOZUIOUBIYCNV-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOC3CCC3)C[C@@]2(C)C1 ZINC001091749137 952788384 /nfs/dbraw/zinc/78/83/84/952788384.db2.gz ATOZUIOUBIYCNV-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOC3CCC3)C[C@@]2(C)C1 ZINC001091749137 952788387 /nfs/dbraw/zinc/78/83/87/952788387.db2.gz ATOZUIOUBIYCNV-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086982462 952995408 /nfs/dbraw/zinc/99/54/08/952995408.db2.gz LEJRWOQNEFFPHG-CEXWTWQISA-N 2 1 357.502 1.200 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001086999410 953046478 /nfs/dbraw/zinc/04/64/78/953046478.db2.gz FGZBUPWAKWDAPP-ZWKOTPCHSA-N 2 1 370.501 1.900 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cnn(C)c1 ZINC001086994565 953065869 /nfs/dbraw/zinc/06/58/69/953065869.db2.gz IXMAGWHFOZYPTH-DLBZAZTESA-N 2 1 365.909 1.398 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001087035130 953144198 /nfs/dbraw/zinc/14/41/98/953144198.db2.gz NAYCBSHZQBNLGT-HSALFYBXSA-N 2 1 370.497 1.606 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320257 972193650 /nfs/dbraw/zinc/19/36/50/972193650.db2.gz VQLFETFKCHUWAG-QZTJIDSGSA-N 2 1 355.523 1.229 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093690282 958548537 /nfs/dbraw/zinc/54/85/37/958548537.db2.gz QRPQTQHYQGTZGG-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001093690282 958548545 /nfs/dbraw/zinc/54/85/45/958548545.db2.gz QRPQTQHYQGTZGG-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP COCCC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001172256442 961605140 /nfs/dbraw/zinc/60/51/40/961605140.db2.gz WQPNUARUGRYSTP-UHFFFAOYSA-N 2 1 357.502 1.966 20 30 FDEDMP COCCC[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)cn3)CC2)CC1 ZINC001172256442 961605148 /nfs/dbraw/zinc/60/51/48/961605148.db2.gz WQPNUARUGRYSTP-UHFFFAOYSA-N 2 1 357.502 1.966 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)CC[N@H+](C)CCC)[C@@H]3C2)C1=O ZINC001189913754 967376326 /nfs/dbraw/zinc/37/63/26/967376326.db2.gz ZQKGDADABBRVAO-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)CCC)[C@@H]3C2)C1=O ZINC001189913754 967376338 /nfs/dbraw/zinc/37/63/38/967376338.db2.gz ZQKGDADABBRVAO-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CC[NH+](C)CCC)[C@@H]3C2)C1=O ZINC001189913754 967376348 /nfs/dbraw/zinc/37/63/48/967376348.db2.gz ZQKGDADABBRVAO-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C#CC3CC[NH2+]CC3)c2)CCO1 ZINC000852862818 967668297 /nfs/dbraw/zinc/66/82/97/967668297.db2.gz KWHULKHBKGHLTK-KRWDZBQOSA-N 2 1 355.482 1.527 20 30 FDEDMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C#CC3CC[NH2+]CC3)c2)CCO1 ZINC000852862818 967668303 /nfs/dbraw/zinc/66/83/03/967668303.db2.gz KWHULKHBKGHLTK-KRWDZBQOSA-N 2 1 355.482 1.527 20 30 FDEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852872632 967678915 /nfs/dbraw/zinc/67/89/15/967678915.db2.gz JEJJAONAEISTBV-UHFFFAOYSA-N 3 1 374.573 1.644 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698627 973377104 /nfs/dbraw/zinc/37/71/04/973377104.db2.gz CHGQOKDDMOGBLH-KZNAEPCWSA-N 2 1 355.523 1.086 20 30 FDEDMP C#C[C@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(Cl)cc1F ZINC000849051202 977293405 /nfs/dbraw/zinc/29/34/05/977293405.db2.gz ASWVROHSFGQCKH-INIZCTEOSA-N 2 1 352.841 1.990 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849522198 977716645 /nfs/dbraw/zinc/71/66/45/977716645.db2.gz JWRHRHFZJIQNGE-MOPGFXCFSA-N 2 1 359.518 1.612 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332141488 983001515 /nfs/dbraw/zinc/00/15/15/983001515.db2.gz KRKUSILJWBLMRB-AEFFLSMTSA-N 2 1 362.518 1.086 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[N@H+]1Cc1ccccc1 ZINC000884228756 983003092 /nfs/dbraw/zinc/00/30/92/983003092.db2.gz YLMDXVUYQDVRTQ-FAIWXJIUSA-N 2 1 352.482 1.905 20 30 FDEDMP C[N@H+]1CCCN(c2ccc(NC(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)cc2)CC1 ZINC000884235006 983010784 /nfs/dbraw/zinc/01/07/84/983010784.db2.gz KJWFOTWXJWCXFL-BQIYRTECSA-N 2 1 367.497 1.906 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)CC1 ZINC000332497684 983064312 /nfs/dbraw/zinc/06/43/12/983064312.db2.gz ZISOMLMZXFTZKF-AEFFLSMTSA-N 2 1 362.518 1.228 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000332497684 983064318 /nfs/dbraw/zinc/06/43/18/983064318.db2.gz ZISOMLMZXFTZKF-AEFFLSMTSA-N 2 1 362.518 1.228 20 30 FDEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000884306599 983071123 /nfs/dbraw/zinc/07/11/23/983071123.db2.gz ISNWAJQVNMHKDY-XTBIFASLSA-N 2 1 352.482 1.859 20 30 FDEDMP N#Cc1cccnc1NCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000872200122 987510996 /nfs/dbraw/zinc/51/09/96/987510996.db2.gz VBZXSWSOCUBSKN-FQEVSTJZSA-N 2 1 351.454 1.592 20 30 FDEDMP N#Cc1cccnc1NCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000872200122 987511002 /nfs/dbraw/zinc/51/10/02/987511002.db2.gz VBZXSWSOCUBSKN-FQEVSTJZSA-N 2 1 351.454 1.592 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363297001 989069744 /nfs/dbraw/zinc/06/97/44/989069744.db2.gz IFHMUNGYHKCUNX-HXUWFJFHSA-N 2 1 372.513 1.971 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363297001 989069757 /nfs/dbraw/zinc/06/97/57/989069757.db2.gz IFHMUNGYHKCUNX-HXUWFJFHSA-N 2 1 372.513 1.971 20 30 FDEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000370611869 989897420 /nfs/dbraw/zinc/89/74/20/989897420.db2.gz FONPDNCRNDDCDX-HXUWFJFHSA-N 2 1 352.482 1.934 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000370611869 989897424 /nfs/dbraw/zinc/89/74/24/989897424.db2.gz FONPDNCRNDDCDX-HXUWFJFHSA-N 2 1 352.482 1.934 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000373224281 992030690 /nfs/dbraw/zinc/03/06/90/992030690.db2.gz RMFLZOKQEHFFMC-LEWJYISDSA-N 2 1 354.498 1.975 20 30 FDEDMP N#Cc1ccc(C[NH+]2CCC(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)cc1 ZINC000373224281 992030700 /nfs/dbraw/zinc/03/07/00/992030700.db2.gz RMFLZOKQEHFFMC-LEWJYISDSA-N 2 1 354.498 1.975 20 30 FDEDMP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876758782 992882233 /nfs/dbraw/zinc/88/22/33/992882233.db2.gz MRWFPLZVQDVAEJ-LJQANCHMSA-N 2 1 370.497 1.751 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000876780562 992906375 /nfs/dbraw/zinc/90/63/75/992906375.db2.gz HHMXZCSAYNFZAQ-GOSISDBHSA-N 2 1 364.921 1.910 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979323 992994387 /nfs/dbraw/zinc/99/43/87/992994387.db2.gz AZWLQJFVHGCURQ-YLJYHZDGSA-N 2 1 352.482 1.983 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000264073531 997395492 /nfs/dbraw/zinc/39/54/92/997395492.db2.gz DVKTZIBTUVAQIP-AEFFLSMTSA-N 2 1 359.518 1.910 20 30 FDEDMP C=C(CNC(=O)[C@@H]1CCC[NH+]1C(C)C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000826627957 998283021 /nfs/dbraw/zinc/28/30/21/998283021.db2.gz RBNKXEQQZRKVRC-ROUUACIJSA-N 2 1 364.534 1.521 20 30 FDEDMP CN1CCC[N@@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000104183211 998315569 /nfs/dbraw/zinc/31/55/69/998315569.db2.gz WWHQQJBJRPYSFI-UHFFFAOYSA-N 2 1 361.490 1.602 20 30 FDEDMP C[N@@H+]1CCCN(CCCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000104183211 998315575 /nfs/dbraw/zinc/31/55/75/998315575.db2.gz WWHQQJBJRPYSFI-UHFFFAOYSA-N 2 1 361.490 1.602 20 30 FDEDMP C[N@H+]1CCCN(CCCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000104183211 998315578 /nfs/dbraw/zinc/31/55/78/998315578.db2.gz WWHQQJBJRPYSFI-UHFFFAOYSA-N 2 1 361.490 1.602 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000283863464 999762852 /nfs/dbraw/zinc/76/28/52/999762852.db2.gz BSKORQYRFNOKNU-QGZVFWFLSA-N 2 1 374.485 1.299 20 30 FDEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000930137266 1002862963 /nfs/dbraw/zinc/86/29/63/1002862963.db2.gz QVURRWFAKWXBOS-NQIIRXRSSA-N 2 1 368.525 1.954 20 30 FDEDMP CC[NH+](CC)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)c1ccccc1 ZINC000303776915 1009575694 /nfs/dbraw/zinc/57/56/94/1009575694.db2.gz ICFGSOFONHVGFS-IBGZPJMESA-N 2 1 361.534 1.696 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000303875511 1009645875 /nfs/dbraw/zinc/64/58/75/1009645875.db2.gz DLPBTBXDZJPKDI-WOJBJXKFSA-N 2 1 373.545 1.757 20 30 FDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304496193 1010226196 /nfs/dbraw/zinc/22/61/96/1010226196.db2.gz NQBFDPNAOITJOR-IRXDYDNUSA-N 2 1 373.501 1.357 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)C(C)C ZINC000556205648 544117580 /nfs/dbraw/zinc/11/75/80/544117580.db2.gz GKSOMEBRZWGLJW-ZWKOTPCHSA-N 2 1 364.534 1.354 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000333467879 259350971 /nfs/dbraw/zinc/35/09/71/259350971.db2.gz AKRZYZWDYRAIAE-IBGZPJMESA-N 2 1 355.486 1.918 20 30 FDEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958284 523098482 /nfs/dbraw/zinc/09/84/82/523098482.db2.gz GESLWBQKXHWTCE-QFBILLFUSA-N 2 1 350.507 1.474 20 30 FDEDMP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1nc(-c2ccccc2)no1 ZINC000089595503 524513427 /nfs/dbraw/zinc/51/34/27/524513427.db2.gz AORDCHGXWFPBMC-HNNXBMFYSA-N 2 1 372.473 1.467 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000104178778 525397926 /nfs/dbraw/zinc/39/79/26/525397926.db2.gz GENSDDPMBPFTQE-UHFFFAOYSA-N 2 1 374.464 1.317 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000104181741 525398543 /nfs/dbraw/zinc/39/85/43/525398543.db2.gz YUCIXJSTFBSLNN-PMACEKPBSA-N 3 1 357.546 1.940 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000104181741 525398550 /nfs/dbraw/zinc/39/85/50/525398550.db2.gz YUCIXJSTFBSLNN-PMACEKPBSA-N 3 1 357.546 1.940 20 30 FDEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000104181741 525398560 /nfs/dbraw/zinc/39/85/60/525398560.db2.gz YUCIXJSTFBSLNN-PMACEKPBSA-N 3 1 357.546 1.940 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000106340698 525697014 /nfs/dbraw/zinc/69/70/14/525697014.db2.gz MJCLKAVALOIWSJ-QGZVFWFLSA-N 2 1 364.534 1.922 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(CS(C)(=O)=O)c1 ZINC000170912449 525767223 /nfs/dbraw/zinc/76/72/23/525767223.db2.gz IMKYAXOWBZZMBH-INIZCTEOSA-N 2 1 352.504 1.120 20 30 FDEDMP C[NH+]=C(NC[C@H]1CC[N@@H+](C)C1)N1CCN(c2cc(F)ccc2F)CC1 ZINC000156180806 526075677 /nfs/dbraw/zinc/07/56/77/526075677.db2.gz GDSHUXWTBWEFGT-CQSZACIVSA-N 2 1 351.445 1.614 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000171728030 526098309 /nfs/dbraw/zinc/09/83/09/526098309.db2.gz UOLWNLDIAWDGQD-UHFFFAOYSA-N 2 1 370.541 1.961 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182891031 535881881 /nfs/dbraw/zinc/88/18/81/535881881.db2.gz AJGSTNWDRHRHNU-MOPGFXCFSA-N 2 1 350.551 1.901 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182891031 535881888 /nfs/dbraw/zinc/88/18/88/535881888.db2.gz AJGSTNWDRHRHNU-MOPGFXCFSA-N 2 1 350.551 1.901 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000293420969 537450983 /nfs/dbraw/zinc/45/09/83/537450983.db2.gz PZVYERWRYHHNIF-UHFFFAOYSA-N 2 1 370.497 1.682 20 30 FDEDMP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330425659 537656764 /nfs/dbraw/zinc/65/67/64/537656764.db2.gz JHAFOTFTORWFOS-XHSDSOJGSA-N 2 1 368.522 1.635 20 30 FDEDMP CC(C)NC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330425659 537656770 /nfs/dbraw/zinc/65/67/70/537656770.db2.gz JHAFOTFTORWFOS-XHSDSOJGSA-N 2 1 368.522 1.635 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000296516063 537714867 /nfs/dbraw/zinc/71/48/67/537714867.db2.gz ZSODGULUKRAQCA-UHFFFAOYSA-N 2 1 371.529 1.188 20 30 FDEDMP CCN1CCC([N@@H+]2CCCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000565296990 547295242 /nfs/dbraw/zinc/29/52/42/547295242.db2.gz CHOVVUYRWNILRW-UHFFFAOYSA-N 2 1 369.513 1.989 20 30 FDEDMP CCN1CCC([N@H+]2CCCN(CC(=O)Nc3cccc(C#N)c3)CC2)CC1 ZINC000565296990 547295246 /nfs/dbraw/zinc/29/52/46/547295246.db2.gz CHOVVUYRWNILRW-UHFFFAOYSA-N 2 1 369.513 1.989 20 30 FDEDMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CNc4c(C#N)cnn4C3)CC2)C[C@H](C)O1 ZINC000568090196 548394033 /nfs/dbraw/zinc/39/40/33/548394033.db2.gz WYLRBRMFOYENGN-SOLBZPMBSA-N 2 1 372.517 1.618 20 30 FDEDMP C=CCOc1ccccc1C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577267922 550638280 /nfs/dbraw/zinc/63/82/80/550638280.db2.gz SPJZRCGHHXSMBP-MOPGFXCFSA-N 2 1 370.497 1.972 20 30 FDEDMP C=CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000577709232 550685461 /nfs/dbraw/zinc/68/54/61/550685461.db2.gz DNXZMUGMYGEHLQ-VQTJNVASSA-N 2 1 370.497 1.972 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000591359152 551865864 /nfs/dbraw/zinc/86/58/64/551865864.db2.gz QTDSBARWWUKFKH-IBGZPJMESA-N 2 1 355.486 1.775 20 30 FDEDMP CN1CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439718 552311229 /nfs/dbraw/zinc/31/12/29/552311229.db2.gz UNCOPWORDADFLJ-VQTJNVASSA-N 2 1 371.529 1.893 20 30 FDEDMP C[N@@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439718 552311230 /nfs/dbraw/zinc/31/12/30/552311230.db2.gz UNCOPWORDADFLJ-VQTJNVASSA-N 2 1 371.529 1.893 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000594439718 552311233 /nfs/dbraw/zinc/31/12/33/552311233.db2.gz UNCOPWORDADFLJ-VQTJNVASSA-N 2 1 371.529 1.893 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000594450033 552312887 /nfs/dbraw/zinc/31/28/87/552312887.db2.gz RHJHZIUFAPLOIP-GOSISDBHSA-N 2 1 357.502 1.507 20 30 FDEDMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595904527 552631404 /nfs/dbraw/zinc/63/14/04/552631404.db2.gz FDSKITWAAKOAIV-QUCCMNQESA-N 2 1 361.486 1.535 20 30 FDEDMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 ZINC000595904527 552631406 /nfs/dbraw/zinc/63/14/06/552631406.db2.gz FDSKITWAAKOAIV-QUCCMNQESA-N 2 1 361.486 1.535 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CCOCC2)[C@H](C)C1 ZINC000599373045 553039080 /nfs/dbraw/zinc/03/90/80/553039080.db2.gz RQVCCRPVEDJPEF-QYZOEREBSA-N 2 1 367.534 1.784 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccc(C#N)cn3)CC2)CC1 ZINC000602913073 553667476 /nfs/dbraw/zinc/66/74/76/553667476.db2.gz RVYVUWMVYTWPHR-UHFFFAOYSA-N 2 1 355.486 1.733 20 30 FDEDMP CN(CC(=O)NC1(C#N)CCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000615231868 555177026 /nfs/dbraw/zinc/17/70/26/555177026.db2.gz IVNIBDDYKDQKGF-FQEVSTJZSA-N 2 1 356.470 1.118 20 30 FDEDMP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083131049 671471931 /nfs/dbraw/zinc/47/19/31/671471931.db2.gz RCHKVHBBTRNORD-OWCLPIDISA-N 2 1 351.539 1.276 20 30 FDEDMP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083131049 671471932 /nfs/dbraw/zinc/47/19/32/671471932.db2.gz RCHKVHBBTRNORD-OWCLPIDISA-N 2 1 351.539 1.276 20 30 FDEDMP C[C@H](CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12)[N@@H+](C)C1CC1 ZINC000089120788 671491974 /nfs/dbraw/zinc/49/19/74/671491974.db2.gz VGGWQIWNUSIGIT-HIFRSBDPSA-N 2 1 351.495 1.350 20 30 FDEDMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=[NH2+])NCC2CCC2)CC1 ZINC000104175008 671594801 /nfs/dbraw/zinc/59/48/01/671594801.db2.gz OBROAJQPGNKJHB-UHFFFAOYSA-N 2 1 353.511 1.634 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1cc(OC)cc(OC)c1 ZINC000123578487 671727830 /nfs/dbraw/zinc/72/78/30/671727830.db2.gz MZRQLUYLLGFIPJ-CQSZACIVSA-N 2 1 350.463 1.471 20 30 FDEDMP C=CCNC(NC[C@H]1CCS(=O)(=O)C1)=[NH+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262442582 672790508 /nfs/dbraw/zinc/79/05/08/672790508.db2.gz UTUUOUFYBIPFBS-MGNMYUMUSA-N 2 1 368.547 1.158 20 30 FDEDMP CCN1CC[NH+](Cc2ccccc2CNC(=[NH2+])N2CCSCC2)CC1 ZINC000303882537 676543446 /nfs/dbraw/zinc/54/34/46/676543446.db2.gz IEAUAGGUEFJKET-UHFFFAOYSA-N 2 1 361.559 1.688 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C(C)C ZINC000304750310 676544352 /nfs/dbraw/zinc/54/43/52/676544352.db2.gz IGGBUDXKVVKEFI-HUUCEWRRSA-N 2 1 355.527 1.924 20 30 FDEDMP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1=CC[N@@H+](C)CC1 ZINC000329333705 676633616 /nfs/dbraw/zinc/63/36/16/676633616.db2.gz KKHDVYHATCTFFK-BMGDILEWSA-N 2 1 350.507 1.518 20 30 FDEDMP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330446541 676691189 /nfs/dbraw/zinc/69/11/89/676691189.db2.gz XUZYCBBKXVCALY-IXDOHACOSA-N 2 1 350.507 1.568 20 30 FDEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCO[C@@H]2CN(Cc3ccc(C#N)cc3)C[C@@H]21 ZINC001083193227 771089284 /nfs/dbraw/zinc/08/92/84/771089284.db2.gz HLYKJWRVIONFFI-FFZOFVMBSA-N 2 1 368.481 1.454 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC000971781684 779069409 /nfs/dbraw/zinc/06/94/09/779069409.db2.gz MARLYDWYCGPBCE-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH+](C)Cc3cccc(C#N)c3)C2)O1 ZINC000971781684 779069412 /nfs/dbraw/zinc/06/94/12/779069412.db2.gz MARLYDWYCGPBCE-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC000971781684 779069418 /nfs/dbraw/zinc/06/94/18/779069418.db2.gz MARLYDWYCGPBCE-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(C#N)c3)C2)O1 ZINC000971781684 779069424 /nfs/dbraw/zinc/06/94/24/779069424.db2.gz MARLYDWYCGPBCE-ATZDWAIDSA-N 2 1 356.470 1.310 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001022276936 779087620 /nfs/dbraw/zinc/08/76/20/779087620.db2.gz TWYKNNXGNRZNKP-GMLZMKKNSA-N 2 1 360.433 1.153 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(F)c(C#N)c3)C2)O1 ZINC001022276936 779087624 /nfs/dbraw/zinc/08/76/24/779087624.db2.gz TWYKNNXGNRZNKP-GMLZMKKNSA-N 2 1 360.433 1.153 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1ccccc1 ZINC001211633039 785104736 /nfs/dbraw/zinc/10/47/36/785104736.db2.gz PISVMIPNYJNQAJ-VQTJNVASSA-N 2 1 368.481 1.978 20 30 FDEDMP C[C@]1(CNC(=[NH2+])NCCCN2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000162456662 795346719 /nfs/dbraw/zinc/34/67/19/795346719.db2.gz UTTGRTNWEUPUTJ-OAQYLSRUSA-N 2 1 373.545 1.668 20 30 FDEDMP C[C@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000162456662 795346727 /nfs/dbraw/zinc/34/67/27/795346727.db2.gz UTTGRTNWEUPUTJ-OAQYLSRUSA-N 3 1 373.545 1.668 20 30 FDEDMP C[C@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000162456662 795346731 /nfs/dbraw/zinc/34/67/31/795346731.db2.gz UTTGRTNWEUPUTJ-OAQYLSRUSA-N 3 1 373.545 1.668 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cccc(C#N)c3)CC2)O1 ZINC001026514615 795487934 /nfs/dbraw/zinc/48/79/34/795487934.db2.gz LPHRTIUFTSJAEC-BTWUCOSQSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH2+]Cc3cccc(C#N)c3)CC2)O1 ZINC001026514615 795487938 /nfs/dbraw/zinc/48/79/38/795487938.db2.gz LPHRTIUFTSJAEC-BTWUCOSQSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(C#N)ccc3F)C2)CC[N@H+]1C ZINC001026853936 800031245 /nfs/dbraw/zinc/03/12/45/800031245.db2.gz WBAUQWPKDPDLER-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261738538 810555489 /nfs/dbraw/zinc/55/54/89/810555489.db2.gz MGLOKFRNOFEUFR-XDNAFOTISA-N 2 1 364.534 1.420 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001028549861 810619118 /nfs/dbraw/zinc/61/91/18/810619118.db2.gz BVYSJTHOBBAFOQ-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(F)c(C#N)c3)C2)CC[N@H+]1C ZINC001028549944 810619438 /nfs/dbraw/zinc/61/94/38/810619438.db2.gz CMUNLUUIZQKFJP-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001028550234 810620393 /nfs/dbraw/zinc/62/03/93/810620393.db2.gz LIJJZCNSKCJFDZ-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC001028550234 810620395 /nfs/dbraw/zinc/62/03/95/810620395.db2.gz LIJJZCNSKCJFDZ-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC001028550234 810620402 /nfs/dbraw/zinc/62/04/02/810620402.db2.gz LIJJZCNSKCJFDZ-YVWKXTFCSA-N 2 1 370.497 1.867 20 30 FDEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261761470 810743527 /nfs/dbraw/zinc/74/35/27/810743527.db2.gz OIBOWCXVEOFUGX-UHFFFAOYSA-N 2 1 362.428 1.867 20 30 FDEDMP C[NH+]=C(NCc1nncn1-c1ccccc1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261693030 811299153 /nfs/dbraw/zinc/29/91/53/811299153.db2.gz FIEOUEGAYIPJBK-PBHICJAKSA-N 2 1 353.474 1.415 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261933297 811346717 /nfs/dbraw/zinc/34/67/17/811346717.db2.gz BWBPBAXNIZFAAY-PBHICJAKSA-N 2 1 355.486 1.223 20 30 FDEDMP C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087476291 818373187 /nfs/dbraw/zinc/37/31/87/818373187.db2.gz DGBHQGDGKJZMCN-YYWHXJBOSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087476291 818373193 /nfs/dbraw/zinc/37/31/93/818373193.db2.gz DGBHQGDGKJZMCN-YYWHXJBOSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001087476291 818373199 /nfs/dbraw/zinc/37/31/99/818373199.db2.gz DGBHQGDGKJZMCN-YYWHXJBOSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001087476291 818373204 /nfs/dbraw/zinc/37/32/04/818373204.db2.gz DGBHQGDGKJZMCN-YYWHXJBOSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087476291 818373209 /nfs/dbraw/zinc/37/32/09/818373209.db2.gz DGBHQGDGKJZMCN-YYWHXJBOSA-N 2 1 369.509 1.944 20 30 FDEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H]1C ZINC000330823851 819644491 /nfs/dbraw/zinc/64/44/91/819644491.db2.gz DXCMMVZCMSHTFR-CABCVRRESA-N 2 1 366.481 1.688 20 30 FDEDMP C[NH+]=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1CCN(C(C)=O)CC1 ZINC000262163829 821255387 /nfs/dbraw/zinc/25/53/87/821255387.db2.gz BOYIQANWLZSAIA-QGZVFWFLSA-N 2 1 361.490 1.592 20 30 FDEDMP C[N@H+]1CC[C@]2(CCN(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)C2)C1 ZINC000330190568 825723166 /nfs/dbraw/zinc/72/31/66/825723166.db2.gz WGHHOORNEZHXIV-FQEVSTJZSA-N 2 1 357.502 1.988 20 30 FDEDMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330293909 825818574 /nfs/dbraw/zinc/81/85/74/825818574.db2.gz DYONKTGQMJMFFW-NCXUSEDFSA-N 2 1 364.534 1.837 20 30 FDEDMP CCC[N@H+]1CC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000305034519 830537933 /nfs/dbraw/zinc/53/79/33/830537933.db2.gz SCDMOQCZOKCORN-HZPDHXFCSA-N 2 1 365.522 1.599 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577857 835245808 /nfs/dbraw/zinc/24/58/08/835245808.db2.gz SHNXHESHMOWTKV-RGCFKVTRSA-N 2 1 370.497 1.986 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001088577857 835245821 /nfs/dbraw/zinc/24/58/21/835245821.db2.gz SHNXHESHMOWTKV-RGCFKVTRSA-N 2 1 370.497 1.986 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001088577857 835245828 /nfs/dbraw/zinc/24/58/28/835245828.db2.gz SHNXHESHMOWTKV-RGCFKVTRSA-N 2 1 370.497 1.986 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001088577857 835245835 /nfs/dbraw/zinc/24/58/35/835245835.db2.gz SHNXHESHMOWTKV-RGCFKVTRSA-N 2 1 370.497 1.986 20 30 FDEDMP CC[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261831894 837322966 /nfs/dbraw/zinc/32/29/66/837322966.db2.gz VOUHADSYNQTYLV-GDBMZVCRSA-N 2 1 359.522 1.542 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001076567943 848459645 /nfs/dbraw/zinc/45/96/45/848459645.db2.gz NRWYHJIVRZACIN-YQVWRLOYSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001076567943 848459650 /nfs/dbraw/zinc/45/96/50/848459650.db2.gz NRWYHJIVRZACIN-YQVWRLOYSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001076567943 848459656 /nfs/dbraw/zinc/45/96/56/848459656.db2.gz NRWYHJIVRZACIN-YQVWRLOYSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)C[C@H]32)C1 ZINC001076567943 848459660 /nfs/dbraw/zinc/45/96/60/848459660.db2.gz NRWYHJIVRZACIN-YQVWRLOYSA-N 2 1 356.445 1.682 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455191 875398953 /nfs/dbraw/zinc/39/89/53/875398953.db2.gz FBDASOSMRKOGJV-HCBQETRLSA-N 2 1 353.894 1.286 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000917137574 883111961 /nfs/dbraw/zinc/11/19/61/883111961.db2.gz RUEOBQRYLONAGP-FTEYMNFISA-N 2 1 364.534 1.416 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC000999494210 912894961 /nfs/dbraw/zinc/89/49/61/912894961.db2.gz IFZZTELQBZUWLH-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC000999494210 912894977 /nfs/dbraw/zinc/89/49/77/912894977.db2.gz IFZZTELQBZUWLH-AYOQOUSVSA-N 2 1 356.470 1.358 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@@H](n2ccnn2)C1 ZINC001129032769 885368767 /nfs/dbraw/zinc/36/87/67/885368767.db2.gz TZHMACHPQHLSKX-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001129032769 885368786 /nfs/dbraw/zinc/36/87/86/885368786.db2.gz TZHMACHPQHLSKX-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)[C@@H](n2ccnn2)C1 ZINC001129032769 885368807 /nfs/dbraw/zinc/36/88/07/885368807.db2.gz TZHMACHPQHLSKX-SQNIBIBYSA-N 2 1 360.506 1.460 20 30 FDEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129123063 885769292 /nfs/dbraw/zinc/76/92/92/885769292.db2.gz ZFVCGAKZOAWGFA-SJORKVTESA-N 2 1 360.506 1.318 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129123063 885769301 /nfs/dbraw/zinc/76/93/01/885769301.db2.gz ZFVCGAKZOAWGFA-SJORKVTESA-N 2 1 360.506 1.318 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923393583 889106988 /nfs/dbraw/zinc/10/69/88/889106988.db2.gz TWMYSTZBMCSHGC-XFKSJGNHSA-N 2 1 359.470 1.659 20 30 FDEDMP N#Cc1ccc(OC[C@@H](O)CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000923431302 889230643 /nfs/dbraw/zinc/23/06/43/889230643.db2.gz OGLFGVLWLMYKFO-ZCNNSNEGSA-N 2 1 370.497 1.199 20 30 FDEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000923431302 889230656 /nfs/dbraw/zinc/23/06/56/889230656.db2.gz OGLFGVLWLMYKFO-ZCNNSNEGSA-N 2 1 370.497 1.199 20 30 FDEDMP N#Cc1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1 ZINC000923431302 889230670 /nfs/dbraw/zinc/23/06/70/889230670.db2.gz OGLFGVLWLMYKFO-ZCNNSNEGSA-N 2 1 370.497 1.199 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)c3ccccc3)C[C@@H]2O)CC1 ZINC001084088018 913360496 /nfs/dbraw/zinc/36/04/96/913360496.db2.gz MFHBDFSILQVMFP-HKBOAZHASA-N 2 1 369.509 1.644 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000923585595 890015449 /nfs/dbraw/zinc/01/54/49/890015449.db2.gz LOGONDYCIMXRBJ-OAQYLSRUSA-N 2 1 369.509 1.718 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000923585595 890015466 /nfs/dbraw/zinc/01/54/66/890015466.db2.gz LOGONDYCIMXRBJ-OAQYLSRUSA-N 2 1 369.509 1.718 20 30 FDEDMP C=CCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001108024818 897393364 /nfs/dbraw/zinc/39/33/64/897393364.db2.gz QATBMVARNFWGRQ-QWFCFKBJSA-N 2 1 367.534 1.659 20 30 FDEDMP C=CCCCCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001108024818 897393377 /nfs/dbraw/zinc/39/33/77/897393377.db2.gz QATBMVARNFWGRQ-QWFCFKBJSA-N 2 1 367.534 1.659 20 30 FDEDMP C=CCCCCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024818 897393390 /nfs/dbraw/zinc/39/33/90/897393390.db2.gz QATBMVARNFWGRQ-QWFCFKBJSA-N 2 1 367.534 1.659 20 30 FDEDMP C=CCCCCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001108024818 897393402 /nfs/dbraw/zinc/39/34/02/897393402.db2.gz QATBMVARNFWGRQ-QWFCFKBJSA-N 2 1 367.534 1.659 20 30 FDEDMP C[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710621 903121891 /nfs/dbraw/zinc/12/18/91/903121891.db2.gz PWAJZSCASZSFQO-DUXKGJEZSA-N 2 1 351.494 1.816 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710621 903121898 /nfs/dbraw/zinc/12/18/98/903121898.db2.gz PWAJZSCASZSFQO-DUXKGJEZSA-N 2 1 351.494 1.816 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726110 903143964 /nfs/dbraw/zinc/14/39/64/903143964.db2.gz BUNONULNBSIANT-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079726110 903143971 /nfs/dbraw/zinc/14/39/71/903143971.db2.gz BUNONULNBSIANT-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079726110 903143978 /nfs/dbraw/zinc/14/39/78/903143978.db2.gz BUNONULNBSIANT-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079726110 903143982 /nfs/dbraw/zinc/14/39/82/903143982.db2.gz BUNONULNBSIANT-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@]3(CNC(=O)CC[NH+](C)C)CCC[C@@H]23)C1=O ZINC001107530828 905441918 /nfs/dbraw/zinc/44/19/18/905441918.db2.gz OFFJXEHUFVZEGL-SQGPQFPESA-N 2 1 362.518 1.086 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2C)CC1 ZINC001080998082 906973950 /nfs/dbraw/zinc/97/39/50/906973950.db2.gz RMJZTXAZFFZEBG-WSTZPKSXSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2OC)CC1 ZINC001082383466 907378465 /nfs/dbraw/zinc/37/84/65/907378465.db2.gz YUYNKHIQBBZZNV-WOJBJXKFSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2scnc2C)C1 ZINC001082568591 908711520 /nfs/dbraw/zinc/71/15/20/908711520.db2.gz GFAZZUKQAAEKMV-OIISXLGYSA-N 2 1 360.527 1.528 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2scnc2C)C1 ZINC001082568591 908711532 /nfs/dbraw/zinc/71/15/32/908711532.db2.gz GFAZZUKQAAEKMV-OIISXLGYSA-N 2 1 360.527 1.528 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncc(CC)o3)C2)CC1 ZINC001082941579 911017397 /nfs/dbraw/zinc/01/73/97/911017397.db2.gz YLZZNALGLCFRIY-CRAIPNDOSA-N 2 1 358.486 1.519 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)CC[N@@H+]1C ZINC001083085873 911957506 /nfs/dbraw/zinc/95/75/06/911957506.db2.gz QYYAARMAJKKALO-GEALJGNFSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)CC[N@H+]1C ZINC001083085873 911957509 /nfs/dbraw/zinc/95/75/09/911957509.db2.gz QYYAARMAJKKALO-GEALJGNFSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]32)CC[NH+]1C ZINC001083085873 911957512 /nfs/dbraw/zinc/95/75/12/911957512.db2.gz QYYAARMAJKKALO-GEALJGNFSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)CC[NH+]1C ZINC001083085873 911957523 /nfs/dbraw/zinc/95/75/23/911957523.db2.gz QYYAARMAJKKALO-GEALJGNFSA-N 2 1 368.481 1.310 20 30 FDEDMP C#CCC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]21 ZINC001085033724 919899993 /nfs/dbraw/zinc/89/99/93/919899993.db2.gz XCMPSXBWYPBZJF-APWZRJJASA-N 2 1 356.470 1.830 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]21 ZINC001085033724 919900001 /nfs/dbraw/zinc/90/00/01/919900001.db2.gz XCMPSXBWYPBZJF-APWZRJJASA-N 2 1 356.470 1.830 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccnn1C ZINC001085229945 922983742 /nfs/dbraw/zinc/98/37/42/922983742.db2.gz SDXPEKONPNXVSC-QRVBRYPASA-N 2 1 357.502 1.077 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCc1ccnn1C ZINC001085229945 922983746 /nfs/dbraw/zinc/98/37/46/922983746.db2.gz SDXPEKONPNXVSC-QRVBRYPASA-N 2 1 357.502 1.077 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129326864 926191966 /nfs/dbraw/zinc/19/19/66/926191966.db2.gz NRXGQEKCBXVSIG-SJORKVTESA-N 2 1 357.462 1.181 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129326864 926191972 /nfs/dbraw/zinc/19/19/72/926191972.db2.gz NRXGQEKCBXVSIG-SJORKVTESA-N 2 1 357.462 1.181 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC#Cc1ccccc1 ZINC001109977499 930935791 /nfs/dbraw/zinc/93/57/91/930935791.db2.gz LQDKFSIRWPXMDK-AABGKKOBSA-N 2 1 355.482 1.338 20 30 FDEDMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC#Cc1ccccc1 ZINC001109977499 930935794 /nfs/dbraw/zinc/93/57/94/930935794.db2.gz LQDKFSIRWPXMDK-AABGKKOBSA-N 2 1 355.482 1.338 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C2 ZINC001112583493 931754320 /nfs/dbraw/zinc/75/43/20/931754320.db2.gz UXHLAFPMDJBUSK-BQFCYCMXSA-N 2 1 355.910 1.678 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583493 931754323 /nfs/dbraw/zinc/75/43/23/931754323.db2.gz UXHLAFPMDJBUSK-BQFCYCMXSA-N 2 1 355.910 1.678 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001086600379 934082100 /nfs/dbraw/zinc/08/21/00/934082100.db2.gz PUFJILDCLVLHCB-LBQNXCCASA-N 2 1 367.493 1.620 20 30 FDEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001086600379 934082110 /nfs/dbraw/zinc/08/21/10/934082110.db2.gz PUFJILDCLVLHCB-LBQNXCCASA-N 2 1 367.493 1.620 20 30 FDEDMP C=CC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086600379 934082118 /nfs/dbraw/zinc/08/21/18/934082118.db2.gz PUFJILDCLVLHCB-LBQNXCCASA-N 2 1 367.493 1.620 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129397537 938403345 /nfs/dbraw/zinc/40/33/45/938403345.db2.gz UWGQJQUOPHUOAF-KURKYZTESA-N 2 1 362.522 1.706 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433857 938423985 /nfs/dbraw/zinc/42/39/85/938423985.db2.gz WDYRRRBNFGQMFF-KURKYZTESA-N 2 1 362.522 1.542 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433857 938423988 /nfs/dbraw/zinc/42/39/88/938423988.db2.gz WDYRRRBNFGQMFF-KURKYZTESA-N 2 1 362.522 1.542 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129433857 938423990 /nfs/dbraw/zinc/42/39/90/938423990.db2.gz WDYRRRBNFGQMFF-KURKYZTESA-N 2 1 362.522 1.542 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129837583 938535067 /nfs/dbraw/zinc/53/50/67/938535067.db2.gz GEGAQSZMAHDTFR-SQNIBIBYSA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130610606 939908055 /nfs/dbraw/zinc/90/80/55/939908055.db2.gz NLHMLISUAPFFDH-ZIFCJYIRSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130605203 939916753 /nfs/dbraw/zinc/91/67/53/939916753.db2.gz YXGACQGQDIVBCQ-QXAKKESOSA-N 2 1 357.502 1.202 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130687580 939977115 /nfs/dbraw/zinc/97/71/15/939977115.db2.gz HASSQROURBBHAS-SXLOBPIMSA-N 2 1 371.529 1.590 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cncn1C ZINC001131055538 940481441 /nfs/dbraw/zinc/48/14/41/940481441.db2.gz AJDHYTNEIWVRFD-HUUCEWRRSA-N 2 1 365.909 1.398 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131108273 940502764 /nfs/dbraw/zinc/50/27/64/940502764.db2.gz OKRFXRNOHUNVAF-RCCFBDPRSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001086721372 941646687 /nfs/dbraw/zinc/64/66/87/941646687.db2.gz VWZODMGPXZMWHD-NSHGMRRFSA-N 2 1 371.529 1.936 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1 ZINC001086721372 941646688 /nfs/dbraw/zinc/64/66/88/941646688.db2.gz VWZODMGPXZMWHD-NSHGMRRFSA-N 2 1 371.529 1.936 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001136962093 946854718 /nfs/dbraw/zinc/85/47/18/946854718.db2.gz AKPHVHQDWZACGK-QFIPXVFZSA-N 2 1 369.509 1.617 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196185294 971498096 /nfs/dbraw/zinc/49/80/96/971498096.db2.gz USNJCLIVTOTUEU-NSISKUIASA-N 2 1 359.514 1.920 20 30 FDEDMP C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001171222631 950950789 /nfs/dbraw/zinc/95/07/89/950950789.db2.gz HYJWBDJZQJNCKH-KRWDZBQOSA-N 2 1 354.498 1.975 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@H](C)C1 ZINC000772981443 952410364 /nfs/dbraw/zinc/41/03/64/952410364.db2.gz DFORHVLKEBSVAV-WMEZAZGNSA-N 2 1 364.490 1.239 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1c1cnn(C)c1 ZINC001086983040 952996627 /nfs/dbraw/zinc/99/66/27/952996627.db2.gz SPNWDQURDGIYAU-GBESFXJTSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ocnc4C)C[C@@]3(C)C2)CC1 ZINC001092299959 954747493 /nfs/dbraw/zinc/74/74/93/954747493.db2.gz KVPFQRJVBOMTDX-NQIIRXRSSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092690021 956199507 /nfs/dbraw/zinc/19/95/07/956199507.db2.gz WXSCALXXKZSIQO-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092690021 956199513 /nfs/dbraw/zinc/19/95/13/956199513.db2.gz WXSCALXXKZSIQO-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092690021 956199526 /nfs/dbraw/zinc/19/95/26/956199526.db2.gz WXSCALXXKZSIQO-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1C ZINC001092690021 956199534 /nfs/dbraw/zinc/19/95/34/956199534.db2.gz WXSCALXXKZSIQO-UIFIKXQLSA-N 2 1 364.493 1.840 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C(C)C)C[C@H]1O ZINC001093468350 958218842 /nfs/dbraw/zinc/21/88/42/958218842.db2.gz ZGSUXCLREAZCHX-PLOVASNDSA-N 2 1 363.546 1.870 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCCC)CC1 ZINC001110152387 959418954 /nfs/dbraw/zinc/41/89/54/959418954.db2.gz REWLCVRPHCZNBT-AABGKKOBSA-N 2 1 361.530 1.870 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001094220886 960044907 /nfs/dbraw/zinc/04/49/07/960044907.db2.gz BJXLBGRWDLJEDH-UWWQBHOKSA-N 2 1 358.461 1.833 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@H+](Cc2ccon2)CC3)CC1 ZINC001094582804 960884464 /nfs/dbraw/zinc/88/44/64/960884464.db2.gz XXCJVUOFOMYDIF-TZIWHRDSSA-N 2 1 370.497 1.881 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](Cc2ccon2)CC3)CC1 ZINC001094582804 960884478 /nfs/dbraw/zinc/88/44/78/960884478.db2.gz XXCJVUOFOMYDIF-TZIWHRDSSA-N 2 1 370.497 1.881 20 30 FDEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189659727 967169312 /nfs/dbraw/zinc/16/93/12/967169312.db2.gz FMQZDVGAEOGLKY-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189659727 967169320 /nfs/dbraw/zinc/16/93/20/967169320.db2.gz FMQZDVGAEOGLKY-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](Cc3ccc(OC)c(C#N)c3)C[C@H]21 ZINC001189659727 967169326 /nfs/dbraw/zinc/16/93/26/967169326.db2.gz FMQZDVGAEOGLKY-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000855404829 970338561 /nfs/dbraw/zinc/33/85/61/970338561.db2.gz XPNQIAIUGMTKCJ-FQEVSTJZSA-N 2 1 355.482 1.215 20 30 FDEDMP C#C[C@@H]([NH2+]CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000775805313 972609936 /nfs/dbraw/zinc/60/99/36/972609936.db2.gz FULGHRHJWYMRJV-RTWAWAEBSA-N 2 1 369.509 1.846 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200645049 974870016 /nfs/dbraw/zinc/87/00/16/974870016.db2.gz YNOILBUVWYYHIK-SJLPKXTDSA-N 2 1 362.518 1.108 20 30 FDEDMP CCC[N@H+]1CCC[C@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849050935 977293941 /nfs/dbraw/zinc/29/39/41/977293941.db2.gz PCXOMWTYKGXYHW-JKSUJKDBSA-N 2 1 365.522 1.741 20 30 FDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884206620 982982713 /nfs/dbraw/zinc/98/27/13/982982713.db2.gz ZRBFYLWGVOQXSF-SSZRJXQFSA-N 2 1 373.545 1.143 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332141491 983001491 /nfs/dbraw/zinc/00/14/91/983001491.db2.gz KRKUSILJWBLMRB-FUHWJXTLSA-N 2 1 362.518 1.086 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000296884813 989446604 /nfs/dbraw/zinc/44/66/04/989446604.db2.gz LZMBBRCSRBIASZ-UHFFFAOYSA-N 2 1 358.490 1.317 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000296884813 989446607 /nfs/dbraw/zinc/44/66/07/989446607.db2.gz LZMBBRCSRBIASZ-UHFFFAOYSA-N 2 1 358.490 1.317 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000876719426 992829676 /nfs/dbraw/zinc/82/96/76/992829676.db2.gz LBSDCZFSWHAMOC-MRXNPFEDSA-N 2 1 364.877 1.160 20 30 FDEDMP CN(C)c1ccc(C#N)cc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000877523002 993319387 /nfs/dbraw/zinc/31/93/87/993319387.db2.gz UDYSTEDINLQALZ-UHFFFAOYSA-N 2 1 369.513 1.610 20 30 FDEDMP C=CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1OC ZINC000469988659 993926556 /nfs/dbraw/zinc/92/65/56/993926556.db2.gz DDQDAWVKEQSOFY-SFHVURJKSA-N 2 1 373.497 1.904 20 30 FDEDMP COCC[N@@H+](C[C@@H](O)COc1ccccc1C#N)CC1CC[NH+](C)CC1 ZINC000879126642 994561339 /nfs/dbraw/zinc/56/13/39/994561339.db2.gz LYIJPAXHCHKUPL-LJQANCHMSA-N 2 1 361.486 1.588 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000925324812 995495130 /nfs/dbraw/zinc/49/51/30/995495130.db2.gz ZJTSOFRHWZZJPO-APWZRJJASA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000925324812 995495136 /nfs/dbraw/zinc/49/51/36/995495136.db2.gz ZJTSOFRHWZZJPO-APWZRJJASA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000925324812 995495143 /nfs/dbraw/zinc/49/51/43/995495143.db2.gz ZJTSOFRHWZZJPO-APWZRJJASA-N 2 1 355.486 1.868 20 30 FDEDMP COCCNC(=[NH2+])NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000264314202 997458118 /nfs/dbraw/zinc/45/81/18/997458118.db2.gz VONZBSMVPQJMFB-UHFFFAOYSA-N 2 1 364.490 1.227 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OC[C@@H]1CCOC1 ZINC000287012964 999953984 /nfs/dbraw/zinc/95/39/84/999953984.db2.gz FWMCPPLLEXFEIY-WBVHZDCISA-N 2 1 361.490 1.386 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(Cc4cc(F)ccc4C#N)C[C@H]32)CC[N@H+]1C ZINC000959963801 1009215385 /nfs/dbraw/zinc/21/53/85/1009215385.db2.gz FJNZQCNOEAVKOS-CENDIDJXSA-N 2 1 370.472 1.974 20 30 FDEDMP Cc1cccc(NC(=[NH2+])NCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000303780276 1009579093 /nfs/dbraw/zinc/57/90/93/1009579093.db2.gz LGLQKVWFMMUGQK-UHFFFAOYSA-N 2 1 353.474 1.724 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415975 1012433433 /nfs/dbraw/zinc/43/34/33/1012433433.db2.gz CTUOLQVEGXMRFP-MKXGPGLRSA-N 2 1 374.529 1.112 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001111415975 1012433447 /nfs/dbraw/zinc/43/34/47/1012433447.db2.gz CTUOLQVEGXMRFP-MKXGPGLRSA-N 2 1 374.529 1.112 20 30 FDEDMP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000264156602 179037298 /nfs/dbraw/zinc/03/72/98/179037298.db2.gz VCERXMHQGAHBBL-OAHLLOKOSA-N 2 1 371.485 1.275 20 30 FDEDMP C[C@H](NC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc([S@@](C)=O)cc1 ZINC000270024607 674155641 /nfs/dbraw/zinc/15/56/41/674155641.db2.gz BVHQDIJLXKAHAR-LFPIHBKWSA-N 2 1 352.504 1.112 20 30 FDEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083032520 524234239 /nfs/dbraw/zinc/23/42/39/524234239.db2.gz OWWJHZHKFKCFTP-WMZOPIPTSA-N 2 1 359.518 1.688 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(O)c(Br)c1 ZINC000153462330 525219977 /nfs/dbraw/zinc/21/99/77/525219977.db2.gz UJUSESSFLHMSLU-UHFFFAOYSA-N 2 1 371.279 1.281 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171305251 525938884 /nfs/dbraw/zinc/93/88/84/525938884.db2.gz PUKFHKZNQUEADC-OAGGEKHMSA-N 2 1 366.506 1.208 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000171707948 526087534 /nfs/dbraw/zinc/08/75/34/526087534.db2.gz VHJJFWTXZMWHQO-GOSISDBHSA-N 2 1 351.539 1.208 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000183762542 536045478 /nfs/dbraw/zinc/04/54/78/536045478.db2.gz LEXKWRNGXIHZTL-FQEVSTJZSA-N 2 1 355.482 1.215 20 30 FDEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000264297479 537140608 /nfs/dbraw/zinc/14/06/08/537140608.db2.gz QVOBAYOUCSGINM-SFHVURJKSA-N 2 1 357.502 1.845 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000283985880 537399026 /nfs/dbraw/zinc/39/90/26/537399026.db2.gz GHJIYRUKTHDTJB-INIZCTEOSA-N 2 1 362.474 1.155 20 30 FDEDMP CC1(C[NH+]2CCOCC2)CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000371375322 537828349 /nfs/dbraw/zinc/82/83/49/537828349.db2.gz UKOPNIBABYSTBH-UHFFFAOYSA-N 2 1 362.518 1.763 20 30 FDEDMP C=CCN1CC[C@H]([N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000369187619 538002812 /nfs/dbraw/zinc/00/28/12/538002812.db2.gz IVTRSXHEDFENFS-FQEVSTJZSA-N 2 1 362.562 1.901 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000370698754 538091205 /nfs/dbraw/zinc/09/12/05/538091205.db2.gz OREIOKUJDMBFLP-PMACEKPBSA-N 2 1 354.498 1.878 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000561413802 545837825 /nfs/dbraw/zinc/83/78/25/545837825.db2.gz JLONZMKXOAUTJL-GOSISDBHSA-N 2 1 364.534 1.524 20 30 FDEDMP N#Cc1ccc(O[C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)nc1 ZINC000567327226 548078532 /nfs/dbraw/zinc/07/85/32/548078532.db2.gz GKKDQALIZKUCOG-GOSISDBHSA-N 2 1 369.469 1.149 20 30 FDEDMP N#Cc1ccc(O[C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)nc1 ZINC000567327226 548078537 /nfs/dbraw/zinc/07/85/37/548078537.db2.gz GKKDQALIZKUCOG-GOSISDBHSA-N 2 1 369.469 1.149 20 30 FDEDMP Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)c(C#N)c1C ZINC000568928782 548733089 /nfs/dbraw/zinc/73/30/89/548733089.db2.gz FEDQFTUDVTXGMN-HNNXBMFYSA-N 2 1 363.506 1.910 20 30 FDEDMP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)c(C#N)c1C ZINC000568928782 548733095 /nfs/dbraw/zinc/73/30/95/548733095.db2.gz FEDQFTUDVTXGMN-HNNXBMFYSA-N 2 1 363.506 1.910 20 30 FDEDMP N#CC[C@@]1(O)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@](O)(CC#N)C3)cc2)C1 ZINC000592149592 551950278 /nfs/dbraw/zinc/95/02/78/551950278.db2.gz RUWPGXRHIZFOIA-WOJBJXKFSA-N 2 1 354.454 1.388 20 30 FDEDMP C[NH+]1CCN([C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c2cccs2)CC1 ZINC000594439388 552310383 /nfs/dbraw/zinc/31/03/83/552310383.db2.gz QHGZWYGKEAORHH-CVEARBPZSA-N 2 1 363.531 1.564 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000594441027 552310800 /nfs/dbraw/zinc/31/08/00/552310800.db2.gz