smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104288346 733739420 /nfs/dbraw/zinc/73/94/20/733739420.db2.gz WBZAKMJOSBXTTH-HUUCEWRRSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCN(C)C3=O)C2)CC1 ZINC000970792644 733943537 /nfs/dbraw/zinc/94/35/37/733943537.db2.gz QYOUGDOPWZKVIT-IAGOWNOFSA-N 2 0 346.475 0.143 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001211278147 734245603 /nfs/dbraw/zinc/24/56/03/734245603.db2.gz PYGPVMXUNLQYCO-CVEARBPZSA-N 2 0 336.480 0.694 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001023761928 737326176 /nfs/dbraw/zinc/32/61/76/737326176.db2.gz MVLBARDEDFUJEW-GJZGRUSLSA-N 2 0 334.464 0.034 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001104600141 739179574 /nfs/dbraw/zinc/17/95/74/739179574.db2.gz XCENJAIKTSMZRI-HZPDHXFCSA-N 2 0 338.496 0.705 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CC(=C)C)C[C@@H]32)CC1 ZINC001083283570 739741875 /nfs/dbraw/zinc/74/18/75/739741875.db2.gz IRUAGUXLKUHDNG-ZWKOTPCHSA-N 2 0 331.460 0.819 20 30 ECEDRP C#CCC[N@H+]1C[C@H]2OCCN(C(=O)C3CC[NH+](CC#C)CC3)[C@H]2C1 ZINC001083283641 739743189 /nfs/dbraw/zinc/74/31/89/739743189.db2.gz MANOARMNSWWXRI-ZWKOTPCHSA-N 2 0 329.444 0.267 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cn(C)nc2C)C1 ZINC001026892833 742036267 /nfs/dbraw/zinc/03/62/67/742036267.db2.gz CSDDGWFLYHIUET-AEFFLSMTSA-N 2 0 343.475 0.764 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001026893947 742039857 /nfs/dbraw/zinc/03/98/57/742039857.db2.gz ROCMRSRNGUQDOW-WBVHZDCISA-N 2 0 329.448 0.456 20 30 ECEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261951070 743090346 /nfs/dbraw/zinc/09/03/46/743090346.db2.gz HJVAZEYBEAZMEI-IUODEOHRSA-N 3 0 333.484 0.634 20 30 ECEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000261621704 751833244 /nfs/dbraw/zinc/83/32/44/751833244.db2.gz BZFXSVVVDLKLMJ-QZTJIDSGSA-N 3 0 348.539 0.512 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC000999846725 744939250 /nfs/dbraw/zinc/93/92/50/744939250.db2.gz FWIBNLPEIWSSOZ-OAHLLOKOSA-N 2 0 346.475 0.143 20 30 ECEDRP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999960086 745101673 /nfs/dbraw/zinc/10/16/73/745101673.db2.gz BMGLPOZSFDANOD-HOTGVXAUSA-N 2 0 332.452 0.811 20 30 ECEDRP CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262293293 746927342 /nfs/dbraw/zinc/92/73/42/746927342.db2.gz LSCFOXZKIFBVGR-CVEARBPZSA-N 2 0 349.479 0.145 20 30 ECEDRP CCS(=O)(=O)NCCNC(=[NH+]C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262471583 747651916 /nfs/dbraw/zinc/65/19/16/747651916.db2.gz PBZMKIQPNFEYAF-CQSZACIVSA-N 2 0 345.513 0.061 20 30 ECEDRP C[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000303908244 748177539 /nfs/dbraw/zinc/17/75/39/748177539.db2.gz XJILRHSWMVZYTM-JKSUJKDBSA-N 2 0 325.501 0.733 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001003973867 749096626 /nfs/dbraw/zinc/09/66/26/749096626.db2.gz GQXZFOXEMWEJLA-WBVHZDCISA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001003984589 749107215 /nfs/dbraw/zinc/10/72/15/749107215.db2.gz GCFIYEAWKWINIW-MRXNPFEDSA-N 2 0 346.475 0.450 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)[C@H](CC)C(N)=O)CC2)CC1 ZINC000985804494 749141315 /nfs/dbraw/zinc/14/13/15/749141315.db2.gz QJEXPYLQWSRWDZ-QGZVFWFLSA-N 2 0 348.491 0.518 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)[C@@H](CC)C(N)=O)CC2)CC1 ZINC000985804492 749141384 /nfs/dbraw/zinc/14/13/84/749141384.db2.gz QJEXPYLQWSRWDZ-KRWDZBQOSA-N 2 0 348.491 0.518 20 30 ECEDRP C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001029914103 749586505 /nfs/dbraw/zinc/58/65/05/749586505.db2.gz QWPALEQHKCSBNJ-CVEARBPZSA-N 2 0 345.447 0.450 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001005184246 750340899 /nfs/dbraw/zinc/34/08/99/750340899.db2.gz LKESHSAYTWFOGK-DLBZAZTESA-N 2 0 348.491 0.790 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)[C@@H]2C)CC1 ZINC000987574684 750977159 /nfs/dbraw/zinc/97/71/59/750977159.db2.gz GPBUCODDAMLUJP-DOTOQJQBSA-N 2 0 346.475 0.143 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001020934486 752360384 /nfs/dbraw/zinc/36/03/84/752360384.db2.gz UBRRXPMYLQTTJF-KKUMJFAQSA-N 2 0 332.448 0.106 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H]2CCN(C)C2=O)CC1 ZINC001028334034 752412826 /nfs/dbraw/zinc/41/28/26/752412826.db2.gz VCLMCWLYPKNFBQ-DLBZAZTESA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2CCCNC2=O)CC1 ZINC001028333813 752413176 /nfs/dbraw/zinc/41/31/76/752413176.db2.gz RHQRJYKTFDJKOD-IRXDYDNUSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](CC)C(N)=O)CC1 ZINC001028334053 752413681 /nfs/dbraw/zinc/41/36/81/752413681.db2.gz VLDWYHGZRGAYMF-HOTGVXAUSA-N 2 0 334.464 0.176 20 30 ECEDRP COCC#CC[NH2+]CC1(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001167916195 752475599 /nfs/dbraw/zinc/47/55/99/752475599.db2.gz KNDMLNILIAKDSI-IBGZPJMESA-N 2 0 333.476 0.998 