LEJNGURGNRLVMV-SJORKVTESA-N 2 1 357.458 1.486 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000594441027 552310802 /nfs/dbraw/zinc/31/08/02/552310802.db2.gz LEJNGURGNRLVMV-SJORKVTESA-N 2 1 357.458 1.486 20 30 FDEDMP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000596067340 552652034 /nfs/dbraw/zinc/65/20/34/552652034.db2.gz ZIWSZJKEYNRGFA-RBUKOAKNSA-N 2 1 359.470 1.335 20 30 FDEDMP N#CC1(C[C@H](O)C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000600722905 553307266 /nfs/dbraw/zinc/30/72/66/553307266.db2.gz RXHWTZHPFZJYQN-MOPGFXCFSA-N 2 1 370.497 1.528 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120024 671491552 /nfs/dbraw/zinc/49/15/52/671491552.db2.gz HCXCOLBTGWNJPD-CABCVRRESA-N 2 1 351.495 1.351 20 30 FDEDMP CCC[N@@H+](CC)CCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120825 671491869 /nfs/dbraw/zinc/49/18/69/671491869.db2.gz ASWUSUOTKZJGSU-HNNXBMFYSA-N 2 1 353.511 1.599 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262793941 672850212 /nfs/dbraw/zinc/85/02/12/672850212.db2.gz OVCSBZGABALWAL-SJLPKXTDSA-N 3 1 353.580 1.417 20 30 FDEDMP CN1CC[N@@H+](CCCNC(=[NH2+])N2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000303904990 676543679 /nfs/dbraw/zinc/54/36/79/676543679.db2.gz VHHMMJVUIDMYMZ-GOSISDBHSA-N 2 1 361.559 1.729 20 30 FDEDMP C[N@@H+]1CCN(CCCNC(=[NH2+])N2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000303904990 676543683 /nfs/dbraw/zinc/54/36/83/676543683.db2.gz VHHMMJVUIDMYMZ-GOSISDBHSA-N 2 1 361.559 1.729 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=[NH2+])N2CCSCC2)[C@@H](c2ccccc2)C1 ZINC000303904990 676543686 /nfs/dbraw/zinc/54/36/86/676543686.db2.gz VHHMMJVUIDMYMZ-GOSISDBHSA-N 2 1 361.559 1.729 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718945 676545229 /nfs/dbraw/zinc/54/52/29/676545229.db2.gz HVSPVMCGJYADQJ-CABCVRRESA-N 2 1 353.511 1.678 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000369463332 677505585 /nfs/dbraw/zinc/50/55/85/677505585.db2.gz NZPZUUZLZYCVOY-MRXNPFEDSA-N 2 1 350.507 1.532 20 30 FDEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083193889 771227951 /nfs/dbraw/zinc/22/79/51/771227951.db2.gz MDJGGCRTZPJONK-ZWKOTPCHSA-N 2 1 360.458 1.372 20 30 FDEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cc(C[NH+]4CCCC4)on3)[C@H]2C1 ZINC001083193889 771227957 /nfs/dbraw/zinc/22/79/57/771227957.db2.gz MDJGGCRTZPJONK-ZWKOTPCHSA-N 2 1 360.458 1.372 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(CC)n2)C1 ZINC001104306002 774437625 /nfs/dbraw/zinc/43/76/25/774437625.db2.gz FODKJQURUCRVCG-GGPKGHCWSA-N 2 1 371.529 1.575 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccn(CC)n2)C1 ZINC001104306002 774437629 /nfs/dbraw/zinc/43/76/29/774437629.db2.gz FODKJQURUCRVCG-GGPKGHCWSA-N 2 1 371.529 1.575 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)cc1 ZINC001083249730 783521248 /nfs/dbraw/zinc/52/12/48/783521248.db2.gz UITAHCKQXLFSNN-RBUKOAKNSA-N 2 1 366.465 1.066 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@H]3OCCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)cc1 ZINC001083249730 783521250 /nfs/dbraw/zinc/52/12/50/783521250.db2.gz UITAHCKQXLFSNN-RBUKOAKNSA-N 2 1 366.465 1.066 20 30 FDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579398 788464235 /nfs/dbraw/zinc/46/42/35/788464235.db2.gz BJBUNXAZJCNSNJ-GUDVDZBRSA-N 2 1 367.534 1.372 20 30 FDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579398 788464241 /nfs/dbraw/zinc/46/42/41/788464241.db2.gz BJBUNXAZJCNSNJ-GUDVDZBRSA-N 2 1 367.534 1.372 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000364239999 795515819 /nfs/dbraw/zinc/51/58/19/795515819.db2.gz ABTWKCNWFPRWER-VQIMIIECSA-N 2 1 374.533 1.753 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1=O ZINC000662326721 806484095 /nfs/dbraw/zinc/48/40/95/806484095.db2.gz APPSCMNLRONVIC-LJQANCHMSA-N 2 1 357.502 1.843 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001026852804 800006748 /nfs/dbraw/zinc/00/67/48/800006748.db2.gz QUQSOICVTCMIBO-IMFGXOCKSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(C#N)cc3F)C2)CC[N@H+]1C ZINC001026853928 800031136 /nfs/dbraw/zinc/03/11/36/800031136.db2.gz VXLUCESZDWCZNU-QGPMSJSTSA-N 2 1 358.461 1.976 20 30 FDEDMP C=CCN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001087444007 809807104 /nfs/dbraw/zinc/80/71/04/809807104.db2.gz RLTKDVIYHDCZMZ-AQNXPRMDSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000664020347 810174475 /nfs/dbraw/zinc/17/44/75/810174475.db2.gz QWYJFAVYUOTFPF-FQEVSTJZSA-N 2 1 372.513 1.703 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261613181 811285071 /nfs/dbraw/zinc/28/50/71/811285071.db2.gz AKWWEHBZXCREMA-SLFFLAALSA-N 2 1 356.514 1.847 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000262004585 811365288 /nfs/dbraw/zinc/36/52/88/811365288.db2.gz VGWRFSJVQDFTRC-KDOFPFPSSA-N 2 1 367.501 1.723 20 30 FDEDMP C[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262097713 819761975 /nfs/dbraw/zinc/76/19/75/819761975.db2.gz ZBRYSEQXZVZXHR-BBRMVZONSA-N 2 1 358.486 1.920 20 30 FDEDMP C[NH+]=C(NCc1cc2c(cc1OC)C[C@H](C)O2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262097713 819761981 /nfs/dbraw/zinc/76/19/81/819761981.db2.gz ZBRYSEQXZVZXHR-BBRMVZONSA-N 2 1 358.486 1.920 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908438 823743844 /nfs/dbraw/zinc/74/38/44/823743844.db2.gz BYQQQRAQRRYHHI-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908438 823743853 /nfs/dbraw/zinc/74/38/53/823743853.db2.gz BYQQQRAQRRYHHI-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cccc(C#N)c3)CC[C@@H]2C1 ZINC001087908438 823743858 /nfs/dbraw/zinc/74/38/58/823743858.db2.gz BYQQQRAQRRYHHI-HSALFYBXSA-N 2 1 352.482 1.933 20 30 FDEDMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000329409175 824775768 /nfs/dbraw/zinc/77/57/68/824775768.db2.gz CPBOHQLNFLLPBG-NXWXRZEISA-N 2 1 364.534 1.694 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000329616355 825002240 /nfs/dbraw/zinc/00/22/40/825002240.db2.gz FOWQBLIAWCICRO-CYBMUJFWSA-N 2 1 362.478 1.129 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3cc(C(N)=O)[nH]n3)C2)CC1 ZINC000329616355 825002245 /nfs/dbraw/zinc/00/22/45/825002245.db2.gz FOWQBLIAWCICRO-CYBMUJFWSA-N 2 1 362.478 1.129 20 30 FDEDMP NC(=O)c1cc([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n[nH]1 ZINC000329673362 825282712 /nfs/dbraw/zinc/28/27/12/825282712.db2.gz STYLWINXBRLGHV-CYBMUJFWSA-N 2 1 374.489 1.271 20 30 FDEDMP NC(=O)c1cc([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)n[nH]1 ZINC000329673362 825282728 /nfs/dbraw/zinc/28/27/28/825282728.db2.gz STYLWINXBRLGHV-CYBMUJFWSA-N 2 1 374.489 1.271 20 30 FDEDMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330189680 825712660 /nfs/dbraw/zinc/71/26/60/825712660.db2.gz VNHUGDRZBZAIEH-JFRXWTBNSA-N 2 1 366.550 1.988 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(-n2ccnc2)c(F)c1 ZINC000303877613 830333359 /nfs/dbraw/zinc/33/33/59/830333359.db2.gz ITYKVQBEQKZJTJ-UHFFFAOYSA-N 2 1 360.437 1.138 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637625 842272678 /nfs/dbraw/zinc/27/26/78/842272678.db2.gz STTLYDMMCJTHRY-VURPSTOHSA-N 2 1 361.530 1.460 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105641873 842306797 /nfs/dbraw/zinc/30/67/97/842306797.db2.gz FJMOTEDJLSBQGO-WWNBULGVSA-N 2 1 351.535 1.869 20 30 FDEDMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083522094 846083104 /nfs/dbraw/zinc/08/31/04/846083104.db2.gz SXLKWMUVLRNDTL-ZCNNSNEGSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083522094 846083110 /nfs/dbraw/zinc/08/31/10/846083110.db2.gz SXLKWMUVLRNDTL-ZCNNSNEGSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083522094 846083119 /nfs/dbraw/zinc/08/31/19/846083119.db2.gz SXLKWMUVLRNDTL-ZCNNSNEGSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)C1 ZINC001083522094 846083127 /nfs/dbraw/zinc/08/31/27/846083127.db2.gz SXLKWMUVLRNDTL-ZCNNSNEGSA-N 2 1 370.497 1.197 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076568877 848462768 /nfs/dbraw/zinc/46/27/68/848462768.db2.gz AXJGRTDNECDHAO-YQVWRLOYSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001076568877 848462772 /nfs/dbraw/zinc/46/27/72/848462772.db2.gz AXJGRTDNECDHAO-YQVWRLOYSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001076568877 848462777 /nfs/dbraw/zinc/46/27/77/848462777.db2.gz AXJGRTDNECDHAO-YQVWRLOYSA-N 2 1 368.481 1.551 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001076568877 848462782 /nfs/dbraw/zinc/46/27/82/848462782.db2.gz AXJGRTDNECDHAO-YQVWRLOYSA-N 2 1 368.481 1.551 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCC(F)(F)F)C[C@H]32)CC1 ZINC001076604859 848554520 /nfs/dbraw/zinc/55/45/20/848554520.db2.gz UUCTUKNZBQLJQC-JKSUJKDBSA-N 2 1 357.420 1.817 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000908695632 855685485 /nfs/dbraw/zinc/68/54/85/855685485.db2.gz SESXXAXAMBEVMZ-WWNBULGVSA-N 2 1 372.517 1.388 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000908695632 855685488 /nfs/dbraw/zinc/68/54/88/855685488.db2.gz SESXXAXAMBEVMZ-WWNBULGVSA-N 2 1 372.517 1.388 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000908695632 855685492 /nfs/dbraw/zinc/68/54/92/855685492.db2.gz SESXXAXAMBEVMZ-WWNBULGVSA-N 2 1 372.517 1.388 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000909296336 856378808 /nfs/dbraw/zinc/37/88/08/856378808.db2.gz DZLNLZPVOBQEAN-SJORKVTESA-N 2 1 374.533 1.920 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669334391 863001586 /nfs/dbraw/zinc/00/15/86/863001586.db2.gz DZZNBQJSJMMRQO-KURKYZTESA-N 2 1 374.533 1.920 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](CC)[C@H](C)C1 ZINC000669334391 863001605 /nfs/dbraw/zinc/00/16/05/863001605.db2.gz DZZNBQJSJMMRQO-KURKYZTESA-N 2 1 374.533 1.920 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CCC[N@H+](CC)CC1 ZINC000669335797 863005782 /nfs/dbraw/zinc/00/57/82/863005782.db2.gz XTBSOGYGZOHAHF-MSOLQXFVSA-N 2 1 374.533 1.922 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CCC[NH+](CC)CC1 ZINC000669335797 863005796 /nfs/dbraw/zinc/00/57/96/863005796.db2.gz XTBSOGYGZOHAHF-MSOLQXFVSA-N 2 1 374.533 1.922 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC[NH+](CC)CC1 ZINC000669335797 863005819 /nfs/dbraw/zinc/00/58/19/863005819.db2.gz XTBSOGYGZOHAHF-MSOLQXFVSA-N 2 1 374.533 1.922 20 30 FDEDMP CSCCC[NH+]=C(NC[C@@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912508177 859832626 /nfs/dbraw/zinc/83/26/26/859832626.db2.gz ITFOKOIWTWBNKU-MRXNPFEDSA-N 2 1 357.612 1.957 20 30 FDEDMP C[C@H](CNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C)CN1CC[NH+](C)CC1 ZINC000912508908 859832864 /nfs/dbraw/zinc/83/28/64/859832864.db2.gz SWLYOICTDZCGDW-IAGOWNOFSA-N 2 1 353.555 1.383 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N(C)CC[NH+]1CCCCC1 ZINC000669032930 860835793 /nfs/dbraw/zinc/83/57/93/860835793.db2.gz ZCLZMSMQAHPBDX-MSOLQXFVSA-N 2 1 374.533 1.922 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccnc(OC)c3)[C@@H]2C)CC1 ZINC001089060172 866390458 /nfs/dbraw/zinc/39/04/58/866390458.db2.gz XKBCVQRDKRQZMN-APWZRJJASA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccnc(OC)c3)[C@@H]2C)CC1 ZINC001089060172 866390470 /nfs/dbraw/zinc/39/04/70/866390470.db2.gz XKBCVQRDKRQZMN-APWZRJJASA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnc(C)cn3)[C@@H]2C)CC1 ZINC001089059983 866390903 /nfs/dbraw/zinc/39/09/03/866390903.db2.gz MBADITAKNDPTOR-APWZRJJASA-N 2 1 355.486 1.209 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnc(C)cn3)[C@@H]2C)CC1 ZINC001089059983 866390909 /nfs/dbraw/zinc/39/09/09/866390909.db2.gz MBADITAKNDPTOR-APWZRJJASA-N 2 1 355.486 1.209 20 30 FDEDMP C#CCN(C(=O)NCCCCN1CC[NH+](CC)CC1)C1CC[NH+](C)CC1 ZINC000914100772 870763647 /nfs/dbraw/zinc/76/36/47/870763647.db2.gz NJJUOWLDRAIRSW-UHFFFAOYSA-N 2 1 363.550 1.143 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](n2ccnn2)C1 ZINC001129093858 885723393 /nfs/dbraw/zinc/72/33/93/885723393.db2.gz SAERBUKUYQJARN-MSOLQXFVSA-N 2 1 365.441 1.547 20 30 FDEDMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000923328718 888887680 /nfs/dbraw/zinc/88/76/80/888887680.db2.gz NECJVIIUEIXLIQ-QXAKKESOSA-N 2 1 356.470 1.172 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCN(Cc3ccc(F)c(C#N)c3)C[C@H]21 ZINC001084231751 913778235 /nfs/dbraw/zinc/77/82/35/913778235.db2.gz KLHYNLZZDCVDDR-ATZDWAIDSA-N 2 1 356.445 1.824 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000921992449 893919804 /nfs/dbraw/zinc/91/98/04/893919804.db2.gz WDLSHTJNCQXBIC-FXAWDEMLSA-N 2 1 354.498 1.904 20 30 FDEDMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084351841 914150998 /nfs/dbraw/zinc/15/09/98/914150998.db2.gz ANHTWDOYGABRLA-WTGUMLROSA-N 2 1 361.530 1.842 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(C#N)cc4)C[C@H]32)CC[N@H+]1C ZINC001084355686 914173114 /nfs/dbraw/zinc/17/31/14/914173114.db2.gz BKTSXWPWXBOGPD-HUYLIWGRSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC[NH+]1C ZINC001084355686 914173118 /nfs/dbraw/zinc/17/31/18/914173118.db2.gz BKTSXWPWXBOGPD-HUYLIWGRSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC[NH+]1C ZINC001084355686 914173123 /nfs/dbraw/zinc/17/31/23/914173123.db2.gz BKTSXWPWXBOGPD-HUYLIWGRSA-N 2 1 352.482 1.931 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)C[C@H]2O)CC1 ZINC001078227210 898429110 /nfs/dbraw/zinc/42/91/10/898429110.db2.gz OEIUVBHYDZMCIB-WOJBJXKFSA-N 2 1 361.530 1.463 20 30 FDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146664 901967228 /nfs/dbraw/zinc/96/72/28/901967228.db2.gz ZVPKCEKEQCBUPE-RTBURBONSA-N 2 1 355.482 1.342 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146664 901967232 /nfs/dbraw/zinc/96/72/32/901967232.db2.gz ZVPKCEKEQCBUPE-RTBURBONSA-N 2 1 355.482 1.342 20 30 FDEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079134925 902000348 /nfs/dbraw/zinc/00/03/48/902000348.db2.gz ZSDDNOCTVWXIJW-PWRODBHTSA-N 2 1 369.509 1.588 20 30 FDEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079134925 902000360 /nfs/dbraw/zinc/00/03/60/902000360.db2.gz ZSDDNOCTVWXIJW-PWRODBHTSA-N 2 1 369.509 1.588 20 30 FDEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546828 905520197 /nfs/dbraw/zinc/52/01/97/905520197.db2.gz QMWLJTBKHQSELK-SQGPQFPESA-N 2 1 362.518 1.134 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546828 905520203 /nfs/dbraw/zinc/52/02/03/905520203.db2.gz QMWLJTBKHQSELK-SQGPQFPESA-N 2 1 362.518 1.134 20 30 FDEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546828 905520212 /nfs/dbraw/zinc/52/02/12/905520212.db2.gz QMWLJTBKHQSELK-SQGPQFPESA-N 2 1 362.518 1.134 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082139170 905960185 /nfs/dbraw/zinc/96/01/85/905960185.db2.gz GQEFEANAWQTIKR-QZTJIDSGSA-N 2 1 362.474 1.666 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)[C@H](OC)C1 ZINC001082139170 905960191 /nfs/dbraw/zinc/96/01/91/905960191.db2.gz GQEFEANAWQTIKR-QZTJIDSGSA-N 2 1 362.474 1.666 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202372 906243041 /nfs/dbraw/zinc/24/30/41/906243041.db2.gz VLSQEGRPTZOJLN-WOJBJXKFSA-N 2 1 370.497 1.606 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202372 906243057 /nfs/dbraw/zinc/24/30/57/906243057.db2.gz VLSQEGRPTZOJLN-WOJBJXKFSA-N 2 1 370.497 1.606 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781122 906249127 /nfs/dbraw/zinc/24/91/27/906249127.db2.gz OQTWKHCAVDOOFC-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001080781122 906249142 /nfs/dbraw/zinc/24/91/42/906249142.db2.gz OQTWKHCAVDOOFC-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001080781122 906249162 /nfs/dbraw/zinc/24/91/62/906249162.db2.gz OQTWKHCAVDOOFC-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001080781122 906249177 /nfs/dbraw/zinc/24/91/77/906249177.db2.gz OQTWKHCAVDOOFC-IDHHARJASA-N 2 1 358.461 1.976 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080979359 906847864 /nfs/dbraw/zinc/84/78/64/906847864.db2.gz MJYCNYCXAQSNQL-LZQZEXGQSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080979359 906847875 /nfs/dbraw/zinc/84/78/75/906847875.db2.gz MJYCNYCXAQSNQL-LZQZEXGQSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080979359 906847924 /nfs/dbraw/zinc/84/79/24/906847924.db2.gz MJYCNYCXAQSNQL-LZQZEXGQSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2C)C1 ZINC001080979359 906847946 /nfs/dbraw/zinc/84/79/46/906847946.db2.gz MJYCNYCXAQSNQL-LZQZEXGQSA-N 2 1 356.470 1.215 20 30 FDEDMP CC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]21 ZINC001085033708 919900089 /nfs/dbraw/zinc/90/00/89/919900089.db2.gz VTJLJMUPWWIQRL-APWZRJJASA-N 2 1 356.470 1.830 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@@H]21 ZINC001085033708 919900094 /nfs/dbraw/zinc/90/00/94/919900094.db2.gz VTJLJMUPWWIQRL-APWZRJJASA-N 2 1 356.470 1.830 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncc(C)o2)CC1 ZINC001085432719 924680317 /nfs/dbraw/zinc/68/03/17/924680317.db2.gz MLZFWDITCHVUEI-QZTJIDSGSA-N 2 1 358.486 1.845 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)N2CC[NH+](C)CC2)CC1 ZINC000740735991 925420009 /nfs/dbraw/zinc/42/00/09/925420009.db2.gz YSMCZJJNRIUOJV-OAQYLSRUSA-N 2 1 368.525 1.579 20 30 FDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231597 925713142 /nfs/dbraw/zinc/71/31/42/925713142.db2.gz YCPMUVPSJGAGIN-RZUBCFFCSA-N 2 1 369.509 1.562 20 30 FDEDMP C#CCC[NH+]1CCO[C@](C)(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231597 925713153 /nfs/dbraw/zinc/71/31/53/925713153.db2.gz YCPMUVPSJGAGIN-RZUBCFFCSA-N 2 1 369.509 1.562 20 30 FDEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231597 925713163 /nfs/dbraw/zinc/71/31/63/925713163.db2.gz YCPMUVPSJGAGIN-RZUBCFFCSA-N 2 1 369.509 1.562 20 30 FDEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001108231597 925713167 /nfs/dbraw/zinc/71/31/67/925713167.db2.gz YCPMUVPSJGAGIN-RZUBCFFCSA-N 2 1 369.509 1.562 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560887 929764285 /nfs/dbraw/zinc/76/42/85/929764285.db2.gz WYYDKRLUNHECEL-QYZOEREBSA-N 2 1 361.530 1.870 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001109560887 929764292 /nfs/dbraw/zinc/76/42/92/929764292.db2.gz WYYDKRLUNHECEL-QYZOEREBSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565336 929788533 /nfs/dbraw/zinc/78/85/33/929788533.db2.gz LFOPRRLQBIYKMV-MHORFTMASA-N 2 1 374.529 1.110 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565336 929788536 /nfs/dbraw/zinc/78/85/36/929788536.db2.gz LFOPRRLQBIYKMV-MHORFTMASA-N 2 1 374.529 1.110 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892176 938542867 /nfs/dbraw/zinc/54/28/67/938542867.db2.gz LKJSHIIZTGPTID-IKGGRYGDSA-N 2 1 369.473 1.360 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129923792 938569675 /nfs/dbraw/zinc/56/96/75/938569675.db2.gz WTUQOLMGIPHFKU-KURKYZTESA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001130305166 938803312 /nfs/dbraw/zinc/80/33/12/938803312.db2.gz LUECUMWHINDPHW-XLIONFOSSA-N 2 1 364.534 1.380 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001130608145 939905807 /nfs/dbraw/zinc/90/58/07/939905807.db2.gz ZHGGXNDTMQIDKD-JQHSSLGASA-N 2 1 366.469 1.102 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1c1cn(C)cn1 ZINC001130671970 939971241 /nfs/dbraw/zinc/97/12/41/939971241.db2.gz DYNQVFUIHLMFOZ-FUHWJXTLSA-N 2 1 361.534 1.858 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672366 939971549 /nfs/dbraw/zinc/97/15/49/939971549.db2.gz ORBTVMWNCMZBMO-FUHWJXTLSA-N 2 1 359.518 1.612 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131054134 940481017 /nfs/dbraw/zinc/48/10/17/940481017.db2.gz TXFSARFCHMADQZ-GUDVDZBRSA-N 2 1 371.529 1.449 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131110471 940498273 /nfs/dbraw/zinc/49/82/73/940498273.db2.gz OXZAOHNETHDICV-HZPDHXFCSA-N 2 1 367.925 1.789 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361800 940558699 /nfs/dbraw/zinc/55/86/99/940558699.db2.gz DRSZFRXQJWNWCN-RCCFBDPRSA-N 2 1 364.534 1.332 20 30 FDEDMP C=CCC[C@H](C)[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131361800 940558701 /nfs/dbraw/zinc/55/87/01/940558701.db2.gz DRSZFRXQJWNWCN-RCCFBDPRSA-N 2 1 364.534 1.332 20 30 FDEDMP C=CCC[C@H](C)[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361800 940558702 /nfs/dbraw/zinc/55/87/02/940558702.db2.gz DRSZFRXQJWNWCN-RCCFBDPRSA-N 2 1 364.534 1.332 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001131512105 940694093 /nfs/dbraw/zinc/69/40/93/940694093.db2.gz NLIWSKQIMGTIOO-AQNXPRMDSA-N 2 1 361.530 1.870 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001086721385 941646666 /nfs/dbraw/zinc/64/66/66/941646666.db2.gz WWQFMZCRXYACPY-ZCNNSNEGSA-N 2 1 371.529 1.472 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCn2nc(C)cc2C)C1 ZINC001086721385 941646669 /nfs/dbraw/zinc/64/66/69/941646669.db2.gz WWQFMZCRXYACPY-ZCNNSNEGSA-N 2 1 371.529 1.472 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C[N@@H+](C)CCOC)ccn1 ZINC001171070757 946854254 /nfs/dbraw/zinc/85/42/54/946854254.db2.gz JRWZZVUGJFOEJP-KRWDZBQOSA-N 2 1 364.490 1.799 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1cc(C[N@H+](C)CCOC)ccn1 ZINC001171070757 946854257 /nfs/dbraw/zinc/85/42/57/946854257.db2.gz JRWZZVUGJFOEJP-KRWDZBQOSA-N 2 1 364.490 1.799 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cc(C)no3)C[C@@]2(C)C1 ZINC001091748195 952794043 /nfs/dbraw/zinc/79/40/43/952794043.db2.gz FCCSTJFAAJFDGO-KPFFTGBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cc(C)no3)C[C@@]2(C)C1 ZINC001091748195 952794047 /nfs/dbraw/zinc/79/40/47/952794047.db2.gz FCCSTJFAAJFDGO-KPFFTGBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cc(C)no3)C[C@@]2(C)C1 ZINC001091748195 952794052 /nfs/dbraw/zinc/79/40/52/952794052.db2.gz FCCSTJFAAJFDGO-KPFFTGBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cc(C)no3)C[C@@]2(C)C1 ZINC001091748195 952794057 /nfs/dbraw/zinc/79/40/57/952794057.db2.gz FCCSTJFAAJFDGO-KPFFTGBYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](OCC)C1 ZINC001087060107 953202980 /nfs/dbraw/zinc/20/29/80/953202980.db2.gz NWWIESRLFXAJBQ-HSALFYBXSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC2CCCC2)[C@H](OCC)C1 ZINC001087060107 953202981 /nfs/dbraw/zinc/20/29/81/953202981.db2.gz NWWIESRLFXAJBQ-HSALFYBXSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2c(C)noc2C)C[C@H]1C ZINC001092688799 956192602 /nfs/dbraw/zinc/19/26/02/956192602.db2.gz AQWOEYLOTHESHR-BJZITVGISA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2c(C)noc2C)C[C@H]1C ZINC001092688799 956192606 /nfs/dbraw/zinc/19/26/06/956192606.db2.gz AQWOEYLOTHESHR-BJZITVGISA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1C ZINC001092688799 956192608 /nfs/dbraw/zinc/19/26/08/956192608.db2.gz AQWOEYLOTHESHR-BJZITVGISA-N 2 1 358.486 1.573 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2c(C)noc2C)C[C@H]1C ZINC001092688799 956192611 /nfs/dbraw/zinc/19/26/11/956192611.db2.gz AQWOEYLOTHESHR-BJZITVGISA-N 2 1 358.486 1.573 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842627 956471267 /nfs/dbraw/zinc/47/12/67/956471267.db2.gz HUIGWRRXZKRICH-HCBQETRLSA-N 2 1 353.894 1.286 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842627 956471269 /nfs/dbraw/zinc/47/12/69/956471269.db2.gz HUIGWRRXZKRICH-HCBQETRLSA-N 2 1 353.894 1.286 20 30 FDEDMP C=C(Cl)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001092842627 956471272 /nfs/dbraw/zinc/47/12/72/956471272.db2.gz HUIGWRRXZKRICH-HCBQETRLSA-N 2 1 353.894 1.286 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193073 957750322 /nfs/dbraw/zinc/75/03/22/957750322.db2.gz CIDWYQUCAVYOIM-ZTFGCOKTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193073 957750328 /nfs/dbraw/zinc/75/03/28/957750328.db2.gz CIDWYQUCAVYOIM-ZTFGCOKTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193073 957750333 /nfs/dbraw/zinc/75/03/33/957750333.db2.gz CIDWYQUCAVYOIM-ZTFGCOKTSA-N 2 1 358.461 1.833 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nccn3CC)C[C@H]2C)CC1 ZINC001093222092 957848480 /nfs/dbraw/zinc/84/84/80/957848480.db2.gz HFKBPUDPHXZHQZ-IEBWSBKVSA-N 2 1 371.529 1.432 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nccn3CC)C[C@H]2C)CC1 ZINC001093222092 957848491 /nfs/dbraw/zinc/84/84/91/957848491.db2.gz HFKBPUDPHXZHQZ-IEBWSBKVSA-N 2 1 371.529 1.432 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2conc2CC)[C@H](C)C1 ZINC001093833100 958928374 /nfs/dbraw/zinc/92/83/74/958928374.db2.gz ROJKGUIKNDFDBI-MDZRGWNJSA-N 2 1 358.486 1.519 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2conc2CC)[C@H](C)C1 ZINC001093833100 958928377 /nfs/dbraw/zinc/92/83/77/958928377.db2.gz ROJKGUIKNDFDBI-MDZRGWNJSA-N 2 1 358.486 1.519 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](CCCC)C(N)=O)CC1 ZINC001110152065 959524949 /nfs/dbraw/zinc/52/49/49/959524949.db2.gz HSPDUXAAJLJDJF-YDZRNGNQSA-N 2 1 374.529 1.097 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](CCCC)C(N)=O)CC1 ZINC001110152065 959524960 /nfs/dbraw/zinc/52/49/60/959524960.db2.gz HSPDUXAAJLJDJF-YDZRNGNQSA-N 2 1 374.529 1.097 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC2CC2)CC1 ZINC001110152233 959532217 /nfs/dbraw/zinc/53/22/17/959532217.db2.gz JZFYXPXKXQPUTM-AABGKKOBSA-N 2 1 359.514 1.480 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474398 960643358 /nfs/dbraw/zinc/64/33/58/960643358.db2.gz XTCUSBJHNNOMFW-LONDADKYSA-N 2 1 359.514 1.787 20 30 FDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474398 960643366 /nfs/dbraw/zinc/64/33/66/960643366.db2.gz XTCUSBJHNNOMFW-LONDADKYSA-N 2 1 359.514 1.787 20 30 FDEDMP C=C(C)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474398 960643372 /nfs/dbraw/zinc/64/33/72/960643372.db2.gz XTCUSBJHNNOMFW-LONDADKYSA-N 2 1 359.514 1.787 20 30 FDEDMP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518083 960944229 /nfs/dbraw/zinc/94/42/29/960944229.db2.gz OIZHJJVZNOTNHD-AJYBTWMASA-N 2 1 351.535 1.994 20 30 FDEDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988772 961870590 /nfs/dbraw/zinc/87/05/90/961870590.db2.gz DHTWZBAAISHKKK-SJORKVTESA-N 2 1 365.522 1.457 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001192977726 969415095 /nfs/dbraw/zinc/41/50/95/969415095.db2.gz JSBPMMCHHZGWLE-BHIYHBOVSA-N 2 1 365.518 1.005 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001192977726 969415102 /nfs/dbraw/zinc/41/51/02/969415102.db2.gz JSBPMMCHHZGWLE-BHIYHBOVSA-N 2 1 365.518 1.005 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC001192977726 969415105 /nfs/dbraw/zinc/41/51/05/969415105.db2.gz JSBPMMCHHZGWLE-BHIYHBOVSA-N 2 1 365.518 1.005 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982240 970584421 /nfs/dbraw/zinc/58/44/21/970584421.db2.gz DRHLGEDHIHUZNY-QRVBRYPASA-N 2 1 351.535 1.993 20 30 FDEDMP Cc1[nH+]ccn1-c1ncccc1C[NH2+]C[C@H](O)CC1(C#N)CCOCC1 ZINC000863551670 973009329 /nfs/dbraw/zinc/00/93/29/973009329.db2.gz PFLOFLHGXXSYPF-QGZVFWFLSA-N 2 1 355.442 1.737 20 30 FDEDMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884227510 983001416 /nfs/dbraw/zinc/00/14/16/983001416.db2.gz RGDSUEQJTKPIPW-KYBDOYODSA-N 2 1 352.482 1.859 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000332141496 983001478 /nfs/dbraw/zinc/00/14/78/983001478.db2.gz KRKUSILJWBLMRB-SJLPKXTDSA-N 2 1 362.518 1.086 20 30 FDEDMP C#CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CC[NH+](C)CC1 ZINC000886575610 986376370 /nfs/dbraw/zinc/37/63/70/986376370.db2.gz BSYPDXLNQBVIEQ-UHFFFAOYSA-N 3 1 374.573 1.739 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)C(=O)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000293211496 987990815 /nfs/dbraw/zinc/99/08/15/987990815.db2.gz BCIMPSIYGJICOK-UHFFFAOYSA-N 2 1 356.470 1.422 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)C(=O)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000293211496 987990818 /nfs/dbraw/zinc/99/08/18/987990818.db2.gz BCIMPSIYGJICOK-UHFFFAOYSA-N 2 1 356.470 1.422 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1C[NH+](CCC)C2 ZINC000293211496 987990821 /nfs/dbraw/zinc/99/08/21/987990821.db2.gz BCIMPSIYGJICOK-UHFFFAOYSA-N 2 1 356.470 1.422 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1C[NH+](CCC)C2 ZINC000293211496 987990825 /nfs/dbraw/zinc/99/08/25/987990825.db2.gz BCIMPSIYGJICOK-UHFFFAOYSA-N 2 1 356.470 1.422 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000363297000 989069477 /nfs/dbraw/zinc/06/94/77/989069477.db2.gz IFHMUNGYHKCUNX-FQEVSTJZSA-N 2 1 372.513 1.971 20 30 FDEDMP C[NH+](C)CCCN(CCC#N)C(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000363297000 989069489 /nfs/dbraw/zinc/06/94/89/989069489.db2.gz IFHMUNGYHKCUNX-FQEVSTJZSA-N 2 1 372.513 1.971 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000297615844 989579505 /nfs/dbraw/zinc/57/95/05/989579505.db2.gz KDGPWVCBMOSQBA-HXUWFJFHSA-N 2 1 372.513 1.355 20 30 FDEDMP CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000125131331 990499090 /nfs/dbraw/zinc/49/90/90/990499090.db2.gz LJHFMQAOMLQBBC-QGZVFWFLSA-N 2 1 362.522 1.157 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000876780992 992907077 /nfs/dbraw/zinc/90/70/77/992907077.db2.gz LLVDRZZOOHVSOK-ROUUACIJSA-N 2 1 364.921 1.951 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000876780992 992907081 /nfs/dbraw/zinc/90/70/81/992907081.db2.gz LLVDRZZOOHVSOK-ROUUACIJSA-N 2 1 364.921 1.951 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000876780992 992907084 /nfs/dbraw/zinc/90/70/84/992907084.db2.gz LLVDRZZOOHVSOK-ROUUACIJSA-N 2 1 364.921 1.951 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979322 992994605 /nfs/dbraw/zinc/99/46/05/992994605.db2.gz AZWLQJFVHGCURQ-XLIONFOSSA-N 2 1 352.482 1.983 20 30 FDEDMP CC(C)C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C(=O)NCC[NH+](C)C ZINC000877126443 993061125 /nfs/dbraw/zinc/06/11/25/993061125.db2.gz KODSFOKLQDLMGQ-HNNXBMFYSA-N 2 1 351.882 1.789 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000264068721 997395859 /nfs/dbraw/zinc/39/58/59/997395859.db2.gz CJZJUNLGJPNGPO-QZTJIDSGSA-N 2 1 373.501 1.693 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270817671 999619037 /nfs/dbraw/zinc/61/90/37/999619037.db2.gz HXSPHMKGNIGRAX-SFTDATJTSA-N 2 1 369.509 1.331 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccncc1OCCC[NH+](C)C ZINC000288668149 1000036540 /nfs/dbraw/zinc/03/65/40/1000036540.db2.gz HHDMKKCSYJQQPZ-KRWDZBQOSA-N 3 1 362.522 1.301 20 30 FDEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000929683711 1002340877 /nfs/dbraw/zinc/34/08/77/1002340877.db2.gz WDNNWLXYAXVNMD-UHFFFAOYSA-N 2 1 357.502 1.869 20 30 FDEDMP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH+](C)CC1 ZINC000931001000 1003756678 /nfs/dbraw/zinc/75/66/78/1003756678.db2.gz SPQFWCVNIVGAEG-QGZVFWFLSA-N 2 1 374.529 1.066 20 30 FDEDMP C[C@@H]1CCCC[N@H+]1CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000305040547 1008601876 /nfs/dbraw/zinc/60/18/76/1008601876.db2.gz VGHBCPFAJCGKAP-HZPDHXFCSA-N 2 1 365.522 1.741 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CN2CCOCC2)cc1 ZINC000303788832 1009583717 /nfs/dbraw/zinc/58/37/17/1009583717.db2.gz UUESGEYBNBDNJE-LJQANCHMSA-N 2 1 359.518 1.407 20 30 FDEDMP Cn1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc1C#N ZINC000190985878 178034519 /nfs/dbraw/zinc/03/45/19/178034519.db2.gz HFBWQCGPXKRLEY-IBGZPJMESA-N 2 1 365.481 1.884 20 30 FDEDMP CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000368435406 260182850 /nfs/dbraw/zinc/18/28/50/260182850.db2.gz LPUSDWBHMIHGLX-IBGZPJMESA-N 2 1 355.486 1.868 20 30 FDEDMP CN(C(=O)NCc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368435406 260182851 /nfs/dbraw/zinc/18/28/51/260182851.db2.gz LPUSDWBHMIHGLX-IBGZPJMESA-N 2 1 355.486 1.868 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000074130038 522688614 /nfs/dbraw/zinc/68/86/14/522688614.db2.gz AVQXHGWVQHZIBT-SFHVURJKSA-N 2 1 365.566 1.600 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CC1 ZINC000246849861 537038765 /nfs/dbraw/zinc/03/87/65/537038765.db2.gz TYUNRJYRXVFACJ-SFTDATJTSA-N 2 1 369.509 1.331 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc2ccc(C(F)(F)F)cn21 ZINC000264149487 537138868 /nfs/dbraw/zinc/13/88/68/537138868.db2.gz YTMWOLTZQWGWEX-LBPRGKRZSA-N 2 1 369.395 1.637 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000375901821 537796409 /nfs/dbraw/zinc/79/64/09/537796409.db2.gz LHRPASOEVBSDOV-PMACEKPBSA-N 2 1 372.513 1.398 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3C#N)C2)CC1 ZINC000377888100 538038916 /nfs/dbraw/zinc/03/89/16/538038916.db2.gz OJGPGOYRIGGXFO-IBGZPJMESA-N 2 1 369.513 1.987 20 30 FDEDMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)C1 ZINC000564843650 547063772 /nfs/dbraw/zinc/06/37/72/547063772.db2.gz DVWWMMQIHMYQNZ-MRXNPFEDSA-N 2 1 364.515 1.829 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2)C[C@@H](C)O1 ZINC000565954290 547546081 /nfs/dbraw/zinc/54/60/81/547546081.db2.gz LLDKBOZJAXOIND-JXXFODFXSA-N 2 1 358.486 1.869 20 30 FDEDMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1(C)C ZINC000567700813 548219365 /nfs/dbraw/zinc/21/93/65/548219365.db2.gz RRGFENCKKXBYGN-SFHVURJKSA-N 2 1 360.502 1.108 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000573370014 550122025 /nfs/dbraw/zinc/12/20/25/550122025.db2.gz RAXJKTKYVLDUGK-UHFFFAOYSA-N 2 1 354.376 1.831 20 30 FDEDMP N#Cc1cnccc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910000 552632044 /nfs/dbraw/zinc/63/20/44/552632044.db2.gz FVVKABVAUVGLLY-MRXNPFEDSA-N 2 1 351.458 1.466 20 30 FDEDMP N#Cc1cnccc1C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595910000 552632045 /nfs/dbraw/zinc/63/20/45/552632045.db2.gz FVVKABVAUVGLLY-MRXNPFEDSA-N 2 1 351.458 1.466 20 30 FDEDMP C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625467752 556816436 /nfs/dbraw/zinc/81/64/36/556816436.db2.gz AHNORMAAGUIONK-KRWDZBQOSA-N 2 1 364.534 1.332 20 30 FDEDMP C=CC(C)(C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625467752 556816438 /nfs/dbraw/zinc/81/64/38/556816438.db2.gz AHNORMAAGUIONK-KRWDZBQOSA-N 2 1 364.534 1.332 20 30 FDEDMP C[NH+]=C(NCc1nncn1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000081984552 671470089 /nfs/dbraw/zinc/47/00/89/671470089.db2.gz ABHZXAXKMXGOPB-BBRMVZONSA-N 2 1 361.519 1.625 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000104156677 671594392 /nfs/dbraw/zinc/59/43/92/671594392.db2.gz QICNNKZRYJTMBF-OAHLLOKOSA-N 2 1 353.511 1.776 20 30 FDEDMP CN1CC[N@@H+](CCCNC(=[NH2+])N2CCSCC2)[C@H](c2ccccc2)C1 ZINC000104169381 671594608 /nfs/dbraw/zinc/59/46/08/671594608.db2.gz VHHMMJVUIDMYMZ-SFHVURJKSA-N 2 1 361.559 1.729 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=[NH2+])N2CCSCC2)[C@H](c2ccccc2)C1 ZINC000104169381 671594613 /nfs/dbraw/zinc/59/46/13/671594613.db2.gz VHHMMJVUIDMYMZ-SFHVURJKSA-N 2 1 361.559 1.729 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178566100 672143608 /nfs/dbraw/zinc/14/36/08/672143608.db2.gz HCWIFCSRMDIEES-CABCVRRESA-N 2 1 353.511 1.775 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261686237 672650765 /nfs/dbraw/zinc/65/07/65/672650765.db2.gz IBGLQXIBIAPSGM-MDZRGWNJSA-N 2 1 352.523 1.420 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1CC[C@@]2(CCOC2)C1 ZINC000261947552 672699765 /nfs/dbraw/zinc/69/97/65/672699765.db2.gz GJDAITPWVNYCFV-IEBWSBKVSA-N 2 1 352.523 1.421 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1CCC(C(=O)OC)CC1 ZINC000262524225 672803045 /nfs/dbraw/zinc/80/30/45/672803045.db2.gz FYAGOUCDZHXHOM-OAHLLOKOSA-N 2 1 352.523 1.957 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)c1cccc(Br)c1 ZINC000283149987 675649299 /nfs/dbraw/zinc/64/92/99/675649299.db2.gz YWSRBQKHSJZEBZ-LSDHHAIUSA-N 2 1 369.307 1.871 20 30 FDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000328920891 676612085 /nfs/dbraw/zinc/61/20/85/676612085.db2.gz BICJYVZYXPDNGA-SFHVURJKSA-N 2 1 351.539 1.390 20 30 FDEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CC1 ZINC000328977631 676614661 /nfs/dbraw/zinc/61/46/61/676614661.db2.gz QNPSFVDZDZMMGC-SCTDSRPQSA-N 2 1 353.507 1.679 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472614 676868229 /nfs/dbraw/zinc/86/82/29/676868229.db2.gz LTKWTTUYLDRSCD-IEBWSBKVSA-N 2 1 350.551 1.900 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377266889 678501269 /nfs/dbraw/zinc/50/12/69/678501269.db2.gz MWZIPZZOTWQTAK-QGZVFWFLSA-N 2 1 350.551 1.805 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@H+](CCO)C[C@H]1C)C(C)C ZINC000457744622 683783184 /nfs/dbraw/zinc/78/31/84/683783184.db2.gz KSYMHDBZZVOWCZ-QZTJIDSGSA-N 2 1 352.523 1.393 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](CCO)C[C@H]1C)C(C)C ZINC000457744622 683783187 /nfs/dbraw/zinc/78/31/87/683783187.db2.gz KSYMHDBZZVOWCZ-QZTJIDSGSA-N 2 1 352.523 1.393 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104287662 773065460 /nfs/dbraw/zinc/06/54/60/773065460.db2.gz JKQBSXMSLNSORA-VAMGGRTRSA-N 2 1 363.546 1.688 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001104306093 774439678 /nfs/dbraw/zinc/43/96/78/774439678.db2.gz KGXXSVBWXYCASD-POAQFYNOSA-N 2 1 371.529 1.400 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)n(C)n2)C1 ZINC001104306093 774439681 /nfs/dbraw/zinc/43/96/81/774439681.db2.gz KGXXSVBWXYCASD-POAQFYNOSA-N 2 1 371.529 1.400 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)CC[N@H+]1C ZINC000978176440 805254187 /nfs/dbraw/zinc/25/41/87/805254187.db2.gz GBEKJHCTYCDVLI-CBFGRJNTSA-N 2 1 352.482 1.692 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC[NH+]1C ZINC000978176440 805254193 /nfs/dbraw/zinc/25/41/93/805254193.db2.gz GBEKJHCTYCDVLI-CBFGRJNTSA-N 2 1 352.482 1.692 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)CC[NH+]1C ZINC000978176440 805254196 /nfs/dbraw/zinc/25/41/96/805254196.db2.gz GBEKJHCTYCDVLI-CBFGRJNTSA-N 2 1 352.482 1.692 20 30 FDEDMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978183184 805263016 /nfs/dbraw/zinc/26/30/16/805263016.db2.gz UENZBEKJOLWOHH-UEDWAMCQSA-N 2 1 359.514 1.051 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)s4)C[C@H]32)CC[N@H+]1C ZINC000978185636 805285206 /nfs/dbraw/zinc/28/52/06/805285206.db2.gz WAGPVEQRROWFPE-YXWSMURKSA-N 2 1 358.511 1.754 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)s4)C[C@H]32)CC[NH+]1C ZINC000978185636 805285212 /nfs/dbraw/zinc/28/52/12/805285212.db2.gz WAGPVEQRROWFPE-YXWSMURKSA-N 2 1 358.511 1.754 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)s4)C[C@H]32)CC[NH+]1C ZINC000978185636 805285221 /nfs/dbraw/zinc/28/52/21/805285221.db2.gz WAGPVEQRROWFPE-YXWSMURKSA-N 2 1 358.511 1.754 20 30 FDEDMP N#CCCC[C@H]([NH3+])C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000424169764 815322396 /nfs/dbraw/zinc/32/23/96/815322396.db2.gz ALXXRGRURYQZLB-SFHVURJKSA-N 2 1 359.474 1.154 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cc(C#N)ccc3F)C2)CC[N@H+]1C ZINC001028551014 810624256 /nfs/dbraw/zinc/62/42/56/810624256.db2.gz XJNDHASKHCUIBD-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cc(C#N)ccc3F)C2)CC[NH+]1C ZINC001028551014 810624262 /nfs/dbraw/zinc/62/42/62/810624262.db2.gz XJNDHASKHCUIBD-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC[NH+]1C ZINC001028551014 810624267 /nfs/dbraw/zinc/62/42/67/810624267.db2.gz XJNDHASKHCUIBD-UWWQBHOKSA-N 2 1 358.461 1.976 20 30 FDEDMP C[NH+]=C(NCc1ncc(C(C)(C)C)o1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261823622 813663411 /nfs/dbraw/zinc/66/34/11/813663411.db2.gz USGKNIJBQSCKON-HNNXBMFYSA-N 2 1 363.506 1.702 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000515055564 816084778 /nfs/dbraw/zinc/08/47/78/816084778.db2.gz WYJXPBZNRXNGAV-KRWDZBQOSA-N 2 1 358.442 1.104 20 30 FDEDMP C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001087475971 818349112 /nfs/dbraw/zinc/34/91/12/818349112.db2.gz MADBMSNXXWBMAT-QMMLZNLJSA-N 2 1 369.509 1.944 20 30 FDEDMP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)nc2)C1 ZINC000328933812 819583044 /nfs/dbraw/zinc/58/30/44/819583044.db2.gz IRVMHKMDUJNCKK-IAGOWNOFSA-N 2 1 358.490 1.200 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)[C@@H]2CC)CC1 ZINC001087840189 822559281 /nfs/dbraw/zinc/55/92/81/822559281.db2.gz LNXZHTAEMJQYDJ-RBUKOAKNSA-N 2 1 357.502 1.234 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccnn3C)[C@@H]2CC)CC1 ZINC001087840189 822559282 /nfs/dbraw/zinc/55/92/82/822559282.db2.gz LNXZHTAEMJQYDJ-RBUKOAKNSA-N 2 1 357.502 1.234 20 30 FDEDMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000329961692 825568386 /nfs/dbraw/zinc/56/83/86/825568386.db2.gz RSXYSWBNNFXYSO-HOTGVXAUSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCc2nccn2C1 ZINC000329961692 825568392 /nfs/dbraw/zinc/56/83/92/825568392.db2.gz RSXYSWBNNFXYSO-HOTGVXAUSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961692 825568398 /nfs/dbraw/zinc/56/83/98/825568398.db2.gz RSXYSWBNNFXYSO-HOTGVXAUSA-N 2 1 361.490 1.545 20 30 FDEDMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C([O-])=[NH+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000329961692 825568402 /nfs/dbraw/zinc/56/84/02/825568402.db2.gz RSXYSWBNNFXYSO-HOTGVXAUSA-N 2 1 361.490 1.545 20 30 FDEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262346155 825573296 /nfs/dbraw/zinc/57/32/96/825573296.db2.gz AIZVIEAGVGVCQX-XDNAFOTISA-N 2 1 366.550 1.712 20 30 FDEDMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000330327431 825917636 /nfs/dbraw/zinc/91/76/36/825917636.db2.gz KXRCXYLDCIRRRV-VDZJLULYSA-N 2 1 374.533 1.886 20 30 FDEDMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000330327431 825917639 /nfs/dbraw/zinc/91/76/39/825917639.db2.gz KXRCXYLDCIRRRV-VDZJLULYSA-N 2 1 374.533 1.886 20 30 FDEDMP CN(C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000330327431 825917640 /nfs/dbraw/zinc/91/76/40/825917640.db2.gz KXRCXYLDCIRRRV-VDZJLULYSA-N 2 1 374.533 1.886 20 30 FDEDMP C[C@H]1CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000897429000 833164979 /nfs/dbraw/zinc/16/49/79/833164979.db2.gz XPESKFYWEHAGDE-KRWDZBQOSA-N 2 1 357.502 1.973 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(F)ccc4C#N)CC[C@@H]3C2)C1 ZINC001088199661 827431002 /nfs/dbraw/zinc/43/10/02/827431002.db2.gz YEGFQEHGKKINQJ-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4cc(F)ccc4C#N)CC[C@@H]3C2)C1 ZINC001088199661 827431007 /nfs/dbraw/zinc/43/10/07/827431007.db2.gz YEGFQEHGKKINQJ-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(F)ccc4C#N)CC[C@@H]3C2)C1 ZINC001088199661 827431014 /nfs/dbraw/zinc/43/10/14/827431014.db2.gz YEGFQEHGKKINQJ-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cc(F)ccc4C#N)CC[C@@H]3C2)C1 ZINC001088199661 827431021 /nfs/dbraw/zinc/43/10/21/827431021.db2.gz YEGFQEHGKKINQJ-LMMKCTJWSA-N 2 1 370.472 1.929 20 30 FDEDMP C=C(Br)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200969 827441958 /nfs/dbraw/zinc/44/19/58/827441958.db2.gz DLBAIHWSWDEOLF-CABCVRRESA-N 2 1 356.308 1.771 20 30 FDEDMP C=C(Br)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001088200969 827441964 /nfs/dbraw/zinc/44/19/64/827441964.db2.gz DLBAIHWSWDEOLF-CABCVRRESA-N 2 1 356.308 1.771 20 30 FDEDMP C[NH+]=C(NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)N1CCC(O)CC1 ZINC000262752952 831263623 /nfs/dbraw/zinc/26/36/23/831263623.db2.gz CHWQKDBXVBTNHD-UHFFFAOYSA-N 2 1 363.506 1.536 20 30 FDEDMP N#CCOc1ccc(C[N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)cc1 ZINC001076572636 848445729 /nfs/dbraw/zinc/44/57/29/848445729.db2.gz DICWRLNKWUJBJE-AZUAARDMSA-N 2 1 368.481 1.717 20 30 FDEDMP C#CCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000913893297 869935872 /nfs/dbraw/zinc/93/58/72/869935872.db2.gz