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC001021089309 752529111 /nfs/dbraw/zinc/52/91/11/752529111.db2.gz DFPLIVPKRKJYLH-IYARVYRRSA-N 2 0 343.475 0.545 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCc3ccnn3C)C2)CC1 ZINC001021090577 752531782 /nfs/dbraw/zinc/53/17/82/752531782.db2.gz ZODREAPUTXGTEH-QAQDUYKDSA-N 2 0 343.475 0.545 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000261712164 752698088 /nfs/dbraw/zinc/69/80/88/752698088.db2.gz VKTJSTUTRYVFQD-OAGGEKHMSA-N 2 0 338.496 0.943 20 30 ECEDRP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372621 753671976 /nfs/dbraw/zinc/67/19/76/753671976.db2.gz PWWOZQZDURFJHS-CQSZACIVSA-N 2 0 332.452 0.669 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCC(OCC2CC2)CC1 ZINC000261842817 754503155 /nfs/dbraw/zinc/50/31/55/754503155.db2.gz WUPUEKMYYFYMIG-INIZCTEOSA-N 2 0 335.496 0.453 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168345315 754763288 /nfs/dbraw/zinc/76/32/88/754763288.db2.gz PDZSVBPUNFCFQB-HNNXBMFYSA-N 2 0 338.496 0.893 20 30 ECEDRP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028710542 754787359 /nfs/dbraw/zinc/78/73/59/754787359.db2.gz WOIFUNRNVVXGMC-BBWFWOEESA-N 2 0 337.464 0.490 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001076917667 757590340 /nfs/dbraw/zinc/59/03/40/757590340.db2.gz QIQNPFBHDHDJDJ-DOTOQJQBSA-N 2 0 348.491 0.294 20 30 ECEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014071 757941101 /nfs/dbraw/zinc/94/11/01/757941101.db2.gz AXKFRTVCYPZYTM-HZPDHXFCSA-N 2 0 335.452 0.186 20 30 ECEDRP C=CCCC[NH+]1CC(n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001107229106 757990347 /nfs/dbraw/zinc/99/03/47/757990347.db2.gz CHBAXVZJTJXGSS-UHFFFAOYSA-N 2 0 344.463 0.813 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3CC(N)=O)CC1 ZINC001048589981 760766605 /nfs/dbraw/zinc/76/66/05/760766605.db2.gz GKPUTONUIODCQL-ACHSLPGTSA-N 2 0 346.475 0.176 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001014464647 762720779 /nfs/dbraw/zinc/72/07/79/762720779.db2.gz UZKQDHBLNIBNAT-KURKYZTESA-N 2 0 333.476 0.947 20 30 ECEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001052036684 763650393 /nfs/dbraw/zinc/65/03/93/763650393.db2.gz SJWNHHSLJRLWEN-QGZVFWFLSA-N 2 0 332.492 0.713 20 30 ECEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001047473743 764444976 /nfs/dbraw/zinc/44/49/76/764444976.db2.gz WRTQHSSHEOEKGK-OALUTQOASA-N 2 0 343.471 0.931 20 30 ECEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991937684 764800411 /nfs/dbraw/zinc/80/04/11/764800411.db2.gz WPDVFZHWYMHMDM-XGVWBKLPSA-N 2 0 343.471 0.986 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3ccnn3C)[C@@H]2C)CC1 ZINC001089059915 764916855 /nfs/dbraw/zinc/91/68/55/764916855.db2.gz IOWOPTHWPUCYHW-QAPCUYQASA-N 2 0 343.475 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)CC2)CC1 ZINC001052954562 765410849 /nfs/dbraw/zinc/41/08/49/765410849.db2.gz OXDISGJRXMETKL-ZBFHGGJFSA-N 2 0 334.464 0.176 20 30 ECEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)CC2)C1 ZINC001046034708 766716594 /nfs/dbraw/zinc/71/65/94/766716594.db2.gz XZRGOYAUBUZYSE-MSOLQXFVSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001046035028 766717254 /nfs/dbraw/zinc/71/72/54/766717254.db2.gz BJKRUGZIVHCCFY-GOSISDBHSA-N 2 0 332.492 0.713 20 30 ECEDRP CC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741504 766829215 /nfs/dbraw/zinc/82/92/15/766829215.db2.gz YEPURBYMIDPPOF-ZEVUXNIQSA-N 2 0 343.471 0.844 20 30 ECEDRP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741501 766829254 /nfs/dbraw/zinc/82/92/54/766829254.db2.gz YEPURBYMIDPPOF-ASPXRTSYSA-N 2 0 343.471 0.844 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046075918 766900459 /nfs/dbraw/zinc/90/04/59/766900459.db2.gz IHNNSQLLQFUYIZ-MSOLQXFVSA-N 2 0 332.492 0.570 20 30 ECEDRP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001055602155 769233991 /nfs/dbraw/zinc/23/39/91/769233991.db2.gz RIJMQELSNKTSLS-HUUCEWRRSA-N 2 0 349.479 0.185 20 30 ECEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001055631792 769303918 /nfs/dbraw/zinc/30/39/18/769303918.db2.gz KQNXJSCYOOOCDU-HUUCEWRRSA-N 2 0 349.479 0.185 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106882327 770530246 /nfs/dbraw/zinc/53/02/46/770530246.db2.gz RRNAPJPZRZGRQN-HUUCEWRRSA-N 2 0 334.464 0.069 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC001019814334 771829132 /nfs/dbraw/zinc/82/91/32/771829132.db2.gz ZLNJPISNLZUHRX-AEFFLSMTSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001020250695 772350612 /nfs/dbraw/zinc/35/06/12/772350612.db2.gz LMLXUCGERRIVDV-VQHPVUNQSA-N 2 0 346.475 0.237 20 30 ECEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076348 790522743 /nfs/dbraw/zinc/52/27/43/790522743.db2.gz MOIRAIIMKBACAK-OAGGEKHMSA-N 2 0 332.452 0.538 20 30 ECEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259890 780931841 /nfs/dbraw/zinc/93/18/41/780931841.db2.gz UAFKEQITGMXBLR-OKZBNKHCSA-N 