NTFKAFORZOEVRL-LJQANCHMSA-N 2 1 354.498 2.000 20 30 FDEDMP C=CCN1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001034648026 884614796 /nfs/dbraw/zinc/61/47/96/884614796.db2.gz UYJZKNQOBGPIQK-ZKXLYKBJSA-N 2 1 362.518 1.131 20 30 FDEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989005 884803161 /nfs/dbraw/zinc/80/31/61/884803161.db2.gz JPDWLSGPIWKZFC-SQNIBIBYSA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989005 884803183 /nfs/dbraw/zinc/80/31/83/884803183.db2.gz JPDWLSGPIWKZFC-SQNIBIBYSA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001128989005 884803211 /nfs/dbraw/zinc/80/32/11/884803211.db2.gz JPDWLSGPIWKZFC-SQNIBIBYSA-N 2 1 360.506 1.459 20 30 FDEDMP C[NH+]1CCC(CNC(=O)N2CCC(F)(C#N)CC2)(N2CCCCC2)CC1 ZINC000498404376 884917661 /nfs/dbraw/zinc/91/76/61/884917661.db2.gz ZVGBKSHWJBNXHU-UHFFFAOYSA-N 2 1 365.497 1.974 20 30 FDEDMP C#CCN(C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000921493625 888038520 /nfs/dbraw/zinc/03/85/20/888038520.db2.gz SHWVKQYBLOIRPN-MOPGFXCFSA-N 2 1 362.518 1.369 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999985821 896515560 /nfs/dbraw/zinc/51/55/60/896515560.db2.gz FNOYBQAETUTAMW-VNQPRFMTSA-N 2 1 366.897 1.234 20 30 FDEDMP C=C(Cl)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)nn2)C1 ZINC000999985821 896515564 /nfs/dbraw/zinc/51/55/64/896515564.db2.gz FNOYBQAETUTAMW-VNQPRFMTSA-N 2 1 366.897 1.234 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985821 896515572 /nfs/dbraw/zinc/51/55/72/896515572.db2.gz FNOYBQAETUTAMW-VNQPRFMTSA-N 2 1 366.897 1.234 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999985821 896515578 /nfs/dbraw/zinc/51/55/78/896515578.db2.gz FNOYBQAETUTAMW-VNQPRFMTSA-N 2 1 366.897 1.234 20 30 FDEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999987538 896521001 /nfs/dbraw/zinc/52/10/01/896521001.db2.gz PLWCSOFAOHLZFT-OKZBNKHCSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999987538 896521013 /nfs/dbraw/zinc/52/10/13/896521013.db2.gz PLWCSOFAOHLZFT-OKZBNKHCSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999987538 896521025 /nfs/dbraw/zinc/52/10/25/896521025.db2.gz PLWCSOFAOHLZFT-OKZBNKHCSA-N 2 1 360.506 1.448 20 30 FDEDMP C#CCC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107516 896967074 /nfs/dbraw/zinc/96/70/74/896967074.db2.gz SKFRMUDFVYDIDL-BHIYHBOVSA-N 2 1 369.513 1.230 20 30 FDEDMP C=CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079129831 901938093 /nfs/dbraw/zinc/93/80/93/901938093.db2.gz JMGQFAYIDATMEB-VAMGGRTRSA-N 2 1 357.498 1.731 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129831 901938104 /nfs/dbraw/zinc/93/81/04/901938104.db2.gz JMGQFAYIDATMEB-VAMGGRTRSA-N 2 1 357.498 1.731 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001079129831 901938106 /nfs/dbraw/zinc/93/81/06/901938106.db2.gz JMGQFAYIDATMEB-VAMGGRTRSA-N 2 1 357.498 1.731 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001079146698 901966954 /nfs/dbraw/zinc/96/69/54/901966954.db2.gz BKMHTSAOLUUOLS-XUVXKRRUSA-N 2 1 357.498 1.588 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079146698 901966955 /nfs/dbraw/zinc/96/69/55/901966955.db2.gz BKMHTSAOLUUOLS-XUVXKRRUSA-N 2 1 357.498 1.588 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001079146698 901966959 /nfs/dbraw/zinc/96/69/59/901966959.db2.gz BKMHTSAOLUUOLS-XUVXKRRUSA-N 2 1 357.498 1.588 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079211233 902164084 /nfs/dbraw/zinc/16/40/84/902164084.db2.gz XQKDPOCWFPQUBJ-OTWHNJEPSA-N 2 1 361.461 1.616 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079211233 902164090 /nfs/dbraw/zinc/16/40/90/902164090.db2.gz XQKDPOCWFPQUBJ-OTWHNJEPSA-N 2 1 361.461 1.616 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCC=C)CC2 ZINC001107439900 904923060 /nfs/dbraw/zinc/92/30/60/904923060.db2.gz ZDFYZDGTICRAAW-QKNQBKEWSA-N 2 1 359.514 1.647 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCC=C)CC2 ZINC001107439900 904923062 /nfs/dbraw/zinc/92/30/62/904923062.db2.gz ZDFYZDGTICRAAW-QKNQBKEWSA-N 2 1 359.514 1.647 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOCC=C)CC2 ZINC001107439900 904923068 /nfs/dbraw/zinc/92/30/68/904923068.db2.gz ZDFYZDGTICRAAW-QKNQBKEWSA-N 2 1 359.514 1.647 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOCC=C)CC2 ZINC001107439900 904923072 /nfs/dbraw/zinc/92/30/72/904923072.db2.gz ZDFYZDGTICRAAW-QKNQBKEWSA-N 2 1 359.514 1.647 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C(C)C)nc2C)C1 ZINC001082568775 908713298 /nfs/dbraw/zinc/71/32/98/908713298.db2.gz RBUTXUBLNKAWJK-AHRSYUTCSA-N 2 1 371.529 1.807 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cn(C(C)C)nc2C)C1 ZINC001082568775 908713308 /nfs/dbraw/zinc/71/33/08/908713308.db2.gz RBUTXUBLNKAWJK-AHRSYUTCSA-N 2 1 371.529 1.807 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082702946 909626018 /nfs/dbraw/zinc/62/60/18/909626018.db2.gz QELGWHVJGXBTNW-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001082702946 909626020 /nfs/dbraw/zinc/62/60/20/909626020.db2.gz QELGWHVJGXBTNW-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000730283829 916468370 /nfs/dbraw/zinc/46/83/70/916468370.db2.gz VLBHANDLTISQSY-KRWDZBQOSA-N 2 1 359.470 1.349 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000730283829 916468381 /nfs/dbraw/zinc/46/83/81/916468381.db2.gz VLBHANDLTISQSY-KRWDZBQOSA-N 2 1 359.470 1.349 20 30 FDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326846 926189710 /nfs/dbraw/zinc/18/97/10/926189710.db2.gz NEDKXRQHFHZQGV-MSOLQXFVSA-N 2 1 360.506 1.155 20 30 FDEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326846 926189712 /nfs/dbraw/zinc/18/97/12/926189712.db2.gz NEDKXRQHFHZQGV-MSOLQXFVSA-N 2 1 360.506 1.155 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326846 926189717 /nfs/dbraw/zinc/18/97/17/926189717.db2.gz NEDKXRQHFHZQGV-MSOLQXFVSA-N 2 1 360.506 1.155 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129326846 926189723 /nfs/dbraw/zinc/18/97/23/926189723.db2.gz NEDKXRQHFHZQGV-MSOLQXFVSA-N 2 1 360.506 1.155 20 30 FDEDMP C=CC[NH+](CC=C)CCN1CC[NH+]([C@@H]2CC[C@H](C(=O)OCC)OC2)CC1 ZINC001169418747 928569288 /nfs/dbraw/zinc/56/92/88/928569288.db2.gz OQAQZPDDBLLCKG-RTBURBONSA-N 2 1 365.518 1.389 20 30 FDEDMP COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)cc1C#N ZINC001109670265 930102502 /nfs/dbraw/zinc/10/25/02/930102502.db2.gz UMGSASUYBTZOTR-SQNIBIBYSA-N 2 1 356.470 1.740 20 30 FDEDMP COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+](C)C)C3)cc1C#N ZINC001109670265 930102509 /nfs/dbraw/zinc/10/25/09/930102509.db2.gz UMGSASUYBTZOTR-SQNIBIBYSA-N 2 1 356.470 1.740 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799047 930439282 /nfs/dbraw/zinc/43/92/82/930439282.db2.gz GMIDPTXILRQOIJ-RANZSIQMSA-N 2 1 362.518 1.131 20 30 FDEDMP C=CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799047 930439311 /nfs/dbraw/zinc/43/93/11/930439311.db2.gz GMIDPTXILRQOIJ-RANZSIQMSA-N 2 1 362.518 1.131 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902445 930718152 /nfs/dbraw/zinc/71/81/52/930718152.db2.gz JIADVNDLSFLAQF-NJAFHUGGSA-N 2 1 351.491 1.021 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112545734 931432789 /nfs/dbraw/zinc/43/27/89/931432789.db2.gz AKNRBKLMDCJFIP-WMZOPIPTSA-N 2 1 355.910 1.680 20 30 FDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCCC[NH+]1CCOCC1)C2 ZINC001112545852 931433745 /nfs/dbraw/zinc/43/37/45/931433745.db2.gz HWEOSDQWRBHCOE-FPOVZHCZSA-N 2 1 361.530 1.731 20 30 FDEDMP C[NH+](C)CC#CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC001170994158 945106207 /nfs/dbraw/zinc/10/62/07/945106207.db2.gz WTVJOQKOPHAPNJ-TZIWHRDSSA-N 2 1 355.482 1.206 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433545 938423560 /nfs/dbraw/zinc/42/35/60/938423560.db2.gz GCDKPNNZYJBKQD-UAGQMJEPSA-N 2 1 357.462 1.179 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](n2ccnn2)C1 ZINC001129433545 938423562 /nfs/dbraw/zinc/42/35/62/938423562.db2.gz GCDKPNNZYJBKQD-UAGQMJEPSA-N 2 1 357.462 1.179 20 30 FDEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001086625216 938511501 /nfs/dbraw/zinc/51/15/01/938511501.db2.gz PEDPNIMNUFDDRP-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[NH+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001086625216 938511504 /nfs/dbraw/zinc/51/15/04/938511504.db2.gz PEDPNIMNUFDDRP-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001086625216 938511506 /nfs/dbraw/zinc/51/15/06/938511506.db2.gz PEDPNIMNUFDDRP-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001086625216 938511510 /nfs/dbraw/zinc/51/15/10/938511510.db2.gz PEDPNIMNUFDDRP-XUVXKRRUSA-N 2 1 357.498 1.867 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@@H]1n1ccnn1 ZINC001130137020 938709711 /nfs/dbraw/zinc/70/97/11/938709711.db2.gz FFYFMPAFVJFAIA-KURKYZTESA-N 2 1 360.506 1.460 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819024749 943406860 /nfs/dbraw/zinc/40/68/60/943406860.db2.gz UOCNKMKKHRVCGO-GOSISDBHSA-N 2 1 352.500 1.754 20 30 FDEDMP C=CC[NH+](CC=C)CCN1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC001144641876 950293068 /nfs/dbraw/zinc/29/30/68/950293068.db2.gz IMBMYZPKKKAEBT-UHFFFAOYSA-N 2 1 354.502 1.760 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087100316 953270576 /nfs/dbraw/zinc/27/05/76/953270576.db2.gz PJCZIRBXFPXTSI-VAMGGRTRSA-N 2 1 370.497 1.463 20 30 FDEDMP C#CCC[N@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@]2(C)C1 ZINC001092014935 954059721 /nfs/dbraw/zinc/05/97/21/954059721.db2.gz HDVBQJXFBCKCCD-UZLBHIALSA-N 2 1 356.470 1.688 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)c3cc(C[NH+]4CCCC4)on3)C[C@]2(C)C1 ZINC001092014935 954059732 /nfs/dbraw/zinc/05/97/32/954059732.db2.gz HDVBQJXFBCKCCD-UZLBHIALSA-N 2 1 356.470 1.688 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC001092689886 956197572 /nfs/dbraw/zinc/19/75/72/956197572.db2.gz QILRRMZQLFFALG-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnc(C)cn2)C[C@H]1C ZINC001092689886 956197574 /nfs/dbraw/zinc/19/75/74/956197574.db2.gz QILRRMZQLFFALG-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnc(C)cn2)C[C@H]1C ZINC001092689886 956197580 /nfs/dbraw/zinc/19/75/80/956197580.db2.gz QILRRMZQLFFALG-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnc(C)cn2)C[C@H]1C ZINC001092689886 956197585 /nfs/dbraw/zinc/19/75/85/956197585.db2.gz QILRRMZQLFFALG-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001092689975 956199554 /nfs/dbraw/zinc/19/95/54/956199554.db2.gz WAUIAYJMBYTMCM-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cccc(OC)c2)C[C@H]1C ZINC001092689975 956199573 /nfs/dbraw/zinc/19/95/73/956199573.db2.gz WAUIAYJMBYTMCM-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(OC)c2)C[C@H]1C ZINC001092689975 956199574 /nfs/dbraw/zinc/19/95/74/956199574.db2.gz WAUIAYJMBYTMCM-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cccc(OC)c2)C[C@H]1C ZINC001092689975 956199579 /nfs/dbraw/zinc/19/95/79/956199579.db2.gz WAUIAYJMBYTMCM-QFUCXCTJSA-N 2 1 369.509 1.977 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093193072 957749726 /nfs/dbraw/zinc/74/97/26/957749726.db2.gz CIDWYQUCAVYOIM-FHLIZLRMSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193072 957749729 /nfs/dbraw/zinc/74/97/29/957749729.db2.gz CIDWYQUCAVYOIM-FHLIZLRMSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)c(F)c2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193072 957749733 /nfs/dbraw/zinc/74/97/33/957749733.db2.gz CIDWYQUCAVYOIM-FHLIZLRMSA-N 2 1 358.461 1.833 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001093213268 957831217 /nfs/dbraw/zinc/83/12/17/957831217.db2.gz XZZKRJQBNUMLAL-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001093213268 957831230 /nfs/dbraw/zinc/83/12/30/957831230.db2.gz XZZKRJQBNUMLAL-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001093213268 957831247 /nfs/dbraw/zinc/83/12/47/957831247.db2.gz XZZKRJQBNUMLAL-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2C)C1 ZINC001093213268 957831253 /nfs/dbraw/zinc/83/12/53/957831253.db2.gz XZZKRJQBNUMLAL-NSISKUIASA-N 2 1 370.497 1.463 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2C)CC1 ZINC001093223529 957853217 /nfs/dbraw/zinc/85/32/17/957853217.db2.gz AYCICANGPXKTRD-QWFCFKBJSA-N 2 1 361.530 1.442 20 30 FDEDMP C#CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474059 960643472 /nfs/dbraw/zinc/64/34/72/960643472.db2.gz JNYLOFSYLYYHRA-LONDADKYSA-N 2 1 357.498 1.234 20 30 FDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474059 960643483 /nfs/dbraw/zinc/64/34/83/960643483.db2.gz JNYLOFSYLYYHRA-LONDADKYSA-N 2 1 357.498 1.234 20 30 FDEDMP C#CCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC001094474059 960643491 /nfs/dbraw/zinc/64/34/91/960643491.db2.gz JNYLOFSYLYYHRA-LONDADKYSA-N 2 1 357.498 1.234 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326243 965191311 /nfs/dbraw/zinc/19/13/11/965191311.db2.gz KKRJFEMCRNFJDK-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187326243 965191321 /nfs/dbraw/zinc/19/13/21/965191321.db2.gz KKRJFEMCRNFJDK-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187326243 965191328 /nfs/dbraw/zinc/19/13/28/965191328.db2.gz KKRJFEMCRNFJDK-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187326243 965191348 /nfs/dbraw/zinc/19/13/48/965191348.db2.gz KKRJFEMCRNFJDK-RCCFBDPRSA-N 2 1 362.518 1.038 20 30 FDEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189127507 966782156 /nfs/dbraw/zinc/78/21/56/966782156.db2.gz WSDWDSKOIIHIAP-SQGPQFPESA-N 2 1 365.493 1.381 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189127507 966782160 /nfs/dbraw/zinc/78/21/60/966782160.db2.gz WSDWDSKOIIHIAP-SQGPQFPESA-N 2 1 365.493 1.381 20 30 FDEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189127507 966782169 /nfs/dbraw/zinc/78/21/69/966782169.db2.gz WSDWDSKOIIHIAP-SQGPQFPESA-N 2 1 365.493 1.381 20 30 FDEDMP COCC#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189127507 966782179 /nfs/dbraw/zinc/78/21/79/966782179.db2.gz WSDWDSKOIIHIAP-SQGPQFPESA-N 2 1 365.493 1.381 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189484247 967028853 /nfs/dbraw/zinc/02/88/53/967028853.db2.gz FSPPFWUPFZCSQR-ZWKOTPCHSA-N 2 1 362.518 1.062 20 30 FDEDMP CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000852871884 967678024 /nfs/dbraw/zinc/67/80/24/967678024.db2.gz DECFWWUSYFOSSS-SFTDATJTSA-N 2 1 369.509 1.785 20 30 FDEDMP CC[C@H](NC(=O)C#CC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000852871884 967678031 /nfs/dbraw/zinc/67/80/31/967678031.db2.gz DECFWWUSYFOSSS-SFTDATJTSA-N 2 1 369.509 1.785 20 30 FDEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000852887257 967690553 /nfs/dbraw/zinc/69/05/53/967690553.db2.gz JLAXVGHZKCDMNW-FQEVSTJZSA-N 2 1 355.482 1.397 20 30 FDEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000852893673 967693886 /nfs/dbraw/zinc/69/38/86/967693886.db2.gz ZGOXLFGFTMINKJ-UHFFFAOYSA-N 2 1 369.513 1.586 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480598 967860329 /nfs/dbraw/zinc/86/03/29/967860329.db2.gz FKHNAWBPSMJSST-ZWKOTPCHSA-N 2 1 362.518 1.087 20 30 FDEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190480598 967860341 /nfs/dbraw/zinc/86/03/41/967860341.db2.gz FKHNAWBPSMJSST-ZWKOTPCHSA-N 2 1 362.518 1.087 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667775 967992041 /nfs/dbraw/zinc/99/20/41/967992041.db2.gz KHVBTKPKOSEPEI-FTEYMNFISA-N 2 1 374.529 1.249 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C1CC1)[NH+](C)C)C2 ZINC001110667775 967992050 /nfs/dbraw/zinc/99/20/50/967992050.db2.gz KHVBTKPKOSEPEI-FTEYMNFISA-N 2 1 374.529 1.249 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001194982239 970583175 /nfs/dbraw/zinc/58/31/75/970583175.db2.gz DRHLGEDHIHUZNY-GUDVDZBRSA-N 2 1 351.535 1.993 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698628 973376808 /nfs/dbraw/zinc/37/68/08/973376808.db2.gz CHGQOKDDMOGBLH-RCCFBDPRSA-N 2 1 355.523 1.086 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746434 982034205 /nfs/dbraw/zinc/03/42/05/982034205.db2.gz MYYXJMZRNAIWPM-QRVBRYPASA-N 2 1 356.470 1.279 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110746434 982034214 /nfs/dbraw/zinc/03/42/14/982034214.db2.gz MYYXJMZRNAIWPM-QRVBRYPASA-N 2 1 356.470 1.279 20 30 FDEDMP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[N@@H+]1Cc1ccccc1 ZINC000884427116 983149673 /nfs/dbraw/zinc/14/96/73/983149673.db2.gz IFNMRFFJVDFRTI-BZYYEOTJSA-N 2 1 352.482 1.859 20 30 FDEDMP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[N@H+]1Cc1ccccc1 ZINC000884427116 983149678 /nfs/dbraw/zinc/14/96/78/983149678.db2.gz IFNMRFFJVDFRTI-BZYYEOTJSA-N 2 1 352.482 1.859 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000299154292 988175179 /nfs/dbraw/zinc/17/51/79/988175179.db2.gz NNJFAZXKEAUPDI-UHFFFAOYSA-N 2 1 368.525 1.395 20 30 FDEDMP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@H]21 ZINC000367461898 988952350 /nfs/dbraw/zinc/95/23/50/988952350.db2.gz BZTQTTLLQQQMNP-YSFYHYPLSA-N 2 1 358.574 1.822 20 30 FDEDMP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC[C@@H]21 ZINC000367461898 988952351 /nfs/dbraw/zinc/95/23/51/988952351.db2.gz BZTQTTLLQQQMNP-YSFYHYPLSA-N 2 1 358.574 1.822 20 30 FDEDMP C[NH+]1CCC[C@@H]2CN(CC#CCN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC[C@@H]21 ZINC000367461898 988952353 /nfs/dbraw/zinc/95/23/53/988952353.db2.gz BZTQTTLLQQQMNP-YSFYHYPLSA-N 2 1 358.574 1.822 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000296610069 989324836 /nfs/dbraw/zinc/32/48/36/989324836.db2.gz XCIBANPNDGLDRM-QGZVFWFLSA-N 2 1 357.502 1.861 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000363713219 989403496 /nfs/dbraw/zinc/40/34/96/989403496.db2.gz MHFWIEJPSRVXKJ-NSISKUIASA-N 2 1 370.497 1.653 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000363713219 989403501 /nfs/dbraw/zinc/40/35/01/989403501.db2.gz MHFWIEJPSRVXKJ-NSISKUIASA-N 2 1 370.497 1.653 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000363713217 989403557 /nfs/dbraw/zinc/40/35/57/989403557.db2.gz MHFWIEJPSRVXKJ-AHRSYUTCSA-N 2 1 370.497 1.653 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000363713217 989403562 /nfs/dbraw/zinc/40/35/62/989403562.db2.gz MHFWIEJPSRVXKJ-AHRSYUTCSA-N 2 1 370.497 1.653 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000876779761 992905111 /nfs/dbraw/zinc/90/51/11/992905111.db2.gz MHXDIVHJEHDVEB-KGLIPLIRSA-N 2 1 356.923 1.623 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000876784836 992912647 /nfs/dbraw/zinc/91/26/47/992912647.db2.gz LIVYDLYYZPJIEF-QGZVFWFLSA-N 2 1 350.894 1.737 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000374748521 992934798 /nfs/dbraw/zinc/93/47/98/992934798.db2.gz IAMGGDLGGDDTQY-INIZCTEOSA-N 2 1 373.501 1.421 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000374748521 992934799 /nfs/dbraw/zinc/93/47/99/992934799.db2.gz IAMGGDLGGDDTQY-INIZCTEOSA-N 2 1 373.501 1.421 20 30 FDEDMP C[C@H](O)[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@H]([C@H](C)O)C3)c2)C1 ZINC000878393069 993938688 /nfs/dbraw/zinc/93/86/88/993938688.db2.gz ZVBGXCVTSKTWEA-SNHGZMDHSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H]([C@H](C)O)C3)c2)C1 ZINC000878393069 993938696 /nfs/dbraw/zinc/93/86/96/993938696.db2.gz ZVBGXCVTSKTWEA-SNHGZMDHSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@H]([C@H](C)O)C3)c2)C1 ZINC000878393069 993938701 /nfs/dbraw/zinc/93/87/01/993938701.db2.gz ZVBGXCVTSKTWEA-SNHGZMDHSA-N 2 1 357.498 1.964 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000890376295 998920839 /nfs/dbraw/zinc/92/08/39/998920839.db2.gz CZFWJNFJCCKEAJ-GOSISDBHSA-N 2 1 369.513 1.966 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)C1 ZINC000890376295 998920842 /nfs/dbraw/zinc/92/08/42/998920842.db2.gz CZFWJNFJCCKEAJ-GOSISDBHSA-N 2 1 369.513 1.966 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)NCCn1cc[nH+]c1C)C(C)C ZINC000284028007 999773404 /nfs/dbraw/zinc/77/34/04/999773404.db2.gz LLAPOVBRNJWAPA-QGZVFWFLSA-N 2 1 361.490 1.123 20 30 FDEDMP C[N@@H+](C[C@H](O)CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000289309323 1000089468 /nfs/dbraw/zinc/08/94/68/1000089468.db2.gz DUPIUZKUJIHWNX-IBGZPJMESA-N 2 1 356.470 1.664 20 30 FDEDMP CN(C[C@H](O)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1CC1 ZINC000289309323 1000089469 /nfs/dbraw/zinc/08/94/69/1000089469.db2.gz DUPIUZKUJIHWNX-IBGZPJMESA-N 2 1 356.470 1.664 20 30 FDEDMP C#CCOc1ccccc1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000289720429 1000115372 /nfs/dbraw/zinc/11/53/72/1000115372.db2.gz HGUNLIRZAMBHSU-UHFFFAOYSA-N 2 1 355.482 1.685 20 30 FDEDMP CC[C@@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)OCCc2ccccc21 ZINC000290763288 1000157707 /nfs/dbraw/zinc/15/77/07/1000157707.db2.gz ZPEHABKLFVYBKD-FQEVSTJZSA-N 2 1 360.502 1.491 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000928648729 1001607272 /nfs/dbraw/zinc/60/72/72/1001607272.db2.gz QVFIAYXCGZKBDI-PMACEKPBSA-N 2 1 371.529 1.448 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCCNc2cccc(C)[nH+]2)CC1 ZINC000930009786 1002732886 /nfs/dbraw/zinc/73/28/86/1002732886.db2.gz JFDHAMQPCNLWTL-UHFFFAOYSA-N 2 1 359.474 1.075 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1c(OC)cc(OC)cc1OC ZINC000304746165 1010476536 /nfs/dbraw/zinc/47/65/36/1010476536.db2.gz FQQHHMGYSCYDMO-AWEZNQCLSA-N 2 1 364.490 1.644 20 30 FDEDMP C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171658804 258268236 /nfs/dbraw/zinc/26/82/36/258268236.db2.gz HGUVXWXIFUPTFR-OAHLLOKOSA-N 2 1 371.485 1.275 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000553669151 543677759 /nfs/dbraw/zinc/67/77/59/543677759.db2.gz LEQYDCNIQBROPR-QGZVFWFLSA-N 2 1 364.534 1.237 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000557730808 544337297 /nfs/dbraw/zinc/33/72/97/544337297.db2.gz DVWJOVVHODJPOV-RTBURBONSA-N 2 1 370.497 1.315 20 30 FDEDMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000333682774 259369605 /nfs/dbraw/zinc/36/96/05/259369605.db2.gz OYTCHWNZVMHHCR-VQIMIIECSA-N 2 1 355.486 1.774 20 30 FDEDMP C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000333872846 259388898 /nfs/dbraw/zinc/38/88/98/259388898.db2.gz UWIQQQVGQJHARD-QFBILLFUSA-N 2 1 355.486 1.916 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000057140200 522011458 /nfs/dbraw/zinc/01/14/58/522011458.db2.gz XMAGRGGSVZJPQW-UHFFFAOYSA-N 2 1 364.493 1.938 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000057140200 522011469 /nfs/dbraw/zinc/01/14/69/522011469.db2.gz XMAGRGGSVZJPQW-UHFFFAOYSA-N 2 1 364.493 1.938 20 30 FDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N[C@H]2CCOc3ccccc32)CC1 ZINC000083031839 524233533 /nfs/dbraw/zinc/23/35/33/524233533.db2.gz XAUWZYCHQDAPMG-SFHVURJKSA-N 2 1 359.518 1.832 20 30 FDEDMP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000157622141 524308916 /nfs/dbraw/zinc/30/89/16/524308916.db2.gz GZUOPQZNTIRTDI-IBGZPJMESA-N 2 1 352.438 1.710 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158346696 524450264 /nfs/dbraw/zinc/45/02/64/524450264.db2.gz DPLCWPMUEAUNFS-RDJZCZTQSA-N 2 1 355.490 1.661 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000104162954 525397155 /nfs/dbraw/zinc/39/71/55/525397155.db2.gz LGKYLWRYJWMDRV-UHFFFAOYSA-N 2 1 361.534 1.524 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cc(Br)cs1 ZINC000104173992 525397398 /nfs/dbraw/zinc/39/73/98/525397398.db2.gz QDSBYSPXWHSIKT-UHFFFAOYSA-N 2 1 361.309 1.637 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000170910628 525764999 /nfs/dbraw/zinc/76/49/99/525764999.db2.gz GKCCJQINCOZILX-UHFFFAOYSA-N 3 1 373.545 1.525 20 30 FDEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000133460524 526061898 /nfs/dbraw/zinc/06/18/98/526061898.db2.gz TWFHVDNQVKRCIT-RTBURBONSA-N 2 1 369.513 1.054 20 30 FDEDMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000109752782 526172370 /nfs/dbraw/zinc/17/23/70/526172370.db2.gz IUZXQLQDLIEPCV-LJQANCHMSA-N 2 1 369.513 1.989 20 30 FDEDMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000109752782 526172380 /nfs/dbraw/zinc/17/23/80/526172380.db2.gz IUZXQLQDLIEPCV-LJQANCHMSA-N 2 1 369.513 1.989 20 30 FDEDMP [NH2+]=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCN(c2ncccn2)CC1 ZINC000263258059 537003046 /nfs/dbraw/zinc/00/30/46/537003046.db2.gz RNZUHHVUOJXHDU-INIZCTEOSA-N 2 1 369.473 1.343 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1Cn1cccn1 ZINC000264104077 537137642 /nfs/dbraw/zinc/13/76/42/537137642.db2.gz NGYPOWSTDDTAGG-UHFFFAOYSA-N 2 1 356.474 1.058 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000249419222 537235402 /nfs/dbraw/zinc/23/54/02/537235402.db2.gz HGIGHLQTVVBQKK-VDZJLULYSA-N 2 1 350.507 1.521 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N[C@](C)(C#N)C2CC2)[C@@H](C)C1 ZINC000249419222 537235403 /nfs/dbraw/zinc/23/54/03/537235403.db2.gz HGIGHLQTVVBQKK-VDZJLULYSA-N 2 1 350.507 1.521 20 30 FDEDMP C=CCNC(=O)NC(=O)[C@H](C)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274850724 537532839 /nfs/dbraw/zinc/53/28/39/537532839.db2.gz QWCOQUAIVAKXKM-BQFCYCMXSA-N 2 1 358.486 1.887 20 30 FDEDMP CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000424152214 538246942 /nfs/dbraw/zinc/24/69/42/538246942.db2.gz JBVLDIBMBHVIHT-GBESFXJTSA-N 2 1 358.486 1.803 20 30 FDEDMP CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000424152214 538246946 /nfs/dbraw/zinc/24/69/46/538246946.db2.gz JBVLDIBMBHVIHT-GBESFXJTSA-N 2 1 358.486 1.803 20 30 FDEDMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000472281025 538616161 /nfs/dbraw/zinc/61/61/61/538616161.db2.gz WHDUHTLWFJAYLM-IBGZPJMESA-N 2 1 358.486 1.607 20 30 FDEDMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000472281025 538616171 /nfs/dbraw/zinc/61/61/71/538616171.db2.gz WHDUHTLWFJAYLM-IBGZPJMESA-N 2 1 358.486 1.607 20 30 FDEDMP C=CCn1cc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)nn1 ZINC000564352733 546889670 /nfs/dbraw/zinc/88/96/70/546889670.db2.gz TZYTWARCQBNEMA-UHFFFAOYSA-N 2 1 360.506 1.277 20 30 FDEDMP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000565363339 547321290 /nfs/dbraw/zinc/32/12/90/547321290.db2.gz FGBQNKMEENCYTF-QGZVFWFLSA-N 2 1 365.499 1.158 20 30 FDEDMP CN(C)CC[N@@H+](C)CCCN(C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000569386088 548900180 /nfs/dbraw/zinc/90/01/80/548900180.db2.gz RAULRYPLSLIKAI-UHFFFAOYSA-N 2 1 356.474 1.924 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574324584 550295976 /nfs/dbraw/zinc/29/59/76/550295976.db2.gz RYUJXSLKWVMXNQ-QAPCUYQASA-N 2 1 356.474 1.828 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc3c(C#N)cnn3c2)[C@H](C)C1 ZINC000574324584 550295979 /nfs/dbraw/zinc/29/59/79/550295979.db2.gz RYUJXSLKWVMXNQ-QAPCUYQASA-N 2 1 356.474 1.828 20 30 FDEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]([NH3+])CCCCC#N)cc2)CC1 ZINC000594440488 552311082 /nfs/dbraw/zinc/31/10/82/552311082.db2.gz DJLQBMMAGBZHEP-GOSISDBHSA-N 2 1 371.485 1.102 20 30 FDEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598588183 552911875 /nfs/dbraw/zinc/91/18/75/552911875.db2.gz IQWJOOYBPMVMGG-SFHVURJKSA-N 2 1 364.534 1.553 20 30 FDEDMP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000598720635 552928088 /nfs/dbraw/zinc/92/80/88/552928088.db2.gz QHRGPJPSWFYUOT-OALUTQOASA-N 2 1 372.513 1.774 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CCOCC2)[C@@H](C)C1 ZINC000599373043 553038990 /nfs/dbraw/zinc/03/89/90/553038990.db2.gz RQVCCRPVEDJPEF-OTWHNJEPSA-N 2 1 367.534 1.784 20 30 FDEDMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)CC1 ZINC000609338393 554368629 /nfs/dbraw/zinc/36/86/29/554368629.db2.gz UONXBWPCMJPDSY-WOJBJXKFSA-N 2 1 372.513 1.204 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610995517 554592196 /nfs/dbraw/zinc/59/21/96/554592196.db2.gz SEXCHINVRWYLRV-KOUHRCEDSA-N 2 1 373.497 1.676 20 30 FDEDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)COc1ccc(CC#N)cc1 ZINC000610995517 554592197 /nfs/dbraw/zinc/59/21/97/554592197.db2.gz SEXCHINVRWYLRV-KOUHRCEDSA-N 2 1 373.497 1.676 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CC)cc1 ZINC000271943749 674398801 /nfs/dbraw/zinc/39/88/01/674398801.db2.gz MNWQEQLIKWAZDN-OAHLLOKOSA-N 2 1 352.504 1.369 20 30 FDEDMP C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000086766500 671484451 /nfs/dbraw/zinc/48/44/51/671484451.db2.gz KHCMBEDBUWBWMM-MRXNPFEDSA-N 2 1 370.563 1.128 20 30 FDEDMP CO[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1Cl ZINC000123622364 671728193 /nfs/dbraw/zinc/72/81/93/671728193.db2.gz FPHVREBHLGGTIN-INIZCTEOSA-N 2 1 354.882 1.654 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1CCC[N@@H+](CC(C)C)C1)N1CCN(C(C)=O)CC1 ZINC000134207656 671826800 /nfs/dbraw/zinc/82/68/00/671826800.db2.gz ANMSAWRWNITWCO-SFHVURJKSA-N 2 1 351.539 1.484 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000246932375 672520774 /nfs/dbraw/zinc/52/07/74/672520774.db2.gz HCWIFCSRMDIEES-HUUCEWRRSA-N 2 1 353.511 1.775 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988886 672707490 /nfs/dbraw/zinc/70/74/90/672707490.db2.gz QVVDLFHRMHNVQO-OAHLLOKOSA-N 2 1 372.579 1.581 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261988886 672707492 /nfs/dbraw/zinc/70/74/92/672707492.db2.gz QVVDLFHRMHNVQO-OAHLLOKOSA-N 2 1 372.579 1.581 20 30 FDEDMP CC[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCC2(C1)CCOCC2 ZINC000262818387 672851211 /nfs/dbraw/zinc/85/12/11/672851211.db2.gz WELCXFJBGHTEQL-SFHVURJKSA-N 2 1 354.564 1.892 20 30 FDEDMP CC1(C)C[N@@H+](C2(CNC(=[NH2+])NC[C@@H]3CCCO3)CCCCC2)CCO1 ZINC000263154286 672864282 /nfs/dbraw/zinc/86/42/82/672864282.db2.gz MOKHXRSHJYGKRJ-INIZCTEOSA-N 2 1 352.523 1.883 20 30 FDEDMP CC1(C)C[N@H+](C2(CNC(=[NH2+])NC[C@@H]3CCCO3)CCCCC2)CCO1 ZINC000263154286 672864286 /nfs/dbraw/zinc/86/42/86/672864286.db2.gz MOKHXRSHJYGKRJ-INIZCTEOSA-N 2 1 352.523 1.883 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(N2CCOCC2)CCCCC1 ZINC000303783083 676543066 /nfs/dbraw/zinc/54/30/66/676543066.db2.gz NWEKLCLDWZQHAW-KRWDZBQOSA-N 2 1 351.539 1.410 20 30 FDEDMP CCO[C@@H]1C[C@@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C12CCCCC2 ZINC000304781484 676544503 /nfs/dbraw/zinc/54/45/03/676544503.db2.gz GIQDNOFJRXULFT-IAGOWNOFSA-N 2 1 352.523 1.741 20 30 FDEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000329324511 676633228 /nfs/dbraw/zinc/63/32/28/676633228.db2.gz SLKZGABYBLSUFV-INIZCTEOSA-N 2 1 351.495 1.511 20 30 FDEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1C ZINC000329806070 676657826 /nfs/dbraw/zinc/65/78/26/676657826.db2.gz AWMNZIZNJAYRBF-SJORKVTESA-N 2 1 354.539 1.942 20 30 FDEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000329822320 676659229 /nfs/dbraw/zinc/65/92/29/676659229.db2.gz YYVFSKAULIKDEY-WBVHZDCISA-N 2 1 350.507 1.618 20 30 FDEDMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000330859771 676706838 /nfs/dbraw/zinc/70/68/38/676706838.db2.gz RIECHMXXOHQXFB-OKZBNKHCSA-N 2 1 354.539 1.798 20 30 FDEDMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330859771 676706841 /nfs/dbraw/zinc/70/68/41/676706841.db2.gz RIECHMXXOHQXFB-OKZBNKHCSA-N 2 1 354.539 1.798 20 30 FDEDMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000330859771 676706845 /nfs/dbraw/zinc/70/68/45/676706845.db2.gz RIECHMXXOHQXFB-OKZBNKHCSA-N 2 1 354.539 1.798 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CCC1 ZINC000474587322 685427217 /nfs/dbraw/zinc/42/72/17/685427217.db2.gz SJGCMXMEDAPFLQ-INIZCTEOSA-N 2 1 356.536 1.358 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CCC1 ZINC000474587322 685427221 /nfs/dbraw/zinc/42/72/21/685427221.db2.gz SJGCMXMEDAPFLQ-INIZCTEOSA-N 2 1 356.536 1.358 20 30 FDEDMP C=CCN1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001024571603 785295669 /nfs/dbraw/zinc/29/56/69/785295669.db2.gz HPEHUQWDOMETMB-KSZLIROESA-N 2 1 351.491 1.023 20 30 FDEDMP N#Cc1ccc(CN2C[C@H]3OCCN(C(=O)CN4CCCC4)[C@H]3C2)cc1 ZINC001083275765 787190942 /nfs/dbraw/zinc/19/09/42/787190942.db2.gz VIYHGCVCFYOYMF-RBUKOAKNSA-N 2 1 354.454 1.066 20 30 FDEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001105244431 795539010 /nfs/dbraw/zinc/53/90/10/795539010.db2.gz WTMHHYDPMXJBIN-ZWKOTPCHSA-N 2 1 360.506 1.448 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001087428279 806749510 /nfs/dbraw/zinc/74/95/10/806749510.db2.gz WJMYCFGQDQFROM-NJDAHSKKSA-N 2 1 351.494 1.936 20 30 FDEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001087428279 806749511 /nfs/dbraw/zinc/74/95/11/806749511.db2.gz WJMYCFGQDQFROM-NJDAHSKKSA-N 2 1 351.494 1.936 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(F)ccc3C#N)C2)CC[N@H+]1C ZINC001026851840 799999630 /nfs/dbraw/zinc/99/96/30/799999630.db2.gz HOQQQOMMVDKKCV-ZRGWGRIASA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[N@H+]1C ZINC000978163261 805228064 /nfs/dbraw/zinc/22/80/64/805228064.db2.gz BLCIYEJCEBLYCI-WEUUYRGXSA-N 2 1 369.484 1.811 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[NH+]1C ZINC000978163261 805228073 /nfs/dbraw/zinc/22/80/73/805228073.db2.gz BLCIYEJCEBLYCI-WEUUYRGXSA-N 2 1 369.484 1.811 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#Cc4ccc(F)cc4)C[C@H]32)CC[NH+]1C ZINC000978163261 805228080 /nfs/dbraw/zinc/22/80/80/805228080.db2.gz BLCIYEJCEBLYCI-WEUUYRGXSA-N 2 1 369.484 1.811 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726331 809405933 /nfs/dbraw/zinc/40/59/33/809405933.db2.gz WAFYXVNLKVLSHC-ZCNNSNEGSA-N 2 1 355.482 1.315 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1 ZINC001211726331 809405935 /nfs/dbraw/zinc/40/59/35/809405935.db2.gz WAFYXVNLKVLSHC-ZCNNSNEGSA-N 2 1 355.482 1.315 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C)C(C)C ZINC000419425890 811935234 /nfs/dbraw/zinc/93/52/34/811935234.db2.gz QFRPQMLLNXNJAH-CEXWTWQISA-N 2 1 366.550 1.782 20 30 FDEDMP C#CCN1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001087475972 818349320 /nfs/dbraw/zinc/34/93/20/818349320.db2.gz MADBMSNXXWBMAT-YYWHXJBOSA-N 2 1 369.509 1.944 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC001087828437 822520685 /nfs/dbraw/zinc/52/06/85/822520685.db2.gz LGLQNSGOODQWFE-NZSAHSFTSA-N 2 1 370.497 1.988 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(OC)c(C#N)c1 ZINC001087828437 822520689 /nfs/dbraw/zinc/52/06/89/822520689.db2.gz LGLQNSGOODQWFE-NZSAHSFTSA-N 2 1 370.497 1.988 20 30 FDEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(OC)c(C#N)c1 ZINC001087828437 822520692 /nfs/dbraw/zinc/52/06/92/822520692.db2.gz LGLQNSGOODQWFE-NZSAHSFTSA-N 2 1 370.497 1.988 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001087908490 823744735 /nfs/dbraw/zinc/74/47/35/823744735.db2.gz DTYODQFUCIVSQP-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001087908490 823744743 /nfs/dbraw/zinc/74/47/43/823744743.db2.gz DTYODQFUCIVSQP-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C#N)s3)CC[C@@H]2C1 ZINC001087908490 823744750 /nfs/dbraw/zinc/74/47/50/823744750.db2.gz DTYODQFUCIVSQP-RVKKMQEKSA-N 2 1 358.511 1.994 20 30 FDEDMP C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001087920078 823867186 /nfs/dbraw/zinc/86/71/86/823867186.db2.gz DJLBLUVVSNOSTR-AABGKKOBSA-N 2 1 368.481 1.169 20 30 FDEDMP C[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001087920078 823867210 /nfs/dbraw/zinc/86/72/10/823867210.db2.gz DJLBLUVVSNOSTR-AABGKKOBSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001087920078 823867224 /nfs/dbraw/zinc/86/72/24/823867224.db2.gz DJLBLUVVSNOSTR-AABGKKOBSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001087920078 823867243 /nfs/dbraw/zinc/86/72/43/823867243.db2.gz DJLBLUVVSNOSTR-AABGKKOBSA-N 2 1 368.481 1.169 20 30 FDEDMP CNc1cc(N2CCC[C@@H]2CNC(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ncn1 ZINC000329305828 824725301 /nfs/dbraw/zinc/72/53/01/824725301.db2.gz YLIDQWFYVKFRHG-XHSDSOJGSA-N 2 1 373.505 1.427 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CCC[NH+]1C ZINC000329312899 824730759 /nfs/dbraw/zinc/73/07/59/824730759.db2.gz GPRSGQAJFCXVHK-YQVWRLOYSA-N 2 1 374.533 1.887 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)CCC[N@@H+]1C ZINC000329312899 824730767 /nfs/dbraw/zinc/73/07/67/824730767.db2.gz GPRSGQAJFCXVHK-YQVWRLOYSA-N 2 1 374.533 1.887 20 30 FDEDMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CC[NH+]3CCCC[C@@H]3C2)CCC[N@H+]1C ZINC000329312899 824730772 /nfs/dbraw/zinc/73/07/72/824730772.db2.gz GPRSGQAJFCXVHK-YQVWRLOYSA-N 2 1 374.533 1.887 20 30 FDEDMP CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000329318528 824731950 /nfs/dbraw/zinc/73/19/50/824731950.db2.gz SUFVISGMISZDLS-INIZCTEOSA-N 2 1 365.522 1.013 20 30 FDEDMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088012367 825239183 /nfs/dbraw/zinc/23/91/83/825239183.db2.gz FYTGJMCZWJZZJV-SJORKVTESA-N 2 1 369.937 1.878 20 30 FDEDMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001088012367 825239190 /nfs/dbraw/zinc/23/91/90/825239190.db2.gz FYTGJMCZWJZZJV-SJORKVTESA-N 2 1 369.937 1.878 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262445282 826945740 /nfs/dbraw/zinc/94/57/40/826945740.db2.gz VDNFTHUJIVPWML-SLFFLAALSA-N 2 1 356.514 1.847 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH+](C)Cc3ccccc3C#N)CC2)O1 ZINC000985493333 828019273 /nfs/dbraw/zinc/01/92/73/828019273.db2.gz UIKUBHLTOKORQO-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH+](C)Cc3ccccc3C#N)CC2)O1 ZINC000985493333 828019285 /nfs/dbraw/zinc/01/92/85/828019285.db2.gz UIKUBHLTOKORQO-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@H+](C)Cc3ccccc3C#N)CC2)O1 ZINC000985493333 828019296 /nfs/dbraw/zinc/01/92/96/828019296.db2.gz UIKUBHLTOKORQO-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCC([N@@H+](C)Cc3ccccc3C#N)CC2)O1 ZINC000985493333 828019307 /nfs/dbraw/zinc/01/93/07/828019307.db2.gz UIKUBHLTOKORQO-OXQOHEQNSA-N 2 1 370.497 1.700 20 30 FDEDMP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700356 830424369 /nfs/dbraw/zinc/42/43/69/830424369.db2.gz NSGGCHZGCCPGOQ-CGXUPHRESA-N 2 1 360.542 1.956 20 30 FDEDMP C[C@@H]1C[NH+]=C(NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)N1 ZINC000263062194 832295879 /nfs/dbraw/zinc/29/58/79/832295879.db2.gz FPULQIANHLGVQM-QGZVFWFLSA-N 2 1 357.502 1.295 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105668970 844115037 /nfs/dbraw/zinc/11/50/37/844115037.db2.gz NMMZWEZXFOSEBS-JYBIWHBTSA-N 2 1 360.502 1.734 20 30 FDEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462499 848213291 /nfs/dbraw/zinc/21/32/91/848213291.db2.gz XEKFZYLLTPDGDS-SLFFLAALSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462499 848213298 /nfs/dbraw/zinc/21/32/98/848213298.db2.gz XEKFZYLLTPDGDS-SLFFLAALSA-N 2 1 352.482 1.933 20 30 FDEDMP C[NH+]1CC[C@@H](CC(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001076462499 848213306 /nfs/dbraw/zinc/21/33/06/848213306.db2.gz XEKFZYLLTPDGDS-SLFFLAALSA-N 2 1 352.482 1.933 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@H](C)c4cnccn4)C[C@H]32)CC1 ZINC001076604499 848553790 /nfs/dbraw/zinc/55/37/90/848553790.db2.gz JETPTTPYTZXIMO-IMFGXOCKSA-N 2 1 367.497 1.416 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)c4cnccn4)C[C@H]32)CC1 ZINC001076604499 848553792 /nfs/dbraw/zinc/55/37/92/848553792.db2.gz JETPTTPYTZXIMO-IMFGXOCKSA-N 2 1 367.497 1.416 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000668835531 857507352 /nfs/dbraw/zinc/50/73/52/857507352.db2.gz CAEYBMUSLUKGGI-LJQANCHMSA-N 2 1 370.497 1.144 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000668835531 857507363 /nfs/dbraw/zinc/50/73/63/857507363.db2.gz CAEYBMUSLUKGGI-LJQANCHMSA-N 2 1 370.497 1.144 20 30 FDEDMP C[C@H](CNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C)Cn1cccn1 ZINC000912505663 859831123 /nfs/dbraw/zinc/83/11/23/859831123.db2.gz CJWNLMFIHYUZJR-QGZVFWFLSA-N 2 1 364.538 1.575 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C)C1=O ZINC001088860750 864810595 /nfs/dbraw/zinc/81/05/95/864810595.db2.gz ZURABQARKBPFGC-IKGGRYGDSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C)C1=O ZINC001088860750 864810603 /nfs/dbraw/zinc/81/06/03/864810603.db2.gz ZURABQARKBPFGC-IKGGRYGDSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C)C1=O ZINC001088860750 864810622 /nfs/dbraw/zinc/81/06/22/864810622.db2.gz ZURABQARKBPFGC-IKGGRYGDSA-N 2 1 362.518 1.084 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CC[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C)C1=O ZINC001088860750 864810640 /nfs/dbraw/zinc/81/06/40/864810640.db2.gz ZURABQARKBPFGC-IKGGRYGDSA-N 2 1 362.518 1.084 20 30 FDEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106881524 881907908 /nfs/dbraw/zinc/90/79/08/881907908.db2.gz FFOFLTYNRLHEKI-VHDGCEQUSA-N 2 1 358.324 1.921 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)C1 ZINC000271751816 869097669 /nfs/dbraw/zinc/09/76/69/869097669.db2.gz FWBKVGHPMTZAMQ-IBGZPJMESA-N 2 1 370.497 1.610 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189034 912226366 /nfs/dbraw/zinc/22/63/66/912226366.db2.gz GLJRRLXLDHHNTC-AYOQOUSVSA-N 2 1 370.497 1.988 20 30 FDEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004558 884997189 /nfs/dbraw/zinc/99/71/89/884997189.db2.gz TXMLLQXNMMGASQ-MKXGPGLRSA-N 2 1 374.533 1.706 20 30 FDEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004558 884997191 /nfs/dbraw/zinc/99/71/91/884997191.db2.gz TXMLLQXNMMGASQ-MKXGPGLRSA-N 2 1 374.533 1.706 20 30 FDEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004558 884997198 /nfs/dbraw/zinc/99/71/98/884997198.db2.gz TXMLLQXNMMGASQ-MKXGPGLRSA-N 2 1 374.533 1.706 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000919052960 885251866 /nfs/dbraw/zinc/25/18/66/885251866.db2.gz WXNFJDXDUBSMIP-HKUYNNGSSA-N 2 1 364.534 1.520 20 30 FDEDMP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC001034939554 885383913 /nfs/dbraw/zinc/38/39/13/885383913.db2.gz GBSSTDCMXAQQPM-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129053101 885583714 /nfs/dbraw/zinc/58/37/14/885583714.db2.gz RMLTYDHURHFNQH-NXHRZFHOSA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129053101 885583730 /nfs/dbraw/zinc/58/37/30/885583730.db2.gz RMLTYDHURHFNQH-NXHRZFHOSA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129053101 885583734 /nfs/dbraw/zinc/58/37/34/885583734.db2.gz RMLTYDHURHFNQH-NXHRZFHOSA-N 2 1 360.506 1.459 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](CC)c3ccccc3)C[C@H]2O)CC1 ZINC001078227169 898429319 /nfs/dbraw/zinc/42/93/19/898429319.db2.gz MFHBDFSILQVMFP-QHAWAJNXSA-N 2 1 369.509 1.644 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C2CC[NH+](C)CC2)C1 ZINC001079142731 901950875 /nfs/dbraw/zinc/95/08/75/901950875.db2.gz QXMGBSVGGLPEDF-NHCUHLMSSA-N 2 1 369.509 1.425 20 30 FDEDMP C#CCC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270356 902329827 /nfs/dbraw/zinc/32/98/27/902329827.db2.gz ODXHHUXLQGJBDU-CEXWTWQISA-N 2 1 359.514 1.291 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccccc1F ZINC001079321995 902424369 /nfs/dbraw/zinc/42/43/69/902424369.db2.gz IGNPQBORPGIHKF-QXAKKESOSA-N 2 1 361.461 1.616 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccccc1F ZINC001079321995 902424372 /nfs/dbraw/zinc/42/43/72/902424372.db2.gz IGNPQBORPGIHKF-QXAKKESOSA-N 2 1 361.461 1.616 20 30 FDEDMP C=CCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107435941 904896502 /nfs/dbraw/zinc/89/65/02/904896502.db2.gz GXTJAZCZUPLKBY-NLWGTHIKSA-N 2 1 359.518 1.750 20 30 FDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)[C@H](Cn3cccn3)[NH+](C)C)CCC[C@@H]12 ZINC001107435941 904896509 /nfs/dbraw/zinc/89/65/09/904896509.db2.gz GXTJAZCZUPLKBY-NLWGTHIKSA-N 2 1 359.518 1.750 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092521 905744757 /nfs/dbraw/zinc/74/47/57/905744757.db2.gz COQXETMEAJCDIP-RTBURBONSA-N 2 1 356.470 1.215 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001082092521 905744768 /nfs/dbraw/zinc/74/47/68/905744768.db2.gz COQXETMEAJCDIP-RTBURBONSA-N 2 1 356.470 1.215 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708567 907034310 /nfs/dbraw/zinc/03/43/10/907034310.db2.gz MMZNBKAGMOTAGL-IYWMVGAKSA-N 2 1 357.498 1.459 20 30 FDEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708567 907034329 /nfs/dbraw/zinc/03/43/29/907034329.db2.gz MMZNBKAGMOTAGL-IYWMVGAKSA-N 2 1 357.498 1.459 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708567 907034359 /nfs/dbraw/zinc/03/43/59/907034359.db2.gz MMZNBKAGMOTAGL-IYWMVGAKSA-N 2 1 357.498 1.459 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001081167992 907287894 /nfs/dbraw/zinc/28/78/94/907287894.db2.gz BQXCRQMZCCMKOJ-XUVXKRRUSA-N 2 1 357.498 1.866 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1ccccc1 ZINC001081167992 907287912 /nfs/dbraw/zinc/28/79/12/907287912.db2.gz BQXCRQMZCCMKOJ-XUVXKRRUSA-N 2 1 357.498 1.866 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC001082520077 908214800 /nfs/dbraw/zinc/21/48/00/908214800.db2.gz YYCUVZSBJKAWGA-BCXHYRKLSA-N 2 1 358.461 1.974 20 30 FDEDMP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)cc1C#N ZINC001082562151 908635273 /nfs/dbraw/zinc/63/52/73/908635273.db2.gz SBADCYGFHRYWES-DNVCBOLYSA-N 2 1 370.497 1.988 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082702800 909626229 /nfs/dbraw/zinc/62/62/29/909626229.db2.gz IVYQZCKVPOPVRC-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001082702800 909626238 /nfs/dbraw/zinc/62/62/38/909626238.db2.gz IVYQZCKVPOPVRC-NSISKUIASA-N 2 1 370.497 1.604 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082861863 910523552 /nfs/dbraw/zinc/52/35/52/910523552.db2.gz QXSMPACCOHHGPV-IMFGXOCKSA-N 2 1 370.497 1.867 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000730097667 916118032 /nfs/dbraw/zinc/11/80/32/916118032.db2.gz GDZANDFMVUFJMI-FQEVSTJZSA-N 2 1 355.482 1.873 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000730097667 916118041 /nfs/dbraw/zinc/11/80/41/916118041.db2.gz GDZANDFMVUFJMI-FQEVSTJZSA-N 2 1 355.482 1.873 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000743945903 926505951 /nfs/dbraw/zinc/50/59/51/926505951.db2.gz CTOIIUSUUQECRF-UHFFFAOYSA-N 2 1 368.441 1.281 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCC)C2 ZINC001110016556 931098302 /nfs/dbraw/zinc/09/83/02/931098302.db2.gz UFAYARLSFKCAHB-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCC)C2 ZINC001110016556 931098313 /nfs/dbraw/zinc/09/83/13/931098313.db2.gz UFAYARLSFKCAHB-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016556 931098323 /nfs/dbraw/zinc/09/83/23/931098323.db2.gz UFAYARLSFKCAHB-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCC)C2 ZINC001110016556 931098332 /nfs/dbraw/zinc/09/83/32/931098332.db2.gz UFAYARLSFKCAHB-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](CC)CCO1)C2 ZINC001112583494 931754415 /nfs/dbraw/zinc/75/44/15/931754415.db2.gz UXHLAFPMDJBUSK-JZXOWHBKSA-N 2 1 355.910 1.678 20 30 FDEDMP C=C(Cl)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C2 ZINC001112583494 931754418 /nfs/dbraw/zinc/75/44/18/931754418.db2.gz UXHLAFPMDJBUSK-JZXOWHBKSA-N 2 1 355.910 1.678 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896058 938557340 /nfs/dbraw/zinc/55/73/40/938557340.db2.gz OUPBSMDEBDLOQN-KURKYZTESA-N 2 1 360.506 1.174 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]1n1ccnn1 ZINC001130006026 938623461 /nfs/dbraw/zinc/62/34/61/938623461.db2.gz PMUPEVCRZHLPEB-OAGGEKHMSA-N 2 1 368.913 1.493 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130712690 939999592 /nfs/dbraw/zinc/99/95/92/939999592.db2.gz HNMBIDCUNYEDMG-ZIFCJYIRSA-N 2 1 359.518 1.612 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131313591 940553189 /nfs/dbraw/zinc/55/31/89/940553189.db2.gz XAMDWUYHISAGIB-ZACQAIPSSA-N 2 1 364.490 1.010 20 30 FDEDMP N#Cc1ccc2ncc(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)n2c1 ZINC000816621099 942280187 /nfs/dbraw/zinc/28/01/87/942280187.db2.gz ZCHOJORSWADDTC-UHFFFAOYSA-N 2 1 354.458 1.288 20 30 FDEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170879646 943015622 /nfs/dbraw/zinc/01/56/22/943015622.db2.gz YXJZHUJCZJYCFG-IXDOHACOSA-N 2 1 352.523 1.284 20 30 FDEDMP N#Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000819218083 943492333 /nfs/dbraw/zinc/49/23/33/943492333.db2.gz CMVVAUGKTJLZRO-NHCUHLMSSA-N 2 1 351.450 1.948 20 30 FDEDMP C#C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)C1CCOCC1 ZINC000823181825 945523207 /nfs/dbraw/zinc/52/32/07/945523207.db2.gz PAHKSOMGEZSPKT-OALUTQOASA-N 2 1 364.534 1.472 20 30 FDEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccnc(N2CCC([NH3+])CC2)n1 ZINC001171067478 946799985 /nfs/dbraw/zinc/79/99/85/946799985.db2.gz GUVRTUUWZDAIDV-HNNXBMFYSA-N 2 1 362.478 1.043 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090872040 947466343 /nfs/dbraw/zinc/46/63/43/947466343.db2.gz CDBVBUSJFQKBNG-GEALJGNFSA-N 2 1 355.482 1.553 20 30 FDEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001091544203 951982668 /nfs/dbraw/zinc/98/26/68/951982668.db2.gz WHNHEWGMQRZRLB-LJHODMEESA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001091544203 951982670 /nfs/dbraw/zinc/98/26/70/951982670.db2.gz WHNHEWGMQRZRLB-LJHODMEESA-N 2 1 358.511 1.994 20 30 FDEDMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(C#N)s3)C[C@@]2(C)C1 ZINC001091544203 951982672 /nfs/dbraw/zinc/98/26/72/951982672.db2.gz WHNHEWGMQRZRLB-LJHODMEESA-N 2 1 358.511 1.994 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735804 952756097 /nfs/dbraw/zinc/75/60/97/952756097.db2.gz YFOQSXILGUIYGJ-LMNJBCLMSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735804 952756099 /nfs/dbraw/zinc/75/60/99/952756099.db2.gz YFOQSXILGUIYGJ-LMNJBCLMSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735804 952756102 /nfs/dbraw/zinc/75/61/02/952756102.db2.gz YFOQSXILGUIYGJ-LMNJBCLMSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086982241 952994952 /nfs/dbraw/zinc/99/49/52/952994952.db2.gz AOBDLSREBQQYOD-KSZLIROESA-N 2 1 368.485 1.654 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cnn(C)c1 ZINC001086992992 953025620 /nfs/dbraw/zinc/02/56/20/953025620.db2.gz AOHGDUJVWJSMAM-NZSAHSFTSA-N 2 1 357.502 1.059 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868802 953620853 /nfs/dbraw/zinc/62/08/53/953620853.db2.gz WFFWRADLQBDQMJ-DPJRVOCYSA-N 2 1 359.514 1.596 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868802 953620861 /nfs/dbraw/zinc/62/08/61/953620861.db2.gz WFFWRADLQBDQMJ-DPJRVOCYSA-N 2 1 359.514 1.596 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868802 953620868 /nfs/dbraw/zinc/62/08/68/953620868.db2.gz WFFWRADLQBDQMJ-DPJRVOCYSA-N 2 1 359.514 1.596 20 30 FDEDMP C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092504034 955275711 /nfs/dbraw/zinc/27/57/11/955275711.db2.gz HJTKMOXBFOMCMO-YVWKXTFCSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092504034 955275714 /nfs/dbraw/zinc/27/57/14/955275714.db2.gz HJTKMOXBFOMCMO-YVWKXTFCSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[NH+](CC#Cc2ccc(F)cc2)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092504034 955275717 /nfs/dbraw/zinc/27/57/17/955275717.db2.gz HJTKMOXBFOMCMO-YVWKXTFCSA-N 2 1 357.473 1.956 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725619 956186509 /nfs/dbraw/zinc/18/65/09/956186509.db2.gz SQTQDRUUTZEDHY-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001092725619 956186511 /nfs/dbraw/zinc/18/65/11/956186511.db2.gz SQTQDRUUTZEDHY-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001092725619 956186513 /nfs/dbraw/zinc/18/65/13/956186513.db2.gz SQTQDRUUTZEDHY-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001092725619 956186515 /nfs/dbraw/zinc/18/65/15/956186515.db2.gz SQTQDRUUTZEDHY-XNFNUYLZSA-N 2 1 370.497 1.461 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC001093673250 958515810 /nfs/dbraw/zinc/51/58/10/958515810.db2.gz NICVGAMOUMNFSI-POAQFYNOSA-N 2 1 370.497 1.867 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093690636 958549846 /nfs/dbraw/zinc/54/98/46/958549846.db2.gz BDHDPNDPFUPGPI-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093690636 958549854 /nfs/dbraw/zinc/54/98/54/958549854.db2.gz BDHDPNDPFUPGPI-ATZDWAIDSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093690639 958550191 /nfs/dbraw/zinc/55/01/91/958550191.db2.gz BDHDPNDPFUPGPI-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC001093690639 958550203 /nfs/dbraw/zinc/55/02/03/958550203.db2.gz BDHDPNDPFUPGPI-LZQZEXGQSA-N 2 1 356.470 1.073 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C(C)C)n2)[C@H](C)C1 ZINC001093833163 958928197 /nfs/dbraw/zinc/92/81/97/958928197.db2.gz VJDZQYMLUNOMAK-GGPKGHCWSA-N 2 1 371.529 1.746 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C(C)C)n2)[C@H](C)C1 ZINC001093833163 958928203 /nfs/dbraw/zinc/92/82/03/958928203.db2.gz VJDZQYMLUNOMAK-GGPKGHCWSA-N 2 1 371.529 1.746 20 30 FDEDMP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC001094293332 960256503 /nfs/dbraw/zinc/25/65/03/960256503.db2.gz KNQMLAPNUHRHDN-ZWKOTPCHSA-N 2 1 360.506 1.448 20 30 FDEDMP C#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCC[NH+]3C3CCOCC3)CCC[C@@H]12 ZINC001094433094 960443052 /nfs/dbraw/zinc/44/30/52/960443052.db2.gz QDGNWPIXJPWUSI-SFHLNBCPSA-N 2 1 359.514 1.624 20 30 FDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CCC[C@@H]12 ZINC001094433094 960443064 /nfs/dbraw/zinc/44/30/64/960443064.db2.gz QDGNWPIXJPWUSI-SFHLNBCPSA-N 2 1 359.514 1.624 20 30 FDEDMP C#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)CCC[C@@H]12 ZINC001094433094 960443078 /nfs/dbraw/zinc/44/30/78/960443078.db2.gz QDGNWPIXJPWUSI-SFHLNBCPSA-N 2 1 359.514 1.624 20 30 FDEDMP C=CCN1CCN(C)C2(CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC001172117145 961496802 /nfs/dbraw/zinc/49/68/02/961496802.db2.gz OXMVBSIUMKIGMD-REPLKXPHSA-N 2 1 360.546 1.796 20 30 FDEDMP N#Cc1ccc(C(=O)N2CCC([NH+]3CCN(CCCC[NH3+])CC3)CC2)cc1 ZINC001173429363 962146105 /nfs/dbraw/zinc/14/61/05/962146105.db2.gz QIANPCNEDLJRCG-UHFFFAOYSA-N 2 1 369.513 1.519 20 30 FDEDMP C=CCN1CC[C@H]([NH2+]CCCCCCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001178522683 964273449 /nfs/dbraw/zinc/27/34/49/964273449.db2.gz ODEZXCUJHTYHMI-KURKYZTESA-N 2 1 364.534 1.380 20 30 FDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186409820 964477494 /nfs/dbraw/zinc/47/74/94/964477494.db2.gz GIDVATFPPAECRS-FGTMMUONSA-N 2 1 365.518 1.126 20 30 FDEDMP C=CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186409820 964477500 /nfs/dbraw/zinc/47/75/00/964477500.db2.gz GIDVATFPPAECRS-FGTMMUONSA-N 2 1 365.518 1.126 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189136603 966787651 /nfs/dbraw/zinc/78/76/51/966787651.db2.gz ZRKDZWCKLIZDCZ-ZIFCJYIRSA-N 2 1 358.486 1.489 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4c(C)[nH+]cc4C3)[C@@H]2C1 ZINC001189136603 966787657 /nfs/dbraw/zinc/78/76/57/966787657.db2.gz ZRKDZWCKLIZDCZ-ZIFCJYIRSA-N 2 1 358.486 1.489 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189151135 966794582 /nfs/dbraw/zinc/79/45/82/966794582.db2.gz AIPPQRYKYLIYSP-OKZBNKHCSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189151135 966794586 /nfs/dbraw/zinc/79/45/86/966794586.db2.gz AIPPQRYKYLIYSP-OKZBNKHCSA-N 2 1 364.534 1.284 20 30 FDEDMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cc2)CC1 ZINC000852862378 967667346 /nfs/dbraw/zinc/66/73/46/967667346.db2.gz BZAUBRLDHCGOCY-UHFFFAOYSA-N 2 1 368.481 1.406 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194962145 970560155 /nfs/dbraw/zinc/56/01/55/970560155.db2.gz VIFQYZWVXKRJBI-NSISKUIASA-N 2 1 359.514 1.920 20 30 FDEDMP CN(C)C(=O)CCN1CCC([NH2+]Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000865455999 974307194 /nfs/dbraw/zinc/30/71/94/974307194.db2.gz HLIOZTKNTWCXEC-UHFFFAOYSA-N 2 1 357.502 1.657 20 30 FDEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000865455999 974307197 /nfs/dbraw/zinc/30/71/97/974307197.db2.gz HLIOZTKNTWCXEC-UHFFFAOYSA-N 2 1 357.502 1.657 20 30 FDEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454771 975054668 /nfs/dbraw/zinc/05/46/68/975054668.db2.gz RWFWGQQEJNPEMM-NJYVYQBISA-N 2 1 369.509 1.562 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C(C)C ZINC000849071944 977302808 /nfs/dbraw/zinc/30/28/08/977302808.db2.gz UDBVQHBMOCKEBM-GOSISDBHSA-N 2 1 371.533 1.822 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000332141506 983001309 /nfs/dbraw/zinc/00/13/09/983001309.db2.gz KRKUSILJWBLMRB-WMZOPIPTSA-N 2 1 362.518 1.086 20 30 FDEDMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884227511 983001902 /nfs/dbraw/zinc/00/19/02/983001902.db2.gz RGDSUEQJTKPIPW-LSNYBQGISA-N 2 1 352.482 1.859 20 30 FDEDMP C[C@@H]1C[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[N@H+]1Cc1ccccc1 ZINC000884228758 983002843 /nfs/dbraw/zinc/00/28/43/983002843.db2.gz YLMDXVUYQDVRTQ-OPTGKZCPSA-N 2 1 352.482 1.905 20 30 FDEDMP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)C1 ZINC000363416048 989179783 /nfs/dbraw/zinc/17/97/83/989179783.db2.gz AVCAKMRAGRNSCX-RBUKOAKNSA-N 2 1 358.486 1.010 20 30 FDEDMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)C1 ZINC000363416048 989179792 /nfs/dbraw/zinc/17/97/92/989179792.db2.gz AVCAKMRAGRNSCX-RBUKOAKNSA-N 2 1 358.486 1.010 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000370913299 990117123 /nfs/dbraw/zinc/11/71/23/990117123.db2.gz WDSXIKCXXIAEQT-HKUYNNGSSA-N 2 1 357.502 1.264 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(OC)c(C#N)c3)C2)CC[N@H+]1C ZINC000968738179 1015595252 /nfs/dbraw/zinc/59/52/52/1015595252.db2.gz QBSGRZTWMLOJBJ-CEXWTWQISA-N 2 1 370.497 1.988 20 30 FDEDMP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)NC3(C#N)CCC3)CC2)C[C@@H](C)O1 ZINC000372610122 991268267 /nfs/dbraw/zinc/26/82/67/991268267.db2.gz KYJAQGKGNKYJIH-IAGOWNOFSA-N 2 1 362.518 1.760 20 30 FDEDMP N#CC[C@@]1(O)CC[NH+](CC(C[N@@H+]2CC[C@](O)(CC#N)C2)C2CCCC2)C1 ZINC000878762327 994206020 /nfs/dbraw/zinc/20/60/20/994206020.db2.gz YIYDJCDWKPWKSX-WOJBJXKFSA-N 2 1 360.502 1.494 20 30 FDEDMP COCC[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)CC1CC[NH+](C)CC1 ZINC000879122230 994555783 /nfs/dbraw/zinc/55/57/83/994555783.db2.gz JRZQCFWXHIAHPI-IBGZPJMESA-N 2 1 361.486 1.588 20 30 FDEDMP COc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1C#N ZINC000926187829 995968374 /nfs/dbraw/zinc/96/83/74/995968374.db2.gz FGKDQZLRXZYLDR-HDICACEKSA-N 2 1 369.469 1.999 20 30 FDEDMP CC(C)(C)NC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264068362 997394444 /nfs/dbraw/zinc/39/44/44/997394444.db2.gz CFKODIQDEZMHJT-UHFFFAOYSA-N 2 1 361.490 1.550 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)CC1 ZINC000283363740 999750636 /nfs/dbraw/zinc/75/06/36/999750636.db2.gz BUGWBZDVUDAFMZ-UHFFFAOYSA-N 2 1 356.470 1.566 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949084 1001645956 /nfs/dbraw/zinc/64/59/56/1001645956.db2.gz XNSRTIIYXWOYOK-RWQQGDIJSA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCc3c[nH+]c(C)n3C1)C2 ZINC001110949084 1001645958 /nfs/dbraw/zinc/64/59/58/1001645958.db2.gz XNSRTIIYXWOYOK-RWQQGDIJSA-N 2 1 358.486 1.678 20 30 FDEDMP C#Cc1ccc(NC(=O)CC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000930137269 1002861779 /nfs/dbraw/zinc/86/17/79/1002861779.db2.gz QVURRWFAKWXBOS-WIYYLYMNSA-N 2 1 368.525 1.954 20 30 FDEDMP C#Cc1ccc(NC(=O)CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000930676482 1003388151 /nfs/dbraw/zinc/38/81/51/1003388151.db2.gz XVPOLJAYWCQBFC-UHFFFAOYSA-N 2 1 355.482 1.823 20 30 FDEDMP COCC#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@](C)(c1ccccc1)N(C)C)C2 ZINC001111267974 1007405493 /nfs/dbraw/zinc/40/54/93/1007405493.db2.gz QEMPRCMQOXTPNB-JBPLPALLSA-N 2 1 369.509 1.835 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cc1OC ZINC000303793255 1009588397 /nfs/dbraw/zinc/58/83/97/1009588397.db2.gz ZFQMRZXTACHXRS-MRXNPFEDSA-N 2 1 364.490 1.465 20 30 FDEDMP C[C@H]1COCC[N@@H+]1C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528511882 539764040 /nfs/dbraw/zinc/76/40/40/539764040.db2.gz WQKGKFPDBVMHEV-LPHOPBHVSA-N 2 1 359.470 1.483 20 30 FDEDMP C[C@H]1COCC[N@H+]1C1CCN(C[C@H](O)COc2ccccc2C#N)CC1 ZINC000528511882 539764043 /nfs/dbraw/zinc/76/40/43/539764043.db2.gz WQKGKFPDBVMHEV-LPHOPBHVSA-N 2 1 359.470 1.483 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000559833026 544812690 /nfs/dbraw/zinc/81/26/90/544812690.db2.gz ICQRESSMSOWGSY-KRWDZBQOSA-N 2 1 364.534 1.524 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000057171506 522022608 /nfs/dbraw/zinc/02/26/08/522022608.db2.gz YURIEHFABYJJGT-LJQANCHMSA-N 2 1 368.525 1.659 20 30 FDEDMP CN(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1(C#N)CCCCC1 ZINC000051958555 523098837 /nfs/dbraw/zinc/09/88/37/523098837.db2.gz GDDOQMYXCPRKJF-UHFFFAOYSA-N 2 1 362.518 1.715 20 30 FDEDMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000080647334 523894663 /nfs/dbraw/zinc/89/46/63/523894663.db2.gz VCTHWPVYTCJIGZ-LJQANCHMSA-N 2 1 350.507 1.618 20 30 FDEDMP COc1cc2c(cc1CNC(=[NH2+])NCCC[NH+]1CCOCC1)O[C@@H](C)C2 ZINC000157416151 524269105 /nfs/dbraw/zinc/26/91/05/524269105.db2.gz NTYZDAVSDVVHMP-AWEZNQCLSA-N 2 1 362.474 1.145 20 30 FDEDMP C[N@H+]1CCCN(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000160680925 524946750 /nfs/dbraw/zinc/94/67/50/524946750.db2.gz QSBMITBPFODGEA-UHFFFAOYSA-N 2 1 359.396 1.949 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1 ZINC000104165624 525396987 /nfs/dbraw/zinc/39/69/87/525396987.db2.gz KTEGXERPUJDBPA-GOSISDBHSA-N 2 1 357.502 1.698 20 30 FDEDMP COc1ccc(NC(=[NH2+])NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000104167709 525398003 /nfs/dbraw/zinc/39/80/03/525398003.db2.gz HTSDJQRVJYDDBO-GOSISDBHSA-N 2 1 354.454 1.841 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)cc1OC ZINC000104183201 525398193 /nfs/dbraw/zinc/39/81/93/525398193.db2.gz AZDRKLSMARFVCW-UHFFFAOYSA-N 2 1 363.506 1.136 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)cc1OC ZINC000104183201 525398198 /nfs/dbraw/zinc/39/81/98/525398198.db2.gz AZDRKLSMARFVCW-UHFFFAOYSA-N 2 1 363.506 1.136 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)cc1OC ZINC000104183201 525398202 /nfs/dbraw/zinc/39/82/02/525398202.db2.gz AZDRKLSMARFVCW-UHFFFAOYSA-N 2 1 363.506 1.136 20 30 FDEDMP C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571748 535827133 /nfs/dbraw/zinc/82/71/33/535827133.db2.gz GDFMURGIZSGBIJ-WRURNZQNSA-N 2 1 360.546 1.818 20 30 FDEDMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000185187275 536201648 /nfs/dbraw/zinc/20/16/48/536201648.db2.gz PURSGTCPGXMFME-QGZVFWFLSA-N 2 1 357.502 1.084 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC(=O)N(CCc2ccccc2)C1 ZINC000304997976 537598850 /nfs/dbraw/zinc/59/88/50/537598850.db2.gz AQEGLZWOELPQGL-RTBURBONSA-N 2 1 371.529 1.466 20 30 FDEDMP C=CCOc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000577267925 550638324 /nfs/dbraw/zinc/63/83/24/550638324.db2.gz SPJZRCGHHXSMBP-RTBURBONSA-N 2 1 370.497 1.972 20 30 FDEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000594450043 552312801 /nfs/dbraw/zinc/31/28/01/552312801.db2.gz RJHMSKOSHCYKIW-KRWDZBQOSA-N 2 1 372.517 1.994 20 30 FDEDMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CN2CCOCC2)cc(C#N)c1=O ZINC000596284803 552670878 /nfs/dbraw/zinc/67/08/78/552670878.db2.gz FJXUEWBCHLZRNH-LJQANCHMSA-N 2 1 358.486 1.815 20 30 FDEDMP CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000598720634 552927888 /nfs/dbraw/zinc/92/78/88/552927888.db2.gz QHRGPJPSWFYUOT-MOPGFXCFSA-N 2 1 372.513 1.774 20 30 FDEDMP N#CC1(C[C@@H](O)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCOCC1 ZINC000600719560 553306603 /nfs/dbraw/zinc/30/66/03/553306603.db2.gz CGEXVOVYDRKAOK-QGZVFWFLSA-N 2 1 351.491 1.292 20 30 FDEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(Nc3ccccc3C#N)CC2)CC1 ZINC000602894238 553663893 /nfs/dbraw/zinc/66/38/93/553663893.db2.gz JALXXDKBKWTTRD-UHFFFAOYSA-N 2 1 355.486 1.599 20 30 FDEDMP CC[NH+]=C(NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)N1CCN(C(C)=O)CC1 ZINC000103893785 671593280 /nfs/dbraw/zinc/59/32/80/671593280.db2.gz GYOGWTZAQVXDBA-MRXNPFEDSA-N 2 1 351.539 1.627 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000261654704 672644033 /nfs/dbraw/zinc/64/40/33/672644033.db2.gz FIXBLNAJAFPWTG-TWMKSMIVSA-N 2 1 350.507 1.220 20 30 FDEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000261654704 672644036 /nfs/dbraw/zinc/64/40/36/672644036.db2.gz FIXBLNAJAFPWTG-TWMKSMIVSA-N 2 1 350.507 1.220 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000370568379 677592831 /nfs/dbraw/zinc/59/28/31/677592831.db2.gz IFYAROPYSFCLPC-QZTJIDSGSA-N 2 1 350.507 1.579 20 30 FDEDMP C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000425862116 680937135 /nfs/dbraw/zinc/93/71/35/680937135.db2.gz WWPBDLYOZLQROI-BZSNNMDCSA-N 2 1 352.523 1.635 20 30 FDEDMP Cc1ccc(CC#N)c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH+]1 ZINC001164754710 720964771 /nfs/dbraw/zinc/96/47/71/720964771.db2.gz UQPYRQGZFCQREI-UHFFFAOYSA-N 2 1 368.441 1.298 20 30 FDEDMP CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921618 721848303 /nfs/dbraw/zinc/84/83/03/721848303.db2.gz OPQYKBXDOFSGQS-MOPGFXCFSA-N 2 1 354.502 1.204 20 30 FDEDMP CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001164921618 721848304 /nfs/dbraw/zinc/84/83/04/721848304.db2.gz OPQYKBXDOFSGQS-MOPGFXCFSA-N 2 1 354.502 1.204 20 30 FDEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@H]1C ZINC001104287661 773065399 /nfs/dbraw/zinc/06/53/99/773065399.db2.gz JKQBSXMSLNSORA-AQNXPRMDSA-N 2 1 363.546 1.688 20 30 FDEDMP CC1(C)[C@@H](NC(=[NH2+])NCCC[NH+]2CCOCC2)C[C@@H]1OCc1ccccc1 ZINC000184651256 794529334 /nfs/dbraw/zinc/52/93/34/794529334.db2.gz GEDQDOLKKAGZFN-OALUTQOASA-N 2 1 374.529 1.997 20 30 FDEDMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000364347612 795796072 /nfs/dbraw/zinc/79/60/72/795796072.db2.gz OFEMHFXWDBFHDS-KURKYZTESA-N 2 1 362.518 1.808 20 30 FDEDMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000364347612 795796076 /nfs/dbraw/zinc/79/60/76/795796076.db2.gz OFEMHFXWDBFHDS-KURKYZTESA-N 2 1 362.518 1.808 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC000978185374 805284862 /nfs/dbraw/zinc/28/48/62/805284862.db2.gz VVKVNUIPGXZHJR-MLZLACJZSA-N 2 1 351.494 1.672 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000978185374 805284870 /nfs/dbraw/zinc/28/48/70/805284870.db2.gz VVKVNUIPGXZHJR-MLZLACJZSA-N 2 1 351.494 1.672 20 30 FDEDMP C[C@@H]1[C@H](C(=O)NC[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000978185374 805284879 /nfs/dbraw/zinc/28/48/79/805284879.db2.gz VVKVNUIPGXZHJR-MLZLACJZSA-N 2 1 351.494 1.672 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261931061 811347204 /nfs/dbraw/zinc/34/72/04/811347204.db2.gz BJIIUCFFADJUOR-CRAIPNDOSA-N 2 1 369.517 1.969 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261950656 811351725 /nfs/dbraw/zinc/35/17/25/811351725.db2.gz HFULITKRKZSQSN-QFBILLFUSA-N 2 1 371.529 1.465 20 30 FDEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000262525414 811485409 /nfs/dbraw/zinc/48/54/09/811485409.db2.gz GILYHZJEEQYAFL-UHFFFAOYSA-N 2 1 358.446 1.208 20 30 FDEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000515055565 816084682 /nfs/dbraw/zinc/08/46/82/816084682.db2.gz WYJXPBZNRXNGAV-QGZVFWFLSA-N 2 1 358.442 1.104 20 30 FDEDMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075800398 820498366 /nfs/dbraw/zinc/49/83/66/820498366.db2.gz WOXPHXUNGMIYKC-BHDDXSALSA-N 2 1 363.505 1.913 20 30 FDEDMP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]21 ZINC001075800398 820498369 /nfs/dbraw/zinc/49/83/69/820498369.db2.gz WOXPHXUNGMIYKC-BHDDXSALSA-N 2 1 363.505 1.913 20 30 FDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@H+](C)CCc2ccccc2)c1C#N ZINC000895598166 822664081 /nfs/dbraw/zinc/66/40/81/822664081.db2.gz NXNSODMYNUZEIP-UHFFFAOYSA-N 2 1 354.458 1.546 20 30 FDEDMP C[NH2+]CCCc1[nH]nc(NC(=O)C[N@@H+](C)CCc2ccccc2)c1C#N ZINC000895598166 822664082 /nfs/dbraw/zinc/66/40/82/822664082.db2.gz NXNSODMYNUZEIP-UHFFFAOYSA-N 2 1 354.458 1.546 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3conc3C)CC[C@@H]2C1 ZINC001087997824 825072522 /nfs/dbraw/zinc/07/25/22/825072522.db2.gz ASJMRYAZCBUXKM-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3conc3C)CC[C@@H]2C1 ZINC001087997824 825072529 /nfs/dbraw/zinc/07/25/29/825072529.db2.gz ASJMRYAZCBUXKM-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3conc3C)CC[C@@H]2C1 ZINC001087997824 825072535 /nfs/dbraw/zinc/07/25/35/825072535.db2.gz ASJMRYAZCBUXKM-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3conc3C)CC[C@@H]2C1 ZINC001087997824 825072543 /nfs/dbraw/zinc/07/25/43/825072543.db2.gz ASJMRYAZCBUXKM-AOIWGVFYSA-N 2 1 356.470 1.361 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)s1 ZINC001088200957 827441657 /nfs/dbraw/zinc/44/16/57/827441657.db2.gz DBFWGXRCXKFNGB-CVEARBPZSA-N 2 1 358.511 1.996 20 30 FDEDMP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1 ZINC001088234507 827598234 /nfs/dbraw/zinc/59/82/34/827598234.db2.gz UTKJUKWRSXTQKC-HSALFYBXSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001088234507 827598239 /nfs/dbraw/zinc/59/82/39/827598239.db2.gz UTKJUKWRSXTQKC-HSALFYBXSA-N 2 1 361.530 1.679 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CC2)C1 ZINC001088234507 827598244 /nfs/dbraw/zinc/59/82/44/827598244.db2.gz UTKJUKWRSXTQKC-HSALFYBXSA-N 2 1 361.530 1.679 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3ccccc3C#N)C2)CC1 ZINC000528375897 829369075 /nfs/dbraw/zinc/36/90/75/829369075.db2.gz DOPFPVUWHKTDBG-RBUKOAKNSA-N 2 1 358.486 1.010 20 30 FDEDMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000262685450 830159205 /nfs/dbraw/zinc/15/92/05/830159205.db2.gz AGGWRMKMDYCKBB-GOSISDBHSA-N 2 1 371.533 1.710 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000480979221 845995930 /nfs/dbraw/zinc/99/59/30/845995930.db2.gz LOKIPFHJJLFDFR-IXDOHACOSA-N 2 1 364.534 1.236 20 30 FDEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001076568101 848461885 /nfs/dbraw/zinc/46/18/85/848461885.db2.gz VBCYAIFUVQPXCV-TXPKVOOTSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001076568101 848461887 /nfs/dbraw/zinc/46/18/87/848461887.db2.gz VBCYAIFUVQPXCV-TXPKVOOTSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001076568101 848461890 /nfs/dbraw/zinc/46/18/90/848461890.db2.gz VBCYAIFUVQPXCV-TXPKVOOTSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001076568101 848461893 /nfs/dbraw/zinc/46/18/93/848461893.db2.gz VBCYAIFUVQPXCV-TXPKVOOTSA-N 2 1 356.445 1.682 20 30 FDEDMP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077128000 849836948 /nfs/dbraw/zinc/83/69/48/849836948.db2.gz SXLKWMUVLRNDTL-XUVXKRRUSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077128000 849836951 /nfs/dbraw/zinc/83/69/51/849836951.db2.gz SXLKWMUVLRNDTL-XUVXKRRUSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077128000 849836955 /nfs/dbraw/zinc/83/69/55/849836955.db2.gz SXLKWMUVLRNDTL-XUVXKRRUSA-N 2 1 370.497 1.197 20 30 FDEDMP CC(C)C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)C1 ZINC001077128000 849836961 /nfs/dbraw/zinc/83/69/61/849836961.db2.gz SXLKWMUVLRNDTL-XUVXKRRUSA-N 2 1 370.497 1.197 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC001106266467 874259963 /nfs/dbraw/zinc/25/99/63/874259963.db2.gz LJPCNJSSGXVGDR-AYWYSENESA-N 2 1 369.509 1.502 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC001106266467 874259967 /nfs/dbraw/zinc/25/99/67/874259967.db2.gz LJPCNJSSGXVGDR-AYWYSENESA-N 2 1 369.509 1.502 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C1 ZINC001106266501 874261831 /nfs/dbraw/zinc/26/18/31/874261831.db2.gz NJWOYMZNIHXKKU-OAGGEKHMSA-N 2 1 357.445 1.050 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCC(F)F)[C@H](C)C1 ZINC001106266501 874261840 /nfs/dbraw/zinc/26/18/40/874261840.db2.gz NJWOYMZNIHXKKU-OAGGEKHMSA-N 2 1 357.445 1.050 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=C)Br)[C@H](C)C1 ZINC001106266491 874261942 /nfs/dbraw/zinc/26/19/42/874261942.db2.gz MVNORVXXINEUPT-BMFZPTHFSA-N 2 1 368.319 1.677 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=C)Br)[C@H](C)C1 ZINC001106266491 874261949 /nfs/dbraw/zinc/26/19/49/874261949.db2.gz MVNORVXXINEUPT-BMFZPTHFSA-N 2 1 368.319 1.677 20 30 FDEDMP CCO[C@@H]1C[C@H](NC(=[NH+]C)N2CC[C@@H](C[NH+]3CCOCC3)C2)C12CCC2 ZINC000262355665 874454912 /nfs/dbraw/zinc/45/49/12/874454912.db2.gz FVDURWDOCWBWPE-OKZBNKHCSA-N 2 1 364.534 1.564 20 30 FDEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001106666860 876478919 /nfs/dbraw/zinc/47/89/19/876478919.db2.gz XKKRTNNCKACKSS-UMVBOHGHSA-N 2 1 358.324 1.921 20 30 FDEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626538 878843846 /nfs/dbraw/zinc/84/38/46/878843846.db2.gz BWCXIIUKGIBIMS-SOAMZJECSA-N 2 1 364.534 1.111 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@]2(C[NH+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626538 878843857 /nfs/dbraw/zinc/84/38/57/878843857.db2.gz BWCXIIUKGIBIMS-SOAMZJECSA-N 2 1 364.534 1.111 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C[C@]2(C[NH+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922626538 878843864 /nfs/dbraw/zinc/84/38/64/878843864.db2.gz BWCXIIUKGIBIMS-SOAMZJECSA-N 2 1 364.534 1.111 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004564 884997463 /nfs/dbraw/zinc/99/74/63/884997463.db2.gz UAPVNQFMBLJZCA-ZACQAIPSSA-N 2 1 371.489 1.606 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)[C@@H](n2ccnn2)C1 ZINC001129004564 884997467 /nfs/dbraw/zinc/99/74/67/884997467.db2.gz UAPVNQFMBLJZCA-ZACQAIPSSA-N 2 1 371.489 1.606 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129053100 885582825 /nfs/dbraw/zinc/58/28/25/885582825.db2.gz RMLTYDHURHFNQH-JQHSSLGASA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129053100 885582828 /nfs/dbraw/zinc/58/28/28/885582828.db2.gz RMLTYDHURHFNQH-JQHSSLGASA-N 2 1 360.506 1.459 20 30 FDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](n2ccnn2)C1 ZINC001129053100 885582838 /nfs/dbraw/zinc/58/28/38/885582838.db2.gz RMLTYDHURHFNQH-JQHSSLGASA-N 2 1 360.506 1.459 20 30 FDEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516926 886109514 /nfs/dbraw/zinc/10/95/14/886109514.db2.gz MWKUHRSAAAENHS-AQNXPRMDSA-N 2 1 355.482 1.172 20 30 FDEDMP C#CCC[NH+]1CCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516926 886109523 /nfs/dbraw/zinc/10/95/23/886109523.db2.gz MWKUHRSAAAENHS-AQNXPRMDSA-N 2 1 355.482 1.172 20 30 FDEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516926 886109537 /nfs/dbraw/zinc/10/95/37/886109537.db2.gz MWKUHRSAAAENHS-AQNXPRMDSA-N 2 1 355.482 1.172 20 30 FDEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001035516926 886109541 /nfs/dbraw/zinc/10/95/41/886109541.db2.gz MWKUHRSAAAENHS-AQNXPRMDSA-N 2 1 355.482 1.172 20 30 FDEDMP C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCCO[C@H](C[NH3+])C2)c(OC)c1 ZINC000923377637 889048936 /nfs/dbraw/zinc/04/89/36/889048936.db2.gz ADSHYWNRYLVXSN-DLBZAZTESA-N 2 1 350.459 1.213 20 30 FDEDMP C=CCc1ccc(OC[C@@H](O)C[N@H+]2CCCO[C@H](C[NH3+])C2)c(OC)c1 ZINC000923377637 889048948 /nfs/dbraw/zinc/04/89/48/889048948.db2.gz ADSHYWNRYLVXSN-DLBZAZTESA-N 2 1 350.459 1.213 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923402562 889141931 /nfs/dbraw/zinc/14/19/31/889141931.db2.gz YEKIHBFBRPJETH-RRFJBIMHSA-N 2 1 357.376 1.757 20 30 FDEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923402562 889141934 /nfs/dbraw/zinc/14/19/34/889141934.db2.gz YEKIHBFBRPJETH-RRFJBIMHSA-N 2 1 357.376 1.757 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(OC)cc2)CC1 ZINC000923408690 889174039 /nfs/dbraw/zinc/17/40/39/889174039.db2.gz FDBYFAQMRYOVQT-LJQANCHMSA-N 2 1 370.497 1.666 20 30 FDEDMP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(OC)cc2)CC1 ZINC000923408690 889174048 /nfs/dbraw/zinc/17/40/48/889174048.db2.gz FDBYFAQMRYOVQT-LJQANCHMSA-N 2 1 370.497 1.666 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212281762 889364790 /nfs/dbraw/zinc/36/47/90/889364790.db2.gz AITOVTCSFHZHFW-IAGOWNOFSA-N 2 1 353.507 1.269 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](OC)C1 ZINC001212281762 889364810 /nfs/dbraw/zinc/36/48/10/889364810.db2.gz AITOVTCSFHZHFW-IAGOWNOFSA-N 2 1 353.507 1.269 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000671082063 896162468 /nfs/dbraw/zinc/16/24/68/896162468.db2.gz QPFZBSZDSZVMQO-SJORKVTESA-N 2 1 350.507 1.012 20 30 FDEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999987537 896520310 /nfs/dbraw/zinc/52/03/10/896520310.db2.gz PLWCSOFAOHLZFT-FGTMMUONSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999987537 896520320 /nfs/dbraw/zinc/52/03/20/896520320.db2.gz PLWCSOFAOHLZFT-FGTMMUONSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999987537 896520331 /nfs/dbraw/zinc/52/03/31/896520331.db2.gz PLWCSOFAOHLZFT-FGTMMUONSA-N 2 1 360.506 1.448 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3ccccc3)C[C@H]2O)CC1 ZINC001078227052 898427764 /nfs/dbraw/zinc/42/77/64/898427764.db2.gz GZWZGUVVSFSYAX-PWIZWCRZSA-N 2 1 355.482 1.254 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@H](C[NH2+]Cc3ccc(C#N)cc3)C2)CC[N@H+]1C ZINC001078405418 898748585 /nfs/dbraw/zinc/74/85/85/898748585.db2.gz MQUNDXMUKHLGBQ-NSISKUIASA-N 2 1 370.497 1.606 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001079135902 902003345 /nfs/dbraw/zinc/00/33/45/902003345.db2.gz UHPOBMYIMBFKHL-CWJKEVGVSA-N 2 1 371.525 1.977 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135902 902003360 /nfs/dbraw/zinc/00/33/60/902003360.db2.gz UHPOBMYIMBFKHL-CWJKEVGVSA-N 2 1 371.525 1.977 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001079135902 902003363 /nfs/dbraw/zinc/00/33/63/902003363.db2.gz UHPOBMYIMBFKHL-CWJKEVGVSA-N 2 1 371.525 1.977 20 30 FDEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546827 905522050 /nfs/dbraw/zinc/52/20/50/905522050.db2.gz QMWLJTBKHQSELK-MBOZVWFJSA-N 2 1 362.518 1.134 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546827 905522059 /nfs/dbraw/zinc/52/20/59/905522059.db2.gz QMWLJTBKHQSELK-MBOZVWFJSA-N 2 1 362.518 1.134 20 30 FDEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546827 905522069 /nfs/dbraw/zinc/52/20/69/905522069.db2.gz QMWLJTBKHQSELK-MBOZVWFJSA-N 2 1 362.518 1.134 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160021 906088540 /nfs/dbraw/zinc/08/85/40/906088540.db2.gz YGCNKJXHXICIME-IYWMVGAKSA-N 2 1 355.482 1.171 20 30 FDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160021 906088558 /nfs/dbraw/zinc/08/85/58/906088558.db2.gz YGCNKJXHXICIME-IYWMVGAKSA-N 2 1 355.482 1.171 20 30 FDEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](OC)C1 ZINC001082160021 906088573 /nfs/dbraw/zinc/08/85/73/906088573.db2.gz YGCNKJXHXICIME-IYWMVGAKSA-N 2 1 355.482 1.171 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2C)CC1 ZINC001080998361 906975918 /nfs/dbraw/zinc/97/59/18/906975918.db2.gz YZUFAAAYFAMDNI-DNVCBOLYSA-N 2 1 357.502 1.010 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1ccccc1 ZINC001081170983 907293724 /nfs/dbraw/zinc/29/37/24/907293724.db2.gz YBYZVPGWLMMWAW-HLAWJBBLSA-N 2 1 362.477 1.971 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC001082447623 907808932 /nfs/dbraw/zinc/80/89/32/907808932.db2.gz HUMBCEJVNQIZNR-ATZDWAIDSA-N 2 1 356.470 1.620 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001082567975 908705237 /nfs/dbraw/zinc/70/52/37/908705237.db2.gz PDKHJVJKKBFUOW-NXHRZFHOSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)nc2)C1 ZINC001082567975 908705245 /nfs/dbraw/zinc/70/52/45/908705245.db2.gz PDKHJVJKKBFUOW-NXHRZFHOSA-N 2 1 356.470 1.124 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799046 930439910 /nfs/dbraw/zinc/43/99/10/930439910.db2.gz GMIDPTXILRQOIJ-BGTYHANMSA-N 2 1 362.518 1.131 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799046 930439912 /nfs/dbraw/zinc/43/99/12/930439912.db2.gz GMIDPTXILRQOIJ-BGTYHANMSA-N 2 1 362.518 1.131 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109865217 930637154 /nfs/dbraw/zinc/63/71/54/930637154.db2.gz KNOITPIUDVGUEG-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109865217 930637160 /nfs/dbraw/zinc/63/71/60/930637160.db2.gz KNOITPIUDVGUEG-SQNIBIBYSA-N 2 1 364.534 1.474 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129454126 938421455 /nfs/dbraw/zinc/42/14/55/938421455.db2.gz WIGOGEBMQMZWGT-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892345 938543255 /nfs/dbraw/zinc/54/32/55/938543255.db2.gz SJTOBGNBIUAVFB-KSZLIROESA-N 2 1 360.506 1.459 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001130026151 938629146 /nfs/dbraw/zinc/62/91/46/938629146.db2.gz CXERBBPHLVDMRR-SJORKVTESA-N 2 1 371.489 1.606 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(=C)C)C1 ZINC001130610831 939908190 /nfs/dbraw/zinc/90/81/90/939908190.db2.gz SPWHQAHLCSAXRN-SXLOBPIMSA-N 2 1 369.513 1.368 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(=C)C)C1 ZINC001130610831 939908192 /nfs/dbraw/zinc/90/81/92/939908192.db2.gz SPWHQAHLCSAXRN-SXLOBPIMSA-N 2 1 369.513 1.368 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cn(C)cn1 ZINC001130604500 939915648 /nfs/dbraw/zinc/91/56/48/939915648.db2.gz DKYUICHSKIIRNL-UHOSZYNNSA-N 2 1 359.518 1.755 20 30 FDEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCC[NH+](C)C)n[nH]2)O1 ZINC001130817317 940221620 /nfs/dbraw/zinc/22/16/20/940221620.db2.gz LSTUHKPMCNEOMP-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001131606797 940784513 /nfs/dbraw/zinc/78/45/13/940784513.db2.gz GNJAEYRKJQRIMW-QYZOEREBSA-N 2 1 365.518 1.269 20 30 FDEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001131606797 940784516 /nfs/dbraw/zinc/78/45/16/940784516.db2.gz GNJAEYRKJQRIMW-QYZOEREBSA-N 2 1 365.518 1.269 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001086731923 942004220 /nfs/dbraw/zinc/00/42/20/942004220.db2.gz KVYDRNOGDOLQNU-WOUAJJJCSA-N 2 1 370.497 1.652 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)O1 ZINC001086731923 942004223 /nfs/dbraw/zinc/00/42/23/942004223.db2.gz KVYDRNOGDOLQNU-WOUAJJJCSA-N 2 1 370.497 1.652 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000818599384 943327814 /nfs/dbraw/zinc/32/78/14/943327814.db2.gz NJSNOLVXVKIIPK-KRWDZBQOSA-N 2 1 360.477 1.408 20 30 FDEDMP N#CCc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000819060824 943400137 /nfs/dbraw/zinc/40/01/37/943400137.db2.gz IOORQHIHVDZRES-CTNGQTDRSA-N 2 1 373.497 1.725 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090867396 947370758 /nfs/dbraw/zinc/37/07/58/947370758.db2.gz MOEVNNZUJIYXQD-OTWHNJEPSA-N 2 1 359.470 1.096 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090867396 947370774 /nfs/dbraw/zinc/37/07/74/947370774.db2.gz MOEVNNZUJIYXQD-OTWHNJEPSA-N 2 1 359.470 1.096 20 30 FDEDMP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O)CC(C)(C)C ZINC001196200205 971535758 /nfs/dbraw/zinc/53/57/58/971535758.db2.gz SPFGJDQHRHOPQA-QZTJIDSGSA-N 2 1 358.486 1.197 20 30 FDEDMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H]1O)CC(C)(C)C ZINC001196200205 971535762 /nfs/dbraw/zinc/53/57/62/971535762.db2.gz SPFGJDQHRHOPQA-QZTJIDSGSA-N 2 1 358.486 1.197 20 30 FDEDMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O)CC(C)(C)C ZINC001196200205 971535766 /nfs/dbraw/zinc/53/57/66/971535766.db2.gz SPFGJDQHRHOPQA-QZTJIDSGSA-N 2 1 358.486 1.197 20 30 FDEDMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1O)CC(C)(C)C ZINC001196200205 971535771 /nfs/dbraw/zinc/53/57/71/971535771.db2.gz SPFGJDQHRHOPQA-QZTJIDSGSA-N 2 1 358.486 1.197 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735077 952754145 /nfs/dbraw/zinc/75/41/45/952754145.db2.gz IDEBNXWNHDDCNP-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735077 952754146 /nfs/dbraw/zinc/75/41/46/952754146.db2.gz IDEBNXWNHDDCNP-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP C#CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735077 952754150 /nfs/dbraw/zinc/75/41/50/952754150.db2.gz IDEBNXWNHDDCNP-LMNJBCLMSA-N 2 1 359.514 1.433 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@H]3C[NH+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092272257 954652004 /nfs/dbraw/zinc/65/20/04/954652004.db2.gz BGYYTRPVAKUDKN-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@H+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092272257 954652007 /nfs/dbraw/zinc/65/20/07/954652007.db2.gz BGYYTRPVAKUDKN-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092272257 954652009 /nfs/dbraw/zinc/65/20/09/954652009.db2.gz BGYYTRPVAKUDKN-CDXJDZJCSA-N 2 1 370.472 1.929 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092615757 955824797 /nfs/dbraw/zinc/82/47/97/955824797.db2.gz OYNSVWVDHUYHOI-AFYVEPGGSA-N 2 1 361.530 1.441 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206507 972148823 /nfs/dbraw/zinc/14/88/23/972148823.db2.gz QELWSBBKUPEPSJ-ZTFGCOKTSA-N 2 1 355.442 1.397 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC001197206507 972148826 /nfs/dbraw/zinc/14/88/26/972148826.db2.gz QELWSBBKUPEPSJ-ZTFGCOKTSA-N 2 1 355.442 1.397 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2C)CC1 ZINC001093224483 957855308 /nfs/dbraw/zinc/85/53/08/957855308.db2.gz YQMRYUZCKYPSOU-MISYRCLQSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2csc(C)n2)[C@H](C)C1 ZINC001093832842 958925784 /nfs/dbraw/zinc/92/57/84/958925784.db2.gz CHPWPCRDPKAROD-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2csc(C)n2)[C@H](C)C1 ZINC001093832842 958925788 /nfs/dbraw/zinc/92/57/88/958925788.db2.gz CHPWPCRDPKAROD-KYJSFNMBSA-N 2 1 360.527 1.733 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccn2CC)[C@H](C)C1 ZINC001093832847 958926225 /nfs/dbraw/zinc/92/62/25/958926225.db2.gz COIZWFGJNSLSPN-KURKYZTESA-N 2 1 357.502 1.185 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nccn2CC)[C@H](C)C1 ZINC001093832847 958926233 /nfs/dbraw/zinc/92/62/33/958926233.db2.gz COIZWFGJNSLSPN-KURKYZTESA-N 2 1 357.502 1.185 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC001093832972 958927407 /nfs/dbraw/zinc/92/74/07/958927407.db2.gz LJVWILANLVKDNV-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC001093832972 958927412 /nfs/dbraw/zinc/92/74/12/958927412.db2.gz LJVWILANLVKDNV-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC001094219070 960035372 /nfs/dbraw/zinc/03/53/72/960035372.db2.gz CHBQCTBLWGZTSZ-ZTFGCOKTSA-N 2 1 358.461 1.833 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000775789308 972502790 /nfs/dbraw/zinc/50/27/90/972502790.db2.gz CPFNGVBGZJQPES-SFTDATJTSA-N 2 1 369.509 1.800 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)[C@@H]1CCCO1 ZINC000775789308 972502794 /nfs/dbraw/zinc/50/27/94/972502794.db2.gz CPFNGVBGZJQPES-SFTDATJTSA-N 2 1 369.509 1.800 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](C[C@@H](C)OC)CC3)CC1 ZINC001094581461 960879806 /nfs/dbraw/zinc/87/98/06/960879806.db2.gz BOXKTESDZWMQJG-YFVAEKQCSA-N 2 1 361.530 1.727 20 30 FDEDMP C[NH+](C)CCN1CC[NH+]([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172980989 961864174 /nfs/dbraw/zinc/86/41/74/961864174.db2.gz RPMHKDJUTKWZTO-SJORKVTESA-N 2 1 365.522 1.457 20 30 FDEDMP C=C(C)CN(CC)C(=O)CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237980 