2 0 345.487 0.901 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206172 783655614 /nfs/dbraw/zinc/65/56/14/783655614.db2.gz KBRPFLDKWZQOCR-OAGGEKHMSA-N 2 0 332.452 0.680 20 30 ECEDRP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001070422736 784035508 /nfs/dbraw/zinc/03/55/08/784035508.db2.gz HKTZPXXWCACVIF-HNNXBMFYSA-N 2 0 329.448 0.790 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070475294 784155674 /nfs/dbraw/zinc/15/56/74/784155674.db2.gz MHXKZGBNLNUOTP-UAGQMJEPSA-N 2 0 331.464 0.974 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070505998 784203442 /nfs/dbraw/zinc/20/34/42/784203442.db2.gz SMYKFZBNRNXKLJ-UAGQMJEPSA-N 2 0 331.464 0.974 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070657765 784510911 /nfs/dbraw/zinc/51/09/11/784510911.db2.gz JOZJUFICMVWFKF-INMHGKMJSA-N 2 0 331.464 0.524 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070717876 784591798 /nfs/dbraw/zinc/59/17/98/784591798.db2.gz ACWRFBGSXPSPAZ-ARFHVFGLSA-N 2 0 331.464 0.832 20 30 ECEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)COC1CC[NH+](C)CC1)C[C@@H](C)O2 ZINC001071225679 784782147 /nfs/dbraw/zinc/78/21/47/784782147.db2.gz NUDIITXRIWCNRS-APWZRJJASA-N 2 0 349.475 0.422 20 30 ECEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603928 786755670 /nfs/dbraw/zinc/75/56/70/786755670.db2.gz SBLZFPMYXDMWPZ-MRXNPFEDSA-N 2 0 347.463 0.289 20 30 ECEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073710376 787021030 /nfs/dbraw/zinc/02/10/30/787021030.db2.gz YSRARLIDGWKDKD-GARNVTTQSA-N 2 0 335.448 0.243 20 30 ECEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741961 787098599 /nfs/dbraw/zinc/09/85/99/787098599.db2.gz ZLJSZOYMNKOCBY-IAGOWNOFSA-N 2 0 337.464 0.326 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001074852959 788439088 /nfs/dbraw/zinc/43/90/88/788439088.db2.gz HIUYXWYOXXJBEO-XIRDDKMYSA-N 2 0 348.491 0.694 20 30 ECEDRP C=CCN1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069965806 790252646 /nfs/dbraw/zinc/25/26/46/790252646.db2.gz HPYCLULBBYTKLY-IKGGRYGDSA-N 2 0 346.479 0.926 20 30 ECEDRP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267565496 837781796 /nfs/dbraw/zinc/78/17/96/837781796.db2.gz NYQQJOITFFRELM-CVEARBPZSA-N 2 0 336.480 0.459 20 30 ECEDRP COCC#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001266370888 835784197 /nfs/dbraw/zinc/78/41/97/835784197.db2.gz NGVDKVSOGHAIED-MSOLQXFVSA-N 2 0 345.487 0.949 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266630352 836066180 /nfs/dbraw/zinc/06/61/80/836066180.db2.gz LWXCIZJKBGINKX-XIRDDKMYSA-N 2 0 348.491 0.482 20 30 ECEDRP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266752519 836245711 /nfs/dbraw/zinc/24/57/11/836245711.db2.gz SXNMTPOTPWYQJH-OAHLLOKOSA-N 2 0 336.480 0.601 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266951181 836515912 /nfs/dbraw/zinc/51/59/12/836515912.db2.gz ZXPNQWXUZRWXEM-CHWSQXEVSA-N 2 0 341.415 0.489 20 30 ECEDRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001267069926 836714979 /nfs/dbraw/zinc/71/49/79/836714979.db2.gz GISUJIMXKCPDDY-NVXWUHKLSA-N 2 0 349.479 0.185 20 30 ECEDRP C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267216517 837007071 /nfs/dbraw/zinc/00/70/71/837007071.db2.gz OOHCRNOVJKVPJJ-HNNXBMFYSA-N 2 0 348.491 0.601 20 30 ECEDRP C=CCN1CC[C@@H](N(CC)CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267245826 837060713 /nfs/dbraw/zinc/06/07/13/837060713.db2.gz UTBRXOZDGFQDOX-MRXNPFEDSA-N 2 0 348.491 0.840 20 30 ECEDRP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274238 837116560 /nfs/dbraw/zinc/11/65/60/837116560.db2.gz MELYDFYXHSRBBI-HZPDHXFCSA-N 2 0 336.480 0.696 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1c(C)nnn1CC ZINC001267989605 838934499 /nfs/dbraw/zinc/93/44/99/838934499.db2.gz MXPHVSMEOCFQOJ-HOCLYGCPSA-N 2 0 346.479 0.546 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2cnn(CC)n2)CC1 ZINC001268015912 838978958 /nfs/dbraw/zinc/97/89/58/838978958.db2.gz VWYOVKBFQDTRLX-HNNXBMFYSA-N 2 0 346.479 0.485 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCCC2)C1=O ZINC001268033287 839080838 /nfs/dbraw/zinc/08/08/38/839080838.db2.gz LDDZNENXQYMKLW-HOTGVXAUSA-N 2 0 348.491 0.886 20 30 ECEDRP C#CCN1CCN(C(=O)CN(C)CCOCc2ccccc2)CC1 ZINC000154693550 436783991 /nfs/dbraw/zinc/78/39/91/436783991.db2.gz LDSZZCOCHWLMTP-UHFFFAOYSA-N 2 0 329.444 0.912 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(N2CCOCC2)n1 ZINC000274808766 436876235 /nfs/dbraw/zinc/87/62/35/436876235.db2.gz UYYWERXOLQZOLM-MRXNPFEDSA-N 2 0 346.479 0.807 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc2C1 ZINC000264249794 437018236 /nfs/dbraw/zinc/01/82/36/437018236.db2.gz GTSMVQFXOMFXRI-QGZVFWFLSA-N 2 0 343.475 0.960 20 30 ECEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000304748158 437160728 /nfs/dbraw/zinc/16/07/28/437160728.db2.gz GXIUQPSTSPYZNY-ZDUSSCGKSA-N 2 0 325.457 0.853 20 30 ECEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)cc1OC ZINC000178991130 437247265 /nfs/dbraw/zinc/24/72/65/437247265.db2.gz QAGUMQCWHMZXJL-OAHLLOKOSA-N 2 0 347.463 0.150 20 30 ECEDRP CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000330634734 437574629 /nfs/dbraw/zinc/57/46/29/437574629.db2.gz CBSLVNQMXSPQSG-GOSISDBHSA-N 2 0 349.523 0.952 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340478163 437657198 /nfs/dbraw/zinc/65/71/98/437657198.db2.gz AENGIXGRRBTQCH-CVEARBPZSA-N 2 0 334.464 0.496 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000355857789 437735453 /nfs/dbraw/zinc/73/54/53/437735453.db2.gz AXWGJFAWEXSPMO-UHFFFAOYSA-N 2 0 336.480 0.601 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000340831184 437748965 /nfs/dbraw/zinc/74/89/65/437748965.db2.gz SYUKZGNKBPDORA-IAGOWNOFSA-N 2 0 348.491 0.886 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000419727548 438369002 /nfs/dbraw/zinc/36/90/02/438369002.db2.gz LQXMTGNBDAVEBI-ZBFHGGJFSA-N 2 0 336.480 0.729 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419737390 438369872 /nfs/dbraw/zinc/36/98/72/438369872.db2.gz XYGRQFQASXRPAG-ZBFHGGJFSA-N 2 0 336.480 0.871 20 30 ECEDRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)CC1(C#N)CC1 ZINC000359685359 438479806 /nfs/dbraw/zinc/47/98/06/438479806.db2.gz HEYAAGHGXMAATO-UHFFFAOYSA-N 2 0 330.498 0.825 20 30 ECEDRP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000451598704 438700242 /nfs/dbraw/zinc/70/02/42/438700242.db2.gz LZFPWHZHJIDDOR-XHSDSOJGSA-N 2 0 325.453 0.393 20 30 ECEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000563137669 438860640 /nfs/dbraw/zinc/86/06/40/438860640.db2.gz HMNALKLUHLHNLB-RBUKOAKNSA-N 2 0 346.475 0.202 20 30 ECEDRP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000518172000 438988760 /nfs/dbraw/zinc/98/87/60/438988760.db2.gz LPGPGOIECNMUQW-RBUKOAKNSA-N 2 0 346.475 0.549 20 30 ECEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000569333059 439323775 /nfs/dbraw/zinc/32/37/75/439323775.db2.gz PGDAOPMJXDUTNS-WMZOPIPTSA-N 2 0 346.475 0.718 20 30 ECEDRP C#CCNC(=O)CC[N@@H+](C)[C@H]1CCC[NH+](CCC(=O)NCC#C)CC1 ZINC000491425577 439380170 /nfs/dbraw/zinc/38/01/70/439380170.db2.gz ATLGTNZLVUEMGL-KRWDZBQOSA-N 2 0 346.475 0.052 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735981 439455524 /nfs/dbraw/zinc/45/55/24/439455524.db2.gz CHQLYRVVWYQMIB-AJNGGQMLSA-N 2 0 338.452 0.605 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000491776491 439448436 /nfs/dbraw/zinc/44/84/36/439448436.db2.gz YGLXOFIAMKMTHN-UHFFFAOYSA-N 2 0 328.416 0.342 20 30 ECEDRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594435899 439559892 /nfs/dbraw/zinc/55/98/92/439559892.db2.gz AUROSPMDENBEMQ-OAHLLOKOSA-N 2 0 337.468 0.410 20 30 ECEDRP N#Cc1ccccc1OC[C@@H](O)CNC[C@H](O)C[NH+]1CCCCC1 ZINC000600739143 439697660 /nfs/dbraw/zinc/69/76/60/439697660.db2.gz PZBWSSPJPLMLSW-IRXDYDNUSA-N 2 0 333.432 0.734 20 30 ECEDRP C=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000620748487 546451362 /nfs/dbraw/zinc/45/13/62/546451362.db2.gz SJDFWEWHIQNOJM-HOTGVXAUSA-N 2 0 340.512 0.947 20 30 ECEDRP C=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000620748489 546451374 /nfs/dbraw/zinc/45/13/74/546451374.db2.gz SJDFWEWHIQNOJM-IYBDPMFKSA-N 2 0 340.512 0.947 20 30 ECEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000844195466 589102366 /nfs/dbraw/zinc/10/23/66/589102366.db2.gz UJSHFRCNPCZKLS-DOTOQJQBSA-N 2 0 327.432 0.426 20 30 ECEDRP C[NH+](C)C[C@@H]1CN(C(=O)CNc2ccc(C#N)cn2)C[C@H]1C[NH+](C)C ZINC000870022623 589990064 /nfs/dbraw/zinc/99/00/64/589990064.db2.gz VKOYUUBMBXERSD-HZPDHXFCSA-N 2 0 344.463 0.563 20 30 ECEDRP C#CCN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000910886358 609774028 /nfs/dbraw/zinc/77/40/28/609774028.db2.gz UGTZQSGILZEGIN-INIZCTEOSA-N 2 0 334.464 0.095 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911236373 609829862 /nfs/dbraw/zinc/82/98/62/609829862.db2.gz QBVFAVLFNVWCIM-DNVCBOLYSA-N 2 0 348.491 0.873 20 30 ECEDRP COCC[NH+]=C(NC[C@@H](C)C[NH+]1CCN(C)CC1)NC(C)(C)C ZINC000912505638 609962737 /nfs/dbraw/zinc/96/27/37/609962737.db2.gz BLRNODHZQNQWRN-OAHLLOKOSA-N 2 0 327.517 0.850 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000941464906 610333798 /nfs/dbraw/zinc/33/37/98/610333798.db2.gz BVFHTULZCSCTQP-IRXDYDNUSA-N 2 0 348.491 0.485 20 30 ECEDRP C#CCN(C(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000929565173 611765290 /nfs/dbraw/zinc/76/52/90/611765290.db2.gz QEIQAJLTSFNOSM-MRXNPFEDSA-N 2 0 348.491 0.391 20 30 ECEDRP CC#CCN1CCOC2(CCN(C(=O)CCN3CCOCC3)CC2)C1 ZINC000949496091 612006622 /nfs/dbraw/zinc/00/66/22/612006622.db2.gz QOQNMVSHWWWGOY-UHFFFAOYSA-N 2 0 349.475 0.425 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2CC2CCOCC2)CC1 ZINC001039042900 731975481 /nfs/dbraw/zinc/97/54/81/731975481.db2.gz ZOLCQHCFSSHIHB-SFHVURJKSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000973105137 