967683442 /nfs/dbraw/zinc/68/34/42/967683442.db2.gz GQYABXXPMZSCOJ-FGTMMUONSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237980 967683448 /nfs/dbraw/zinc/68/34/48/967683448.db2.gz GQYABXXPMZSCOJ-FGTMMUONSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237980 967683454 /nfs/dbraw/zinc/68/34/54/967683454.db2.gz GQYABXXPMZSCOJ-FGTMMUONSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237980 967683460 /nfs/dbraw/zinc/68/34/60/967683460.db2.gz GQYABXXPMZSCOJ-FGTMMUONSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237980 967683464 /nfs/dbraw/zinc/68/34/64/967683464.db2.gz GQYABXXPMZSCOJ-FGTMMUONSA-N 2 1 364.534 1.284 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194103073 970018930 /nfs/dbraw/zinc/01/89/30/970018930.db2.gz UFWPHZQPWBIWER-QZTJIDSGSA-N 2 1 369.550 1.477 20 30 FDEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O ZINC001197996828 972670522 /nfs/dbraw/zinc/67/05/22/972670522.db2.gz IFDJXWJPZJGSNC-QZTJIDSGSA-N 2 1 362.449 1.091 20 30 FDEDMP CCCC[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)NCc1ccc(C)cc1 ZINC000849057971 977298184 /nfs/dbraw/zinc/29/81/84/977298184.db2.gz HGPLSYBDZHKTDK-UHFFFAOYSA-N 2 1 373.545 1.994 20 30 FDEDMP C[N@H+]1CCC[C@H](CCNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000849115601 977327920 /nfs/dbraw/zinc/32/79/20/977327920.db2.gz AOIPCIYVIQQHFS-CVEARBPZSA-N 2 1 365.522 1.599 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000884106904 982876373 /nfs/dbraw/zinc/87/63/73/982876373.db2.gz FLVDVQXUQFGVLU-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000884106904 982876386 /nfs/dbraw/zinc/87/63/86/982876386.db2.gz FLVDVQXUQFGVLU-SFHVURJKSA-N 2 1 358.486 1.524 20 30 FDEDMP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[N@@H+]1Cc1ccccc1 ZINC000884427117 983149803 /nfs/dbraw/zinc/14/98/03/983149803.db2.gz IFNMRFFJVDFRTI-OHESCVLLSA-N 2 1 352.482 1.859 20 30 FDEDMP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[N@H+]1Cc1ccccc1 ZINC000884427117 983149804 /nfs/dbraw/zinc/14/98/04/983149804.db2.gz IFNMRFFJVDFRTI-OHESCVLLSA-N 2 1 352.482 1.859 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCCN([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193243 988939892 /nfs/dbraw/zinc/93/98/92/988939892.db2.gz FURQGWUQHGJCJT-QRVBRYPASA-N 2 1 374.529 1.347 20 30 FDEDMP C=CCN1CC[C@@H](N(C)[C@@H]2CCC[N@@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193243 988939893 /nfs/dbraw/zinc/93/98/93/988939893.db2.gz FURQGWUQHGJCJT-QRVBRYPASA-N 2 1 374.529 1.347 20 30 FDEDMP C=CCN1CC[C@@H](N(C)[C@@H]2CCC[N@H+]([C@H]3CCN(CC=C)C3=O)CC2)C1=O ZINC000367193243 988939897 /nfs/dbraw/zinc/93/98/97/988939897.db2.gz FURQGWUQHGJCJT-QRVBRYPASA-N 2 1 374.529 1.347 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(C#N)ccc3OC)C2)CC[N@H+]1C ZINC000968738503 1015596126 /nfs/dbraw/zinc/59/61/26/1015596126.db2.gz XRJFDIVPJFMCMV-CEXWTWQISA-N 2 1 370.497 1.988 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000876780005 992905096 /nfs/dbraw/zinc/90/50/96/992905096.db2.gz AKDNJBCRZBHHEB-WBVHZDCISA-N 2 1 350.894 1.783 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000876784795 992912593 /nfs/dbraw/zinc/91/25/93/992912593.db2.gz KEOQFMUXLYSUMZ-RDJZCZTQSA-N 2 1 350.894 1.783 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000264114002 997404341 /nfs/dbraw/zinc/40/43/41/997404341.db2.gz PNMMQGJHENIHCL-NVXWUHKLSA-N 2 1 360.506 1.195 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857917 999054660 /nfs/dbraw/zinc/05/46/60/999054660.db2.gz WYYDKRLUNHECEL-QRVBRYPASA-N 2 1 361.530 1.870 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001110857917 999054666 /nfs/dbraw/zinc/05/46/66/999054666.db2.gz WYYDKRLUNHECEL-QRVBRYPASA-N 2 1 361.530 1.870 20 30 FDEDMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000269480373 999468710 /nfs/dbraw/zinc/46/87/10/999468710.db2.gz WGZAWNZIAZUVRN-QGZVFWFLSA-N 2 1 359.522 1.281 20 30 FDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001110942676 1001436818 /nfs/dbraw/zinc/43/68/18/1001436818.db2.gz XTLASIDVJVDFNV-BDXSIMOUSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001110942676 1001436819 /nfs/dbraw/zinc/43/68/19/1001436819.db2.gz XTLASIDVJVDFNV-BDXSIMOUSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942676 1001436821 /nfs/dbraw/zinc/43/68/21/1001436821.db2.gz XTLASIDVJVDFNV-BDXSIMOUSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001110942676 1001436825 /nfs/dbraw/zinc/43/68/25/1001436825.db2.gz XTLASIDVJVDFNV-BDXSIMOUSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000948929724 1002834301 /nfs/dbraw/zinc/83/43/01/1002834301.db2.gz RNFJCDSFTJHIDH-LSTHTHJFSA-N 2 1 357.498 1.997 20 30 FDEDMP C=CCC[NH+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000948929724 1002834315 /nfs/dbraw/zinc/83/43/15/1002834315.db2.gz RNFJCDSFTJHIDH-LSTHTHJFSA-N 2 1 357.498 1.997 20 30 FDEDMP C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929724 1002834330 /nfs/dbraw/zinc/83/43/30/1002834330.db2.gz RNFJCDSFTJHIDH-LSTHTHJFSA-N 2 1 357.498 1.997 20 30 FDEDMP C=CCC[N@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC000948929724 1002834348 /nfs/dbraw/zinc/83/43/48/1002834348.db2.gz RNFJCDSFTJHIDH-LSTHTHJFSA-N 2 1 357.498 1.997 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CCO2 ZINC000949099009 1002988953 /nfs/dbraw/zinc/98/89/53/1002988953.db2.gz RCFMVUOJSHWAKN-HZPDHXFCSA-N 2 1 355.910 1.773 20 30 FDEDMP C=C(Cl)C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC000949099009 1002988954 /nfs/dbraw/zinc/98/89/54/1002988954.db2.gz RCFMVUOJSHWAKN-HZPDHXFCSA-N 2 1 355.910 1.773 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145570 1006442348 /nfs/dbraw/zinc/44/23/48/1006442348.db2.gz MIBHNQNTNNALJL-AQNXPRMDSA-N 2 1 355.482 1.733 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C2 ZINC001111145570 1006442359 /nfs/dbraw/zinc/44/23/59/1006442359.db2.gz MIBHNQNTNNALJL-AQNXPRMDSA-N 2 1 355.482 1.733 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000303867187 1009643571 /nfs/dbraw/zinc/64/35/71/1009643571.db2.gz CTKXAOQDPLVQRI-UXHICEINSA-N 2 1 373.545 1.757 20 30 FDEDMP CC[N@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000304995449 1010687759 /nfs/dbraw/zinc/68/77/59/1010687759.db2.gz FOKVNPFQRNMOLZ-HZPDHXFCSA-N 2 1 365.522 1.741 20 30 FDEDMP N#Cc1ccc(CN2CCN(C(=O)NCC[NH+]3CCSCC3)CC2)cc1 ZINC000264823774 179211944 /nfs/dbraw/zinc/21/19/44/179211944.db2.gz CZPYTBUBRMYRAP-UHFFFAOYSA-N 2 1 373.526 1.434 20 30 FDEDMP CCN1CC[NH+](CCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)CC1 ZINC000081300857 172186772 /nfs/dbraw/zinc/18/67/72/172186772.db2.gz BFBIFQXWZJJMMY-UHFFFAOYSA-N 2 1 371.529 1.476 20 30 FDEDMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000368455502 260185604 /nfs/dbraw/zinc/18/56/04/260185604.db2.gz QLOZSMZCCZLPFX-LJQANCHMSA-N 2 1 358.486 1.558 20 30 FDEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000368455502 260185605 /nfs/dbraw/zinc/18/56/05/260185605.db2.gz QLOZSMZCCZLPFX-LJQANCHMSA-N 2 1 358.486 1.558 20 30 FDEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000162567411 525278947 /nfs/dbraw/zinc/27/89/47/525278947.db2.gz BUPYYHVOILPVSQ-LJQANCHMSA-N 2 1 356.470 1.566 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1CN1CCOCC1 ZINC000104156847 525397496 /nfs/dbraw/zinc/39/74/96/525397496.db2.gz OGOFDFQYMYSJBW-IBGZPJMESA-N 2 1 359.518 1.407 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000104156847 525397505 /nfs/dbraw/zinc/39/75/05/525397505.db2.gz OGOFDFQYMYSJBW-IBGZPJMESA-N 3 1 359.518 1.407 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1C[NH+]1CCOCC1 ZINC000104156847 525397512 /nfs/dbraw/zinc/39/75/12/525397512.db2.gz OGOFDFQYMYSJBW-IBGZPJMESA-N 3 1 359.518 1.407 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000180873077 525767869 /nfs/dbraw/zinc/76/78/69/525767869.db2.gz VYVITKKOPRVWIJ-OAQYLSRUSA-N 2 1 369.509 1.605 20 30 FDEDMP CC1CCN(c2ccc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)cn2)CC1 ZINC000264153337 537138903 /nfs/dbraw/zinc/13/89/03/537138903.db2.gz ZWQAWJCOLMESKW-UHFFFAOYSA-N 2 1 374.533 1.445 20 30 FDEDMP Cn1cc(CN2C[C@@H](F)C[C@H]2CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000329924400 537646665 /nfs/dbraw/zinc/64/66/65/537646665.db2.gz UZYULXWDADWLQG-UXLLHSPISA-N 2 1 364.469 1.073 20 30 FDEDMP C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375833849 537778824 /nfs/dbraw/zinc/77/88/24/537778824.db2.gz VNLRQDPIIGPAOT-PMACEKPBSA-N 2 1 372.513 1.398 20 30 FDEDMP C=CCN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372462976 537957484 /nfs/dbraw/zinc/95/74/84/537957484.db2.gz JOQPAQZXXZNUQB-KRWDZBQOSA-N 2 1 365.481 1.958 20 30 FDEDMP N#Cc1ccc(N2CCC([NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)cc1 ZINC000560526437 545535877 /nfs/dbraw/zinc/53/58/77/545535877.db2.gz GUUARKSBOXJCQL-GOSISDBHSA-N 2 1 369.513 1.704 20 30 FDEDMP Cc1cc(N2CCC([NH2+][C@H](C(N)=O)c3ccc(C#N)cc3)CC2)nc(C)[nH+]1 ZINC000494734636 538584363 /nfs/dbraw/zinc/58/43/63/538584363.db2.gz HHMBKTXQRPXIBI-IBGZPJMESA-N 2 1 364.453 1.750 20 30 FDEDMP N#Cc1ccc(NC(=O)CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000572769320 549990884 /nfs/dbraw/zinc/99/08/84/549990884.db2.gz WOFFPRJMDSYBHQ-UHFFFAOYSA-N 2 1 356.470 1.713 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000579389059 550868553 /nfs/dbraw/zinc/86/85/53/550868553.db2.gz XMKXCZFETACVFM-FUHWJXTLSA-N 2 1 364.534 1.332 20 30 FDEDMP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC(F)(F)C[NH3+])CC2)c1 ZINC000593714016 552180921 /nfs/dbraw/zinc/18/09/21/552180921.db2.gz HTQXXZOACJOIIL-UHFFFAOYSA-N 2 1 351.401 1.416 20 30 FDEDMP C[C@]1(F)C[NH2+]CCN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593720416 552182236 /nfs/dbraw/zinc/18/22/36/552182236.db2.gz KSYXPTPJLZCOOF-FQEVSTJZSA-N 2 1 373.476 1.866 20 30 FDEDMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c2)CC1 ZINC000594438759 552310183 /nfs/dbraw/zinc/31/01/83/552310183.db2.gz LHGJLYKOXJECRY-GOSISDBHSA-N 2 1 371.485 1.353 20 30 FDEDMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438807 552310411 /nfs/dbraw/zinc/31/04/11/552310411.db2.gz LVCBWOAERKLEAN-PKOBYXMFSA-N 2 1 357.502 1.725 20 30 FDEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000594439032 552310539 /nfs/dbraw/zinc/31/05/39/552310539.db2.gz NCYNSAUNIFKMPS-QXAKKESOSA-N 2 1 358.486 1.803 20 30 FDEDMP C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000594439032 552310540 /nfs/dbraw/zinc/31/05/40/552310540.db2.gz NCYNSAUNIFKMPS-QXAKKESOSA-N 2 1 358.486 1.803 20 30 FDEDMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)c2cccs2)CC1 ZINC000598703363 552927035 /nfs/dbraw/zinc/92/70/35/552927035.db2.gz GZIXGEGLVPXTIZ-JKSUJKDBSA-N 2 1 350.532 1.927 20 30 FDEDMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cc2)CC1 ZINC000600720445 553307146 /nfs/dbraw/zinc/30/71/46/553307146.db2.gz YJRAWBFSFSNIGO-SFHVURJKSA-N 2 1 356.470 1.219 20 30 FDEDMP Cc1cc(N2CCC([NH2+]C[C@@H](O)CC3(C#N)CCOCC3)CC2)nc(C)[nH+]1 ZINC000600731433 553308985 /nfs/dbraw/zinc/30/89/85/553308985.db2.gz XHIRGLHFMXSPGA-SFHVURJKSA-N 2 1 373.501 1.723 20 30 FDEDMP CC(C)[C@H](C#N)N1CCN(C(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)CC1 ZINC000602876212 553657361 /nfs/dbraw/zinc/65/73/61/553657361.db2.gz GAJLGXZDJWDIHU-SFHVURJKSA-N 2 1 361.534 1.096 20 30 FDEDMP CC[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CCS[C@H](C(C)C)C1 ZINC000153754386 671908322 /nfs/dbraw/zinc/90/83/22/671908322.db2.gz NSLQQQXVYWENMK-KRWDZBQOSA-N 2 1 355.596 1.663 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC(OC[C@H]2CCCCO2)CC1 ZINC000245743578 672461622 /nfs/dbraw/zinc/46/16/22/672461622.db2.gz VWILQBHZWHMNIZ-FUHWJXTLSA-N 2 1 352.523 1.564 20 30 FDEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCC(OC(C)(C)C)CC1 ZINC000261848368 672682451 /nfs/dbraw/zinc/68/24/51/672682451.db2.gz XRZFVTGHWPOGHY-INIZCTEOSA-N 2 1 353.555 1.477 20 30 FDEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(c2cccs2)CC1 ZINC000261969873 672704913 /nfs/dbraw/zinc/70/49/13/672704913.db2.gz MNFMGNQONYNBHF-KRWDZBQOSA-N 2 1 367.588 1.883 20 30 FDEDMP CC[NH+]=C(NC[C@@]1(N(C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262812963 672851297 /nfs/dbraw/zinc/85/12/97/672851297.db2.gz UWVZEPYKLLPPCO-PHSGOXPASA-N 2 1 367.607 1.994 20 30 FDEDMP CC[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000262812963 672851302 /nfs/dbraw/zinc/85/13/02/672851302.db2.gz UWVZEPYKLLPPCO-PHSGOXPASA-N 3 1 367.607 1.994 20 30 FDEDMP CC[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262812963 672851306 /nfs/dbraw/zinc/85/13/06/672851306.db2.gz UWVZEPYKLLPPCO-PHSGOXPASA-N 3 1 367.607 1.994 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1Br ZINC000264056239 672898978 /nfs/dbraw/zinc/89/89/78/672898978.db2.gz BAYYJGWAHZMWRH-UHFFFAOYSA-N 2 1 355.280 1.576 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000264107572 672901630 /nfs/dbraw/zinc/90/16/30/672901630.db2.gz OESCECUYDMBPMD-SNVBAGLBSA-N 2 1 357.380 1.431 20 30 FDEDMP C[C@H]1CCC[N@@H+](CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303871580 676543263 /nfs/dbraw/zinc/54/32/63/676543263.db2.gz BRZZFJFYYBOCBA-HNNXBMFYSA-N 2 1 353.511 1.586 20 30 FDEDMP COc1ccc(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1Cl ZINC000303880594 676543535 /nfs/dbraw/zinc/54/35/35/676543535.db2.gz KIBHMLASJUISTF-ZDUSSCGKSA-N 2 1 353.898 1.959 20 30 FDEDMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=[NH2+])NCCC[NH+]2CCOCC2)C1 ZINC000303902437 676543654 /nfs/dbraw/zinc/54/36/54/676543654.db2.gz UAFBUBBCSWAEJV-ROUUACIJSA-N 3 1 353.555 1.371 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000305718948 676545236 /nfs/dbraw/zinc/54/52/36/676545236.db2.gz HVSPVMCGJYADQJ-LSDHHAIUSA-N 2 1 353.511 1.678 20 30 FDEDMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C[N@H+]1C1CC1 ZINC000328614782 676600070 /nfs/dbraw/zinc/60/00/70/676600070.db2.gz RIGYUNKLDSLHNS-CVEARBPZSA-N 2 1 350.507 1.760 20 30 FDEDMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329304966 676632137 /nfs/dbraw/zinc/63/21/37/676632137.db2.gz YECCWDSXVKCRMO-IAGOWNOFSA-N 2 1 370.563 1.307 20 30 FDEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C)C1 ZINC000329411145 676637614 /nfs/dbraw/zinc/63/76/14/676637614.db2.gz BSVDTUCHFTUJQR-IRXDYDNUSA-N 2 1 354.539 1.942 20 30 FDEDMP C#CCSCCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370025210 677537126 /nfs/dbraw/zinc/53/71/26/677537126.db2.gz CVWXJUAHFHKDGQ-UHFFFAOYSA-N 2 1 366.575 1.848 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)cn2)C1 ZINC001104305967 774437115 /nfs/dbraw/zinc/43/71/15/774437115.db2.gz CMZNNGWFSYWRSE-POAQFYNOSA-N 2 1 369.513 1.457 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnc(C)cn2)C1 ZINC001104305967 774437118 /nfs/dbraw/zinc/43/71/18/774437118.db2.gz CMZNNGWFSYWRSE-POAQFYNOSA-N 2 1 369.513 1.457 20 30 FDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579399 788465725 /nfs/dbraw/zinc/46/57/25/788465725.db2.gz BJBUNXAZJCNSNJ-QRVBRYPASA-N 2 1 367.534 1.372 20 30 FDEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579399 788465731 /nfs/dbraw/zinc/46/57/31/788465731.db2.gz BJBUNXAZJCNSNJ-QRVBRYPASA-N 2 1 367.534 1.372 20 30 FDEDMP [NH2+]=C(NCCc1ccccc1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000180454168 793670133 /nfs/dbraw/zinc/67/01/33/793670133.db2.gz YPPFEHPEJZIFIQ-HXUWFJFHSA-N 2 1 352.482 1.900 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104939003 794489611 /nfs/dbraw/zinc/48/96/11/794489611.db2.gz GFMBWSPJUSAWSF-BRWVUGGUSA-N 2 1 352.523 1.093 20 30 FDEDMP C[C@@]1(CNC(=[NH2+])NCCCN2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000162456782 795346888 /nfs/dbraw/zinc/34/68/88/795346888.db2.gz UTTGRTNWEUPUTJ-NRFANRHFSA-N 2 1 373.545 1.668 20 30 FDEDMP C[C@@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000162456782 795346899 /nfs/dbraw/zinc/34/68/99/795346899.db2.gz UTTGRTNWEUPUTJ-NRFANRHFSA-N 3 1 373.545 1.668 20 30 FDEDMP C[C@@]1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCC[N@H+]1Cc1ccccc1 ZINC000162456782 795346903 /nfs/dbraw/zinc/34/69/03/795346903.db2.gz UTTGRTNWEUPUTJ-NRFANRHFSA-N 3 1 373.545 1.668 20 30 FDEDMP COCC[NH2+]CCNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000418515405 796064669 /nfs/dbraw/zinc/06/46/69/796064669.db2.gz YIICJQGYAQPPPP-UHFFFAOYSA-N 2 1 359.474 1.012 20 30 FDEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001112530488 806587583 /nfs/dbraw/zinc/58/75/83/806587583.db2.gz WZXALAOKXVRIIP-WFXMLNOXSA-N 2 1 354.498 1.996 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001026852852 800006840 /nfs/dbraw/zinc/00/68/40/800006840.db2.gz RFKDLLQRDGCQFL-HHXXYDBFSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cc1C#N ZINC001027891874 806861090 /nfs/dbraw/zinc/86/10/90/806861090.db2.gz JXMMILQFIRCDFM-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C#N ZINC001027891874 806861097 /nfs/dbraw/zinc/86/10/97/806861097.db2.gz JXMMILQFIRCDFM-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP COc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC001027891874 806861104 /nfs/dbraw/zinc/86/11/04/806861104.db2.gz JXMMILQFIRCDFM-ATZDWAIDSA-N 2 1 370.497 1.988 20 30 FDEDMP C=CC[C@@]1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000662674721 806950057 /nfs/dbraw/zinc/95/00/57/806950057.db2.gz FVYWFVMGEXURKB-NRFANRHFSA-N 2 1 370.497 1.389 20 30 FDEDMP C=CC[C@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000662759743 803088670 /nfs/dbraw/zinc/08/86/70/803088670.db2.gz VRXXNZYDJVALIK-HXUWFJFHSA-N 2 1 357.502 1.408 20 30 FDEDMP C=CC[C@@]1(C(=O)NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941541 804590396 /nfs/dbraw/zinc/59/03/96/804590396.db2.gz XJMIOQYZIIZHEI-CTNGQTDRSA-N 2 1 356.514 1.617 20 30 FDEDMP C=CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941541 804590400 /nfs/dbraw/zinc/59/04/00/804590400.db2.gz XJMIOQYZIIZHEI-CTNGQTDRSA-N 2 1 356.514 1.617 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978175632 805252780 /nfs/dbraw/zinc/25/27/80/805252780.db2.gz HDGRXIXPBLNOPA-UEDWAMCQSA-N 2 1 361.530 1.603 20 30 FDEDMP C=CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001087430694 807135494 /nfs/dbraw/zinc/13/54/94/807135494.db2.gz CQHUJRKHGHHEPA-VBSBHUPXSA-N 2 1 357.498 1.866 20 30 FDEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CC#CCOC)C1 ZINC001112124598 810838587 /nfs/dbraw/zinc/83/85/87/810838587.db2.gz NIPQDSMPSNPIQZ-ZIAGYGMSSA-N 2 1 363.424 1.345 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000262017947 811368806 /nfs/dbraw/zinc/36/88/06/811368806.db2.gz YEZWCLLSJLOPGT-WMLDXEAASA-N 2 1 353.474 1.415 20 30 FDEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000515165604 816127238 /nfs/dbraw/zinc/12/72/38/816127238.db2.gz DLZIPDQJQRFVOA-MRXNPFEDSA-N 2 1 357.454 1.274 20 30 FDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)COc2ccc(C#N)cc2)CC1 ZINC000516625305 816932524 /nfs/dbraw/zinc/93/25/24/816932524.db2.gz AJCRDVLQVGJQRZ-UHFFFAOYSA-N 2 1 351.410 1.723 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087476919 818393597 /nfs/dbraw/zinc/39/35/97/818393597.db2.gz MAMHKIUMFOZLQM-IHPCNDPISA-N 2 1 355.482 1.554 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001087476919 818393603 /nfs/dbraw/zinc/39/36/03/818393603.db2.gz MAMHKIUMFOZLQM-IHPCNDPISA-N 2 1 355.482 1.554 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001087476919 818393612 /nfs/dbraw/zinc/39/36/12/818393612.db2.gz MAMHKIUMFOZLQM-IHPCNDPISA-N 2 1 355.482 1.554 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OC)cc2)[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001087476919 818393620 /nfs/dbraw/zinc/39/36/20/818393620.db2.gz MAMHKIUMFOZLQM-IHPCNDPISA-N 2 1 355.482 1.554 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992450 824954249 /nfs/dbraw/zinc/95/42/49/824954249.db2.gz WKJOBDBSZBRTKO-WSTZPKSXSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992450 824954251 /nfs/dbraw/zinc/95/42/51/824954251.db2.gz WKJOBDBSZBRTKO-WSTZPKSXSA-N 2 1 361.530 1.986 20 30 FDEDMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@@H]2C1 ZINC001087992450 824954255 /nfs/dbraw/zinc/95/42/55/824954255.db2.gz WKJOBDBSZBRTKO-WSTZPKSXSA-N 2 1 361.530 1.986 20 30 FDEDMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330293908 825818351 /nfs/dbraw/zinc/81/83/51/825818351.db2.gz DYONKTGQMJMFFW-MKXGPGLRSA-N 2 1 364.534 1.837 20 30 FDEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199452 827430360 /nfs/dbraw/zinc/43/03/60/827430360.db2.gz OJTBFLLHPQENNB-AABGKKOBSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199452 827430366 /nfs/dbraw/zinc/43/03/66/827430366.db2.gz OJTBFLLHPQENNB-AABGKKOBSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4cccc(C#N)c4)CC[C@@H]3C2)C1 ZINC001088199452 827430368 /nfs/dbraw/zinc/43/03/68/827430368.db2.gz OJTBFLLHPQENNB-AABGKKOBSA-N 2 1 352.482 1.790 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4coc(C)n4)CC[C@@H]3C2)CC1 ZINC001088211864 827492843 /nfs/dbraw/zinc/49/28/43/827492843.db2.gz DBOIPNYVGOJDPY-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4coc(C)n4)CC[C@@H]3C2)CC1 ZINC001088211864 827492848 /nfs/dbraw/zinc/49/28/48/827492848.db2.gz DBOIPNYVGOJDPY-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000303888772 827939564 /nfs/dbraw/zinc/93/95/64/827939564.db2.gz PDCKSFIJZTZKNB-MRXNPFEDSA-N 2 1 367.538 1.974 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccccc1OC(F)(F)F ZINC000305048039 828031945 /nfs/dbraw/zinc/03/19/45/828031945.db2.gz YZJJQBDODDTXPY-UHFFFAOYSA-N 2 1 374.407 1.754 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@@H+]1Cc1ccccc1C#N ZINC001088571460 834838792 /nfs/dbraw/zinc/83/87/92/834838792.db2.gz ATLHTBGNNUIULC-YSGRDPCXSA-N 2 1 352.482 1.979 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC[N@H+]1Cc1ccccc1C#N ZINC001088571460 834838805 /nfs/dbraw/zinc/83/88/05/834838805.db2.gz ATLHTBGNNUIULC-YSGRDPCXSA-N 2 1 352.482 1.979 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@H]2C(C)C)C[C@H]1O ZINC001105670251 844368338 /nfs/dbraw/zinc/36/83/38/844368338.db2.gz YSDFRDUHZYKFLC-JYBIWHBTSA-N 2 1 358.486 1.181 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105637328 842271303 /nfs/dbraw/zinc/27/13/03/842271303.db2.gz NFCXOZYDIDFKNA-UKAVVXHISA-N 2 1 361.530 1.460 20 30 FDEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105655783 842479129 /nfs/dbraw/zinc/47/91/29/842479129.db2.gz KXQUCGNXRMYINP-ZJSJBZJDSA-N 2 1 363.546 1.564 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cccnc4C)C[C@H]32)CC1 ZINC001076604943 848554441 /nfs/dbraw/zinc/55/44/41/848554441.db2.gz ZHTPIMBHUTZQRA-LEWJYISDSA-N 2 1 366.509 1.768 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000669336362 863013433 /nfs/dbraw/zinc/01/34/33/863013433.db2.gz DVBXOSLKDUVWNC-MSOLQXFVSA-N 2 1 372.517 1.674 20 30 FDEDMP C=C(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C2CC2)CC1 ZINC000669336362 863013452 /nfs/dbraw/zinc/01/34/52/863013452.db2.gz DVBXOSLKDUVWNC-MSOLQXFVSA-N 2 1 372.517 1.674 20 30 FDEDMP C[N@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000911922329 859111902 /nfs/dbraw/zinc/11/19/02/859111902.db2.gz XCBNRPNSNRVLHN-UYAOXDASSA-N 2 1 356.470 1.094 20 30 FDEDMP C#CCN(C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000913988813 870244980 /nfs/dbraw/zinc/24/49/80/870244980.db2.gz OLZUSYHDQXTBLF-CALCHBBNSA-N 2 1 350.507 1.225 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC001003138852 872666758 /nfs/dbraw/zinc/66/67/58/872666758.db2.gz MIPSCNBVRREURB-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)O1 ZINC001003138852 872666765 /nfs/dbraw/zinc/66/67/65/872666765.db2.gz MIPSCNBVRREURB-DNVCBOLYSA-N 2 1 356.470 1.358 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cnn(CC)c2)[C@H](C)C1 ZINC001106266380 874260656 /nfs/dbraw/zinc/26/06/56/874260656.db2.gz HEQLSZQTQXJQRN-RLLQIKCJSA-N 2 1 371.529 1.227 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cnn(CC)c2)[C@H](C)C1 ZINC001106266380 874260671 /nfs/dbraw/zinc/26/06/71/874260671.db2.gz HEQLSZQTQXJQRN-RLLQIKCJSA-N 2 1 371.529 1.227 20 30 FDEDMP C=CCN1CC[C@H]([NH+](C)CCCC[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000282112540 876961596 /nfs/dbraw/zinc/96/15/96/876961596.db2.gz XCBRHFAVDFQVEC-ROUUACIJSA-N 2 1 362.518 1.204 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001099262504 877505388 /nfs/dbraw/zinc/50/53/88/877505388.db2.gz FERQYZPIJNQNRJ-OAGGEKHMSA-N 2 1 357.420 1.863 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH2+]CCC2CC2)C1 ZINC001099262504 877505409 /nfs/dbraw/zinc/50/54/09/877505409.db2.gz FERQYZPIJNQNRJ-OAGGEKHMSA-N 2 1 357.420 1.863 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(OCC#N)cc3)C2)CC[N@H+]1C ZINC001033094532 878903111 /nfs/dbraw/zinc/90/31/11/878903111.db2.gz IPQADJNXXQXCDG-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC001033094532 878903113 /nfs/dbraw/zinc/90/31/13/878903113.db2.gz IPQADJNXXQXCDG-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C2)CC[NH+]1C ZINC001033094532 878903120 /nfs/dbraw/zinc/90/31/20/878903120.db2.gz IPQADJNXXQXCDG-YVWKXTFCSA-N 2 1 370.497 1.962 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCCCC3)C[C@H]2O)CC1 ZINC001078226964 898427389 /nfs/dbraw/zinc/42/73/89/898427389.db2.gz BOCDFLKHUOZEDD-WOJBJXKFSA-N 2 1 361.530 1.463 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039471 900075019 /nfs/dbraw/zinc/07/50/19/900075019.db2.gz SVWGLTPPDAJOIB-MISYRCLQSA-N 2 1 357.498 1.623 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083125810 901859993 /nfs/dbraw/zinc/85/99/93/901859993.db2.gz PVDNXSXXRXQMIU-KRWDZBQOSA-N 2 1 367.501 1.786 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2nc(C)cc2C)nc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083125810 901860005 /nfs/dbraw/zinc/86/00/05/901860005.db2.gz PVDNXSXXRXQMIU-KRWDZBQOSA-N 2 1 367.501 1.786 20 30 FDEDMP C#CCC[NH+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001079147059 901971638 /nfs/dbraw/zinc/97/16/38/901971638.db2.gz UVQKSEIXRJZMSV-VAMGGRTRSA-N 2 1 355.482 1.035 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079147059 901971642 /nfs/dbraw/zinc/97/16/42/901971642.db2.gz UVQKSEIXRJZMSV-VAMGGRTRSA-N 2 1 355.482 1.035 20 30 FDEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001079147059 901971648 /nfs/dbraw/zinc/97/16/48/901971648.db2.gz UVQKSEIXRJZMSV-VAMGGRTRSA-N 2 1 355.482 1.035 20 30 FDEDMP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079134837 901998617 /nfs/dbraw/zinc/99/86/17/901998617.db2.gz UQJGPGJJGKMRKH-PWRODBHTSA-N 2 1 367.493 1.035 20 30 FDEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001079134837 901998622 /nfs/dbraw/zinc/99/86/22/901998622.db2.gz UQJGPGJJGKMRKH-PWRODBHTSA-N 2 1 367.493 1.035 20 30 FDEDMP C#CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079245574 902253867 /nfs/dbraw/zinc/25/38/67/902253867.db2.gz AJYJAUZGIHELFE-CEXWTWQISA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270466 902330035 /nfs/dbraw/zinc/33/00/35/902330035.db2.gz SWHLIMBSNNQQJM-GBESFXJTSA-N 2 1 359.514 1.291 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001079289107 902387500 /nfs/dbraw/zinc/38/75/00/902387500.db2.gz PMXBGXWEMSSNDQ-QXAKKESOSA-N 2 1 361.461 1.616 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccccc1F ZINC001079289107 902387514 /nfs/dbraw/zinc/38/75/14/902387514.db2.gz PMXBGXWEMSSNDQ-QXAKKESOSA-N 2 1 361.461 1.616 20 30 FDEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+]4CCC3CC4)CCC[C@@H]12 ZINC001107409204 904769891 /nfs/dbraw/zinc/76/98/91/904769891.db2.gz LBRUMKIPEYEWLE-QKNQBKEWSA-N 2 1 359.514 1.339 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2C)CC1 ZINC001080998136 906975433 /nfs/dbraw/zinc/97/54/33/906975433.db2.gz UMQUVMLLXIIHOD-MISYRCLQSA-N 2 1 361.530 1.727 20 30 FDEDMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082741767 909941534 /nfs/dbraw/zinc/94/15/34/909941534.db2.gz BLALXXMQTGHSAY-QMTMVMCOSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000998983582 911932955 /nfs/dbraw/zinc/93/29/55/911932955.db2.gz OGDUGZLPIXCRKQ-QROZZAMVSA-N 2 1 362.499 1.418 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000998983582 911932959 /nfs/dbraw/zinc/93/29/59/911932959.db2.gz OGDUGZLPIXCRKQ-QROZZAMVSA-N 2 1 362.499 1.418 20 30 FDEDMP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082431 911947180 /nfs/dbraw/zinc/94/71/80/911947180.db2.gz XLZPBJBUKBZEAI-YSIASYRMSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082431 911947186 /nfs/dbraw/zinc/94/71/86/911947186.db2.gz XLZPBJBUKBZEAI-YSIASYRMSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC001083082431 911947188 /nfs/dbraw/zinc/94/71/88/911947188.db2.gz XLZPBJBUKBZEAI-YSIASYRMSA-N 2 1 359.514 1.576 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)CC[N@@H+]1C ZINC001083086116 911957848 /nfs/dbraw/zinc/95/78/48/911957848.db2.gz AGSSATSCSYTPTB-GEALJGNFSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)CC[N@H+]1C ZINC001083086116 911957853 /nfs/dbraw/zinc/95/78/53/911957853.db2.gz AGSSATSCSYTPTB-GEALJGNFSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]32)CC[NH+]1C ZINC001083086116 911957855 /nfs/dbraw/zinc/95/78/55/911957855.db2.gz AGSSATSCSYTPTB-GEALJGNFSA-N 2 1 368.481 1.310 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)CC[NH+]1C ZINC001083086116 911957862 /nfs/dbraw/zinc/95/78/62/911957862.db2.gz AGSSATSCSYTPTB-GEALJGNFSA-N 2 1 368.481 1.310 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092784 920807789 /nfs/dbraw/zinc/80/77/89/920807789.db2.gz PXLKRLMGFQCFAP-NJYVYQBISA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092784 920807805 /nfs/dbraw/zinc/80/78/05/920807805.db2.gz PXLKRLMGFQCFAP-NJYVYQBISA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC#Cc4ccccc4)[C@H]3C2)C1 ZINC001085092784 920807817 /nfs/dbraw/zinc/80/78/17/920807817.db2.gz PXLKRLMGFQCFAP-NJYVYQBISA-N 2 1 351.494 1.913 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085429340 924644163 /nfs/dbraw/zinc/64/41/63/924644163.db2.gz OJABVRSTTJJROI-AQNXPRMDSA-N 2 1 370.497 1.796 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085429340 924644164 /nfs/dbraw/zinc/64/41/64/924644164.db2.gz OJABVRSTTJJROI-AQNXPRMDSA-N 2 1 370.497 1.796 20 30 FDEDMP C=CCC[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400727 938415914 /nfs/dbraw/zinc/41/59/14/938415914.db2.gz YUAYNJNYBACYEA-KURKYZTESA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400727 938415915 /nfs/dbraw/zinc/41/59/15/938415915.db2.gz YUAYNJNYBACYEA-KURKYZTESA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400727 938415918 /nfs/dbraw/zinc/41/59/18/938415918.db2.gz YUAYNJNYBACYEA-KURKYZTESA-N 2 1 362.522 1.706 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896052 938557346 /nfs/dbraw/zinc/55/73/46/938557346.db2.gz OUPBSMDEBDLOQN-KSZLIROESA-N 2 1 360.506 1.174 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1n1ccnn1 ZINC001130044116 938643398 /nfs/dbraw/zinc/64/33/98/938643398.db2.gz QTXTUXJEKFLBQW-MSOLQXFVSA-N 2 1 360.506 1.155 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130708252 940013991 /nfs/dbraw/zinc/01/39/91/940013991.db2.gz FJPWKGDYUJSCAE-GOEBONIOSA-N 2 1 353.898 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130708252 940013995 /nfs/dbraw/zinc/01/39/95/940013995.db2.gz FJPWKGDYUJSCAE-GOEBONIOSA-N 2 1 353.898 1.398 20 30 FDEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)CCC)n2)O1 ZINC001130815919 940217490 /nfs/dbraw/zinc/21/74/90/940217490.db2.gz HCGBYRQEUGQIIW-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001130988700 940410711 /nfs/dbraw/zinc/41/07/11/940410711.db2.gz KCDJJQCUKFUBQB-KZNAEPCWSA-N 2 1 359.518 1.753 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1c1cncn1C ZINC001131003507 940429613 /nfs/dbraw/zinc/42/96/13/940429613.db2.gz HSAAMGGQERHEMC-KURKYZTESA-N 2 1 357.502 1.202 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1c1cncn1C ZINC001131089514 940494682 /nfs/dbraw/zinc/49/46/82/940494682.db2.gz KTJVNAOGADPEFU-HUUCEWRRSA-N 2 1 353.898 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CCC)C[C@H]1c1cncn1C ZINC001131115707 940503866 /nfs/dbraw/zinc/50/38/66/940503866.db2.gz VUWRYLYVBFAHOH-HZPDHXFCSA-N 2 1 367.925 1.789 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1c1cncn1C ZINC001131115707 940503868 /nfs/dbraw/zinc/50/38/68/940503868.db2.gz VUWRYLYVBFAHOH-HZPDHXFCSA-N 2 1 367.925 1.789 20 30 FDEDMP C=CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131321423 940551695 /nfs/dbraw/zinc/55/16/95/940551695.db2.gz RYELHIHDRDZWSD-BBWFWOEESA-N 2 1 364.490 1.009 20 30 FDEDMP C=CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131321423 940551696 /nfs/dbraw/zinc/55/16/96/940551696.db2.gz RYELHIHDRDZWSD-BBWFWOEESA-N 2 1 364.490 1.009 20 30 FDEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131321423 940551697 /nfs/dbraw/zinc/55/16/97/940551697.db2.gz RYELHIHDRDZWSD-BBWFWOEESA-N 2 1 364.490 1.009 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC001086720925 941620605 /nfs/dbraw/zinc/62/06/05/941620605.db2.gz VOROYXNMVQFIKJ-JZXOWHBKSA-N 2 1 360.527 1.924 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnc(C)s2)C1 ZINC001086720925 941620607 /nfs/dbraw/zinc/62/06/07/941620607.db2.gz VOROYXNMVQFIKJ-JZXOWHBKSA-N 2 1 360.527 1.924 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2snnc2C)C1 ZINC001086721432 941647071 /nfs/dbraw/zinc/64/70/71/941647071.db2.gz YWQODJOJYQMYOU-XHSDSOJGSA-N 2 1 361.515 1.319 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2snnc2C)C1 ZINC001086721432 941647074 /nfs/dbraw/zinc/64/70/74/941647074.db2.gz YWQODJOJYQMYOU-XHSDSOJGSA-N 2 1 361.515 1.319 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000818593077 943323813 /nfs/dbraw/zinc/32/38/13/943323813.db2.gz LBBHDWOVSABOCV-UHFFFAOYSA-N 2 1 356.514 1.660 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000818599385 943327408 /nfs/dbraw/zinc/32/74/08/943327408.db2.gz NJSNOLVXVKIIPK-QGZVFWFLSA-N 2 1 360.477 1.408 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)CC)c3)C2)C1=O ZINC000856584979 971236550 /nfs/dbraw/zinc/23/65/50/971236550.db2.gz WIWXOCJIGMJEPC-MOPGFXCFSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)C1=O ZINC000856584979 971236555 /nfs/dbraw/zinc/23/65/55/971236555.db2.gz WIWXOCJIGMJEPC-MOPGFXCFSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584979 971236561 /nfs/dbraw/zinc/23/65/61/971236561.db2.gz WIWXOCJIGMJEPC-MOPGFXCFSA-N 2 1 358.486 1.773 20 30 FDEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)C1=O ZINC000856584979 971236569 /nfs/dbraw/zinc/23/65/69/971236569.db2.gz WIWXOCJIGMJEPC-MOPGFXCFSA-N 2 1 358.486 1.773 20 30 FDEDMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592106 971240752 /nfs/dbraw/zinc/24/07/52/971240752.db2.gz FHSOCDHFUCIXMD-VQIMIIECSA-N 2 1 373.501 1.747 20 30 FDEDMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592106 971240756 /nfs/dbraw/zinc/24/07/56/971240756.db2.gz FHSOCDHFUCIXMD-VQIMIIECSA-N 2 1 373.501 1.747 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592106 971240761 /nfs/dbraw/zinc/24/07/61/971240761.db2.gz FHSOCDHFUCIXMD-VQIMIIECSA-N 2 1 373.501 1.747 20 30 FDEDMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+]([C@H](C)C(=O)N(C)CCC#N)C2)ccn1 ZINC000856592106 971240763 /nfs/dbraw/zinc/24/07/63/971240763.db2.gz FHSOCDHFUCIXMD-VQIMIIECSA-N 2 1 373.501 1.747 20 30 FDEDMP C[NH+]1CCN(c2ncnc3c2CC[N@H+](Cc2cncc(C#N)c2)CC3)CC1 ZINC001144079681 948199131 /nfs/dbraw/zinc/19/91/31/948199131.db2.gz BSZYHMITBJUVEY-UHFFFAOYSA-N 2 1 363.469 1.096 20 30 FDEDMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+](Cc2cncc(C#N)c2)CC3)CC1 ZINC001144079681 948199134 /nfs/dbraw/zinc/19/91/34/948199134.db2.gz BSZYHMITBJUVEY-UHFFFAOYSA-N 2 1 363.469 1.096 20 30 FDEDMP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O)CC(C)(C)C ZINC001196200509 971535865 /nfs/dbraw/zinc/53/58/65/971535865.db2.gz WGDSAMGHQXGBKY-QZTJIDSGSA-N 2 1 358.486 1.197 20 30 FDEDMP C[N@@H+](CC(=O)N[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H]1O)CC(C)(C)C ZINC001196200509 971535871 /nfs/dbraw/zinc/53/58/71/971535871.db2.gz WGDSAMGHQXGBKY-QZTJIDSGSA-N 2 1 358.486 1.197 20 30 FDEDMP C[NH+](CC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O)CC(C)(C)C ZINC001196200509 971535874 /nfs/dbraw/zinc/53/58/74/971535874.db2.gz WGDSAMGHQXGBKY-QZTJIDSGSA-N 2 1 358.486 1.197 20 30 FDEDMP C[NH+](CC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1O)CC(C)(C)C ZINC001196200509 971535884 /nfs/dbraw/zinc/53/58/84/971535884.db2.gz WGDSAMGHQXGBKY-QZTJIDSGSA-N 2 1 358.486 1.197 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000961991849 1013112023 /nfs/dbraw/zinc/11/20/23/1013112023.db2.gz UVFXUYVHMGDWBN-QROZZAMVSA-N 2 1 362.499 1.323 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(C#N)s3)C2)O1 ZINC000961991849 1013112031 /nfs/dbraw/zinc/11/20/31/1013112031.db2.gz UVFXUYVHMGDWBN-QROZZAMVSA-N 2 1 362.499 1.323 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001086997221 953039891 /nfs/dbraw/zinc/03/98/91/953039891.db2.gz SLRVGFUJAKEFGS-RRQGHBQHSA-N 2 1 365.909 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1c1cnn(C)c1 ZINC001086997221 953039895 /nfs/dbraw/zinc/03/98/95/953039895.db2.gz SLRVGFUJAKEFGS-RRQGHBQHSA-N 2 1 365.909 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cnn(C)c1 ZINC001087009369 953097917 /nfs/dbraw/zinc/09/79/17/953097917.db2.gz CBIFWSNFWCKUGX-JKSUJKDBSA-N 2 1 351.882 1.152 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1c1cnn(C)c1 ZINC001087010708 953102301 /nfs/dbraw/zinc/10/23/01/953102301.db2.gz NJPZMHWBIVPFDQ-IPMKNSEASA-N 2 1 359.518 1.755 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087034446 953171751 /nfs/dbraw/zinc/17/17/51/953171751.db2.gz GATRWIKVLMHHBA-VAMGGRTRSA-N 2 1 370.497 1.606 20 30 FDEDMP C=C(C)CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868803 953620398 /nfs/dbraw/zinc/62/03/98/953620398.db2.gz WFFWRADLQBDQMJ-YZNMIPRNSA-N 2 1 359.514 1.596 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868803 953620403 /nfs/dbraw/zinc/62/04/03/953620403.db2.gz WFFWRADLQBDQMJ-YZNMIPRNSA-N 2 1 359.514 1.596 20 30 FDEDMP C=C(C)CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@]2(C)C1 ZINC001091868803 953620408 /nfs/dbraw/zinc/62/04/08/953620408.db2.gz WFFWRADLQBDQMJ-YZNMIPRNSA-N 2 1 359.514 1.596 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001092505120 955279044 /nfs/dbraw/zinc/27/90/44/955279044.db2.gz IIKCDIVTDQDCBB-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001092505120 955279052 /nfs/dbraw/zinc/27/90/52/955279052.db2.gz IIKCDIVTDQDCBB-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001092505120 955279054 /nfs/dbraw/zinc/27/90/54/955279054.db2.gz IIKCDIVTDQDCBB-LSBZLQRGSA-N 2 1 358.461 1.976 20 30 FDEDMP C=CCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092615744 955824750 /nfs/dbraw/zinc/82/47/50/955824750.db2.gz OQRXGTPNPVUUAU-AFYVEPGGSA-N 2 1 363.546 1.994 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001093212215 957760618 /nfs/dbraw/zinc/76/06/18/957760618.db2.gz KRBVTWAHNKTBOH-HMXCVIKNSA-N 2 1 369.509 1.443 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001093212215 957760625 /nfs/dbraw/zinc/76/06/25/957760625.db2.gz KRBVTWAHNKTBOH-HMXCVIKNSA-N 2 1 369.509 1.443 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001093212215 957760633 /nfs/dbraw/zinc/76/06/33/957760633.db2.gz KRBVTWAHNKTBOH-HMXCVIKNSA-N 2 1 369.509 1.443 20 30 FDEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@H]2C)C1 ZINC001093212215 957760642 /nfs/dbraw/zinc/76/06/42/957760642.db2.gz KRBVTWAHNKTBOH-HMXCVIKNSA-N 2 1 369.509 1.443 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cscn3)C[C@H]2C)CC1 ZINC001093223558 957854071 /nfs/dbraw/zinc/85/40/71/957854071.db2.gz BIKPTLWCKAZHAN-NVXWUHKLSA-N 2 1 360.527 1.672 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cscn3)C[C@H]2C)CC1 ZINC001093223558 957854079 /nfs/dbraw/zinc/85/40/79/957854079.db2.gz BIKPTLWCKAZHAN-NVXWUHKLSA-N 2 1 360.527 1.672 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cn(C)nc3C)C[C@H]2C)CC1 ZINC001093224380 957857194 /nfs/dbraw/zinc/85/71/94/957857194.db2.gz UCUVGHQBHUBHJU-VQIMIIECSA-N 2 1 371.529 1.258 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCC(C)C)CC1 ZINC001110147127 958331054 /nfs/dbraw/zinc/33/10/54/958331054.db2.gz LSBMCEPIBQIHBM-AABGKKOBSA-N 2 1 361.530 1.726 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H]1CCCO1 ZINC000775791337 972483928 /nfs/dbraw/zinc/48/39/28/972483928.db2.gz LUZHOFUODQFYSP-PMACEKPBSA-N 2 1 370.497 1.537 20 30 FDEDMP C=CCC[N@H+]1CC[C@@]2(CNC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC001094417339 960410031 /nfs/dbraw/zinc/41/00/31/960410031.db2.gz VFLVEWIUHWPRGX-UYAOXDASSA-N 2 1 359.518 1.995 20 30 FDEDMP C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532467 960744776 /nfs/dbraw/zinc/74/47/76/960744776.db2.gz WKOBLGBXPQVBTB-UYAOXDASSA-N 2 1 359.518 1.995 20 30 FDEDMP C[N@@H+](CCN1CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172988771 961870107 /nfs/dbraw/zinc/87/01/07/961870107.db2.gz DHTWZBAAISHKKK-IRXDYDNUSA-N 2 1 365.522 1.457 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001177760169 963961421 /nfs/dbraw/zinc/96/14/21/963961421.db2.gz ZZLRSUQPKAPRGS-IBGZPJMESA-N 2 1 354.498 1.413 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC001177760169 963961423 /nfs/dbraw/zinc/96/14/23/963961423.db2.gz ZZLRSUQPKAPRGS-IBGZPJMESA-N 2 1 354.498 1.413 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527015 964276799 /nfs/dbraw/zinc/27/67/99/964276799.db2.gz HOWNPEZYMFQKNQ-FGTMMUONSA-N 2 1 366.550 1.674 20 30 FDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1CN1CC[NH+](C)CC1 ZINC001188366464 966238228 /nfs/dbraw/zinc/23/82/28/966238228.db2.gz WUWVNRPMNVNMPT-IBGZPJMESA-N 2 1 356.514 1.814 20 30 FDEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)CC1 ZINC001188964198 966678056 /nfs/dbraw/zinc/67/80/56/966678056.db2.gz ZGBDFQFAAYXXBF-RBUKOAKNSA-N 2 1 352.482 1.933 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189026892 966736672 /nfs/dbraw/zinc/73/66/72/966736672.db2.gz UMMWUGAAZZKRQW-OKZBNKHCSA-N 2 1 364.534 1.284 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167083 966827524 /nfs/dbraw/zinc/82/75/24/966827524.db2.gz ATQFHIFRNPKSDI-IXDOHACOSA-N 2 1 364.534 1.188 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167083 966827532 /nfs/dbraw/zinc/82/75/32/966827532.db2.gz ATQFHIFRNPKSDI-IXDOHACOSA-N 2 1 364.534 1.188 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167083 966827541 /nfs/dbraw/zinc/82/75/41/966827541.db2.gz ATQFHIFRNPKSDI-IXDOHACOSA-N 2 1 364.534 1.188 20 30 FDEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(N2CC[NH+](C)CC2)cc1F ZINC001194552371 970246085 /nfs/dbraw/zinc/24/60/85/970246085.db2.gz YXWDACNZOWMOQP-KRWDZBQOSA-N 2 1 360.477 1.958 20 30 FDEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201454938 975056046 /nfs/dbraw/zinc/05/60/46/975056046.db2.gz VQIOANMNCGYSEG-AQNXPRMDSA-N 2 1 355.482 1.172 20 30 FDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@@H+]1CCc2sccc2C1 ZINC000884193780 982969390 /nfs/dbraw/zinc/96/93/90/982969390.db2.gz OYMXQCGGXBFHQU-NOFHKNGASA-N 2 1 358.511 1.750 20 30 FDEDMP C[C@@H](CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[N@H+]1CCc2sccc2C1 ZINC000884193780 982969391 /nfs/dbraw/zinc/96/93/91/982969391.db2.gz OYMXQCGGXBFHQU-NOFHKNGASA-N 2 1 358.511 1.750 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)C2 ZINC000884193760 982969477 /nfs/dbraw/zinc/96/94/77/982969477.db2.gz OOHCALRKBMEOIS-XTBIFASLSA-N 2 1 352.482 1.907 