738750322 /nfs/dbraw/zinc/75/03/22/738750322.db2.gz WXDYMKDJVGJNSJ-ULQDDVLXSA-N 2 0 346.475 0.189 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001210811749 734030194 /nfs/dbraw/zinc/03/01/94/734030194.db2.gz QKENGLGHMLKVRU-JKSUJKDBSA-N 2 0 336.480 0.696 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@H]3CCOC3)C2)CC1 ZINC000970919740 734089328 /nfs/dbraw/zinc/08/93/28/734089328.db2.gz FVEKRMJVKGBNEH-JKSUJKDBSA-N 2 0 333.476 0.805 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104354024 734611580 /nfs/dbraw/zinc/61/15/80/734611580.db2.gz OXDQLRZWUJKLAK-BRWVUGGUSA-N 2 0 348.491 0.294 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001167619868 736105692 /nfs/dbraw/zinc/10/56/92/736105692.db2.gz MNIUVCJALLNCTL-HOTGVXAUSA-N 2 0 336.480 0.485 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCCC[N@H+]3CC)C2)C1=O ZINC001023130952 736526489 /nfs/dbraw/zinc/52/64/89/736526489.db2.gz OUWTVPQQWXAPBD-VVLHAWIVSA-N 2 0 348.491 0.885 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(C2)CN(C[C@H](C)O)CCO3)CC1 ZINC000972686700 737378296 /nfs/dbraw/zinc/37/82/96/737378296.db2.gz BQQYLKVCLSMTDN-QFBILLFUSA-N 2 0 349.475 0.016 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000973410795 739224193 /nfs/dbraw/zinc/22/41/93/739224193.db2.gz PRSAOHWMDLFKQF-VQHPVUNQSA-N 2 0 346.475 0.332 20 30 ECEDRP 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328.416 0.627 20 30 ECEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001077366667 758916956 /nfs/dbraw/zinc/91/69/56/758916956.db2.gz UUCOFHWZQKXDDE-HZPDHXFCSA-N 2 0 327.388 0.618 20 30 ECEDRP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001054240902 767853986 /nfs/dbraw/zinc/85/39/86/767853986.db2.gz FYBHHYBHLWASRG-IEBWSBKVSA-N 2 0 333.476 0.902 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)CC1 ZINC001032206479 759634005 /nfs/dbraw/zinc/63/40/05/759634005.db2.gz BUAUOHOSOPBXIA-GOSISDBHSA-N 2 0 333.476 0.949 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001054296870 767905201 /nfs/dbraw/zinc/90/52/01/767905201.db2.gz BOJTXVVLUGHWFW-OWCLPIDISA-N 2 0 334.464 0.448 20 30 ECEDRP C#CC[NH+]1CCC2(CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC001050562503 760499822 /nfs/dbraw/zinc/49/98/22/760499822.db2.gz YISPEOJLLVIECK-UHFFFAOYSA-N 2 0 333.476 0.902 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001106246864 768010964 /nfs/dbraw/zinc/01/09/64/768010964.db2.gz SNJUDTMHXMFUQI-OWCLPIDISA-N 2 0 348.491 0.293 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106281839 768065454 /nfs/dbraw/zinc/06/54/54/768065454.db2.gz GRWRVIVPLHIIHM-INMHGKMJSA-N 2 0 336.480 0.006 20 30 ECEDRP C=C(C)CN1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083777548 764103464 /nfs/dbraw/zinc/10/34/64/764103464.db2.gz BAQUVKYQNOXSLY-JKIFEVAISA-N 2 0 327.444 0.936 20 30 ECEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047408797 764254148 /nfs/dbraw/zinc/25/41/48/764254148.db2.gz CIQSFBVSKWFYIT-SQNIBIBYSA-N 2 0 333.476 0.920 20 30 ECEDRP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)CC[N@@H+](C)CC)C2)nn1 ZINC001098763233 764333346 /nfs/dbraw/zinc/33/33/46/764333346.db2.gz VPPKBWZGFWJOAZ-INIZCTEOSA-N 2 0 332.452 0.506 20 30 ECEDRP 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C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC000992829528 767653611 /nfs/dbraw/zinc/65/36/11/767653611.db2.gz DXABIMZZSBTBBX-KBAYOESNSA-N 2 0 343.475 0.908 20 30 ECEDRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)C1 ZINC001055578260 769173259 /nfs/dbraw/zinc/17/32/59/769173259.db2.gz KSPBEKYXMLXPFO-INIZCTEOSA-N 2 0 346.475 0.048 20 30 ECEDRP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055583593 769181274 /nfs/dbraw/zinc/18/12/74/769181274.db2.gz UDVLSRJGIRLXFP-IIAWOOMASA-N 2 0 349.479 0.183 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CCO[C@@H](C)C3)C2)CC1 ZINC001031434959 771069001 /nfs/dbraw/zinc/06/90/01/771069001.db2.gz LEBDVUFVDISWTM-JKSUJKDBSA-N 2 0 333.476 0.947 20 30 ECEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474343 771302165 /nfs/dbraw/zinc/30/21/65/771302165.db2.gz LEVPFGPQIWEISN-MRXNPFEDSA-N 2 0 336.480 0.459 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001019812271 771826964 /nfs/dbraw/zinc/82/69/64/771826964.db2.gz GJHOKVDWBOSIJK-KRWDZBQOSA-N 2 0 329.448 0.419 20 30 ECEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001045672678 776012623 /nfs/dbraw/zinc/01/26/23/776012623.db2.gz UUZHIMKGRVXZCJ-IXDOHACOSA-N 2 0 333.476 0.947 20 30 ECEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097425 790595262 /nfs/dbraw/zinc/59/52/62/790595262.db2.gz RFVMFHGBYUCDHS-OAGGEKHMSA-N 2 0 332.452 0.538 20 30 ECEDRP C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001040712321 783312925 /nfs/dbraw/zinc/31/29/25/783312925.db2.gz IDXKNEFPCBZFSP-SJORKVTESA-N 2 0 331.460 0.797 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070526584 784231256 /nfs/dbraw/zinc/23/12/56/784231256.db2.gz RMHMTKOMXSRDLH-NBOOPKSLSA-N 2 0 343.475 0.668 20 30 ECEDRP C#CC[N@H+]1CC[C@]2(C1)CN(C(=O)C1CC[NH+](CC#C)CC1)C[C@@H](C)O2 ZINC001071244284 784822065 /nfs/dbraw/zinc/82/20/65/784822065.db2.gz SKSKRVRXMJBJAQ-XLIONFOSSA-N 2 0 343.471 0.657 20 30 ECEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700513 786999832 /nfs/dbraw/zinc/99/98/32/786999832.db2.gz OGMSMPDVMMTZOI-VZDIDWBNSA-N 2 0 347.459 0.080 20 30 ECEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700392 787001043 /nfs/dbraw/zinc/00/10/43/787001043.db2.gz KTTOKGGWJDXERA-VIHIWDAPSA-N 2 0 349.475 0.633 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)CC1 ZINC001072680500 788582486 /nfs/dbraw/zinc/58/24/86/788582486.db2.gz WLYRRZJETBDZPD-RDJZCZTQSA-N 2 0 348.491 0.246 20 30 ECEDRP C=CCNC(=O)CN1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267455409 837440212 /nfs/dbraw/zinc/44/02/12/837440212.db2.gz ZGGKWCXXXFAKQO-HZPDHXFCSA-N 2 0 336.480 0.696 20 30 ECEDRP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NCC#N ZINC001267500651 837576686 /nfs/dbraw/zinc/57/66/86/837576686.db2.gz BREOLEXLRGZHHC-HUUCEWRRSA-N 2 0 337.468 0.183 20 30 ECEDRP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267557731 837766279 /nfs/dbraw/zinc/76/62/79/837766279.db2.gz LLRANSNOJGUCCU-JKSUJKDBSA-N 2 0 334.464 0.048 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001266516671 835927734 /nfs/dbraw/zinc/92/77/34/835927734.db2.gz AHAOZHJZRTZZSY-HZPDHXFCSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001266520993 835935412 /nfs/dbraw/zinc/93/54/12/835935412.db2.gz XUXOGHOZEQTPFU-HZPDHXFCSA-N 2 0 346.475 0.191 20 30 ECEDRP C=CCN1CC[C@@H]([N@H+](CCC)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001266556498 835984280 /nfs/dbraw/zinc/98/42/80/835984280.db2.gz PGKIBGUOWRIEBD-JKSUJKDBSA-N 2 0 336.480 0.696 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001266591369 836022115 /nfs/dbraw/zinc/02/21/15/836022115.db2.gz IRRZAZGZFBLLKH-YHUYYLMFSA-N 2 0 336.480 0.787 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001266798846 836320309 /nfs/dbraw/zinc/32/03/09/836320309.db2.gz WIRWGKPELPTWGN-HNNXBMFYSA-N 2 0 336.480 0.696 20 30 ECEDRP C#Cc1cccc(NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001266992912 836575937 /nfs/dbraw/zinc/57/59/37/836575937.db2.gz FRUYDYSFRZOQTJ-GOEBONIOSA-N 2 0 342.443 0.652 20 30 ECEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267002212 836595305 /nfs/dbraw/zinc/59/53/05/836595305.db2.gz GSHXOXOWKTVFPZ-IAGOWNOFSA-N 2 0 348.491 0.438 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CCn2cccn2)CC1 ZINC001267257295 837083060 /nfs/dbraw/zinc/08/30/60/837083060.db2.gz USSHDRZAHXQVHM-UHFFFAOYSA-N 2 0 331.464 0.666 20 30 ECEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267303823 837171413 /nfs/dbraw/zinc/17/14/13/837171413.db2.gz RZCSVGHWJWIGAD-INIZCTEOSA-N 2 0 336.480 0.459 20 30 ECEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)c1sccc1C[NH+](C)C ZINC001267379788 837299098 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C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)nn2)C1 ZINC000999990349 745147728 /nfs/dbraw/zinc/14/77/28/745147728.db2.gz JUSBSQZQNQNMHU-DLBZAZTESA-N 2 0 344.463 0.647 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046317 745226957 /nfs/dbraw/zinc/22/69/57/745226957.db2.gz SHPBDWIHPFEGOG-GDBMZVCRSA-N 2 0 330.436 0.116 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001000520484 745562977 /nfs/dbraw/zinc/56/29/77/745562977.db2.gz FKZGEMBYEODQHV-IAGOWNOFSA-N 2 0 346.475 0.616 20 30 ECEDRP C[NH+](C)CCCCC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167784160 745598316 /nfs/dbraw/zinc/59/83/16/745598316.db2.gz OFVGSZDFPPIKDT-UHFFFAOYSA-N 2 0 337.468 0.234 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@H](C)C(N)=O)C2)CC1 ZINC001027694429 746862784 /nfs/dbraw/zinc/86/27/84/746862784.db2.gz YEIRXVCXDYUVKN-ZBFHGGJFSA-N 2 0 334.464 0.128 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046280 747140792 /nfs/dbraw/zinc/14/07/92/747140792.db2.gz NGIIBGRMOPREAW-PBIMCDDKSA-N 2 0 343.471 0.653 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1=O ZINC000985332627 747724525 /nfs/dbraw/zinc/72/45/25/747724525.db2.gz RAEKDKARQZNEDN-SJORKVTESA-N 2 0 348.491 0.790 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@H]3CCN(C)C3=O)C2)CC1 ZINC000980477491 749629784 /nfs/dbraw/zinc/62/97/84/749629784.db2.gz HAWGZICATUHPJE-SJORKVTESA-N 2 0 346.475 0.095 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1=O ZINC001005184258 750340625 /nfs/dbraw/zinc/34/06/25/750340625.db2.gz LKESHSAYTWFOGK-IRXDYDNUSA-N 2 0 348.491 0.790 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167835127 750466025 /nfs/dbraw/zinc/46/60/25/750466025.db2.gz AYTKCXPQACBJGN-OAHLLOKOSA-N 2 0 338.496 0.895 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001006314500 751233588 /nfs/dbraw/zinc/23/35/88/751233588.db2.gz