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000884261605 983035768 /nfs/dbraw/zinc/03/57/68/983035768.db2.gz PJSCKOOYOHUVKK-VQTJNVASSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000884261605 983035777 /nfs/dbraw/zinc/03/57/77/983035777.db2.gz PJSCKOOYOHUVKK-VQTJNVASSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000884261605 983035785 /nfs/dbraw/zinc/03/57/85/983035785.db2.gz PJSCKOOYOHUVKK-VQTJNVASSA-N 2 1 370.497 1.150 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000884261605 983035795 /nfs/dbraw/zinc/03/57/95/983035795.db2.gz PJSCKOOYOHUVKK-VQTJNVASSA-N 2 1 370.497 1.150 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000332485662 983063629 /nfs/dbraw/zinc/06/36/29/983063629.db2.gz NPCSFNISJLJTFK-FUHWJXTLSA-N 2 1 362.518 1.086 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000299540986 988579265 /nfs/dbraw/zinc/57/92/65/988579265.db2.gz JAGLQEFLXPIVLW-UHFFFAOYSA-N 2 1 369.513 1.055 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000876734446 992849956 /nfs/dbraw/zinc/84/99/56/992849956.db2.gz TUTDKNGXMUQHOZ-MRXNPFEDSA-N 2 1 364.877 1.412 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000876780990 992907135 /nfs/dbraw/zinc/90/71/35/992907135.db2.gz LLVDRZZOOHVSOK-MSOLQXFVSA-N 2 1 364.921 1.951 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000876780990 992907141 /nfs/dbraw/zinc/90/71/41/992907141.db2.gz LLVDRZZOOHVSOK-MSOLQXFVSA-N 2 1 364.921 1.951 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000876780990 992907144 /nfs/dbraw/zinc/90/71/44/992907144.db2.gz LLVDRZZOOHVSOK-MSOLQXFVSA-N 2 1 364.921 1.951 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1nc(C)cc1C ZINC001095556463 993444841 /nfs/dbraw/zinc/44/48/41/993444841.db2.gz SHIBOBSLXQDLMJ-FYQPLNBISA-N 2 1 369.513 1.319 20 30 FDEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCn1nc(C)cc1C ZINC001095556463 993444852 /nfs/dbraw/zinc/44/48/52/993444852.db2.gz SHIBOBSLXQDLMJ-FYQPLNBISA-N 2 1 369.513 1.319 20 30 FDEDMP C[NH+]1CCC(NC(=O)C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 ZINC000878609611 994060076 /nfs/dbraw/zinc/06/00/76/994060076.db2.gz GKUSDOCZRKXYTE-UHFFFAOYSA-N 2 1 374.460 1.751 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000264143497 997413193 /nfs/dbraw/zinc/41/31/93/997413193.db2.gz XDKLQNWJRKKMNB-SJORKVTESA-N 2 1 363.506 1.350 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000930010297 1002734471 /nfs/dbraw/zinc/73/44/71/1002734471.db2.gz PCGSSOCNAYEMBM-SFHVURJKSA-N 2 1 364.534 1.332 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000930010297 1002734481 /nfs/dbraw/zinc/73/44/81/1002734481.db2.gz PCGSSOCNAYEMBM-SFHVURJKSA-N 2 1 364.534 1.332 20 30 FDEDMP C[NH+]1C[C@@]2(C)CN(CC#CCN3C[C@]4(C)C[N@@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000931313345 1004047762 /nfs/dbraw/zinc/04/77/62/1004047762.db2.gz BABBWXPNARCSEM-MYGLTJDJSA-N 2 1 358.574 1.537 20 30 FDEDMP C[NH+](C)CC#CCNC(=O)Nc1ccc(N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000932422722 1004950906 /nfs/dbraw/zinc/95/09/06/1004950906.db2.gz YOTWJVILSFISRO-IBGZPJMESA-N 2 1 355.486 1.658 20 30 FDEDMP CC[NH+](CC)[C@@H](CNC(NCCN1CCOCC1)=[NH+]C)c1ccccc1 ZINC000303690761 1009520898 /nfs/dbraw/zinc/52/08/98/1009520898.db2.gz AAXDFXGWSBDZCN-IBGZPJMESA-N 2 1 361.534 1.567 20 30 FDEDMP C=CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000556963803 544225549 /nfs/dbraw/zinc/22/55/49/544225549.db2.gz IXRDRCSWHKCEFS-WOJBJXKFSA-N 2 1 370.497 1.972 20 30 FDEDMP CN1CC[NH+](CC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000367671158 260075134 /nfs/dbraw/zinc/07/51/34/260075134.db2.gz OIMGEYGZGOYABQ-UHFFFAOYSA-N 2 1 352.486 1.665 20 30 FDEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821414 524919338 /nfs/dbraw/zinc/91/93/38/524919338.db2.gz WXGCOIUIRIKVJG-UHFFFAOYSA-N 2 1 359.474 1.632 20 30 FDEDMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(OCC#N)cc3)cn2)CC1 ZINC000177891997 525359694 /nfs/dbraw/zinc/35/96/94/525359694.db2.gz BYZRMEXJLBXMIW-UHFFFAOYSA-N 2 1 352.442 1.421 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCN(c2ccccc2OC)C1 ZINC000104183534 525400624 /nfs/dbraw/zinc/40/06/24/525400624.db2.gz BAGVOLAZYZJPJM-IRXDYDNUSA-N 2 1 359.518 1.910 20 30 FDEDMP COc1ccccc1CNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000170913038 525767741 /nfs/dbraw/zinc/76/77/41/525767741.db2.gz AEBDHWNXBWQSSO-IBGZPJMESA-N 2 1 368.481 1.519 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNc1cccc(C#N)c1 ZINC000156461224 526142715 /nfs/dbraw/zinc/14/27/15/526142715.db2.gz ULAHPTMTJIVREZ-LJQANCHMSA-N 2 1 357.502 1.845 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1OCC(F)(F)F ZINC000264098893 537137083 /nfs/dbraw/zinc/13/70/83/537137083.db2.gz NJXUCHHWODHGCQ-ZDUSSCGKSA-N 2 1 359.396 1.911 20 30 FDEDMP [NH2+]=C(NCCCN1CCOCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291263 537390628 /nfs/dbraw/zinc/39/06/28/537390628.db2.gz YFVVYEJDOLDPKQ-LJQANCHMSA-N 2 1 359.518 1.135 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195291263 537390638 /nfs/dbraw/zinc/39/06/38/537390638.db2.gz YFVVYEJDOLDPKQ-LJQANCHMSA-N 3 1 359.518 1.135 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195291263 537390649 /nfs/dbraw/zinc/39/06/49/537390649.db2.gz YFVVYEJDOLDPKQ-LJQANCHMSA-N 3 1 359.518 1.135 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc(-c2ccc(OC)cc2)[nH]1 ZINC000303977048 537599002 /nfs/dbraw/zinc/59/90/02/537599002.db2.gz KTLCALJSSAEPSF-AWEZNQCLSA-N 2 1 357.462 1.369 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000303977048 537599011 /nfs/dbraw/zinc/59/90/11/537599011.db2.gz KTLCALJSSAEPSF-AWEZNQCLSA-N 2 1 357.462 1.369 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000303977048 537599020 /nfs/dbraw/zinc/59/90/20/537599020.db2.gz KTLCALJSSAEPSF-AWEZNQCLSA-N 2 1 357.462 1.369 20 30 FDEDMP Cc1cnn([C@H]2CC[NH+](CC#CC[N@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289869948 537609935 /nfs/dbraw/zinc/60/99/35/537609935.db2.gz LROBCXDQZOCOJZ-PMACEKPBSA-N 2 1 352.486 1.894 20 30 FDEDMP Cc1cnn([C@H]2CC[NH+](CC#CC[N@@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289869948 537609939 /nfs/dbraw/zinc/60/99/39/537609939.db2.gz LROBCXDQZOCOJZ-PMACEKPBSA-N 2 1 352.486 1.894 20 30 FDEDMP C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375833853 537779068 /nfs/dbraw/zinc/77/90/68/537779068.db2.gz VNLRQDPIIGPAOT-VQTJNVASSA-N 2 1 372.513 1.398 20 30 FDEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000375900491 537793624 /nfs/dbraw/zinc/79/36/24/537793624.db2.gz HCJUPPCNLHEQFZ-FQEVSTJZSA-N 2 1 369.513 1.987 20 30 FDEDMP C=CCN(C(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000371833693 537832507 /nfs/dbraw/zinc/83/25/07/537832507.db2.gz CNDHSUMNDQCIFH-CTNGQTDRSA-N 2 1 370.541 1.911 20 30 FDEDMP C=CCN(C(=O)[C@@H](C)N1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371833693 537832518 /nfs/dbraw/zinc/83/25/18/537832518.db2.gz CNDHSUMNDQCIFH-CTNGQTDRSA-N 2 1 370.541 1.911 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000570812932 549421838 /nfs/dbraw/zinc/42/18/38/549421838.db2.gz FKOMGQGEMLCGDY-UHFFFAOYSA-N 3 1 362.562 1.949 20 30 FDEDMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)C[C@H](C)O1 ZINC000574277796 550287464 /nfs/dbraw/zinc/28/74/64/550287464.db2.gz OSWWCTBTEBEALM-IYBDPMFKSA-N 2 1 368.485 1.922 20 30 FDEDMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)C[C@H](C)O1 ZINC000574277796 550287466 /nfs/dbraw/zinc/28/74/66/550287466.db2.gz OSWWCTBTEBEALM-IYBDPMFKSA-N 2 1 368.485 1.922 20 30 FDEDMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)C[C@@H](C)O1 ZINC000574277795 550287660 /nfs/dbraw/zinc/28/76/60/550287660.db2.gz OSWWCTBTEBEALM-HZPDHXFCSA-N 2 1 368.485 1.922 20 30 FDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000591728854 551904157 /nfs/dbraw/zinc/90/41/57/551904157.db2.gz ZRBKDIZNAXZCOY-IRXDYDNUSA-N 2 1 350.532 1.756 20 30 FDEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000591728854 551904159 /nfs/dbraw/zinc/90/41/59/551904159.db2.gz ZRBKDIZNAXZCOY-IRXDYDNUSA-N 2 1 350.532 1.756 20 30 FDEDMP C[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593319636 552089233 /nfs/dbraw/zinc/08/92/33/552089233.db2.gz LWQBKELNORGXOA-IBGZPJMESA-N 2 1 355.486 1.916 20 30 FDEDMP C[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593320697 552089314 /nfs/dbraw/zinc/08/93/14/552089314.db2.gz DIOWSORPVLTPDS-IBGZPJMESA-N 2 1 355.486 1.916 20 30 FDEDMP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000594444675 552311479 /nfs/dbraw/zinc/31/14/79/552311479.db2.gz BIMZMMKONBQGFR-RBUKOAKNSA-N 2 1 358.486 1.805 20 30 FDEDMP C[N@@H+](CCn1cc(CN2CCOCC2)cc(C#N)c1=O)Cc1ccccc1 ZINC000596285754 552671200 /nfs/dbraw/zinc/67/12/00/552671200.db2.gz OGWXTMKTYXLLGY-UHFFFAOYSA-N 2 1 366.465 1.684 20 30 FDEDMP C=C(CNC(=O)[C@@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000620749888 555979315 /nfs/dbraw/zinc/97/93/15/555979315.db2.gz QWPPHGSZCAQOJS-ROUUACIJSA-N 2 1 360.502 1.029 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CON=C(N)C2CCCCC2)C1 ZINC000178148692 672136590 /nfs/dbraw/zinc/13/65/90/672136590.db2.gz SPQOQYXUIYXUKZ-INIZCTEOSA-N 2 1 354.495 1.329 20 30 FDEDMP CC[NH+]=C(NCC1(O)CCCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179091465 672154774 /nfs/dbraw/zinc/15/47/74/672154774.db2.gz QHYRJMKFPBEHND-QGZVFWFLSA-N 2 1 352.523 1.301 20 30 FDEDMP C[NH+]=C(NCC1(SC)CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261728769 672659819 /nfs/dbraw/zinc/65/98/19/672659819.db2.gz LJRDPNDAUWDQLA-INIZCTEOSA-N 2 1 370.563 1.128 20 30 FDEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N(C)Cc1cc(Cl)cn1C ZINC000262023077 672713683 /nfs/dbraw/zinc/71/36/83/672713683.db2.gz ZEFHDWFTYGBYGW-MRXNPFEDSA-N 2 1 354.930 1.322 20 30 FDEDMP C[NH+]=C(NC[C@@H]1COCCO1)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000262339728 672773166 /nfs/dbraw/zinc/77/31/66/672773166.db2.gz FZJUAFXAHDBNAX-UXLLHSPISA-N 2 1 366.531 1.711 20 30 FDEDMP C[NH+](C)[C@]1(CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CCSC1 ZINC000262482171 672796897 /nfs/dbraw/zinc/79/68/97/672796897.db2.gz RTISOEZZBMFFIU-SFHVURJKSA-N 2 1 365.522 1.700 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)C(C)C ZINC000264774593 672925009 /nfs/dbraw/zinc/92/50/09/672925009.db2.gz TVEXTNVJEVAYGX-ROUUACIJSA-N 2 1 351.539 1.230 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCc1ccc(C(F)(F)F)cc1 ZINC000303699370 676542583 /nfs/dbraw/zinc/54/25/83/676542583.db2.gz GYSKUNBQBIETLT-UHFFFAOYSA-N 2 1 358.408 1.875 20 30 FDEDMP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1 ZINC000303791127 676543168 /nfs/dbraw/zinc/54/31/68/676543168.db2.gz XAFMAVXATCUIIH-OAHLLOKOSA-N 2 1 350.463 1.787 20 30 FDEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000304753265 676544402 /nfs/dbraw/zinc/54/44/02/676544402.db2.gz KYCFIKZFNCJBQA-OAHLLOKOSA-N 2 1 353.511 1.728 20 30 FDEDMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C ZINC000329032481 676616781 /nfs/dbraw/zinc/61/67/81/676616781.db2.gz LRYJPYFIGHCSEZ-ATLSCFEFSA-N 2 1 352.523 1.693 20 30 FDEDMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330123677 676674197 /nfs/dbraw/zinc/67/41/97/676674197.db2.gz ATYNVWPEAQDLJT-QGTPRVQTSA-N 2 1 350.507 1.352 20 30 FDEDMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330127378 676674398 /nfs/dbraw/zinc/67/43/98/676674398.db2.gz COKYGFRPPLNPNQ-SPUZQDLCSA-N 2 1 352.523 1.597 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360472616 676868515 /nfs/dbraw/zinc/86/85/15/676868515.db2.gz LTKWTTUYLDRSCD-PKOBYXMFSA-N 2 1 350.551 1.900 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)no2)C1 ZINC001104306340 774443305 /nfs/dbraw/zinc/44/33/05/774443305.db2.gz ZBCYQCIADOQUFL-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cc(C)no2)C1 ZINC001104306340 774443311 /nfs/dbraw/zinc/44/33/11/774443311.db2.gz ZBCYQCIADOQUFL-SUMDDJOVSA-N 2 1 358.486 1.655 20 30 FDEDMP CO[C@H]1C[C@@H](C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)N(C)C1 ZINC000328921033 779343230 /nfs/dbraw/zinc/34/32/30/779343230.db2.gz BJZNTSNOJIZKGC-IKGGRYGDSA-N 2 1 361.490 1.268 20 30 FDEDMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001024445938 784675001 /nfs/dbraw/zinc/67/50/01/784675001.db2.gz YJFKBPSJOBOALJ-ZCNNSNEGSA-N 2 1 361.530 1.727 20 30 FDEDMP C#CCC[NH2+]CC[C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001104682516 789383769 /nfs/dbraw/zinc/38/37/69/789383769.db2.gz UCVPZZXNIBMIDG-IAGOWNOFSA-N 2 1 358.486 1.982 20 30 FDEDMP C=CCC[C@H](C)[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105242818 795531482 /nfs/dbraw/zinc/53/14/82/795531482.db2.gz JYRZOHXLXUGYRV-HDMKZQKVSA-N 2 1 360.506 1.446 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(F)ccc3C#N)C2)CC[N@H+]1C ZINC001026851839 799999770 /nfs/dbraw/zinc/99/97/70/799999770.db2.gz HOQQQOMMVDKKCV-SPYBWZPUSA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001026916789 800176244 /nfs/dbraw/zinc/17/62/44/800176244.db2.gz ONYODFWEAAHERA-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC001026916789 800176247 /nfs/dbraw/zinc/17/62/47/800176247.db2.gz ONYODFWEAAHERA-ATZDWAIDSA-N 2 1 356.470 1.215 20 30 FDEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC#CCOC)C1 ZINC001211703057 808906251 /nfs/dbraw/zinc/90/62/51/808906251.db2.gz RXGGPGNAORGEOZ-VQTJNVASSA-N 2 1 357.498 1.562 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720127 809246395 /nfs/dbraw/zinc/24/63/95/809246395.db2.gz ATBSRGQPDRGOHF-HSALFYBXSA-N 2 1 355.482 1.172 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261613184 811285345 /nfs/dbraw/zinc/28/53/45/811285345.db2.gz AKWWEHBZXCREMA-VAMGGRTRSA-N 2 1 356.514 1.847 20 30 FDEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261933320 811347115 /nfs/dbraw/zinc/34/71/15/811347115.db2.gz BWBPBAXNIZFAAY-YOEHRIQHSA-N 2 1 355.486 1.223 20 30 FDEDMP C#CC[N@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087471390 818079684 /nfs/dbraw/zinc/07/96/84/818079684.db2.gz AYGROTPQCXSFDB-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[N@@H+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001087471390 818079694 /nfs/dbraw/zinc/07/96/94/818079694.db2.gz AYGROTPQCXSFDB-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001087471390 818079701 /nfs/dbraw/zinc/07/97/01/818079701.db2.gz AYGROTPQCXSFDB-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CC[C@@H](c2ccc(OCC)cc2)[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001087471390 818079710 /nfs/dbraw/zinc/07/97/10/818079710.db2.gz AYGROTPQCXSFDB-GIVPXCGWSA-N 2 1 369.509 1.944 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCCCO3)[C@@H]2CC)CC1 ZINC001087840175 822559192 /nfs/dbraw/zinc/55/91/92/822559192.db2.gz KWBOIEWUAKVITG-SLFFLAALSA-N 2 1 361.530 1.870 20 30 FDEDMP C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)CN1CCOCC1 ZINC000330204365 825731700 /nfs/dbraw/zinc/73/17/00/825731700.db2.gz BNRZGFUUPURXED-SJORKVTESA-N 2 1 368.522 1.054 20 30 FDEDMP C[C@H](CNC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C[NH+]1CCOCC1 ZINC000330204365 825731707 /nfs/dbraw/zinc/73/17/07/825731707.db2.gz BNRZGFUUPURXED-SJORKVTESA-N 2 1 368.522 1.054 20 30 FDEDMP C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262445280 826945723 /nfs/dbraw/zinc/94/57/23/826945723.db2.gz VDNFTHUJIVPWML-HSALFYBXSA-N 2 1 356.514 1.847 20 30 FDEDMP N#Cc1ccccc1C[N@@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001088171908 827240925 /nfs/dbraw/zinc/24/09/25/827240925.db2.gz MLKZZHFKLAGIEE-UXHICEINSA-N 2 1 364.493 1.934 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cc(C)on4)CC[C@@H]3C2)CC1 ZINC001088212004 827493001 /nfs/dbraw/zinc/49/30/01/827493001.db2.gz KCGVJFSJJQTIRG-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cc(C)on4)CC[C@@H]3C2)CC1 ZINC001088212004 827493002 /nfs/dbraw/zinc/49/30/02/827493002.db2.gz KCGVJFSJJQTIRG-MOPGFXCFSA-N 2 1 370.497 1.609 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262754208 831258597 /nfs/dbraw/zinc/25/85/97/831258597.db2.gz AQSRCKMKHFPGFI-IAGOWNOFSA-N 3 1 363.550 1.422 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000262754208 831258604 /nfs/dbraw/zinc/25/86/04/831258604.db2.gz AQSRCKMKHFPGFI-IAGOWNOFSA-N 2 1 363.550 1.422 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112207813 831945221 /nfs/dbraw/zinc/94/52/21/831945221.db2.gz IAXQZWTZMBHAEL-KFWWJZLASA-N 2 1 363.424 1.652 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C(F)(F)F ZINC001112207813 831945223 /nfs/dbraw/zinc/94/52/23/831945223.db2.gz IAXQZWTZMBHAEL-KFWWJZLASA-N 2 1 363.424 1.652 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCN(c2ccccc2OC)C1 ZINC000264065582 838333349 /nfs/dbraw/zinc/33/33/49/838333349.db2.gz BAGVOLAZYZJPJM-SJORKVTESA-N 2 1 359.518 1.910 20 30 FDEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544942 839953179 /nfs/dbraw/zinc/95/31/79/839953179.db2.gz ZONIKHHXPIWOKZ-GUDVDZBRSA-N 2 1 361.530 1.870 20 30 FDEDMP CC#CC[NH2+]CC1([C@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544942 839953181 /nfs/dbraw/zinc/95/31/81/839953181.db2.gz ZONIKHHXPIWOKZ-GUDVDZBRSA-N 2 1 361.530 1.870 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N1CC[C@H](COC)C1 ZINC000085154192 841398278 /nfs/dbraw/zinc/39/82/78/841398278.db2.gz PCRNMXBDBXJTQH-SFHVURJKSA-N 2 1 365.566 1.480 20 30 FDEDMP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105642338 842306305 /nfs/dbraw/zinc/30/63/05/842306305.db2.gz IVFUSFYFDMNFIN-WIRSXHRWSA-N 2 1 363.546 1.706 20 30 FDEDMP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105641868 842307139 /nfs/dbraw/zinc/30/71/39/842307139.db2.gz FJMOTEDJLSBQGO-VIPLHTEESA-N 2 1 351.535 1.869 20 30 FDEDMP C=CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[N@H+](C)CC)[C@H]2C(C)C)C[C@H]1O ZINC001105666540 843201471 /nfs/dbraw/zinc/20/14/71/843201471.db2.gz GQNXJZNZJZZQMW-JYBIWHBTSA-N 2 1 351.535 1.870 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)CC1 ZINC001076604732 848554556 /nfs/dbraw/zinc/55/45/56/848554556.db2.gz UCDVWWDCQYMDJM-VQTJNVASSA-N 2 1 352.482 1.460 20 30 FDEDMP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)cc1 ZINC001077219226 850133721 /nfs/dbraw/zinc/13/37/21/850133721.db2.gz MFPXYLQOLLQICA-RTBURBONSA-N 2 1 368.481 1.096 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)cc1 ZINC001077219226 850133728 /nfs/dbraw/zinc/13/37/28/850133728.db2.gz MFPXYLQOLLQICA-RTBURBONSA-N 2 1 368.481 1.096 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000669033502 860867078 /nfs/dbraw/zinc/86/70/78/860867078.db2.gz QMTCCIIVVRJWKY-MSOLQXFVSA-N 2 1 374.533 1.967 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105946351 864190409 /nfs/dbraw/zinc/19/04/09/864190409.db2.gz RFQJRUDWIUWXTM-KZNAEPCWSA-N 2 1 364.534 1.189 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC001089037936 866206575 /nfs/dbraw/zinc/20/65/75/866206575.db2.gz XCXTUUBLEBISGO-SUMDDJOVSA-N 2 1 356.470 1.620 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001089037936 866206588 /nfs/dbraw/zinc/20/65/88/866206588.db2.gz XCXTUUBLEBISGO-SUMDDJOVSA-N 2 1 356.470 1.620 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1Cc1ccc(OCC#N)cc1 ZINC001089037936 866206607 /nfs/dbraw/zinc/20/66/07/866206607.db2.gz XCXTUUBLEBISGO-SUMDDJOVSA-N 2 1 356.470 1.620 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cccnc3OC)[C@@H]2C)CC1 ZINC001089060037 866390731 /nfs/dbraw/zinc/39/07/31/866390731.db2.gz PFXXDMBCIMUGKJ-APWZRJJASA-N 2 1 370.497 1.514 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cccnc3OC)[C@@H]2C)CC1 ZINC001089060037 866390734 /nfs/dbraw/zinc/39/07/34/866390734.db2.gz PFXXDMBCIMUGKJ-APWZRJJASA-N 2 1 370.497 1.514 20 30 FDEDMP C#CCN(C(=O)NCC[N@@H+]1CCc2sccc2C1)C1CC[NH+](C)CC1 ZINC000914328446 872378267 /nfs/dbraw/zinc/37/82/67/872378267.db2.gz CNLNZJYMLKQIIV-UHFFFAOYSA-N 2 1 360.527 1.845 20 30 FDEDMP C#CCN(C(=O)NCC[N@H+]1CCc2sccc2C1)C1CC[NH+](C)CC1 ZINC000914328446 872378282 /nfs/dbraw/zinc/37/82/82/872378282.db2.gz CNLNZJYMLKQIIV-UHFFFAOYSA-N 2 1 360.527 1.845 20 30 FDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C#Cc2ccc3c(c2)OCO3)CC1 ZINC000762060282 875111190 /nfs/dbraw/zinc/11/11/90/875111190.db2.gz IKHCXEPHCCKJCT-UHFFFAOYSA-N 2 1 364.405 1.552 20 30 FDEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106435592 875284596 /nfs/dbraw/zinc/28/45/96/875284596.db2.gz PRUGEMLNCJJWRC-IAGOWNOFSA-N 2 1 358.486 1.096 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095082 878901697 /nfs/dbraw/zinc/90/16/97/878901697.db2.gz PTIRJMYKWLOFRW-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095082 878901705 /nfs/dbraw/zinc/90/17/05/878901705.db2.gz PTIRJMYKWLOFRW-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095082 878901709 /nfs/dbraw/zinc/90/17/09/878901709.db2.gz PTIRJMYKWLOFRW-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095082 878901719 /nfs/dbraw/zinc/90/17/19/878901719.db2.gz PTIRJMYKWLOFRW-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](n2ccnn2)C1 ZINC001129093499 885723878 /nfs/dbraw/zinc/72/38/78/885723878.db2.gz ICZRTXSBSMDDDR-SJORKVTESA-N 2 1 358.490 1.214 20 30 FDEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129257709 886932864 /nfs/dbraw/zinc/93/28/64/886932864.db2.gz LKAXBGNWNUXDSK-KURKYZTESA-N 2 1 362.522 1.706 20 30 FDEDMP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC[N@H+]1C ZINC000923090751 888001592 /nfs/dbraw/zinc/00/15/92/888001592.db2.gz DWPRIAPSMBNYDI-KXBFYZLASA-N 2 1 355.486 1.914 20 30 FDEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923555282 889771445 /nfs/dbraw/zinc/77/14/45/889771445.db2.gz UHCGAOOWEQYGFJ-CVEARBPZSA-N 2 1 366.506 1.045 20 30 FDEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000923555282 889771446 /nfs/dbraw/zinc/77/14/46/889771446.db2.gz UHCGAOOWEQYGFJ-CVEARBPZSA-N 2 1 366.506 1.045 20 30 FDEDMP COCC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000265794707 893183984 /nfs/dbraw/zinc/18/39/84/893183984.db2.gz XQVYNZQTEMBTSC-IBGZPJMESA-N 2 1 373.501 1.352 20 30 FDEDMP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000184651291 898345155 /nfs/dbraw/zinc/34/51/55/898345155.db2.gz GEDQDOLKKAGZFN-RBUKOAKNSA-N 2 1 374.529 1.997 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079210844 902119216 /nfs/dbraw/zinc/11/92/16/902119216.db2.gz DLXDGUMBSAYZTH-IPMKNSEASA-N 2 1 359.445 1.064 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cccc(F)c1 ZINC001079210844 902119222 /nfs/dbraw/zinc/11/92/22/902119222.db2.gz DLXDGUMBSAYZTH-IPMKNSEASA-N 2 1 359.445 1.064 20 30 FDEDMP CC#CC[NH+]1CCC2(CN(C(=O)C[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079270465 902329789 /nfs/dbraw/zinc/32/97/89/902329789.db2.gz SWHLIMBSNNQQJM-CEXWTWQISA-N 2 1 359.514 1.291 20 30 FDEDMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(C#N)c3)C[C@H]21)C1CC1 ZINC001084406709 914628030 /nfs/dbraw/zinc/62/80/30/914628030.db2.gz WZOWGKFHTRNNDO-VAMGGRTRSA-N 2 1 352.482 1.931 20 30 FDEDMP C[NH+](C)[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C[C@H]21)C1CC1 ZINC001084406709 914628036 /nfs/dbraw/zinc/62/80/36/914628036.db2.gz WZOWGKFHTRNNDO-VAMGGRTRSA-N 2 1 352.482 1.931 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001080377532 905283657 /nfs/dbraw/zinc/28/36/57/905283657.db2.gz WXSWGAWHGNAXPR-OXQOHEQNSA-N 2 1 370.497 1.867 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]2C)CC1 ZINC001080998311 906976053 /nfs/dbraw/zinc/97/60/53/906976053.db2.gz YIZIHLRXTYZRMP-DYESRHJHSA-N 2 1 369.509 1.977 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1ccccc1 ZINC001081150959 907262004 /nfs/dbraw/zinc/26/20/04/907262004.db2.gz MSRFNORVHRTINZ-LZWWZHRGSA-N 2 1 365.477 1.067 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC(F)(F)F)C[C@H]2OC)CC1 ZINC001082384204 907389026 /nfs/dbraw/zinc/38/90/26/907389026.db2.gz ISYILVYRYIYIPG-HUUCEWRRSA-N 2 1 361.408 1.099 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(F)(F)F)C[C@H]2OC)CC1 ZINC001082384204 907389035 /nfs/dbraw/zinc/38/90/35/907389035.db2.gz ISYILVYRYIYIPG-HUUCEWRRSA-N 2 1 361.408 1.099 20 30 FDEDMP CC[C@@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]21)[NH+](C)C ZINC001084667649 915981056 /nfs/dbraw/zinc/98/10/56/915981056.db2.gz PNGQEBICLRNKSU-YZGWKJHDSA-N 2 1 370.497 1.962 20 30 FDEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(OCC#N)cc2)CC1 ZINC000731979268 918898576 /nfs/dbraw/zinc/89/85/76/918898576.db2.gz OBNVSANDKDOAHU-UHFFFAOYSA-N 2 1 365.437 1.917 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnc(C)o4)[C@H]3C2)CC1 ZINC001085100507 920914326 /nfs/dbraw/zinc/91/43/26/920914326.db2.gz IHPDGOLZHQAHGQ-XLIONFOSSA-N 2 1 370.497 1.751 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001086120962 926050475 /nfs/dbraw/zinc/05/04/75/926050475.db2.gz VOAGGGHFYYTZKZ-DQEVTTJGSA-N 2 1 356.470 1.262 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC001086120962 926050478 /nfs/dbraw/zinc/05/04/78/926050478.db2.gz VOAGGGHFYYTZKZ-DQEVTTJGSA-N 2 1 356.470 1.262 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129327218 926236425 /nfs/dbraw/zinc/23/64/25/926236425.db2.gz QHWKJUHRSXGYAS-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129327218 926236432 /nfs/dbraw/zinc/23/64/32/926236432.db2.gz QHWKJUHRSXGYAS-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129327218 926236435 /nfs/dbraw/zinc/23/64/35/926236435.db2.gz QHWKJUHRSXGYAS-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCCCCC)[C@@H](n2ccnn2)C1 ZINC001129327218 926236444 /nfs/dbraw/zinc/23/64/44/926236444.db2.gz QHWKJUHRSXGYAS-MSOLQXFVSA-N 2 1 362.522 1.708 20 30 FDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1)C2 ZINC001109639653 929972833 /nfs/dbraw/zinc/97/28/33/929972833.db2.gz XTLASIDVJVDFNV-OWSLCNJRSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1)C2 ZINC001109639653 929972837 /nfs/dbraw/zinc/97/28/37/929972837.db2.gz XTLASIDVJVDFNV-OWSLCNJRSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639653 929972839 /nfs/dbraw/zinc/97/28/39/929972839.db2.gz XTLASIDVJVDFNV-OWSLCNJRSA-N 2 1 351.491 1.020 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+](C(C)C)CCO1)C2 ZINC001109639653 929972841 /nfs/dbraw/zinc/97/28/41/929972841.db2.gz XTLASIDVJVDFNV-OWSLCNJRSA-N 2 1 351.491 1.020 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669985 930100827 /nfs/dbraw/zinc/10/08/27/930100827.db2.gz DGAWQPHJCRDHKR-SQNIBIBYSA-N 2 1 356.470 1.740 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669985 930100830 /nfs/dbraw/zinc/10/08/30/930100830.db2.gz DGAWQPHJCRDHKR-SQNIBIBYSA-N 2 1 356.470 1.740 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892076 938542664 /nfs/dbraw/zinc/54/26/64/938542664.db2.gz GCSBFLBTVPGBHT-ZACQAIPSSA-N 2 1 369.473 1.360 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892346 938543329 /nfs/dbraw/zinc/54/33/29/938543329.db2.gz SJTOBGNBIUAVFB-KURKYZTESA-N 2 1 360.506 1.459 20 30 FDEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@H+](C)CC)n2)O1 ZINC001130813141 940211732 /nfs/dbraw/zinc/21/17/32/940211732.db2.gz JIEMSGZUVPYTHH-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@@H+](C)CC)n[nH]2)O1 ZINC001130813141 940211741 /nfs/dbraw/zinc/21/17/41/940211741.db2.gz JIEMSGZUVPYTHH-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@H+](C)CC)n[nH]2)O1 ZINC001130813141 940211751 /nfs/dbraw/zinc/21/17/51/940211751.db2.gz JIEMSGZUVPYTHH-LSDHHAIUSA-N 2 1 364.494 1.149 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cncn1C ZINC001131007611 940433875 /nfs/dbraw/zinc/43/38/75/940433875.db2.gz CEQCGCNWXCIYOB-ZACQAIPSSA-N 2 1 366.469 1.102 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1c1cncn1C ZINC001131053853 940480688 /nfs/dbraw/zinc/48/06/88/940480688.db2.gz FAVLSQQSZZUDQZ-IPMKNSEASA-N 2 1 371.529 1.449 20 30 FDEDMP C[NH+](C)CCN1c2ccccc2C(=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)C1=O ZINC000807979073 940504048 /nfs/dbraw/zinc/50/40/48/940504048.db2.gz MCSFQLBFLMPJJM-GASCZTMLSA-N 2 1 354.458 1.159 20 30 FDEDMP C=CCCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001131362280 940558726 /nfs/dbraw/zinc/55/87/26/940558726.db2.gz TZCSDEUTRRXRJR-ZWKOTPCHSA-N 2 1 364.534 1.333 20 30 FDEDMP C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001131362280 940558728 /nfs/dbraw/zinc/55/87/28/940558728.db2.gz TZCSDEUTRRXRJR-ZWKOTPCHSA-N 2 1 364.534 1.333 20 30 FDEDMP C=CCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001131362280 940558729 /nfs/dbraw/zinc/55/87/29/940558729.db2.gz TZCSDEUTRRXRJR-ZWKOTPCHSA-N 2 1 364.534 1.333 20 30 FDEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC001131517099 940684269 /nfs/dbraw/zinc/68/42/69/940684269.db2.gz KICDGMMWFRSAKC-HBFSDRIKSA-N 2 1 370.497 1.770 20 30 FDEDMP C[C@H](C#N)Oc1ccc(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000809732346 940888025 /nfs/dbraw/zinc/88/80/25/940888025.db2.gz BZZOLROYBZWECP-QGZVFWFLSA-N 2 1 370.497 1.963 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2OC)C1 ZINC001086720909 941620574 /nfs/dbraw/zinc/62/05/74/941620574.db2.gz UQOXLDSKSFGPEO-UHOSZYNNSA-N 2 1 370.497 1.562 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cccnc2OC)C1 ZINC001086720909 941620576 /nfs/dbraw/zinc/62/05/76/941620576.db2.gz UQOXLDSKSFGPEO-UHOSZYNNSA-N 2 1 370.497 1.562 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001086721248 941645079 /nfs/dbraw/zinc/64/50/79/941645079.db2.gz NRNDBTIUPGINOU-SCTDSRPQSA-N 2 1 358.486 1.764 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)oc2C)C1 ZINC001086721248 941645082 /nfs/dbraw/zinc/64/50/82/941645082.db2.gz NRNDBTIUPGINOU-SCTDSRPQSA-N 2 1 358.486 1.764 20 30 FDEDMP C#CCNC(=O)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000815117460 941780696 /nfs/dbraw/zinc/78/06/96/941780696.db2.gz NNKXGVVACYZXKO-FQEVSTJZSA-N 2 1 354.498 1.018 20 30 FDEDMP N#Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000819218085 943492145 /nfs/dbraw/zinc/49/21/45/943492145.db2.gz CMVVAUGKTJLZRO-SFTDATJTSA-N 2 1 351.450 1.948 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856635724 971277198 /nfs/dbraw/zinc/27/71/98/971277198.db2.gz UPTOFHUDNRTDRI-UXHICEINSA-N 2 1 370.497 1.611 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856635724 971277202 /nfs/dbraw/zinc/27/72/02/971277202.db2.gz UPTOFHUDNRTDRI-UXHICEINSA-N 2 1 370.497 1.611 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856635724 971277206 /nfs/dbraw/zinc/27/72/06/971277206.db2.gz UPTOFHUDNRTDRI-UXHICEINSA-N 2 1 370.497 1.611 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856635724 971277208 /nfs/dbraw/zinc/27/72/08/971277208.db2.gz UPTOFHUDNRTDRI-UXHICEINSA-N 2 1 370.497 1.611 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cn(C)nc3C)C[C@@]2(C)C1 ZINC001091748260 952793645 /nfs/dbraw/zinc/79/36/45/952793645.db2.gz HWJSQJBSFKQWKR-DYXWJJEUSA-N 2 1 369.513 1.106 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cn(C)nc3C)C[C@@]2(C)C1 ZINC001091748260 952793649 /nfs/dbraw/zinc/79/36/49/952793649.db2.gz HWJSQJBSFKQWKR-DYXWJJEUSA-N 2 1 369.513 1.106 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nc3C)C[C@@]2(C)C1 ZINC001091748260 952793654 /nfs/dbraw/zinc/79/36/54/952793654.db2.gz HWJSQJBSFKQWKR-DYXWJJEUSA-N 2 1 369.513 1.106 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cn(C)nc3C)C[C@@]2(C)C1 ZINC001091748260 952793657 /nfs/dbraw/zinc/79/36/57/952793657.db2.gz HWJSQJBSFKQWKR-DYXWJJEUSA-N 2 1 369.513 1.106 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cnn(C)c1 ZINC001086996756 953038248 /nfs/dbraw/zinc/03/82/48/953038248.db2.gz TUPHVLMSJJWZCA-HYVNUMGLSA-N 2 1 365.909 1.541 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cnn(C)c1 ZINC001086996756 953038259 /nfs/dbraw/zinc/03/82/59/953038259.db2.gz TUPHVLMSJJWZCA-HYVNUMGLSA-N 2 1 365.909 1.541 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000914 953053027 /nfs/dbraw/zinc/05/30/27/953053027.db2.gz VCMRVKKKPDUJFO-OTWHNJEPSA-N 2 1 357.502 1.200 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092087795 954242699 /nfs/dbraw/zinc/24/26/99/954242699.db2.gz NRTHGGAQWHCVKB-AEFFLSMTSA-N 2 1 365.909 1.591 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@]2(C)C1 ZINC001092087795 954242702 /nfs/dbraw/zinc/24/27/02/954242702.db2.gz NRTHGGAQWHCVKB-AEFFLSMTSA-N 2 1 365.909 1.591 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273854 954657784 /nfs/dbraw/zinc/65/77/84/954657784.db2.gz UHYOYFOTLNKRHM-SBHAEUEKSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273854 954657790 /nfs/dbraw/zinc/65/77/90/954657790.db2.gz UHYOYFOTLNKRHM-SBHAEUEKSA-N 2 1 352.482 1.790 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@]3(C)C2)C1 ZINC001092273854 954657799 /nfs/dbraw/zinc/65/77/99/954657799.db2.gz UHYOYFOTLNKRHM-SBHAEUEKSA-N 2 1 352.482 1.790 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2nccnc2C)C[C@H]1C ZINC001092689616 956195802 /nfs/dbraw/zinc/19/58/02/956195802.db2.gz OHTBXNRYNVWTCT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2nccnc2C)C[C@H]1C ZINC001092689616 956195814 /nfs/dbraw/zinc/19/58/14/956195814.db2.gz OHTBXNRYNVWTCT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1C ZINC001092689616 956195822 /nfs/dbraw/zinc/19/58/22/956195822.db2.gz OHTBXNRYNVWTCT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2nccnc2C)C[C@H]1C ZINC001092689616 956195829 /nfs/dbraw/zinc/19/58/29/956195829.db2.gz OHTBXNRYNVWTCT-SUMDDJOVSA-N 2 1 355.486 1.067 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132902 957616666 /nfs/dbraw/zinc/61/66/66/957616666.db2.gz GHILCMVJZWVKQC-CRAIPNDOSA-N 2 1 370.472 1.977 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133140 957617894 /nfs/dbraw/zinc/61/78/94/957617894.db2.gz SGZSMKASCMOQNI-HUUCEWRRSA-N 2 1 358.511 1.900 20 30 FDEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C(C)C)C[C@H]1O ZINC001093465566 958203937 /nfs/dbraw/zinc/20/39/37/958203937.db2.gz KNJUOYMJXUCBLY-ZJSJBZJDSA-N 2 1 361.530 1.318 20 30 FDEDMP C=C(C)C[NH2+][C@@H]1C[C@@]2(CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C(C)C)C[C@H]1O ZINC001093480878 958304562 /nfs/dbraw/zinc/30/45/62/958304562.db2.gz PPSMOJINWSHTEM-LFGUQSLTSA-N 2 1 360.502 1.734 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001093673183 958516365 /nfs/dbraw/zinc/51/63/65/958516365.db2.gz KQZDXSVSKZVWKW-ATZDWAIDSA-N 2 1 370.497 1.845 20 30 FDEDMP CC#CC[N@H+]1CC[C@@]2(CNC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC001094532252 960744472 /nfs/dbraw/zinc/74/44/72/960744472.db2.gz IXBOEGWMIOVQAS-UYAOXDASSA-N 2 1 357.502 1.442 20 30 FDEDMP COCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C#N)C2)CC1 ZINC001172973049 961857923 /nfs/dbraw/zinc/85/79/23/961857923.db2.gz FDRCIXBMIMERKL-IRXDYDNUSA-N 2 1 366.506 1.978 20 30 FDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC12CCOCC2 ZINC001186383570 964489209 /nfs/dbraw/zinc/48/92/09/964489209.db2.gz ZHZPNCYKRSOHPP-GBESFXJTSA-N 2 1 361.530 1.585 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979781 966707689 /nfs/dbraw/zinc/70/76/89/966707689.db2.gz SSWLDLCMMDMYTB-PKOBYXMFSA-N 2 1 370.497 1.941 20 30 FDEDMP C=C(C)CN(CC)C(=O)CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237981 967683813 /nfs/dbraw/zinc/68/38/13/967683813.db2.gz GQYABXXPMZSCOJ-KZNAEPCWSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237981 967683823 /nfs/dbraw/zinc/68/38/23/967683823.db2.gz GQYABXXPMZSCOJ-KZNAEPCWSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190237981 967683828 /nfs/dbraw/zinc/68/38/28/967683828.db2.gz GQYABXXPMZSCOJ-KZNAEPCWSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190237981 967683834 /nfs/dbraw/zinc/68/38/34/967683834.db2.gz GQYABXXPMZSCOJ-KZNAEPCWSA-N 2 1 364.534 1.284 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190237981 967683840 /nfs/dbraw/zinc/68/38/40/967683840.db2.gz GQYABXXPMZSCOJ-KZNAEPCWSA-N 2 1 364.534 1.284 20 30 FDEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000867964874 977149513 /nfs/dbraw/zinc/14/95/13/977149513.db2.gz URXVFKUYTQZGNI-IBGZPJMESA-N 2 1 362.437 1.188 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000849097496 977313995 /nfs/dbraw/zinc/31/39/95/977313995.db2.gz RLOCECHDAAWNTN-IBGZPJMESA-N 2 1 365.566 1.528 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849516227 977708526 /nfs/dbraw/zinc/70/85/26/977708526.db2.gz HCAOPXRALPBAOD-UXHICEINSA-N 2 1 371.529 1.402 20 30 FDEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C(C)C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849516227 977708537 /nfs/dbraw/zinc/70/85/37/977708537.db2.gz HCAOPXRALPBAOD-UXHICEINSA-N 2 1 371.529 1.402 20 30 FDEDMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cn1 ZINC000884187784 982964126 /nfs/dbraw/zinc/96/41/26/982964126.db2.gz PDUUEZULIBCFQV-WUJZJPHMSA-N 2 1 350.426 1.331 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000884221974 982996020 /nfs/dbraw/zinc/99/60/20/982996020.db2.gz FAXQCEJUEITUNG-XTBIFASLSA-N 2 1 352.482 1.907 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C1)C2 ZINC000884369431 983119996 /nfs/dbraw/zinc/11/99/96/983119996.db2.gz CSXFUTZSKGEKLI-XAPCHVNDSA-N 2 1 364.493 1.859 20 30 FDEDMP C[N@@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](Cc2ccccc2)C1 ZINC000884386857 983132112 /nfs/dbraw/zinc/13/21/12/983132112.db2.gz BKTUEHPZINVZFE-JMDAGXMHSA-N 2 1 352.482 1.511 20 30 FDEDMP C[N@H+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)[C@@H](Cc2ccccc2)C1 ZINC000884386857 983132115 /nfs/dbraw/zinc/13/21/15/983132115.db2.gz BKTUEHPZINVZFE-JMDAGXMHSA-N 2 1 352.482 1.511 20 30 FDEDMP CCN1CCN(c2ccc(NC[C@H](O)CN(C)CCC#N)cc2F)CC1 ZINC000872239463 987535773 /nfs/dbraw/zinc/53/57/73/987535773.db2.gz IKIFTAXYZFBOJD-KRWDZBQOSA-N 2 1 363.481 1.586 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000369758517 989150229 /nfs/dbraw/zinc/15/02/29/989150229.db2.gz YMPBGQJGBOKCSB-FQEVSTJZSA-N 2 1 355.482 1.491 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000369758517 989150233 /nfs/dbraw/zinc/15/02/33/989150233.db2.gz YMPBGQJGBOKCSB-FQEVSTJZSA-N 2 1 355.482 1.491 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000876896669 992957201 /nfs/dbraw/zinc/95/72/01/992957201.db2.gz KLSNHCFZRGFDGD-IAGOWNOFSA-N 2 1 351.878 1.864 20 30 FDEDMP C[NH+]1CCC(NC(=O)CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000877898063 993544597 /nfs/dbraw/zinc/54/45/97/993544597.db2.gz FRJMLIRZYCJHKO-UHFFFAOYSA-N 2 1 369.513 1.276 20 30 FDEDMP C[C@H](CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000924995685 995222078 /nfs/dbraw/zinc/22/20/78/995222078.db2.gz XXKJTSZDWABOGO-CVEARBPZSA-N 2 1 368.522 1.818 20 30 FDEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])NCCc2ccc(OC)cc2)CC1 ZINC000264067273 997392932 /nfs/dbraw/zinc/39/29/32/997392932.db2.gz BVJCQHGYFKCOQA-UHFFFAOYSA-N 2 1 361.534 1.560 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000264090089 997401172 /nfs/dbraw/zinc/40/11/72/997401172.db2.gz KTXAIZNXCPKGMH-UHFFFAOYSA-N 2 1 373.501 1.570 20 30 FDEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000264090089 997401180 /nfs/dbraw/zinc/40/11/80/997401180.db2.gz KTXAIZNXCPKGMH-UHFFFAOYSA-N 2 1 373.501 1.570 20 30 FDEDMP Cc1ccc([C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)[NH+](C)C)cc1 ZINC000264123726 997407507 /nfs/dbraw/zinc/40/75/07/997407507.db2.gz VRTXMLYAUPQFJV-GOSISDBHSA-N 2 1 367.501 1.525 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270405530 999554331 /nfs/dbraw/zinc/55/43/31/999554331.db2.gz GNQZTYYPASNKFS-ROUUACIJSA-N 2 1 357.502 1.424 20 30 FDEDMP C#CC1(O)CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000931148071 1003924038 /nfs/dbraw/zinc/92/40/38/1003924038.db2.gz PVCSZANRSMCZOZ-MJGOQNOKSA-N 2 1 355.482 1.226 20 30 FDEDMP C#CC1(O)CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000931148071 1003924040 /nfs/dbraw/zinc/92/40/40/1003924040.db2.gz PVCSZANRSMCZOZ-MJGOQNOKSA-N 2 1 355.482 1.226 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000249388067 1008206595 /nfs/dbraw/zinc/20/65/95/1008206595.db2.gz XGQOVIIFQVBIBT-UXHICEINSA-N 3 1 373.545 1.666 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000249388067 1008206599 /nfs/dbraw/zinc/20/65/99/1008206599.db2.gz XGQOVIIFQVBIBT-UXHICEINSA-N 3 1 373.545 1.666 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000249388067 1008206603 /nfs/dbraw/zinc/20/66/03/1008206603.db2.gz XGQOVIIFQVBIBT-UXHICEINSA-N 3 1 373.545 1.666 20 30 FDEDMP C=C(Cl)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000959947556 1009183436 /nfs/dbraw/zinc/18/34/36/1009183436.db2.gz ASEBENJPULDHHN-ZBRFXRBCSA-N 2 1 367.921 1.532 20 30 FDEDMP C=C(Cl)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000959947556 1009183444 /nfs/dbraw/zinc/18/34/44/1009183444.db2.gz ASEBENJPULDHHN-ZBRFXRBCSA-N 2 1 367.921 1.532 20 30 FDEDMP C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000303903371 1009685483 /nfs/dbraw/zinc/68/54/83/1009685483.db2.gz UJRJRMSYMZKRFT-HZPDHXFCSA-N 2 1 367.538 1.974 20 30 FDEDMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530230635 539915209 /nfs/dbraw/zinc/91/52/09/539915209.db2.gz IGUQBPJDDXGBFU-IBGZPJMESA-N 2 1 361.486 1.777 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC000553395532 543625853 /nfs/dbraw/zinc/62/58/53/543625853.db2.gz KROHLZARAUWREM-AEFFLSMTSA-N 2 1 364.534 1.474 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(CCC#N)n1 ZINC000173373719 524377356 /nfs/dbraw/zinc/37/73/56/524377356.db2.gz DSDXBJNSNPNAEL-INIZCTEOSA-N 2 1 361.494 1.677 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000158346561 524450666 /nfs/dbraw/zinc/45/06/66/524450666.db2.gz DPLCWPMUEAUNFS-WBVHZDCISA-N 2 1 355.490 1.661 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000089266524 524484099 /nfs/dbraw/zinc/48/40/99/524484099.db2.gz QEDCLGYFBQHRDM-MRXNPFEDSA-N 2 1 366.506 1.306 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000089266524 524484101 /nfs/dbraw/zinc/48/41/01/524484101.db2.gz QEDCLGYFBQHRDM-MRXNPFEDSA-N 2 1 366.506 1.306 20 30 FDEDMP COc1ccc(CNC(=[NH2+])NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000104159778 525398711 /nfs/dbraw/zinc/39/87/11/525398711.db2.gz BFBGKLIGCXLFHG-GASCZTMLSA-N 2 1 364.490 1.607 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3ccc(C#N)cc3)C2)CC1 ZINC000118834424 525554732 /nfs/dbraw/zinc/55/47/32/525554732.db2.gz IVGDWWDCANGDSZ-IBGZPJMESA-N 2 1 355.486 1.599 20 30 FDEDMP COc1ccccc1CNC(=[NH2+])NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180454895 525710321 /nfs/dbraw/zinc/71/03/21/525710321.db2.gz GSNBZOZTOHQJFJ-IBGZPJMESA-N 2 1 368.481 1.866 20 30 FDEDMP CN(C)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccccc1Cl ZINC000170906770 525761557 /nfs/dbraw/zinc/76/15/57/525761557.db2.gz VKLSDOCQSCOMCL-QGZVFWFLSA-N 2 1 367.925 1.569 20 30 FDEDMP CC[N@H+]1CC[C@H](CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000133887311 526104465 /nfs/dbraw/zinc/10/44/65/526104465.db2.gz OVOQEFMFCNEVPK-CABCVRRESA-N 2 1 351.495 1.209 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(COc2ccccc2)n[nH]1 ZINC000184654496 536173234 /nfs/dbraw/zinc/17/32/34/536173234.db2.gz PKYCTJQRINJPKE-AWEZNQCLSA-N 2 1 357.462 1.272 20 30 FDEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1n[nH]c(COc2ccccc2)n1 ZINC000184654496 536173239 /nfs/dbraw/zinc/17/32/39/536173239.db2.gz PKYCTJQRINJPKE-AWEZNQCLSA-N 2 1 357.462 1.272 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1n[nH]c(COc2ccccc2)n1 ZINC000184654496 536173241 /nfs/dbraw/zinc/17/32/41/536173241.db2.gz PKYCTJQRINJPKE-AWEZNQCLSA-N 2 1 357.462 1.272 20 30 FDEDMP C[NH+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CCN(C(C)=O)CC1 ZINC000263258144 537003326 /nfs/dbraw/zinc/00/33/26/537003326.db2.gz RQRNSBSTPHODIH-MRXNPFEDSA-N 2 1 363.531 1.625 20 30 FDEDMP Cc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc(N2CCCC2)n1 ZINC000290741820 537400771 /nfs/dbraw/zinc/40/07/71/537400771.db2.gz XHLNZCPOCLQICB-UHFFFAOYSA-N 2 1 360.506 1.117 20 30 FDEDMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424150822 538245799 /nfs/dbraw/zinc/24/57/99/538245799.db2.gz ZOSLDZARAPJQPV-MAUKXSAKSA-N 2 1 360.458 1.415 20 30 FDEDMP COc1cc(C[N@H+]2CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C2)cc(OC)c1 ZINC000424150822 538245803 /nfs/dbraw/zinc/24/58/03/538245803.db2.gz ZOSLDZARAPJQPV-MAUKXSAKSA-N 2 1 360.458 1.415 20 30 FDEDMP CN1CC[NH+](CC2CC[NH+](Cc3cnc4c(C#N)cnn4c3)CC2)CC1 ZINC000563150870 546426537 /nfs/dbraw/zinc/42/65/37/546426537.db2.gz RXFUKZIOOWFQCT-UHFFFAOYSA-N 2 1 353.474 1.060 20 30 FDEDMP N#Cc1ccc(O[C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)nc1 ZINC000567327227 548078139 /nfs/dbraw/zinc/07/81/39/548078139.db2.gz GKKDQALIZKUCOG-SFHVURJKSA-N 2 1 369.469 1.149 20 30 FDEDMP N#Cc1ccc(O[C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)nc1 ZINC000567327227 548078144 /nfs/dbraw/zinc/07/81/44/548078144.db2.gz GKKDQALIZKUCOG-SFHVURJKSA-N 2 1 369.469 1.149 20 30 FDEDMP N#Cc1cccc(NC(=O)CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000579237036 550850914 /nfs/dbraw/zinc/85/09/14/550850914.db2.gz RMAHOZVUYDQHPZ-UHFFFAOYSA-N 2 1 356.470 1.713 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000579389058 550868557 /nfs/dbraw/zinc/86/85/57/550868557.db2.gz XMKXCZFETACVFM-AEFFLSMTSA-N 2 1 364.534 1.332 20 30 FDEDMP C[NH+]1CCN([C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)c2cccs2)CC1 ZINC000594439395 552310175 /nfs/dbraw/zinc/31/01/75/552310175.db2.gz QHGZWYGKEAORHH-HZPDHXFCSA-N 2 1 363.531 1.564 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC2)cc1 ZINC000594536779 552330560 /nfs/dbraw/zinc/33/05/60/552330560.db2.gz IVMRJMVRJFCNQN-HNNXBMFYSA-N 2 1 369.391 1.665 20 30 FDEDMP COc1ccc(CN2CCN(C(=O)C[N@H+]3CCC[C@@H](CC#N)C3)CC2)cc1 ZINC000595621466 552593842 /nfs/dbraw/zinc/59/38/42/552593842.db2.gz VEOYLBDEWQXOIB-SFHVURJKSA-N 2 1 370.497 1.965 20 30 FDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000597943276 552848800 /nfs/dbraw/zinc/84/88/00/552848800.db2.gz WTZLGCNJGXRRCT-LPHOPBHVSA-N 2 1 355.486 1.629 20 30 FDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 ZINC000597943276 552848801 /nfs/dbraw/zinc/84/88/01/552848801.db2.gz WTZLGCNJGXRRCT-LPHOPBHVSA-N 2 1 355.486 1.629 20 30 FDEDMP C[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC2)CC1 ZINC000598597100 552913240 /nfs/dbraw/zinc/91/32/40/552913240.db2.gz VMGWUUZHQHRNGN-KRWDZBQOSA-N 2 1 350.507 1.163 20 30 FDEDMP N#CC1(C[C@H](O)C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCOCC1 ZINC000600736832 553309085 /nfs/dbraw/zinc/30/90/85/553309085.db2.gz SWMUYUXVFJXBQA-PMACEKPBSA-N 2 1 373.497 1.414 20 30 FDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)C1 ZINC000610988664 554591424 /nfs/dbraw/zinc/59/14/24/554591424.db2.gz JSYIIZKITCDZOP-UXHICEINSA-N 2 1 372.513 1.204 20 30 FDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)C1 ZINC000610988664 554591425 /nfs/dbraw/zinc/59/14/25/554591425.db2.gz JSYIIZKITCDZOP-UXHICEINSA-N 2 1 372.513 1.204 20 30 FDEDMP C=C(CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620748099 555978584 /nfs/dbraw/zinc/97/85/84/555978584.db2.gz LPXOHNCYYZCJRC-TVFCKZIOSA-N 2 1 364.534 1.521 20 30 FDEDMP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261679800 672649491 /nfs/dbraw/zinc/64/94/91/672649491.db2.gz HMEDRGYFUANKAM-OAHLLOKOSA-N 2 1 351.520 1.489 20 30 FDEDMP C[NH+]=C(NC[C@@H]1CCC[N@H+](C(C)C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261968292 672704321 /nfs/dbraw/zinc/70/43/21/672704321.db2.gz MAJKXKWNAQYNAS-HNNXBMFYSA-N 2 1 358.552 1.191 20 30 FDEDMP C[C@H]1CN(C(=[NH2+])NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000262506428 672800524 /nfs/dbraw/zinc/80/05/24/672800524.db2.gz ZZODJCJZFFNJLO-INIZCTEOSA-N 2 1 352.523 1.836 20 30 FDEDMP C[C@H]1CN(C(=[NH2+])NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CCO1 ZINC000262506428 672800528 /nfs/dbraw/zinc/80/05/28/672800528.db2.gz ZZODJCJZFFNJLO-INIZCTEOSA-N 2 1 352.523 1.836 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Br)s1 ZINC000303868864 676543254 /nfs/dbraw/zinc/54/32/54/676543254.db2.gz ANGXNQVHFWYJIS-UHFFFAOYSA-N 2 1 361.309 1.637 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000370568380 677592734 /nfs/dbraw/zinc/59/27/34/677592734.db2.gz IFYAROPYSFCLPC-ROUUACIJSA-N 2 1 350.507 1.579 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCCC)C1 ZINC001104305929 774432767 /nfs/dbraw/zinc/43/27/67/774432767.db2.gz ADSWDOISWOUCAA-AQNXPRMDSA-N 2 1 363.546 1.975 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCCC)C1 ZINC001104305929 774432771 /nfs/dbraw/zinc/43/27/71/774432771.db2.gz ADSWDOISWOUCAA-AQNXPRMDSA-N 2 1 363.546 1.975 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cnn(C)c2)C1 ZINC001104306170 774436168 /nfs/dbraw/zinc/43/61/68/774436168.db2.gz OSLYPWDSGAVPCG-RLLQIKCJSA-N 2 1 371.529 1.134 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCc2cnn(C)c2)C1 ZINC001104306170 774436172 /nfs/dbraw/zinc/43/61/72/774436172.db2.gz OSLYPWDSGAVPCG-RLLQIKCJSA-N 2 1 371.529 1.134 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001104306320 774443163 /nfs/dbraw/zinc/44/31/63/774443163.db2.gz XRHRTWYTPQOBKS-NUJGCVRESA-N 2 1 360.527 1.815 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ccns2)C1 ZINC001104306320 774443167 /nfs/dbraw/zinc/44/31/67/774443167.db2.gz XRHRTWYTPQOBKS-NUJGCVRESA-N 2 1 360.527 1.815 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000892851370 791454343 /nfs/dbraw/zinc/45/43/43/791454343.db2.gz ILSBRQITXXDYPV-ROUUACIJSA-N 2 1 350.507 1.268 20 30 FDEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932957 794452967 /nfs/dbraw/zinc/45/29/67/794452967.db2.gz XLVPECISMUFJGT-IAGOWNOFSA-N 2 1 352.523 1.095 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+]([C@H](C)C(=O)NCC=C)CC2 ZINC000364080266 795135962 /nfs/dbraw/zinc/13/59/62/795135962.db2.gz FKLRZAFQHGBFKS-IAGOWNOFSA-N 2 1 362.518 1.156 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494529 795961293 /nfs/dbraw/zinc/96/12/93/795961293.db2.gz VDKGSZUJABAVEJ-KURKYZTESA-N 2 1 362.518 1.276 20 30 FDEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001111494529 795961296 /nfs/dbraw/zinc/96/12/96/795961296.db2.gz VDKGSZUJABAVEJ-KURKYZTESA-N 2 1 362.518 1.276 20 30 FDEDMP C[NH+]=C(NCC1([NH+]2CCCCC2)CCN(C)CC1)N(C)C[C@H]1CCOC1 ZINC000261667968 809374627 /nfs/dbraw/zinc/37/46/27/809374627.db2.gz OVKMEEIOOFMSSR-GOSISDBHSA-N 2 1 365.566 1.480 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112122649 810162284 /nfs/dbraw/zinc/16/22/84/810162284.db2.gz ZFNKIFQCBVVDSK-RBSFLKMASA-N 2 1 361.408 1.099 20 30 FDEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112122649 810162285 /nfs/dbraw/zinc/16/22/85/810162285.db2.gz ZFNKIFQCBVVDSK-RBSFLKMASA-N 2 1 361.408 1.099 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664016957 810165794 /nfs/dbraw/zinc/16/57/94/810165794.db2.gz TWDXVFQLEFOHRU-SFHVURJKSA-N 2 1 350.507 1.268 20 30 FDEDMP C=CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235542 827607756 /nfs/dbraw/zinc/60/77/56/827607756.db2.gz VJBZJCMMYGBMBP-BHIYHBOVSA-N 2 1 365.518 1.221 20 30 FDEDMP C=CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235542 827607760 /nfs/dbraw/zinc/60/77/60/827607760.db2.gz VJBZJCMMYGBMBP-BHIYHBOVSA-N 2 1 365.518 1.221 20 30 FDEDMP C=CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235542 827607762 /nfs/dbraw/zinc/60/77/62/827607762.db2.gz VJBZJCMMYGBMBP-BHIYHBOVSA-N 2 1 365.518 1.221 20 30 FDEDMP C=CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235542 827607765 /nfs/dbraw/zinc/60/77/65/827607765.db2.gz VJBZJCMMYGBMBP-BHIYHBOVSA-N 2 1 365.518 1.221 20 30 FDEDMP C=CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235543 827607852 /nfs/dbraw/zinc/60/78/52/827607852.db2.gz VJBZJCMMYGBMBP-NZSAHSFTSA-N 2 1 365.518 1.221 20 30 FDEDMP C=CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235543 827607854 /nfs/dbraw/zinc/60/78/54/827607854.db2.gz VJBZJCMMYGBMBP-NZSAHSFTSA-N 2 1 365.518 1.221 20 30 FDEDMP C=CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235543 827607860 /nfs/dbraw/zinc/60/78/60/827607860.db2.gz VJBZJCMMYGBMBP-NZSAHSFTSA-N 2 1 365.518 1.221 20 30 FDEDMP C=CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235543 827607864 /nfs/dbraw/zinc/60/78/64/827607864.db2.gz VJBZJCMMYGBMBP-NZSAHSFTSA-N 2 1 365.518 1.221 20 30 FDEDMP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)CCO2 ZINC001105470673 837602469 /nfs/dbraw/zinc/60/24/69/837602469.db2.gz BQCDQKXQLVOVOC-KYBDOYODSA-N 2 1 361.530 1.870 20 30 FDEDMP Cn1cc(-c2cccc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)c2)cn1 ZINC000305652419 834573024 /nfs/dbraw/zinc/57/30/24/834573024.db2.gz DQJYSQAUNCFUCH-UHFFFAOYSA-N 2 1 356.474 1.214 20 30 FDEDMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N[C@@](C)(C#N)C3CC3)CC2)C[C@@H](C)O1 ZINC000332722262 834765445 /nfs/dbraw/zinc/76/54/45/834765445.db2.gz HBZBFGSVEJROEK-QINHECLXSA-N 2 1 362.518 1.616 20 30 FDEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544645 839952019 /nfs/dbraw/zinc/95/20/19/839952019.db2.gz OZTIGHNLQSGYTB-QRVBRYPASA-N 2 1 361.530 1.870 20 30 FDEDMP C#CCC[NH2+]CC1([C@@H]2CCCCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCC1 ZINC001105544645 839952024 /nfs/dbraw/zinc/95/20/24/839952024.db2.gz OZTIGHNLQSGYTB-QRVBRYPASA-N 2 1 361.530 1.870 20 30 FDEDMP C#CCC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)C3CCC3)[C@H]2C(C)C)C[C@H]1O ZINC001105637622 842272598 /nfs/dbraw/zinc/27/25/98/842272598.db2.gz STTLYDMMCJTHRY-QCFAMHMHSA-N 2 1 361.530 1.460 20 30 FDEDMP O=C(N1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467093 848192700 /nfs/dbraw/zinc/19/27/00/848192700.db2.gz CIBHORYNRIUFPI-AZUAARDMSA-N 2 1 367.468 1.806 20 30 FDEDMP O=C(N1CC[C@H]2C[N@H+](CC#Cc3ccc(F)cc3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001076467093 848192708 /nfs/dbraw/zinc/19/27/08/848192708.db2.gz CIBHORYNRIUFPI-AZUAARDMSA-N 2 1 367.468 1.806 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001076568100 848461219 /nfs/dbraw/zinc/46/12/19/848461219.db2.gz VBCYAIFUVQPXCV-FRQCXROJSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001076568100 848461226 /nfs/dbraw/zinc/46/12/26/848461226.db2.gz VBCYAIFUVQPXCV-FRQCXROJSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001076568100 848461233 /nfs/dbraw/zinc/46/12/33/848461233.db2.gz VBCYAIFUVQPXCV-FRQCXROJSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)C[C@H]32)C1 ZINC001076568100 848461239 /nfs/dbraw/zinc/46/12/39/848461239.db2.gz VBCYAIFUVQPXCV-FRQCXROJSA-N 2 1 356.445 1.682 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(C)ncn4)C[C@H]32)CC1 ZINC001076605470 848555788 /nfs/dbraw/zinc/55/57/88/848555788.db2.gz BPRBKRJCYLSUDX-AZUAARDMSA-N 2 1 367.497 1.163 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cc(C)ncn4)C[C@H]32)CC1 ZINC001076605470 848555790 /nfs/dbraw/zinc/55/57/90/848555790.db2.gz BPRBKRJCYLSUDX-AZUAARDMSA-N 2 1 367.497 1.163 20 30 FDEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@H]2O)C1 ZINC001077127607 849834197 /nfs/dbraw/zinc/83/41/97/849834197.db2.gz BNNRNXHXMFJTQQ-NJDAHSKKSA-N 2 1 369.509 1.177 20 30 FDEDMP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000913523789 862289597 /nfs/dbraw/zinc/28/95/97/862289597.db2.gz MOSWSIAQWLUPKH-IAGOWNOFSA-N 2 1 367.415 1.978 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccc(C#N)cc1F ZINC001088983650 865912508 /nfs/dbraw/zinc/91/25/08/865912508.db2.gz IBHLQEYYVNQANH-KDOFPFPSSA-N 2 1 356.445 1.872 20 30 FDEDMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@H+]1Cc1ccc(C#N)cc1F ZINC001088983650 865912514 /nfs/dbraw/zinc/91/25/14/865912514.db2.gz IBHLQEYYVNQANH-KDOFPFPSSA-N 2 1 356.445 1.872 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C)cc1C#N ZINC001089037723 866205355 /nfs/dbraw/zinc/20/53/55/866205355.db2.gz OTVICXJOYIGRPN-KYJSFNMBSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)[C@H]2C)cc1C#N ZINC001089037723 866205366 /nfs/dbraw/zinc/20/53/66/866205366.db2.gz OTVICXJOYIGRPN-KYJSFNMBSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)[C@H]2C)cc1C#N ZINC001089037723 866205385 /nfs/dbraw/zinc/20/53/85/866205385.db2.gz OTVICXJOYIGRPN-KYJSFNMBSA-N 2 1 356.470 1.598 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)cc1C#N ZINC001089037723 866205398 /nfs/dbraw/zinc/20/53/98/866205398.db2.gz OTVICXJOYIGRPN-KYJSFNMBSA-N 2 1 356.470 1.598 20 30 FDEDMP C[NH+]=C(NCc1ccn(C)c1)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000153300503 874474421 /nfs/dbraw/zinc/47/44/21/874474421.db2.gz HLFKKPRXZIUCFZ-UHFFFAOYSA-N 2 1 360.550 1.640 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)C[N@@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000922297921 877404229 /nfs/dbraw/zinc/40/42/29/877404229.db2.gz CWTGKCVOHCQFRN-NQIIRXRSSA-N 2 1 357.498 1.996 20 30 FDEDMP C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(C1)C[N@H+](Cc1ccccc1)C[C@@H](C)O2 ZINC000922297921 877404234 /nfs/dbraw/zinc/40/42/34/877404234.db2.gz CWTGKCVOHCQFRN-NQIIRXRSSA-N 2 1 357.498 1.996 20 30 FDEDMP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001033092529 878874709 /nfs/dbraw/zinc/87/47/09/878874709.db2.gz AOFQRNLOHYYZPO-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cc1C#N ZINC001033092529 878874714 /nfs/dbraw/zinc/87/47/14/878874714.db2.gz AOFQRNLOHYYZPO-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1C#N ZINC001033092529 878874724 /nfs/dbraw/zinc/87/47/24/878874724.db2.gz AOFQRNLOHYYZPO-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP COc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cc1C#N ZINC001033092529 878874734 /nfs/dbraw/zinc/87/47/34/878874734.db2.gz AOFQRNLOHYYZPO-AYOQOUSVSA-N 2 1 370.497 1.940 20 30 FDEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830430 883756091 /nfs/dbraw/zinc/75/60/91/883756091.db2.gz SIPACPVYRBRPOU-SQNIBIBYSA-N 2 1 362.522 1.684 20 30 FDEDMP CCCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128830430 883756096 /nfs/dbraw/zinc/75/60/96/883756096.db2.gz SIPACPVYRBRPOU-SQNIBIBYSA-N 2 1 362.522 1.684 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830430 883756099 /nfs/dbraw/zinc/75/60/99/883756099.db2.gz SIPACPVYRBRPOU-SQNIBIBYSA-N 2 1 362.522 1.684 20 30 FDEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128830430 883756104 /nfs/dbraw/zinc/75/61/04/883756104.db2.gz SIPACPVYRBRPOU-SQNIBIBYSA-N 2 1 362.522 1.684 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000999499177 912843697 /nfs/dbraw/zinc/84/36/97/912843697.db2.gz ZSVXLUGVWUYADE-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(C#N)c3)C2)O1 ZINC000999499177 912843709 /nfs/dbraw/zinc/84/37/09/912843709.db2.gz ZSVXLUGVWUYADE-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000999492554 912891345 /nfs/dbraw/zinc/89/13/45/912891345.db2.gz BHZBIKAVOIZWOX-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(C#N)cc3)C2)O1 ZINC000999492554 912891363 /nfs/dbraw/zinc/89/13/63/912891363.db2.gz BHZBIKAVOIZWOX-ATZDWAIDSA-N 2 1 356.470 1.358 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129048412 885530759 /nfs/dbraw/zinc/53/07/59/885530759.db2.gz BOYUUYDVTVMNIS-BBWFWOEESA-N 2 1 360.506 1.459 20 30 FDEDMP C=C(C)C[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128106955 896958383 /nfs/dbraw/zinc/95/83/83/896958383.db2.gz JUSUWEMAMWEOJX-NZSAHSFTSA-N 2 1 371.529 1.782 20 30 FDEDMP N#Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1 ZINC001084349617 914139329 /nfs/dbraw/zinc/13/93/29/914139329.db2.gz SUMMUOQOEFSQST-AYOQOUSVSA-N 2 1 370.522 1.994 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+]5CCC4CC5)[C@@H]3C2)s1 ZINC001084349617 914139335 /nfs/dbraw/zinc/13/93/35/914139335.db2.gz SUMMUOQOEFSQST-AYOQOUSVSA-N 2 1 370.522 1.994 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)c3ccccc3C)C[C@H]2O)CC1 ZINC001078228083 898430668 /nfs/dbraw/zinc/43/06/68/898430668.db2.gz CBEYYHIPTZCLAF-DUXKGJEZSA-N 2 1 369.509 1.563 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083167435 901916597 /nfs/dbraw/zinc/91/65/97/901916597.db2.gz OLUQKAIIDCECIT-INIZCTEOSA-N 2 1 353.474 1.477 20 30 FDEDMP C[NH+]=C(NCc1cccnc1-n1ccnc1C)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083167435 901916599 /nfs/dbraw/zinc/91/65/99/901916599.db2.gz OLUQKAIIDCECIT-INIZCTEOSA-N 2 1 353.474 1.477 20 30 FDEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CC2)C1=O ZINC000996602120 904323526 /nfs/dbraw/zinc/32/35/26/904323526.db2.gz DOYQAZGBSBTMQB-RCCFBDPRSA-N 2 1 362.518 1.084 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC#CCOC)CC3)CC[N@H+]1C ZINC001107413645 904818194 /nfs/dbraw/zinc/81/81/94/904818194.db2.gz JQMIKQVNUKCDFD-QEUVDIPISA-N 2 1 361.530 1.727 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)CC[NH+]1C ZINC001107413645 904818198 /nfs/dbraw/zinc/81/81/98/904818198.db2.gz JQMIKQVNUKCDFD-QEUVDIPISA-N 2 1 361.530 1.727 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC#CCOC)CC3)CC[NH+]1C ZINC001107413645 904818206 /nfs/dbraw/zinc/81/82/06/904818206.db2.gz JQMIKQVNUKCDFD-QEUVDIPISA-N 2 1 361.530 1.727 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC#CCOC)CC3)CC1 ZINC001107643568 906218685 /nfs/dbraw/zinc/21/86/85/906218685.db2.gz NNISLYUYSAZHNY-IFMALSPDSA-N 2 1 371.525 1.342 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CCCOC)CC3)CC1 ZINC001107643619 906220472 /nfs/dbraw/zinc/22/04/72/906220472.db2.gz OQYVPVDDHCWGLK-TZIWHRDSSA-N 2 1 361.530 1.729 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202436 906242832 /nfs/dbraw/zinc/24/28/32/906242832.db2.gz YGZMQTSSGCILFT-WOJBJXKFSA-N 2 1 370.497 1.606 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001082202436 906242854 /nfs/dbraw/zinc/24/28/54/906242854.db2.gz YGZMQTSSGCILFT-WOJBJXKFSA-N 2 1 370.497 1.606 20 30 FDEDMP COc1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cc1C#N ZINC001080781267 906252492 /nfs/dbraw/zinc/25/24/92/906252492.db2.gz TVGCSZOYFXOEQB-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)C2)cc1C#N ZINC001080781267 906252506 /nfs/dbraw/zinc/25/25/06/906252506.db2.gz TVGCSZOYFXOEQB-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP COc1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)cc1C#N ZINC001080781267 906252521 /nfs/dbraw/zinc/25/25/21/906252521.db2.gz TVGCSZOYFXOEQB-SZVBFZGTSA-N 2 1 370.497 1.845 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)c3cnc(C)cn3)C[C@H]2C)CC1 ZINC001080998157 906975953 /nfs/dbraw/zinc/97/59/53/906975953.db2.gz VHBKWZQXCCKTEE-OXFYSEKESA-N 2 1 369.513 1.628 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)c3cnc(C)cn3)C[C@H]2C)CC1 ZINC001080998157 906975958 /nfs/dbraw/zinc/97/59/58/906975958.db2.gz VHBKWZQXCCKTEE-OXFYSEKESA-N 2 1 369.513 1.628 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3C)C[C@H]2OC)CC1 ZINC001082383160 907372363 /nfs/dbraw/zinc/37/23/63/907372363.db2.gz KVLABVOKOXSHNR-NHCUHLMSSA-N 2 1 369.509 1.656 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cccc(C#N)c3)CC2)O1 ZINC000997854452 909828012 /nfs/dbraw/zinc/82/80/12/909828012.db2.gz FENPGIQVWWNMKK-OXQOHEQNSA-N 2 1 370.497 1.606 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC(C[NH2+]Cc3cccc(C#N)c3)CC2)O1 ZINC000997854452 909828026 /nfs/dbraw/zinc/82/80/26/909828026.db2.gz FENPGIQVWWNMKK-OXQOHEQNSA-N 2 1 370.497 1.606 20 30 FDEDMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC001082862050 910526716 /nfs/dbraw/zinc/52/67/16/910526716.db2.gz WWDLQAHZMOHZEU-SIXWZSSISA-N 2 1 358.461 1.976 20 30 FDEDMP Cc1c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cnn1CCC#N ZINC000888379264 912102249 /nfs/dbraw/zinc/10/22/49/912102249.db2.gz PFUWZCFIRIMJGU-UHFFFAOYSA-N 2 1 353.430 1.504 20 30 FDEDMP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001084830243 917507482 /nfs/dbraw/zinc/50/74/82/917507482.db2.gz PLLSWUIRPPHWLA-GPMSIDNRSA-N 2 1 356.445 1.682 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001084830243 917507489 /nfs/dbraw/zinc/50/74/89/917507489.db2.gz PLLSWUIRPPHWLA-GPMSIDNRSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001084830243 917507494 /nfs/dbraw/zinc/50/74/94/917507494.db2.gz PLLSWUIRPPHWLA-GPMSIDNRSA-N 2 1 356.445 1.682 20 30 FDEDMP C[NH+]1CC[C@@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc(F)c(C#N)c4)C[C@H]32)C1 ZINC001084830243 917507500 /nfs/dbraw/zinc/50/75/00/917507500.db2.gz PLLSWUIRPPHWLA-GPMSIDNRSA-N 2 1 356.445 1.682 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cncc(C)c4)C[C@H]32)CC1 ZINC001084850877 917657240 /nfs/dbraw/zinc/65/72/40/917657240.db2.gz APJCPNIRLDHZFZ-NHCUHLMSSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cncc(C)c4)C[C@H]32)CC1 ZINC001084850877 917657248 /nfs/dbraw/zinc/65/72/48/917657248.db2.gz APJCPNIRLDHZFZ-NHCUHLMSSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084942146 918637694 /nfs/dbraw/zinc/63/76/94/918637694.db2.gz DMCBDFMLDOJKLS-PBASOCQRSA-N 2 1 373.541 1.679 20 30 FDEDMP C=C(C)CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001084958164 918849179 /nfs/dbraw/zinc/84/91/79/918849179.db2.gz OJGWJNBGEKHCKQ-CEXWTWQISA-N 2 1 359.518 1.702 20 30 FDEDMP C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@@H]21 ZINC001084958164 918849189 /nfs/dbraw/zinc/84/91/89/918849189.db2.gz OJGWJNBGEKHCKQ-CEXWTWQISA-N 2 1 359.518 1.702 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)O1 ZINC001085242649 923121013 /nfs/dbraw/zinc/12/10/13/923121013.db2.gz ATQXVDXPTPYHAS-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccccc2C#N)O1 ZINC001085242649 923121018 /nfs/dbraw/zinc/12/10/18/923121018.db2.gz ATQXVDXPTPYHAS-HUYLIWGRSA-N 2 1 370.497 1.794 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085429341 924644396 /nfs/dbraw/zinc/64/43/96/924644396.db2.gz OJABVRSTTJJROI-VAMGGRTRSA-N 2 1 370.497 1.796 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(C#N)c2)C1 ZINC001085429341 924644401 /nfs/dbraw/zinc/64/44/01/924644401.db2.gz OJABVRSTTJJROI-VAMGGRTRSA-N 2 1 370.497 1.796 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981401 930948245 /nfs/dbraw/zinc/94/82/45/930948245.db2.gz RPTMGENYQQEOIR-SQNIBIBYSA-N 2 1 374.529 1.228 20 30 FDEDMP C=C(C)CN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109981401 930948250 /nfs/dbraw/zinc/94/82/50/930948250.db2.gz RPTMGENYQQEOIR-SQNIBIBYSA-N 2 1 374.529 1.228 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2c2ccccc2)CC1 ZINC001086625040 938509057 /nfs/dbraw/zinc/50/90/57/938509057.db2.gz HUELZLARBLXGNA-JRGCBEDISA-N 2 1 369.509 1.297 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1cn(C)cn1 ZINC001130622043 939920450 /nfs/dbraw/zinc/92/04/50/939920450.db2.gz MOOWETWBSPOOQI-SXLOBPIMSA-N 2 1 371.529 1.448 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1c1cn(C)cn1 ZINC001130654250 939947845 /nfs/dbraw/zinc/94/78/45/939947845.db2.gz BPLAGAVWMJWZQC-GOEBONIOSA-N 2 1 365.909 1.398 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130672355 939971492 /nfs/dbraw/zinc/97/14/92/939971492.db2.gz OIBRTAMPNRECRO-ZIFCJYIRSA-N 2 1 359.518 1.612 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1c1cn(C)cn1 ZINC001130736570 940037282 /nfs/dbraw/zinc/03/72/82/940037282.db2.gz IQOLPNFLHAMUMF-AZUAARDMSA-N 2 1 365.481 1.069 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1c1cn(C)cn1 ZINC001130736570 940037286 /nfs/dbraw/zinc/03/72/86/940037286.db2.gz IQOLPNFLHAMUMF-AZUAARDMSA-N 2 1 365.481 1.069 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001131070305 940484478 /nfs/dbraw/zinc/48/44/78/940484478.db2.gz ONGJEJZFRYHMFC-KZNAEPCWSA-N 2 1 359.518 1.755 20 30 FDEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131089792 940495076 /nfs/dbraw/zinc/49/50/76/940495076.db2.gz ZZSXBIOIWOCHTO-QZTJIDSGSA-N 2 1 368.485 1.313 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316360 940550901 /nfs/dbraw/zinc/55/09/01/940550901.db2.gz GJMIGDWUEXSIDK-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316360 940550902 /nfs/dbraw/zinc/55/09/02/940550902.db2.gz GJMIGDWUEXSIDK-BBWFWOEESA-N 2 1 364.490 1.010 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001131461600 940619955 /nfs/dbraw/zinc/61/99/55/940619955.db2.gz RCVLLEZYEUPLTE-QYZOEREBSA-N 2 1 365.518 1.269 20 30 FDEDMP C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461600 940619958 /nfs/dbraw/zinc/61/99/58/940619958.db2.gz RCVLLEZYEUPLTE-QYZOEREBSA-N 2 1 365.518 1.269 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000819333970 943530279 /nfs/dbraw/zinc/53/02/79/943530279.db2.gz AIFWJSAEUFLEBB-HNNXBMFYSA-N 2 1 373.266 1.873 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000819333970 943530288 /nfs/dbraw/zinc/53/02/88/943530288.db2.gz AIFWJSAEUFLEBB-HNNXBMFYSA-N 2 1 373.266 1.873 20 30 FDEDMP COC(=O)c1ccc(C(=[NH2+])Nc2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1 ZINC001170988930 945036967 /nfs/dbraw/zinc/03/69/67/945036967.db2.gz GZPRMGVGIINJBS-UHFFFAOYSA-N 2 1 366.421 1.556 20 30 FDEDMP C#CCNC(=O)CC[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856604110 971249728 /nfs/dbraw/zinc/24/97/28/971249728.db2.gz JJBWKVMWRYJQQQ-IBGZPJMESA-N 2 1 358.486 1.514 20 30 FDEDMP C#CCNC(=O)CC[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604110 971249732 /nfs/dbraw/zinc/24/97/32/971249732.db2.gz JJBWKVMWRYJQQQ-IBGZPJMESA-N 2 1 358.486 1.514 20 30 FDEDMP C#CCNC(=O)CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856604110 971249739 /nfs/dbraw/zinc/24/97/39/971249739.db2.gz JJBWKVMWRYJQQQ-IBGZPJMESA-N 2 1 358.486 1.514 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC=C)C1 ZINC001090874145 947521542 /nfs/dbraw/zinc/52/15/42/947521542.db2.gz BUGIBOCJBXXMGY-HBMCJLEFSA-N 2 1 367.493 1.863 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CC=C)C1 ZINC001090874145 947521549 /nfs/dbraw/zinc/52/15/49/947521549.db2.gz BUGIBOCJBXXMGY-HBMCJLEFSA-N 2 1 367.493 1.863 20 30 FDEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1ccc(OC)cc1 ZINC001090880912 947597917 /nfs/dbraw/zinc/59/79/17/947597917.db2.gz QAJBHTRRLXFHTC-LSTHTHJFSA-N 2 1 355.482 1.697 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNC(=O)C2N=CC=CC2=O)[C@@H](C)C1 ZINC000772981441 952409969 /nfs/dbraw/zinc/40/99/69/952409969.db2.gz DFORHVLKEBSVAV-SMXHQDLGSA-N 2 1 364.490 1.239 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ncccc3C)C[C@@]2(C)C1 ZINC001091748162 952793072 /nfs/dbraw/zinc/79/30/72/952793072.db2.gz CXKOXMOTGRKOOL-CBQOVEMMSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ncccc3C)C[C@@]2(C)C1 ZINC001091748162 952793074 /nfs/dbraw/zinc/79/30/74/952793074.db2.gz CXKOXMOTGRKOOL-CBQOVEMMSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncccc3C)C[C@@]2(C)C1 ZINC001091748162 952793079 /nfs/dbraw/zinc/79/30/79/952793079.db2.gz CXKOXMOTGRKOOL-CBQOVEMMSA-N 2 1 366.509 1.768 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ncccc3C)C[C@@]2(C)C1 ZINC001091748162 952793082 /nfs/dbraw/zinc/79/30/82/952793082.db2.gz CXKOXMOTGRKOOL-CBQOVEMMSA-N 2 1 366.509 1.768 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086874662 952924865 /nfs/dbraw/zinc/92/48/65/952924865.db2.gz NCEZWVJETPYZJN-JENIJYKNSA-N 2 1 370.497 1.893 20 30 FDEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccc(OCC#N)cc3)C2)C1 ZINC001086874492 952924932 /nfs/dbraw/zinc/92/49/32/952924932.db2.gz GBDDMOOJYZBIEM-IPMKNSEASA-N 2 1 370.497 1.915 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cnn(C)c1 ZINC001086982110 953034781 /nfs/dbraw/zinc/03/47/81/953034781.db2.gz UCGUXVOSFKRJEY-YTQUADARSA-N 2 1 359.518 1.468 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4ccnn4C)C[C@@]3(C)C2)CC1 ZINC001092300462 954748632 /nfs/dbraw/zinc/74/86/32/954748632.db2.gz WKXQAUBFEBYDFD-NQIIRXRSSA-N 2 1 369.513 1.046 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504286 955276794 /nfs/dbraw/zinc/27/67/94/955276794.db2.gz KILJHMAXZIWSOP-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001092504286 955276798 /nfs/dbraw/zinc/27/67/98/955276798.db2.gz KILJHMAXZIWSOP-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001092504286 955276802 /nfs/dbraw/zinc/27/68/02/955276802.db2.gz KILJHMAXZIWSOP-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(F)ccc2C#N)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001092504286 955276806 /nfs/dbraw/zinc/27/68/06/955276806.db2.gz KILJHMAXZIWSOP-BJZITVGISA-N 2 1 358.461 1.976 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2cnccc2C)C[C@H]1C ZINC001092688822 956193567 /nfs/dbraw/zinc/19/35/67/956193567.db2.gz BLFWBAVVGPNWAS-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2cnccc2C)C[C@H]1C ZINC001092688822 956193575 /nfs/dbraw/zinc/19/35/75/956193575.db2.gz BLFWBAVVGPNWAS-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnccc2C)C[C@H]1C ZINC001092688822 956193580 /nfs/dbraw/zinc/19/35/80/956193580.db2.gz BLFWBAVVGPNWAS-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2cnccc2C)C[C@H]1C ZINC001092688822 956193584 /nfs/dbraw/zinc/19/35/84/956193584.db2.gz BLFWBAVVGPNWAS-RLLQIKCJSA-N 2 1 354.498 1.672 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001093193951 957753332 /nfs/dbraw/zinc/75/33/32/957753332.db2.gz QYTPIQWSCGNSFJ-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193951 957753337 /nfs/dbraw/zinc/75/33/37/957753337.db2.gz QYTPIQWSCGNSFJ-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(F)c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193951 957753342 /nfs/dbraw/zinc/75/33/42/957753342.db2.gz QYTPIQWSCGNSFJ-QGPMSJSTSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001093194999 957756332 /nfs/dbraw/zinc/75/63/32/957756332.db2.gz IOVMJUQPAZKCRH-FHLIZLRMSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093194999 957756336 /nfs/dbraw/zinc/75/63/36/957756336.db2.gz IOVMJUQPAZKCRH-FHLIZLRMSA-N 2 1 358.461 1.833 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(C#N)cc2F)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093194999 957756339 /nfs/dbraw/zinc/75/63/39/957756339.db2.gz IOVMJUQPAZKCRH-FHLIZLRMSA-N 2 1 358.461 1.833 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2C)CC1 ZINC001093223912 957854503 /nfs/dbraw/zinc/85/45/03/957854503.db2.gz JGXBZWZZJKYSEF-QWFCFKBJSA-N 2 1 361.530 1.442 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)n2)[C@H](C)C1 ZINC001093833127 958928700 /nfs/dbraw/zinc/92/87/00/958928700.db2.gz SXJQKTBFAPFFHK-LMMKCTJWSA-N 2 1 370.497 1.372 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cccc(OC)n2)[C@H](C)C1 ZINC001093833127 958928703 /nfs/dbraw/zinc/92/87/03/958928703.db2.gz SXJQKTBFAPFFHK-LMMKCTJWSA-N 2 1 370.497 1.372 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)C1=O ZINC001110153629 959832337 /nfs/dbraw/zinc/83/23/37/959832337.db2.gz DJXWVMMZXWAFOJ-YDZRNGNQSA-N 2 1 374.529 1.371 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCCCC2)C3)C1=O ZINC001110153629 959832346 /nfs/dbraw/zinc/83/23/46/959832346.db2.gz DJXWVMMZXWAFOJ-YDZRNGNQSA-N 2 1 374.529 1.371 20 30 FDEDMP C#C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCO1 ZINC000775791432 972491966 /nfs/dbraw/zinc/49/19/66/972491966.db2.gz MJWQKNDVCBLODY-PMACEKPBSA-N 2 1 355.482 1.669 20 30 FDEDMP C[NH+]1CCN(CC(=O)N(Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001178956225 964577399 /nfs/dbraw/zinc/57/73/99/964577399.db2.gz MTASXXHKCWITPM-MXVIHJGJSA-N 2 1 369.513 1.404 20 30 FDEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405519 966298965 /nfs/dbraw/zinc/29/89/65/966298965.db2.gz JMUBMWQPZFMDTO-PKOBYXMFSA-N 2 1 356.470 1.090 20 30 FDEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[N@H+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189136449 966788212 /nfs/dbraw/zinc/78/82/12/966788212.db2.gz YGVRBJGGNOCARJ-SQGPQFPESA-N 2 1 367.509 1.934 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189136449 966788220 /nfs/dbraw/zinc/78/82/20/966788220.db2.gz YGVRBJGGNOCARJ-SQGPQFPESA-N 2 1 367.509 1.934 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@@H]2C1 ZINC001189136449 966788225 /nfs/dbraw/zinc/78/82/25/966788225.db2.gz YGVRBJGGNOCARJ-SQGPQFPESA-N 2 1 367.509 1.934 20 30 FDEDMP Cc1nc(C[NH+]2CCC(CNC(=O)C#CC3CC[NH2+]CC3)CC2)oc1C ZINC000852866890 967672658 /nfs/dbraw/zinc/67/26/58/967672658.db2.gz NGOVRIPVEYZZGC-UHFFFAOYSA-N 2 1 358.486 1.623 20 30 FDEDMP C=C(C)CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001191468838 968524416 /nfs/dbraw/zinc/52/44/16/968524416.db2.gz PRLCRYTVNXFSHX-QRVBRYPASA-N 2 1 365.518 1.365 20 30 FDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198775130 973507818 /nfs/dbraw/zinc/50/78/18/973507818.db2.gz FLTCWTBFFALBMO-SZVBFZGTSA-N 2 1 359.470 1.185 20 30 FDEDMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1ccccc1OC ZINC001198775130 973507828 /nfs/dbraw/zinc/50/78/28/973507828.db2.gz FLTCWTBFFALBMO-SZVBFZGTSA-N 2 1 359.470 1.185 20 30 FDEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201453627 975067551 /nfs/dbraw/zinc/06/75/51/975067551.db2.gz CSKPOIRSPLBTJH-NJYVYQBISA-N 2 1 369.509 1.562 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)CC1 ZINC000847516353 975759744 /nfs/dbraw/zinc/75/97/44/975759744.db2.gz WAPCYIINVTYBQK-UHFFFAOYSA-N 3 1 374.573 1.787 20 30 FDEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000849097500 977314512 /nfs/dbraw/zinc/31/45/12/977314512.db2.gz RLOCECHDAAWNTN-LJQANCHMSA-N 2 1 365.566 1.528 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C3)C1=O ZINC001110738850 981745686 /nfs/dbraw/zinc/74/56/86/981745686.db2.gz WNLJXVFQWNOVQU-WCXIOVBPSA-N 2 1 362.518 1.225 20 30 FDEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C3)C1=O ZINC001110738850 981745691 /nfs/dbraw/zinc/74/56/91/981745691.db2.gz WNLJXVFQWNOVQU-WCXIOVBPSA-N 2 1 362.518 1.225 20 30 FDEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+](C)CC)C3)C1=O ZINC001110738850 981745695 /nfs/dbraw/zinc/74/56/95/981745695.db2.gz WNLJXVFQWNOVQU-WCXIOVBPSA-N 2 1 362.518 1.225 20 30 FDEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+](C)CC)C3)C1=O ZINC001110738850 981745700 /nfs/dbraw/zinc/74/57/00/981745700.db2.gz WNLJXVFQWNOVQU-WCXIOVBPSA-N 2 1 362.518 1.225 20 30 FDEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)C2 ZINC000884401291 983138891 /nfs/dbraw/zinc/13/88/91/983138891.db2.gz KFLKFPIBKFLZLC-LSNYBQGISA-N 2 1 368.481 1.009 20 30 FDEDMP N#CC1(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CCCCC1 ZINC000363142345 988949052 /nfs/dbraw/zinc/94/90/52/988949052.db2.gz KUSZFIFOGRUCHV-UHFFFAOYSA-N 2 1 362.518 1.763 20 30 FDEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000363572729 989314132 /nfs/dbraw/zinc/31/41/32/989314132.db2.gz IVBUXZSZCRRPCL-INIZCTEOSA-N 2 1 359.449 1.665 20 30 FDEDMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000363572729 989314139 /nfs/dbraw/zinc/31/41/39/989314139.db2.gz IVBUXZSZCRRPCL-INIZCTEOSA-N 2 1 359.449 1.665 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2C)CCO1 ZINC000877229443 993121592 /nfs/dbraw/zinc/12/15/92/993121592.db2.gz MONHOXMAHCVHSI-DLBZAZTESA-N 2 1 351.878 1.782 20 30 FDEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2C)CCO1 ZINC000877229443 993121601 /nfs/dbraw/zinc/12/16/01/993121601.db2.gz MONHOXMAHCVHSI-DLBZAZTESA-N 2 1 351.878 1.782 20 30 FDEDMP C[C@@]12CN(C(=O)C#CC3CC[NH2+]CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000877352260 993238531 /nfs/dbraw/zinc/23/85/31/993238531.db2.gz CCCWNHGRHGKWQT-RBBKRZOGSA-N 2 1 351.494 1.970 20 30 FDEDMP C[C@@H](O)[C@@H]1CC[NH+](Cc2cc(C#N)cc(C[N@@H+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393070 993938753 /nfs/dbraw/zinc/93/87/53/993938753.db2.gz ZVBGXCVTSKTWEA-VAKZPMALSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393070 993938755 /nfs/dbraw/zinc/93/87/55/993938755.db2.gz ZVBGXCVTSKTWEA-VAKZPMALSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(C#N)cc(C[NH+]3CC[C@@H]([C@H](C)O)C3)c2)C1 ZINC000878393070 993938757 /nfs/dbraw/zinc/93/87/57/993938757.db2.gz ZVBGXCVTSKTWEA-VAKZPMALSA-N 2 1 357.498 1.964 20 30 FDEDMP C[NH+](Cc1cc(C#N)cc(C[N@@H+](C)C[C@H]2C[C@@H](O)C2)c1)C[C@H]1C[C@@H](O)C1 ZINC000879056723 994497724 /nfs/dbraw/zinc/49/77/24/994497724.db2.gz TVNSCCGJMSEESU-MAOYLDMRSA-N 2 1 357.498 1.964 20 30 FDEDMP N#CCCn1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1 ZINC000926037692 995900120 /nfs/dbraw/zinc/90/01/20/995900120.db2.gz QKQOBPWPWWCVBJ-IYBDPMFKSA-N 2 1 357.462 1.229 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000926491973 996176396 /nfs/dbraw/zinc/17/63/96/996176396.db2.gz ZDDRXQKPFGIQPJ-VPLLLXJESA-N 2 1 365.518 1.849 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000926491973 996176401 /nfs/dbraw/zinc/17/64/01/996176401.db2.gz ZDDRXQKPFGIQPJ-VPLLLXJESA-N 2 1 365.518 1.849 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccnc(OC2CCCC2)c1 ZINC000264071206 997395226 /nfs/dbraw/zinc/39/52/26/997395226.db2.gz DIRKDPKSOBBQGB-UHFFFAOYSA-N 2 1 361.490 1.530 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(OCC(=O)N(C)C)c1 ZINC000264081753 997398661 /nfs/dbraw/zinc/39/86/61/997398661.db2.gz IUDNNVQYMYCGMS-INIZCTEOSA-N 2 1 361.490 1.042 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCCCCC2)nc1 ZINC000264115454 997405320 /nfs/dbraw/zinc/40/53/20/997405320.db2.gz PWDFOXGVBKBAKR-UHFFFAOYSA-N 2 1 374.533 1.589 20 30 FDEDMP C#Cc1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000927836031 1001092396 /nfs/dbraw/zinc/09/23/96/1001092396.db2.gz ZEOKOKJRBRPQFR-KDURUIRLSA-N 2 1 366.465 1.034 20 30 FDEDMP C#Cc1cccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000927836031 1001092407 /nfs/dbraw/zinc/09/24/07/1001092407.db2.gz ZEOKOKJRBRPQFR-KDURUIRLSA-N 2 1 366.465 1.034 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961676 1001753141 /nfs/dbraw/zinc/75/31/41/1001753141.db2.gz DRHMJDWMCSILGZ-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110961676 1001753144 /nfs/dbraw/zinc/75/31/44/1001753144.db2.gz DRHMJDWMCSILGZ-KURKYZTESA-N 2 1 362.518 1.250 20 30 FDEDMP COc1cc(C#N)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000930527192 1003241130 /nfs/dbraw/zinc/24/11/30/1003241130.db2.gz WDOJKARFRHNTFA-UHFFFAOYSA-N 2 1 351.410 1.966 20 30 FDEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001111023614 1004743587 /nfs/dbraw/zinc/74/35/87/1004743587.db2.gz SGQOJDPFXXDXCE-NJYVYQBISA-N 2 1 369.509 1.776 20 30 FDEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C2 ZINC001111023614 1004743595 /nfs/dbraw/zinc/74/35/95/1004743595.db2.gz SGQOJDPFXXDXCE-NJYVYQBISA-N 2 1 369.509 1.776 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC#Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC000959970077 1009230684 /nfs/dbraw/zinc/23/06/84/1009230684.db2.gz ZFHBDDWIJWLILZ-WRTQPQOASA-N 2 1 351.494 1.815 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC#Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000959970077 1009230695 /nfs/dbraw/zinc/23/06/95/1009230695.db2.gz ZFHBDDWIJWLILZ-WRTQPQOASA-N 2 1 351.494 1.815 20 30 FDEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC#Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000959970077 1009230704 /nfs/dbraw/zinc/23/07/04/1009230704.db2.gz ZFHBDDWIJWLILZ-WRTQPQOASA-N 2 1 351.494 1.815 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000647028760 1009402968 /nfs/dbraw/zinc/40/29/68/1009402968.db2.gz ICFJOVJIMJQCFT-KRWDZBQOSA-N 2 1 350.507 1.086 20 30 FDEDMP COc1cc(C#N)ccc1OCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126483374 173042820 /nfs/dbraw/zinc/04/28/20/173042820.db2.gz YVUJJVCOELKKRT-UHFFFAOYSA-N 2 1 360.502 1.903 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000557769807 544344517 /nfs/dbraw/zinc/34/45/17/544344517.db2.gz SRESCDMINQZCBQ-SJORKVTESA-N 2 1 364.534 1.380 20 30 FDEDMP C[C@@H]1C[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000136876167 524219652 /nfs/dbraw/zinc/21/96/52/524219652.db2.gz WZEHYKVHFUJECC-QUCCMNQESA-N 2 1 373.545 1.524 20 30 FDEDMP C[C@@H]1C[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000136876167 524219659 /nfs/dbraw/zinc/21/96/59/524219659.db2.gz WZEHYKVHFUJECC-QUCCMNQESA-N 3 1 373.545 1.524 20 30 FDEDMP C[C@@H]1C[C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000136876167 524219663 /nfs/dbraw/zinc/21/96/63/524219663.db2.gz WZEHYKVHFUJECC-QUCCMNQESA-N 3 1 373.545 1.524 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000104180138 525397329 /nfs/dbraw/zinc/39/73/29/525397329.db2.gz KPTOUOJGRWOTMJ-YLJYHZDGSA-N 2 1 373.545 1.796 20 30 FDEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000104180138 525397336 /nfs/dbraw/zinc/39/73/36/525397336.db2.gz KPTOUOJGRWOTMJ-YLJYHZDGSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1 ZINC000104180138 525397342 /nfs/dbraw/zinc/39/73/42/525397342.db2.gz KPTOUOJGRWOTMJ-YLJYHZDGSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000104180138 525397347 /nfs/dbraw/zinc/39/73/47/525397347.db2.gz KPTOUOJGRWOTMJ-YLJYHZDGSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000104180138 525397354 /nfs/dbraw/zinc/39/73/54/525397354.db2.gz KPTOUOJGRWOTMJ-YLJYHZDGSA-N 3 1 373.545 1.796 20 30 FDEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(OC)c(OC)cc1OC ZINC000104156569 525397944 /nfs/dbraw/zinc/39/79/44/525397944.db2.gz GSERMEFRFWXNPX-AWEZNQCLSA-N 2 1 350.463 1.601 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000171737701 526103472 /nfs/dbraw/zinc/10/34/72/526103472.db2.gz VMOPQDAMJFDUJS-MRXNPFEDSA-N 2 1 350.507 1.532 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000418793749 537768766 /nfs/dbraw/zinc/76/87/66/537768766.db2.gz QFDDAPPESXQYTO-RTBURBONSA-N 2 1 355.486 1.903 20 30 FDEDMP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000451680397 538301588 /nfs/dbraw/zinc/30/15/88/538301588.db2.gz LQJAPNZZDODCAI-MSOLQXFVSA-N 2 1 365.518 1.461 20 30 FDEDMP C[N@@H+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000565713670 547452092 /nfs/dbraw/zinc/45/20/92/547452092.db2.gz JFUAOWITKHCHLL-RTBURBONSA-N 2 1 357.502 1.503 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCC#N)[C@@H](c2ccccc2)C1 ZINC000565713670 547452099 /nfs/dbraw/zinc/45/20/99/547452099.db2.gz JFUAOWITKHCHLL-RTBURBONSA-N 2 1 357.502 1.503 20 30 FDEDMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000580183184 550951928 /nfs/dbraw/zinc/95/19/28/550951928.db2.gz WXIRSVUHXYBMOO-MRXNPFEDSA-N 2 1 364.515 1.971 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000591358527 551865719 /nfs/dbraw/zinc/86/57/19/551865719.db2.gz BSAREAVVBCRLRA-LJQANCHMSA-N 2 1 355.486 1.918 20 30 FDEDMP C[N@@H+](CCN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1)Cc1ccccc1 ZINC000594438592 552310483 /nfs/dbraw/zinc/31/04/83/552310483.db2.gz OSCOFXKAYMZSNR-FQEVSTJZSA-N 2 1 371.529 1.674 20 30 FDEDMP N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C(F)(F)F)c1 ZINC000595890765 552629354 /nfs/dbraw/zinc/62/93/54/552629354.db2.gz FZKJLWXZWRGMKS-CQSZACIVSA-N 2 1 354.376 1.864 20 30 FDEDMP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N ZINC000600708251 553305150 /nfs/dbraw/zinc/30/51/50/553305150.db2.gz DTHHDYNYLHXSSK-RTBURBONSA-N 2 1 353.470 1.587 20 30 FDEDMP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1C#N ZINC000600708251 553305153 /nfs/dbraw/zinc/30/51/53/553305153.db2.gz DTHHDYNYLHXSSK-RTBURBONSA-N 2 1 353.470 1.587 20 30 FDEDMP N#CC1(C[C@@H](O)C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCOCC1 ZINC000600714124 553305787 /nfs/dbraw/zinc/30/57/87/553305787.db2.gz JFZVPSVPUYKTGX-HXUWFJFHSA-N 2 1 373.497 1.680 20 30 FDEDMP C[N@H+]1CCC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120864 