LNNCJTXJHVMJKZ-PVAVHDDUSA-N 2 0 348.491 0.387 20 30 ECEDRP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001098682752 753684926 /nfs/dbraw/zinc/68/49/26/753684926.db2.gz GEGPALOTYRUTGX-QGZVFWFLSA-N 2 0 344.463 0.649 20 30 ECEDRP CC[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261833499 754417443 /nfs/dbraw/zinc/41/74/43/754417443.db2.gz VPSWUEMLIAQWLA-RBSFLKMASA-N 2 0 325.501 0.601 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000989828528 754497801 /nfs/dbraw/zinc/49/78/01/754497801.db2.gz FDUDYCYASLNWKQ-MAUKXSAKSA-N 2 0 343.475 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+][C@H](CC)C(N)=O)CC2)CC1 ZINC001168320672 754511824 /nfs/dbraw/zinc/51/18/24/754511824.db2.gz JKIGBUXRGGTFRR-MRXNPFEDSA-N 2 0 348.491 0.472 20 30 ECEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000086833415 754529841 /nfs/dbraw/zinc/52/98/41/754529841.db2.gz ZSCRCGHETQEANL-CQSZACIVSA-N 2 0 339.484 0.273 20 30 ECEDRP CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070307 756055768 /nfs/dbraw/zinc/05/57/68/756055768.db2.gz DEVWOKHMNWHDHW-RWBIUQBRSA-N 2 0 329.444 0.406 20 30 ECEDRP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]3C2)C1=O ZINC001048891665 757312770 /nfs/dbraw/zinc/31/27/70/757312770.db2.gz TWDJYTDELDCNOM-YYIAUSFCSA-N 2 0 348.491 0.504 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)CC1 ZINC001021469997 757484159 /nfs/dbraw/zinc/48/41/59/757484159.db2.gz QFQCNUSRKFFVHO-ALOPSCKCSA-N 2 0 346.475 0.189 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000996443532 757614297 /nfs/dbraw/zinc/61/42/97/757614297.db2.gz SVKYJRNZXVRBGN-OAHLLOKOSA-N 2 0 346.475 0.000 20 30 ECEDRP C=CCCN1CC(n2cc(CNC(=O)CCN3CCOCC3)nn2)C1 ZINC001107221349 757859815 /nfs/dbraw/zinc/85/98/15/757859815.db2.gz VFWQFKYLUHRASO-UHFFFAOYSA-N 2 0 348.451 0.049 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1=O ZINC000996711826 758561791 /nfs/dbraw/zinc/56/17/91/758561791.db2.gz LHAVXRMHVLHFPO-JKSUJKDBSA-N 2 0 336.480 0.694 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1=O ZINC000996711825 758561896 /nfs/dbraw/zinc/56/18/96/758561896.db2.gz LHAVXRMHVLHFPO-HZPDHXFCSA-N 2 0 336.480 0.694 20 30 ECEDRP N#Cc1ccc(C[NH2+]CCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC001127779569 758625499 /nfs/dbraw/zinc/62/54/99/758625499.db2.gz OFMSMSLPAHCPMV-SWLSCSKDSA-N 2 0 334.445 0.689 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001022885733 759250987 /nfs/dbraw/zinc/25/09/87/759250987.db2.gz NEHOWDFJWZOAJR-IXDOHACOSA-N 2 0 348.491 0.742 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107042671 759503927 /nfs/dbraw/zinc/50/39/27/759503927.db2.gz XOMNZCGRXIWKEU-BZUAXINKSA-N 2 0 338.496 0.701 20 30 ECEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047527518 764597416 /nfs/dbraw/zinc/59/74/16/764597416.db2.gz GJELVSXUFRNJJH-ZQIUZPCESA-N 2 0 325.428 0.336 20 30 ECEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001047527344 764598269 /nfs/dbraw/zinc/59/82/69/764598269.db2.gz CUEWQDIOLMGULZ-RLFYNMQTSA-N 2 0 339.455 0.726 20 30 ECEDRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC001047626821 764919934 /nfs/dbraw/zinc/91/99/34/764919934.db2.gz GSDVWGWWIKCWDA-FHWLQOOXSA-N 2 0 341.455 0.493 20 30 ECEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991958082 764943601 /nfs/dbraw/zinc/94/36/01/764943601.db2.gz SZYWFXPMJXUYIL-IFGVMOBSSA-N 2 0 343.471 0.986 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C2)CC1 ZINC001016331129 766130827 /nfs/dbraw/zinc/13/08/27/766130827.db2.gz XDVJNGNVMQOLJS-QGZVFWFLSA-N 2 0 329.448 0.419 20 30 ECEDRP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046030173 766697131 /nfs/dbraw/zinc/69/71/31/766697131.db2.gz KZDHAEOMOGXYNU-ZWKOTPCHSA-N 2 0 332.492 0.733 20 30 ECEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001046054636 766802165 /nfs/dbraw/zinc/80/21/65/766802165.db2.gz BAIKWWCUIREPRK-MOPGFXCFSA-N 2 0 346.519 0.960 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046073838 766887424 /nfs/dbraw/zinc/88/74/24/766887424.db2.gz MGINLJLBDCIUPR-LJQANCHMSA-N 2 0 346.519 0.960 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@@H+](CCC)C3)CC2)CC1 ZINC001046086495 766928453 /nfs/dbraw/zinc/92/84/53/766928453.db2.gz OTUTXNPNLLTYKY-IBGZPJMESA-N 2 0 346.519 0.960 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CCCO)CC3)CC1 ZINC001016985073 767439201 /nfs/dbraw/zinc/43/92/01/767439201.db2.gz JDVGGVWPWYOGGK-QGZVFWFLSA-N 2 0 333.476 0.685 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106602870 768488621 /nfs/dbraw/zinc/48/86/21/768488621.db2.gz VMUVZBRXIKKSRP-BZUAXINKSA-N 2 0 338.496 0.703 20 30 ECEDRP C=C(C)CCC(=O)NCC[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001055584692 769182777 /nfs/dbraw/zinc/18/27/77/769182777.db2.gz NRPVKGPOZIEUNI-UHFFFAOYSA-N 2 0 338.496 0.991 20 30 ECEDRP Cc1nc[nH]c1CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055607029 769243925 /nfs/dbraw/zinc/24/39/25/769243925.db2.gz