671492017 /nfs/dbraw/zinc/49/20/17/671492017.db2.gz JPPHHTLIJGZIBB-HUUCEWRRSA-N 2 1 351.495 1.209 20 30 FDEDMP C[NH+]=C(NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)N1CCO[C@H](COC)C1 ZINC000261986477 672706875 /nfs/dbraw/zinc/70/68/75/672706875.db2.gz RWLXHJYPMZOBCD-BBWFWOEESA-N 2 1 354.539 1.666 20 30 FDEDMP C[NH+]=C(NCc1nc(C)c(C)s1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262328949 672771146 /nfs/dbraw/zinc/77/11/46/672771146.db2.gz AMDXWTAELBUOBK-OAHLLOKOSA-N 2 1 351.520 1.489 20 30 FDEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(C(=O)C(C)C)CC1 ZINC000262816098 672851056 /nfs/dbraw/zinc/85/10/56/672851056.db2.gz VQINNHBQBVFWOE-GOSISDBHSA-N 2 1 369.579 1.189 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)CC[NH+]1CCN(CC)CC1)C(C)C ZINC000266823358 673199121 /nfs/dbraw/zinc/19/91/21/673199121.db2.gz IZBWFCJZOWNXIP-LJQANCHMSA-N 2 1 350.551 1.829 20 30 FDEDMP Cc1cc(Br)ccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267456752 673305997 /nfs/dbraw/zinc/30/59/97/673305997.db2.gz TYIUBKZMHRNREN-UHFFFAOYSA-N 2 1 369.307 1.884 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)c1cc(OC)cc(OC)c1 ZINC000267462451 673306671 /nfs/dbraw/zinc/30/66/71/673306671.db2.gz VNPZXCKLVZVKSH-RHSMWYFYSA-N 2 1 350.463 1.126 20 30 FDEDMP [NH2+]=C(NCCCSc1ccc(F)cc1)NCCC[NH+]1CCOCC1 ZINC000303770725 676542845 /nfs/dbraw/zinc/54/28/45/676542845.db2.gz CBPMIKZNTHOYSQ-UHFFFAOYSA-N 2 1 354.495 1.935 20 30 FDEDMP Cc1ccc(CSCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000303772937 676542866 /nfs/dbraw/zinc/54/28/66/676542866.db2.gz DXDBDYAQVBAUHX-UHFFFAOYSA-N 2 1 350.532 1.855 20 30 FDEDMP CCC(CC)[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC)N1CCOCC1 ZINC000303790338 676542953 /nfs/dbraw/zinc/54/29/53/676542953.db2.gz WBWJMVGDCKAXNH-ROUUACIJSA-N 2 1 353.555 1.512 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CCSCC1 ZINC000303869361 676543342 /nfs/dbraw/zinc/54/33/42/676543342.db2.gz AVBTUPRMAAUGEQ-UHFFFAOYSA-N 2 1 361.559 1.558 20 30 FDEDMP COCC[N@@H+](C)CCOc1cccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000303981570 676543951 /nfs/dbraw/zinc/54/39/51/676543951.db2.gz PGYJAECIMTZXFQ-UHFFFAOYSA-N 2 1 366.531 1.507 20 30 FDEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000330035570 676669559 /nfs/dbraw/zinc/66/95/59/676669559.db2.gz XOEJLDVAGYIBKY-SFHVURJKSA-N 2 1 351.539 1.533 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330246135 676680624 /nfs/dbraw/zinc/68/06/24/676680624.db2.gz YBCFUMWOVZKMAG-KURKYZTESA-N 2 1 352.523 1.694 20 30 FDEDMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)C1 ZINC000362944128 676927946 /nfs/dbraw/zinc/92/79/46/676927946.db2.gz XEQUSRLCFXRRKT-MRXNPFEDSA-N 2 1 361.515 1.660 20 30 FDEDMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)C1 ZINC000362944128 676927948 /nfs/dbraw/zinc/92/79/48/676927948.db2.gz XEQUSRLCFXRRKT-MRXNPFEDSA-N 2 1 361.515 1.660 20 30 FDEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378424618 678746815 /nfs/dbraw/zinc/74/68/15/678746815.db2.gz FGAVGXCBRLYRJL-MOPGFXCFSA-N 2 1 350.551 1.759 20 30 FDEDMP N#Cc1c2c(cnc1N1CC[NH+](CCc3ccccn3)CC1)C[NH2+]CCC2 ZINC001165054476 722008554 /nfs/dbraw/zinc/00/85/54/722008554.db2.gz NMFIJSBPJDQNLY-UHFFFAOYSA-N 2 1 362.481 1.749 20 30 FDEDMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969705232 770693527 /nfs/dbraw/zinc/69/35/27/770693527.db2.gz VGWNRCUDSLJVKN-HBUWYVDXSA-N 2 1 358.461 1.974 20 30 FDEDMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1C[NH+](Cc2ccc(F)c(C#N)c2)C1 ZINC000969705232 770693540 /nfs/dbraw/zinc/69/35/40/770693540.db2.gz VGWNRCUDSLJVKN-HBUWYVDXSA-N 2 1 358.461 1.974 20 30 FDEDMP C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083248061 783426947 /nfs/dbraw/zinc/42/69/47/783426947.db2.gz QFZDZPSAEDVPCS-HSALFYBXSA-N 2 1 368.481 1.312 20 30 FDEDMP C[N@H+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083248061 783426952 /nfs/dbraw/zinc/42/69/52/783426952.db2.gz QFZDZPSAEDVPCS-HSALFYBXSA-N 2 1 368.481 1.312 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083248061 783426961 /nfs/dbraw/zinc/42/69/61/783426961.db2.gz QFZDZPSAEDVPCS-HSALFYBXSA-N 2 1 368.481 1.312 20 30 FDEDMP C[NH+]1CC[C@H](CC(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083248061 783426966 /nfs/dbraw/zinc/42/69/66/783426966.db2.gz QFZDZPSAEDVPCS-HSALFYBXSA-N 2 1 368.481 1.312 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)O1 ZINC001024998655 787109122 /nfs/dbraw/zinc/10/91/22/787109122.db2.gz IDTUDJDNGLWQDQ-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(C#N)c2)O1 ZINC001024998655 787109127 /nfs/dbraw/zinc/10/91/27/787109127.db2.gz IDTUDJDNGLWQDQ-NSISKUIASA-N 2 1 370.497 1.748 20 30 FDEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098610945 794273641 /nfs/dbraw/zinc/27/36/41/794273641.db2.gz RTROZQLPMOOYSP-KZNAEPCWSA-N 2 1 365.518 1.364 20 30 FDEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098610945 794273647 /nfs/dbraw/zinc/27/36/47/794273647.db2.gz RTROZQLPMOOYSP-KZNAEPCWSA-N 2 1 365.518 1.364 20 30 FDEDMP C#CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001087428280 806749536 /nfs/dbraw/zinc/74/95/36/806749536.db2.gz WJMYCFGQDQFROM-QHAWAJNXSA-N 2 1 351.494 1.936 20 30 FDEDMP C#CC[N@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001087428280 806749537 /nfs/dbraw/zinc/74/95/37/806749537.db2.gz WJMYCFGQDQFROM-QHAWAJNXSA-N 2 1 351.494 1.936 20 30 FDEDMP C=CC[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCN(C)CC3)cc2)CCC[NH2+]1 ZINC000662758656 803076125 /nfs/dbraw/zinc/07/61/25/803076125.db2.gz VONUCWXXMFSYKF-OAQYLSRUSA-N 2 1 372.513 1.950 20 30 FDEDMP C=CC[C@@]1(C(=O)NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941542 804590332 /nfs/dbraw/zinc/59/03/32/804590332.db2.gz XJMIOQYZIIZHEI-FPOVZHCZSA-N 2 1 356.514 1.617 20 30 FDEDMP C=CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](C)CCN2Cc2ccccc2)CCC[NH2+]1 ZINC000662941542 804590335 /nfs/dbraw/zinc/59/03/35/804590335.db2.gz XJMIOQYZIIZHEI-FPOVZHCZSA-N 2 1 356.514 1.617 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981194435 807699748 /nfs/dbraw/zinc/69/97/48/807699748.db2.gz QKKUUVQUIXISFB-VQIMIIECSA-N 2 1 370.497 1.941 20 30 FDEDMP COc1ccc(C#N)cc1C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981194435 807699753 /nfs/dbraw/zinc/69/97/53/807699753.db2.gz QKKUUVQUIXISFB-VQIMIIECSA-N 2 1 370.497 1.941 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981194435 807699758 /nfs/dbraw/zinc/69/97/58/807699758.db2.gz QKKUUVQUIXISFB-VQIMIIECSA-N 2 1 370.497 1.941 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981194435 807699761 /nfs/dbraw/zinc/69/97/61/807699761.db2.gz QKKUUVQUIXISFB-VQIMIIECSA-N 2 1 370.497 1.941 20 30 FDEDMP C[C@@H]1CN(C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628836 811655772 /nfs/dbraw/zinc/65/57/72/811655772.db2.gz AJMXTIJECZPEDV-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628836 811655777 /nfs/dbraw/zinc/65/57/77/811655777.db2.gz AJMXTIJECZPEDV-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628836 811655784 /nfs/dbraw/zinc/65/57/84/811655784.db2.gz AJMXTIJECZPEDV-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)O1 ZINC001028628836 811655795 /nfs/dbraw/zinc/65/57/95/811655795.db2.gz AJMXTIJECZPEDV-AYOQOUSVSA-N 2 1 356.470 1.215 20 30 FDEDMP COc1ccc(C#N)cc1C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000983705531 818627209 /nfs/dbraw/zinc/62/72/09/818627209.db2.gz XEQUIXKFUQWROJ-YCEFEEMOSA-N 2 1 370.497 1.891 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330437220 819613964 /nfs/dbraw/zinc/61/39/64/819613964.db2.gz ROTGULRDVPTUIZ-QKLQHJQFSA-N 2 1 364.534 1.862 20 30 FDEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330437220 819613967 /nfs/dbraw/zinc/61/39/67/819613967.db2.gz ROTGULRDVPTUIZ-QKLQHJQFSA-N 2 1 364.534 1.862 20 30 FDEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000895667058 822694646 /nfs/dbraw/zinc/69/46/46/822694646.db2.gz XNPNCVVOXSDSHS-INIZCTEOSA-N 2 1 366.506 1.306 20 30 FDEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000895667058 822694647 /nfs/dbraw/zinc/69/46/47/822694647.db2.gz XNPNCVVOXSDSHS-INIZCTEOSA-N 2 1 366.506 1.306 20 30 FDEDMP C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001087920079 823865415 /nfs/dbraw/zinc/86/54/15/823865415.db2.gz DJLBLUVVSNOSTR-HSALFYBXSA-N 2 1 368.481 1.169 20 30 FDEDMP C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001087920079 823865428 /nfs/dbraw/zinc/86/54/28/823865428.db2.gz DJLBLUVVSNOSTR-HSALFYBXSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001087920079 823865471 /nfs/dbraw/zinc/86/54/71/823865471.db2.gz DJLBLUVVSNOSTR-HSALFYBXSA-N 2 1 368.481 1.169 20 30 FDEDMP C[NH+]1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)CC[C@@H]3C2)C1 ZINC001087920079 823865510 /nfs/dbraw/zinc/86/55/10/823865510.db2.gz DJLBLUVVSNOSTR-HSALFYBXSA-N 2 1 368.481 1.169 20 30 FDEDMP O=C(NCc1ccc(CN2CCOCC2)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000329466524 824813070 /nfs/dbraw/zinc/81/30/70/824813070.db2.gz SBCDEMXBEAWSNO-SFHVURJKSA-N 2 1 358.486 1.759 20 30 FDEDMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000329466524 824813084 /nfs/dbraw/zinc/81/30/84/824813084.db2.gz SBCDEMXBEAWSNO-SFHVURJKSA-N 2 1 358.486 1.759 20 30 FDEDMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000329779527 825449715 /nfs/dbraw/zinc/44/97/15/825449715.db2.gz LYZWYGUEGPTOCX-HNNXBMFYSA-N 2 1 367.538 1.115 20 30 FDEDMP CCNC(NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)=[NH+]CC ZINC000303254270 827825877 /nfs/dbraw/zinc/82/58/77/827825877.db2.gz DOTXHFVJUHXTSB-UHFFFAOYSA-N 2 1 361.490 1.422 20 30 FDEDMP COc1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1C#N ZINC000448550162 829178918 /nfs/dbraw/zinc/17/89/18/829178918.db2.gz RABYTKMMTOXAPA-SJLPKXTDSA-N 2 1 356.470 1.647 20 30 FDEDMP C=CC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000262004901 837387789 /nfs/dbraw/zinc/38/77/89/837387789.db2.gz DVPPMKFAJQMUCA-MRXNPFEDSA-N 2 1 369.473 1.033 20 30 FDEDMP O[C@@H]1CC[C@@H]2C[NH+](CC#CC[N@H+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700357 830424691 /nfs/dbraw/zinc/42/46/91/830424691.db2.gz NSGGCHZGCCPGOQ-DRGMGAIOSA-N 2 1 360.542 1.956 20 30 FDEDMP O[C@@H]1CC[C@@H]2C[N@H+](CC#CC[NH+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700357 830424694 /nfs/dbraw/zinc/42/46/94/830424694.db2.gz NSGGCHZGCCPGOQ-DRGMGAIOSA-N 2 1 360.542 1.956 20 30 FDEDMP O[C@@H]1CC[C@@H]2C[N@@H+](CC#CC[NH+]3CC[C@H]4C[C@H](O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC000451700357 830424698 /nfs/dbraw/zinc/42/46/98/830424698.db2.gz NSGGCHZGCCPGOQ-DRGMGAIOSA-N 2 1 360.542 1.956 20 30 FDEDMP CN1CCC[NH+]=C1NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000263083838 832309238 /nfs/dbraw/zinc/30/92/38/832309238.db2.gz IAKVCVRPQSFTEX-UHFFFAOYSA-N 2 1 371.529 1.639 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC[C@H]4CCCO4)C[C@H]32)CC1 ZINC001076604662 848554960 /nfs/dbraw/zinc/55/49/60/848554960.db2.gz PUSUIDUGAVXASB-XUVXKRRUSA-N 2 1 359.514 1.433 20 30 FDEDMP CCOCCC[NH+]=C(NC[C@H](C)CN1CC[NH+](C)CC1)NC(C)(C)C ZINC000912499681 859826493 /nfs/dbraw/zinc/82/64/93/859826493.db2.gz YBPZTKQPVNTFKS-KRWDZBQOSA-N 2 1 355.571 1.630 20 30 FDEDMP C=CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000669032122 860844894 /nfs/dbraw/zinc/84/48/94/860844894.db2.gz AXEBRRURQXELOS-TVFCKZIOSA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC000669032122 860844907 /nfs/dbraw/zinc/84/49/07/860844907.db2.gz AXEBRRURQXELOS-TVFCKZIOSA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C ZINC000669032122 860844939 /nfs/dbraw/zinc/84/49/39/860844939.db2.gz AXEBRRURQXELOS-TVFCKZIOSA-N 2 1 374.533 1.919 20 30 FDEDMP C=CCn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000669034099 860855827 /nfs/dbraw/zinc/85/58/27/860855827.db2.gz ICVPGKSYVMFBGH-MSOLQXFVSA-N 2 1 372.517 1.674 20 30 FDEDMP C#CCN(C(=O)NC[C@H](C(C)C)[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000913992915 870261008 /nfs/dbraw/zinc/26/10/08/870261008.db2.gz LOZBIUYVZFHQPO-GOSISDBHSA-N 2 1 350.507 1.082 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1)C(C)C ZINC000672729197 871542086 /nfs/dbraw/zinc/54/20/86/871542086.db2.gz JLOCKTUFRFNFTN-GOSISDBHSA-N 2 1 366.550 1.783 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499599024 871649394 /nfs/dbraw/zinc/64/93/94/871649394.db2.gz FORFNVGOPJTEMV-SCTDSRPQSA-N 2 1 365.518 1.364 20 30 FDEDMP C=CCN1CC[C@H]([NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000499599024 871649399 /nfs/dbraw/zinc/64/93/99/871649399.db2.gz FORFNVGOPJTEMV-SCTDSRPQSA-N 2 1 365.518 1.364 20 30 FDEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089941581 912556999 /nfs/dbraw/zinc/55/69/99/912556999.db2.gz JEGTUZKDINOXNX-CEXWTWQISA-N 2 1 361.530 1.727 20 30 FDEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089941581 912557018 /nfs/dbraw/zinc/55/70/18/912557018.db2.gz JEGTUZKDINOXNX-CEXWTWQISA-N 2 1 361.530 1.727 20 30 FDEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC2(CCOCC2)C1 ZINC001089941581 912557031 /nfs/dbraw/zinc/55/70/31/912557031.db2.gz JEGTUZKDINOXNX-CEXWTWQISA-N 2 1 361.530 1.727 20 30 FDEDMP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106839624 880433799 /nfs/dbraw/zinc/43/37/99/880433799.db2.gz LNCSMELEHAJYKV-QZTJIDSGSA-N 2 1 364.534 1.213 20 30 FDEDMP C=CCC[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084307 885707226 /nfs/dbraw/zinc/70/72/26/885707226.db2.gz HFFFRQLTOGOIPB-BBWFWOEESA-N 2 1 362.522 1.705 20 30 FDEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084307 885707238 /nfs/dbraw/zinc/70/72/38/885707238.db2.gz HFFFRQLTOGOIPB-BBWFWOEESA-N 2 1 362.522 1.705 20 30 FDEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084307 885707251 /nfs/dbraw/zinc/70/72/51/885707251.db2.gz HFFFRQLTOGOIPB-BBWFWOEESA-N 2 1 362.522 1.705 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000676249947 886309364 /nfs/dbraw/zinc/30/93/64/886309364.db2.gz JKSAFQHJXHUOJQ-RCCFBDPRSA-N 2 1 352.523 1.703 20 30 FDEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000676249947 886309373 /nfs/dbraw/zinc/30/93/73/886309373.db2.gz JKSAFQHJXHUOJQ-RCCFBDPRSA-N 2 1 352.523 1.703 20 30 FDEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)cc3C)C[C@H]2O)CC1 ZINC001078227065 898426868 /nfs/dbraw/zinc/42/68/68/898426868.db2.gz HMQCDZRKFOWSGM-NHCUHLMSSA-N 2 1 369.509 1.310 20 30 FDEDMP C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)CC[N@H+]1C ZINC001078405095 898745889 /nfs/dbraw/zinc/74/58/89/898745889.db2.gz DXKZSIRSINXRGS-LSTHTHJFSA-N 2 1 370.497 1.606 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083167033 901916509 /nfs/dbraw/zinc/91/65/09/901916509.db2.gz SOFONAWOIASFDM-OAHLLOKOSA-N 2 1 356.449 1.913 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2)c(F)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083167033 901916511 /nfs/dbraw/zinc/91/65/11/901916511.db2.gz SOFONAWOIASFDM-OAHLLOKOSA-N 2 1 356.449 1.913 20 30 FDEDMP C#CCN1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CCCCN2C)C1 ZINC001079138201 902018557 /nfs/dbraw/zinc/01/85/57/902018557.db2.gz SXCATONJXWSASL-XUVXKRRUSA-N 2 1 355.482 1.178 20 30 FDEDMP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cccc(F)c1 ZINC001079203732 902104797 /nfs/dbraw/zinc/10/47/97/902104797.db2.gz LFJWPUOYKVJPMS-RBUKOAKNSA-N 2 1 361.461 1.618 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001079494512 902709812 /nfs/dbraw/zinc/70/98/12/902709812.db2.gz GOFWAOTYGCPHFG-LZQZEXGQSA-N 2 1 356.470 1.620 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001079494512 902709821 /nfs/dbraw/zinc/70/98/21/902709821.db2.gz GOFWAOTYGCPHFG-LZQZEXGQSA-N 2 1 356.470 1.620 20 30 FDEDMP C[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001079494512 902709837 /nfs/dbraw/zinc/70/98/37/902709837.db2.gz GOFWAOTYGCPHFG-LZQZEXGQSA-N 2 1 356.470 1.620 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710768 903121464 /nfs/dbraw/zinc/12/14/64/903121464.db2.gz WCYUYPVALLQJRC-LXGCGDOSSA-N 2 1 370.472 1.976 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001079710768 903121493 /nfs/dbraw/zinc/12/14/93/903121493.db2.gz WCYUYPVALLQJRC-LXGCGDOSSA-N 2 1 370.472 1.976 20 30 FDEDMP C=CCC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001127832912 906475761 /nfs/dbraw/zinc/47/57/61/906475761.db2.gz SEIIWUZEKIPSPA-BHIYHBOVSA-N 2 1 371.529 1.782 20 30 FDEDMP C#CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001127888200 907484086 /nfs/dbraw/zinc/48/40/86/907484086.db2.gz LNJOWKPTBGIIHX-BPQIPLTHSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[NH2+]Cc1ccncc1O[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001127888200 907484093 /nfs/dbraw/zinc/48/40/93/907484093.db2.gz LNJOWKPTBGIIHX-BPQIPLTHSA-N 2 1 356.470 1.124 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001082567825 908702718 /nfs/dbraw/zinc/70/27/18/908702718.db2.gz DQSWQLGNODSBNB-OLMNPRSZSA-N 2 1 360.889 1.769 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC001082567825 908702732 /nfs/dbraw/zinc/70/27/32/908702732.db2.gz DQSWQLGNODSBNB-OLMNPRSZSA-N 2 1 360.889 1.769 20 30 FDEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001082933914 910989245 /nfs/dbraw/zinc/98/92/45/910989245.db2.gz ORFWPTIMTUTVPK-KBRIMQKVSA-N 2 1 362.499 1.277 20 30 FDEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccc(C#N)s3)C2)C1 ZINC001082933914 910989248 /nfs/dbraw/zinc/98/92/48/910989248.db2.gz ORFWPTIMTUTVPK-KBRIMQKVSA-N 2 1 362.499 1.277 20 30 FDEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403539 911180283 /nfs/dbraw/zinc/18/02/83/911180283.db2.gz MVEJIWFMSFPMGR-QZTJIDSGSA-N 2 1 356.470 1.358 20 30 FDEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001212403539 911180291 /nfs/dbraw/zinc/18/02/91/911180291.db2.gz MVEJIWFMSFPMGR-QZTJIDSGSA-N 2 1 356.470 1.358 20 30 FDEDMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC#Cc4ccccc4)C[C@H]32)CC1 ZINC001084629403 915752344 /nfs/dbraw/zinc/75/23/44/915752344.db2.gz VMKMSBDZSIOZII-NHCUHLMSSA-N 2 1 351.494 1.913 20 30 FDEDMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC#Cc4ccccc4)C[C@H]32)CC1 ZINC001084629403 915752361 /nfs/dbraw/zinc/75/23/61/915752361.db2.gz VMKMSBDZSIOZII-NHCUHLMSSA-N 2 1 351.494 1.913 20 30 FDEDMP C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084943172 918610265 /nfs/dbraw/zinc/61/02/65/918610265.db2.gz LEQOXAIDOGNYGF-LMCOJAPRSA-N 2 1 361.530 1.842 20 30 FDEDMP CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084942212 918638494 /nfs/dbraw/zinc/63/84/94/918638494.db2.gz IICGSTOSOFPQEF-PBASOCQRSA-N 2 1 373.541 1.679 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOC3CCC3)[C@H]2C1 ZINC001084960949 918905629 /nfs/dbraw/zinc/90/56/29/918905629.db2.gz AQGCDTRFDGDZAS-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOC3CCC3)[C@H]2C1 ZINC001084960949 918905634 /nfs/dbraw/zinc/90/56/34/918905634.db2.gz AQGCDTRFDGDZAS-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOC3CCC3)[C@H]2C1 ZINC001084960949 918905640 /nfs/dbraw/zinc/90/56/40/918905640.db2.gz AQGCDTRFDGDZAS-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOC3CCC3)[C@H]2C1 ZINC001084960949 918905644 /nfs/dbraw/zinc/90/56/44/918905644.db2.gz AQGCDTRFDGDZAS-HOJAQTOUSA-N 2 1 359.514 1.576 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000732150937 919150985 /nfs/dbraw/zinc/15/09/85/919150985.db2.gz MJHLZJVWYPNRGF-FQEVSTJZSA-N 2 1 355.482 1.875 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000732150937 919150990 /nfs/dbraw/zinc/15/09/90/919150990.db2.gz MJHLZJVWYPNRGF-FQEVSTJZSA-N 2 1 355.482 1.875 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1C ZINC001085229832 922983660 /nfs/dbraw/zinc/98/36/60/922983660.db2.gz MMISNBZETNEGLL-QRVBRYPASA-N 2 1 357.502 1.343 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(C)nc1C ZINC001085229832 922983661 /nfs/dbraw/zinc/98/36/61/922983661.db2.gz MMISNBZETNEGLL-QRVBRYPASA-N 2 1 357.502 1.343 20 30 FDEDMP CCOCCC[N@H+]1CCC(=NNC(=S)NCCC[NH+](C)C)[C@H](C)C1 ZINC000735229387 924137388 /nfs/dbraw/zinc/13/73/88/924137388.db2.gz DJQWWCNHQUOONY-OAHLLOKOSA-N 2 1 357.568 1.527 20 30 FDEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129327348 926243191 /nfs/dbraw/zinc/24/31/91/926243191.db2.gz UJLDILZOBLEAJM-FGTMMUONSA-N 2 1 360.506 1.009 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655004 930033358 /nfs/dbraw/zinc/03/33/58/930033358.db2.gz DRHMJDWMCSILGZ-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655004 930033364 /nfs/dbraw/zinc/03/33/64/930033364.db2.gz DRHMJDWMCSILGZ-SQNIBIBYSA-N 2 1 362.518 1.250 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438692 938425645 /nfs/dbraw/zinc/42/56/45/938425645.db2.gz ZLBPFKYYVAODBD-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438692 938425647 /nfs/dbraw/zinc/42/56/47/938425647.db2.gz ZLBPFKYYVAODBD-MSOLQXFVSA-N 2 1 360.506 1.462 20 30 FDEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129460377 938435840 /nfs/dbraw/zinc/43/58/40/938435840.db2.gz LLCRBXWIAZTUFP-FGTMMUONSA-N 2 1 360.506 1.316 20 30 FDEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129460377 938435843 /nfs/dbraw/zinc/43/58/43/938435843.db2.gz LLCRBXWIAZTUFP-FGTMMUONSA-N 2 1 360.506 1.316 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130040730 938627248 /nfs/dbraw/zinc/62/72/48/938627248.db2.gz JEEVEQUNHWPQQK-SJORKVTESA-N 2 1 357.462 1.181 20 30 FDEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001130028263 938630517 /nfs/dbraw/zinc/63/05/17/938630517.db2.gz NGADMOPLQZAUPX-SJORKVTESA-N 2 1 371.489 1.606 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(C)C)C1 ZINC001130610920 939908364 /nfs/dbraw/zinc/90/83/64/939908364.db2.gz VHEUPUVFKBGGMY-SXLOBPIMSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC(C)C)C1 ZINC001130610920 939908367 /nfs/dbraw/zinc/90/83/67/939908367.db2.gz VHEUPUVFKBGGMY-SXLOBPIMSA-N 2 1 371.529 1.448 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001131010363 940441239 /nfs/dbraw/zinc/44/12/39/940441239.db2.gz KLLCYKGAKGFVAL-QRVBRYPASA-N 2 1 369.513 1.368 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC=C(C)C)C1 ZINC001131010363 940441242 /nfs/dbraw/zinc/44/12/42/940441242.db2.gz KLLCYKGAKGFVAL-QRVBRYPASA-N 2 1 369.513 1.368 20 30 FDEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131030898 940450520 /nfs/dbraw/zinc/45/05/20/940450520.db2.gz DDUGSLJPJWWYKX-IAGOWNOFSA-N 2 1 356.474 1.475 20 30 FDEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1c1cncn1C ZINC001131132447 940512592 /nfs/dbraw/zinc/51/25/92/940512592.db2.gz LCFNXYHEOCZHJS-KURKYZTESA-N 2 1 357.502 1.202 20 30 FDEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001131500133 940651240 /nfs/dbraw/zinc/65/12/40/940651240.db2.gz MAPIBCBHJWHDPE-NMLBUPMWSA-N 2 1 361.530 1.726 20 30 FDEDMP C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001131587819 940756469 /nfs/dbraw/zinc/75/64/69/940756469.db2.gz BORVPMFCVWUPKL-QUCCMNQESA-N 2 1 367.534 1.517 20 30 FDEDMP C#CC[N@H+](C)CCCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000818589291 943296389 /nfs/dbraw/zinc/29/63/89/943296389.db2.gz VPYMTXDYUHOMAB-UHFFFAOYSA-N 2 1 356.514 1.902 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001136962092 946854095 /nfs/dbraw/zinc/85/40/95/946854095.db2.gz AKPHVHQDWZACGK-JOCHJYFZSA-N 2 1 369.509 1.617 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114732 951124995 /nfs/dbraw/zinc/12/49/95/951124995.db2.gz CTUOLQVEGXMRFP-RDGPPVDQSA-N 2 1 374.529 1.112 20 30 FDEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCCC1)C2 ZINC001110114732 951124998 /nfs/dbraw/zinc/12/49/98/951124998.db2.gz CTUOLQVEGXMRFP-RDGPPVDQSA-N 2 1 374.529 1.112 20 30 FDEDMP CC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735091 952754087 /nfs/dbraw/zinc/75/40/87/952754087.db2.gz IXSYZPDEUUWWLC-QFUCXCTJSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735091 952754088 /nfs/dbraw/zinc/75/40/88/952754088.db2.gz IXSYZPDEUUWWLC-QFUCXCTJSA-N 2 1 359.514 1.433 20 30 FDEDMP CC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)C[C@]2(C)C1 ZINC001091735091 952754092 /nfs/dbraw/zinc/75/40/92/952754092.db2.gz IXSYZPDEUUWWLC-QFUCXCTJSA-N 2 1 359.514 1.433 20 30 FDEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001086880949 952911980 /nfs/dbraw/zinc/91/19/80/952911980.db2.gz WQDZFCZJPSMXHM-DBVUQKKJSA-N 2 1 370.497 1.653 20 30 FDEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3ccccc3C#N)C2)C1 ZINC001086880949 952911981 /nfs/dbraw/zinc/91/19/81/952911981.db2.gz WQDZFCZJPSMXHM-DBVUQKKJSA-N 2 1 370.497 1.653 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087005462 953064835 /nfs/dbraw/zinc/06/48/35/953064835.db2.gz DNRIPGCYLHAHQL-HYVNUMGLSA-N 2 1 365.909 1.398 20 30 FDEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087005462 953064838 /nfs/dbraw/zinc/06/48/38/953064838.db2.gz DNRIPGCYLHAHQL-HYVNUMGLSA-N 2 1 365.909 1.398 20 30 FDEDMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC001087100317 953270776 /nfs/dbraw/zinc/27/07/76/953270776.db2.gz PJCZIRBXFPXTSI-XUVXKRRUSA-N 2 1 370.497 1.463 20 30 FDEDMP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1nccn12 ZINC001092372766 955046168 /nfs/dbraw/zinc/04/61/68/955046168.db2.gz MYJJGAKVOXJZHX-GVDBMIGSSA-N 2 1 355.486 1.209 20 30 FDEDMP C#CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1nccn12 ZINC001092372766 955046175 /nfs/dbraw/zinc/04/61/75/955046175.db2.gz MYJJGAKVOXJZHX-GVDBMIGSSA-N 2 1 355.486 1.209 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1C ZINC001092689548 956196322 /nfs/dbraw/zinc/19/63/22/956196322.db2.gz LUZVWAWJQNAWOR-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1C ZINC001092689548 956196325 /nfs/dbraw/zinc/19/63/25/956196325.db2.gz LUZVWAWJQNAWOR-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1C ZINC001092689548 956196329 /nfs/dbraw/zinc/19/63/29/956196329.db2.gz LUZVWAWJQNAWOR-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCC2CCOCC2)C[C@H]1C ZINC001092689548 956196331 /nfs/dbraw/zinc/19/63/31/956196331.db2.gz LUZVWAWJQNAWOR-RLLQIKCJSA-N 2 1 361.530 1.585 20 30 FDEDMP C=C(Br)C[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133212 957617982 /nfs/dbraw/zinc/61/79/82/957617982.db2.gz WDAKNDIFUNQNPV-TZMCWYRMSA-N 2 1 356.308 1.675 20 30 FDEDMP C=C(Br)C[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133212 957617991 /nfs/dbraw/zinc/61/79/91/957617991.db2.gz WDAKNDIFUNQNPV-TZMCWYRMSA-N 2 1 356.308 1.675 20 30 FDEDMP COc1ccc(C#N)cc1C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001093193555 957751051 /nfs/dbraw/zinc/75/10/51/957751051.db2.gz JUMNWHGAEBBDSR-SZVBFZGTSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001093193555 957751057 /nfs/dbraw/zinc/75/10/57/957751057.db2.gz JUMNWHGAEBBDSR-SZVBFZGTSA-N 2 1 370.497 1.703 20 30 FDEDMP COc1ccc(C#N)cc1C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001093193555 957751065 /nfs/dbraw/zinc/75/10/65/957751065.db2.gz JUMNWHGAEBBDSR-SZVBFZGTSA-N 2 1 370.497 1.703 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001093691224 958554181 /nfs/dbraw/zinc/55/41/81/958554181.db2.gz NTJGTZVUENMQCE-CKEIUWERSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC001093691224 958554194 /nfs/dbraw/zinc/55/41/94/958554194.db2.gz NTJGTZVUENMQCE-CKEIUWERSA-N 2 1 362.499 1.134 20 30 FDEDMP C[C@H](CCCC#N)[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001172498746 961688610 /nfs/dbraw/zinc/68/86/10/961688610.db2.gz NPDLSKRGFNFWLT-QGZVFWFLSA-N 2 1 350.507 1.571 20 30 FDEDMP N#Cc1ccc(C(=O)N2CCC(n3c[nH+]cc3C[C@@H]([NH3+])CO)CC2)cc1 ZINC001173423698 962123519 /nfs/dbraw/zinc/12/35/19/962123519.db2.gz BIHRHORMWYKKNV-MRXNPFEDSA-N 2 1 353.426 1.094 20 30 FDEDMP C=C(C)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001185941652 964205564 /nfs/dbraw/zinc/20/55/64/964205564.db2.gz BGKMOHIJIVIULS-BPQIPLTHSA-N 2 1 360.506 1.448 20 30 FDEDMP C=C(C)C[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185941652 964205574 /nfs/dbraw/zinc/20/55/74/964205574.db2.gz BGKMOHIJIVIULS-BPQIPLTHSA-N 2 1 360.506 1.448 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562768 966396476 /nfs/dbraw/zinc/39/64/76/966396476.db2.gz RXCUWTACEHLGNV-RVKKMQEKSA-N 2 1 367.453 1.171 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562768 966396479 /nfs/dbraw/zinc/39/64/79/966396479.db2.gz RXCUWTACEHLGNV-RVKKMQEKSA-N 2 1 367.453 1.171 20 30 FDEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690489 966498379 /nfs/dbraw/zinc/49/83/79/966498379.db2.gz NGBHTAJXZGXRFH-DLBZAZTESA-N 2 1 362.518 1.086 20 30 FDEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188690489 966498385 /nfs/dbraw/zinc/49/83/85/966498385.db2.gz NGBHTAJXZGXRFH-DLBZAZTESA-N 2 1 362.518 1.086 20 30 FDEDMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CCOCC2)cn1 ZINC000863550626 973006334 /nfs/dbraw/zinc/00/63/34/973006334.db2.gz BZRFIPFAVSRDTE-KRWDZBQOSA-N 2 1 355.442 1.737 20 30 FDEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001199337401 974164548 /nfs/dbraw/zinc/16/45/48/974164548.db2.gz ROHAJOJFNVOPLZ-IAGOWNOFSA-N 2 1 365.474 1.099 20 30 FDEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001199337401 974164555 /nfs/dbraw/zinc/16/45/55/974164555.db2.gz ROHAJOJFNVOPLZ-IAGOWNOFSA-N 2 1 365.474 1.099 20 30 FDEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CCCO1 ZINC001201453626 975067315 /nfs/dbraw/zinc/06/73/15/975067315.db2.gz CSKPOIRSPLBTJH-HBMCJLEFSA-N 2 1 369.509 1.562 20 30 FDEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C#N)cn3)CC2)CC1 ZINC000848079676 976312384 /nfs/dbraw/zinc/31/23/84/976312384.db2.gz LLTCYJNOBGPAAZ-UHFFFAOYSA-N 2 1 355.486 1.766 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000849081900 977307260 /nfs/dbraw/zinc/30/72/60/977307260.db2.gz PQNYPYYEWFGVPR-KFWWJZLASA-N 2 1 364.494 1.344 20 30 FDEDMP CC(C)[N@@H+](C)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000849087070 977308022 /nfs/dbraw/zinc/30/80/22/977308022.db2.gz UIJVDBVNPHVTBL-OAHLLOKOSA-N 2 1 353.511 1.597 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2 ZINC001110734490 981694317 /nfs/dbraw/zinc/69/43/17/981694317.db2.gz RBEHKBXGFVYJEE-FPCVCCKLSA-N 2 1 350.507 1.129 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001110734490 981694321 /nfs/dbraw/zinc/69/43/21/981694321.db2.gz RBEHKBXGFVYJEE-FPCVCCKLSA-N 2 1 350.507 1.129 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110734490 981694329 /nfs/dbraw/zinc/69/43/29/981694329.db2.gz RBEHKBXGFVYJEE-FPCVCCKLSA-N 2 1 350.507 1.129 20 30 FDEDMP C=CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2 ZINC001110734490 981694335 /nfs/dbraw/zinc/69/43/35/981694335.db2.gz RBEHKBXGFVYJEE-FPCVCCKLSA-N 2 1 350.507 1.129 20 30 FDEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1([NH+]3CCOCC3)CCCCC1)C2 ZINC000884053976 982772413 /nfs/dbraw/zinc/77/24/13/982772413.db2.gz MPSNQNPGKYYHJJ-HFCFLWKCSA-N 2 1 360.502 1.277 20 30 FDEDMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884219896 982994210 /nfs/dbraw/zinc/99/42/10/982994210.db2.gz ADMRKSXHNNSDRZ-OHESCVLLSA-N 2 1 352.482 1.859 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884219896 982994212 /nfs/dbraw/zinc/99/42/12/982994212.db2.gz ADMRKSXHNNSDRZ-OHESCVLLSA-N 2 1 352.482 1.859 20 30 FDEDMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)cc1 ZINC000884219859 982994221 /nfs/dbraw/zinc/99/42/21/982994221.db2.gz ZEHPBYBLVMIPJP-BIWSTMPVSA-N 2 1 355.442 1.265 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000369403567 989050281 /nfs/dbraw/zinc/05/02/81/989050281.db2.gz VTDVQRXCUGMMSJ-BHIYHBOVSA-N 2 1 364.534 1.825 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000369758518 989149821 /nfs/dbraw/zinc/14/98/21/989149821.db2.gz YMPBGQJGBOKCSB-HXUWFJFHSA-N 2 1 355.482 1.491 20 30 FDEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000369758518 989149825 /nfs/dbraw/zinc/14/98/25/989149825.db2.gz YMPBGQJGBOKCSB-HXUWFJFHSA-N 2 1 355.482 1.491 20 30 FDEDMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)CC1 ZINC000363455793 989214837 /nfs/dbraw/zinc/21/48/37/989214837.db2.gz GRESSRZOFOGLLY-UXHICEINSA-N 2 1 372.513 1.257 20 30 FDEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000296494734 989241811 /nfs/dbraw/zinc/24/18/11/989241811.db2.gz CSKDSMXQBNNWCO-UHFFFAOYSA-N 2 1 372.513 1.914 20 30 FDEDMP C[C@H]1C[N@@H+](C[C@H](O)COc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000363667894 989383172 /nfs/dbraw/zinc/38/31/72/989383172.db2.gz AASIOEPKLSELPQ-PXNSSMCTSA-N 2 1 372.513 1.398 20 30 FDEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000876784796 992912772 /nfs/dbraw/zinc/91/27/72/992912772.db2.gz KEOQFMUXLYSUMZ-WBVHZDCISA-N 2 1 350.894 1.783 20 30 FDEDMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000469793043 993882061 /nfs/dbraw/zinc/88/20/61/993882061.db2.gz BIUTYHGJRPVFQT-PXNSSMCTSA-N 2 1 372.513 1.901 20 30 FDEDMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000469793043 993882066 /nfs/dbraw/zinc/88/20/66/993882066.db2.gz BIUTYHGJRPVFQT-PXNSSMCTSA-N 2 1 372.513 1.901 20 30 FDEDMP C[C@@H]1C[NH+](Cc2cc(C#N)cc(C[N@H+]3CC[C@H](O)[C@H](C)C3)c2)CC[C@@H]1O ZINC000878464231 993971446 /nfs/dbraw/zinc/97/14/46/993971446.db2.gz SABCKDBFRYJWQL-RFZJPIJTSA-N 2 1 357.498 1.964 20 30 FDEDMP CC1(C)C[NH+](Cc2cc(C#N)cc(C[N@H+]3C[C@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000878531331 994001427 /nfs/dbraw/zinc/00/14/27/994001427.db2.gz CRFZHMXZXXHEEZ-OALUTQOASA-N 2 1 357.498 1.964 20 30 FDEDMP CC1(C)C[NH+](Cc2cc(C#N)cc(C[N@H+]3C[C@@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000878531330 994001954 /nfs/dbraw/zinc/00/19/54/994001954.db2.gz CRFZHMXZXXHEEZ-KDURUIRLSA-N 2 1 357.498 1.964 20 30 FDEDMP CC1(C)C[N@H+](Cc2cc(C#N)cc(C[NH+]3C[C@@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000878531330 994001971 /nfs/dbraw/zinc/00/19/71/994001971.db2.gz CRFZHMXZXXHEEZ-KDURUIRLSA-N 2 1 357.498 1.964 20 30 FDEDMP CC1(C)C[N@@H+](Cc2cc(C#N)cc(C[NH+]3C[C@@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000878531330 994001982 /nfs/dbraw/zinc/00/19/82/994001982.db2.gz CRFZHMXZXXHEEZ-KDURUIRLSA-N 2 1 357.498 1.964 20 30 FDEDMP C[C@@H]1[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)CC[N@H+]1C ZINC000925324823 995494845 /nfs/dbraw/zinc/49/48/45/995494845.db2.gz ZJTSOFRHWZZJPO-VQIMIIECSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@@H]1[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000925324823 995494850 /nfs/dbraw/zinc/49/48/50/995494850.db2.gz ZJTSOFRHWZZJPO-VQIMIIECSA-N 2 1 355.486 1.868 20 30 FDEDMP C[C@@H]1[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC[NH+]1C ZINC000925324823 995494854 /nfs/dbraw/zinc/49/48/54/995494854.db2.gz ZJTSOFRHWZZJPO-VQIMIIECSA-N 2 1 355.486 1.868 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000264073010 997395657 /nfs/dbraw/zinc/39/56/57/997395657.db2.gz DRJMSHRBRZPZJL-OALUTQOASA-N 2 1 360.502 1.781 20 30 FDEDMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264076370 997396447 /nfs/dbraw/zinc/39/64/47/997396447.db2.gz FUSGPESKVXFFPW-HDICACEKSA-N 2 1 373.549 1.671 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NCCn1cc[nH+]c1C)C(C)C ZINC000284028004 999773437 /nfs/dbraw/zinc/77/34/37/999773437.db2.gz LLAPOVBRNJWAPA-KRWDZBQOSA-N 2 1 361.490 1.123 20 30 FDEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC000284210924 999780341 /nfs/dbraw/zinc/78/03/41/999780341.db2.gz WSHRFVPNVVVTCU-ROUUACIJSA-N 2 1 364.534 1.211 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1c(F)cccc1N1CCCC1 ZINC000284992242 999891562 /nfs/dbraw/zinc/89/15/62/999891562.db2.gz HMGVYURDWDABDO-UHFFFAOYSA-N 2 1 363.481 1.553 20 30 FDEDMP C=CCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111022120 1004711186 /nfs/dbraw/zinc/71/11/86/1004711186.db2.gz KMIKZUOYJGEWGS-RWQQGDIJSA-N 2 1 358.486 1.678 20 30 FDEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCn3c(C)[nH+]cc3C1)C2 ZINC001111022120 1004711193 /nfs/dbraw/zinc/71/11/93/1004711193.db2.gz KMIKZUOYJGEWGS-RWQQGDIJSA-N 2 1 358.486 1.678 20 30 FDEDMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000305044475 1008606326 /nfs/dbraw/zinc/60/63/26/1008606326.db2.gz XCXFFGUHLITEQJ-MRXNPFEDSA-N 2 1 367.538 1.832 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000557733218 544337969 /nfs/dbraw/zinc/33/79/69/544337969.db2.gz QSUAMDZRWNLILW-AYHJJNSGSA-N 2 1 362.518 1.275 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000557730804 544337306 /nfs/dbraw/zinc/33/73/06/544337306.db2.gz DVWJOVVHODJPOV-MOPGFXCFSA-N 2 1 370.497 1.315 20 30 FDEDMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)CCN1C1CC[NH+](C)CC1 ZINC000374258251 261101262 /nfs/dbraw/zinc/10/12/62/261101262.db2.gz JKDIINNZEPDPHS-QGZVFWFLSA-N 2 1 369.513 1.987 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158532413 524485272 /nfs/dbraw/zinc/48/52/72/524485272.db2.gz NOSFGZRLWVNVOW-MAUKXSAKSA-N 2 1 369.517 1.969 20 30 FDEDMP C[NH+]=C(NCc1ccc(-n2ccnc2C)nc1)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000158532560 524486033 /nfs/dbraw/zinc/48/60/33/524486033.db2.gz NOSFGZRLWVNVOW-YJBOKZPZSA-N 2 1 369.517 1.969 20 30 FDEDMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)Nc3cccc(C#N)c3)C2)CC1 ZINC000155662334 525937625 /nfs/dbraw/zinc/93/76/25/525937625.db2.gz CAPJZHGQAXGENM-IBGZPJMESA-N 2 1 355.486 1.599 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000185685952 536215256 /nfs/dbraw/zinc/21/52/56/536215256.db2.gz RBDNYNSAYLMLRO-KRWDZBQOSA-N 2 1 351.539 1.352 20 30 FDEDMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424127380 538243019 /nfs/dbraw/zinc/24/30/19/538243019.db2.gz CTSYARPLVZOQOT-FCEWJHQRSA-N 2 1 358.486 1.933 20 30 FDEDMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000483212144 538690095 /nfs/dbraw/zinc/69/00/95/538690095.db2.gz QZVOAHWDGWMRIG-QGZVFWFLSA-N 2 1 368.437 1.524 20 30 FDEDMP C(#CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)C[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459745567 538694599 /nfs/dbraw/zinc/69/45/99/538694599.db2.gz BXBLYDXSYNBQPO-YRPNKDGESA-N 2 1 356.510 1.992 20 30 FDEDMP C(#CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C[NH+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459745567 538694595 /nfs/dbraw/zinc/69/45/95/538694595.db2.gz BXBLYDXSYNBQPO-YRPNKDGESA-N 2 1 356.510 1.992 20 30 FDEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000561451043 545856775 /nfs/dbraw/zinc/85/67/75/545856775.db2.gz ZYZZKWVROKOQSJ-NVXWUHKLSA-N 2 1 350.507 1.084 20 30 FDEDMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CNc4c(C#N)cnn4C3)CC2)C[C@H](C)O1 ZINC000568090194 548394175 /nfs/dbraw/zinc/39/41/75/548394175.db2.gz WYLRBRMFOYENGN-JZXOWHBKSA-N 2 1 372.517 1.618 20 30 FDEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000577227538 550634636 /nfs/dbraw/zinc/63/46/36/550634636.db2.gz KMCWQUBHNQTSDS-GOSISDBHSA-N 2 1 364.534 1.380 20 30 FDEDMP C[C@@H]1COCC[N@@H+]1C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930617 551033696 /nfs/dbraw/zinc/03/36/96/551033696.db2.gz QSKDFFNUTXVANL-VQIMIIECSA-N 2 1 359.470 1.483 20 30 FDEDMP C[C@@H]1COCC[N@H+]1C1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000580930617 551033698 /nfs/dbraw/zinc/03/36/98/551033698.db2.gz QSKDFFNUTXVANL-VQIMIIECSA-N 2 1 359.470 1.483 20 30 FDEDMP CN1CC[N@@H+](CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439716 552310815 /nfs/dbraw/zinc/31/08/15/552310815.db2.gz UNCOPWORDADFLJ-UXHICEINSA-N 2 1 371.529 1.893 20 30 FDEDMP C[N@@H+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439716 552310817 /nfs/dbraw/zinc/31/08/17/552310817.db2.gz UNCOPWORDADFLJ-UXHICEINSA-N 2 1 371.529 1.893 20 30 FDEDMP C[N@H+]1CCN(CCCNC(=O)[C@H]([NH3+])CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594439716 552310819 /nfs/dbraw/zinc/31/08/19/552310819.db2.gz UNCOPWORDADFLJ-UXHICEINSA-N 2 1 371.529 1.893 20 30 FDEDMP N#Cc1ccc(N[C@H]2CC[N@H+](C3CC3)C2)nc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000596091100 552654281 /nfs/dbraw/zinc/65/42/81/552654281.db2.gz HVZQMYXOMJGMSW-HOTGVXAUSA-N 2 1 352.486 2.250 20 30 FDEDMP N#Cc1ccc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596091100 552654282 /nfs/dbraw/zinc/65/42/82/552654282.db2.gz HVZQMYXOMJGMSW-HOTGVXAUSA-N 2 1 352.486 2.250 20 30 FDEDMP N#Cc1ccc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000596091100 552654284 /nfs/dbraw/zinc/65/42/84/552654284.db2.gz HVZQMYXOMJGMSW-HOTGVXAUSA-N 2 1 352.486 2.250 20 30 FDEDMP C=C(C)C[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(=O)OC ZINC000601781810 553474641 /nfs/dbraw/zinc/47/46/41/553474641.db2.gz MDMVQPBAQZJNNT-GOSISDBHSA-N 2 1 365.518 1.807 20 30 FDEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2cccc(C#N)c2)C1 ZINC000611386260 554630660 /nfs/dbraw/zinc/63/06/60/554630660.db2.gz HJCPCYZHUDMISM-VQIMIIECSA-N 2 1 358.486 1.682 20 30 FDEDMP C[NH+]=C(NCC1(N(C)C)CCOCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000088481413 671489138 /nfs/dbraw/zinc/48/91/38/671489138.db2.gz CWBXMRVFIJTSOP-KRWDZBQOSA-N 2 1 351.539 1.233 20 30 FDEDMP CCCC[N@@H+](C)CCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000089120867 671491929 /nfs/dbraw/zinc/49/19/29/671491929.db2.gz GNDWKVJEMMJRGQ-OAHLLOKOSA-N 2 1 353.511 1.599 20 30 FDEDMP C[NH+]=C(NCc1sc(C)nc1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261672045 672648158 /nfs/dbraw/zinc/64/81/58/672648158.db2.gz GWKCXQCKLNALRD-OAHLLOKOSA-N 2 1 351.520 1.489 20 30 FDEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262793940 672850429 /nfs/dbraw/zinc/85/04/29/672850429.db2.gz OVCSBZGABALWAL-FUHWJXTLSA-N 3 1 353.580 1.417 20 30 FDEDMP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262811288 672851226 /nfs/dbraw/zinc/85/12/26/672851226.db2.gz RCHKVHBBTRNORD-XHSDSOJGSA-N 2 1 351.539 1.276 20 30 FDEDMP C[NH+]=C(NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262811288 672851231 /nfs/dbraw/zinc/85/12/31/672851231.db2.gz RCHKVHBBTRNORD-XHSDSOJGSA-N 2 1 351.539 1.276 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(F)cc1C(F)(F)F ZINC000264112170 672901633 /nfs/dbraw/zinc/90/16/33/672901633.db2.gz PFFSNNWPECTKBT-UHFFFAOYSA-N 2 1 362.371 1.971 20 30 FDEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNc1nccc(C(F)(F)F)n1 ZINC000267442231 673304515 /nfs/dbraw/zinc/30/45/15/673304515.db2.gz PFWRKBDNSQUHCH-LLVKDONJSA-N 2 1 359.400 1.296 20 30 FDEDMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=[NH2+])N2CCCCC2)CC1 ZINC000303879962 676543505 /nfs/dbraw/zinc/54/35/05/676543505.db2.gz JWNKWKOLWVXILA-UHFFFAOYSA-N 2 1 353.511 1.730 20 30 FDEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(c2ccccc2Cl)CC1 ZINC000305766090 676545322 /nfs/dbraw/zinc/54/53/22/676545322.db2.gz ZSPAKXFZEPRFRH-UHFFFAOYSA-N 2 1 350.894 1.998 20 30 FDEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000328220553 676598087 /nfs/dbraw/zinc/59/80/87/676598087.db2.gz ZSOSLWCTCIMPDN-HNNXBMFYSA-N 2 1 355.276 1.734 20 30 FDEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000328220553 676598089 /nfs/dbraw/zinc/59/80/89/676598089.db2.gz ZSOSLWCTCIMPDN-HNNXBMFYSA-N 2 1 355.276 1.734 20 30 FDEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000329223901 676626457 /nfs/dbraw/zinc/62/64/57/676626457.db2.gz YTMHDQSKONNJEC-DJSILETISA-N 2 1 350.507 1.899 20 30 FDEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000329223901 676626460 /nfs/dbraw/zinc/62/64/60/676626460.db2.gz YTMHDQSKONNJEC-DJSILETISA-N 2 1 350.507 1.899 20 30 FDEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000329223901 676626463 /nfs/dbraw/zinc/62/64/63/676626463.db2.gz YTMHDQSKONNJEC-DJSILETISA-N 2 1 350.507 1.899 20 30 FDEDMP