QWGCOCGDPGCQCC-GFCCVEGCSA-N 2 0 346.435 0.117 20 30 ECEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001055630976 769301853 /nfs/dbraw/zinc/30/18/53/769301853.db2.gz BKOUHSGIAXJZHW-AWEZNQCLSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633297 769309926 /nfs/dbraw/zinc/30/99/26/769309926.db2.gz JBRMAMIEVLRWKQ-UHFFFAOYSA-N 2 0 336.480 0.438 20 30 ECEDRP CC[N@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055643112 769330840 /nfs/dbraw/zinc/33/08/40/769330840.db2.gz VOYYEFOKHVHKBD-UHFFFAOYSA-N 2 0 348.491 0.438 20 30 ECEDRP C#CC[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001042114272 782795979 /nfs/dbraw/zinc/79/59/79/782795979.db2.gz IXGNTVBUXJRBGJ-SJORKVTESA-N 2 0 333.476 0.901 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001019230899 771033640 /nfs/dbraw/zinc/03/36/40/771033640.db2.gz AIYPHJBTCSNEHD-HOTGVXAUSA-N 2 0 348.491 0.838 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001020349056 772479506 /nfs/dbraw/zinc/47/95/06/772479506.db2.gz UEERWUMFVSCUOH-JYJNAYRXSA-N 2 0 346.475 0.639 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070289490 783794718 /nfs/dbraw/zinc/79/47/18/783794718.db2.gz FLHKHLDVTDHTJW-ZACQAIPSSA-N 2 0 344.463 0.516 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001070312121 783817298 /nfs/dbraw/zinc/81/72/98/783817298.db2.gz ACQYZNQSIQCCQT-ZBFHGGJFSA-N 2 0 339.403 0.028 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001070433798 784059291 /nfs/dbraw/zinc/05/92/91/784059291.db2.gz DRYPLDBOZUYHIE-GJZGRUSLSA-N 2 0 329.448 0.790 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001070494751 784189104 /nfs/dbraw/zinc/18/91/04/784189104.db2.gz GYOGUHHXJKUFEP-CWLKWCNXSA-N 2 0 343.475 0.668 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C[C@H]1c1cncn1C ZINC001070720729 784594421 /nfs/dbraw/zinc/59/44/21/784594421.db2.gz GGSFPHQFNKKCIJ-ZACQAIPSSA-N 2 0 343.475 0.812 20 30 ECEDRP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227872 784786911 /nfs/dbraw/zinc/78/69/11/784786911.db2.gz LIOOYOYHCHEKKD-QFBILLFUSA-N 2 0 331.460 0.797 20 30 ECEDRP C=C(C)C[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603969 786754902 /nfs/dbraw/zinc/75/49/02/786754902.db2.gz SWBVYMLKHVDVTQ-INIZCTEOSA-N 2 0 349.479 0.842 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC#CC)CCCO2)CC1 ZINC001073899591 787475271 /nfs/dbraw/zinc/47/52/71/787475271.db2.gz YDFGWJVCAATGAT-SFHVURJKSA-N 2 0 331.460 0.562 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)[C@H]2C)C1=O ZINC001074687838 787599578 /nfs/dbraw/zinc/59/95/78/787599578.db2.gz WZTFOVZEXQLYKD-BHYGNILZSA-N 2 0 348.491 0.837 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)[C@@H]2C)CC1 ZINC001075129096 788947383 /nfs/dbraw/zinc/94/73/83/788947383.db2.gz WNFHFEUIOFPDOH-BHYGNILZSA-N 2 0 346.475 0.141 20 30 ECEDRP C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CCC[N@H+]3C)n2)C1 ZINC001069838125 790070314 /nfs/dbraw/zinc/07/03/14/790070314.db2.gz NYEJBOGGKTZZIC-SJORKVTESA-N 2 0 341.459 0.594 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267490069 837555440 /nfs/dbraw/zinc/55/54/40/837555440.db2.gz FNEBGYHGYRAKCN-GDBMZVCRSA-N 2 0 334.464 0.047 20 30 ECEDRP C=CCNC(=O)CN(CC)CCNC(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC001266417572 835822501 /nfs/dbraw/zinc/82/25/01/835822501.db2.gz BTUYXOWXWDZKHD-OAHLLOKOSA-N 2 0 347.463 0.494 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC(=O)N(C)CC)C2CC2)CC1 ZINC001266445523 835848210 /nfs/dbraw/zinc/84/82/10/835848210.db2.gz SOYRCWCPDGWWPR-QGZVFWFLSA-N 2 0 348.491 0.294 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001266731094 836211228 /nfs/dbraw/zinc/21/12/28/836211228.db2.gz QXFSGNSRXHTIKW-HOTGVXAUSA-N 2 0 336.480 0.696 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001266876391 836423322 /nfs/dbraw/zinc/42/33/22/836423322.db2.gz LYJONCDEHRNWFL-HZPDHXFCSA-N 2 0 348.491 0.437 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001267017144 836627795 /nfs/dbraw/zinc/62/77/95/836627795.db2.gz TTWNYGHXEHWJTO-HOTGVXAUSA-N 2 0 334.464 0.048 20 30 ECEDRP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CC(=O)NCC#N)CCC1 ZINC001267169696 836900589 /nfs/dbraw/zinc/90/05/89/836900589.db2.gz UXSFUYWBIOPHCO-HNNXBMFYSA-N 2 0 349.479 0.471 20 30 ECEDRP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267302705 837167739 /nfs/dbraw/zinc/16/77/39/837167739.db2.gz GYCDQUXHYITZPU-SJORKVTESA-N 2 0 348.491 0.437 20 30 ECEDRP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267659266 838179580 /nfs/dbraw/zinc/17/95/80/838179580.db2.gz YGGPXTJECKJTMK-CVEARBPZSA-N 2 0 334.464 0.000 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CC(=O)NCC)C2)CC1 ZINC001267707840 838311443 /nfs/dbraw/zinc/31/14/43/838311443.db2.gz IATNTZYZQKVSRK-INIZCTEOSA-N 2 0 348.491 0.248 20 30 ECEDRP C#CCNC(=O)CN1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001267764655 838497592 /nfs/dbraw/zinc/49/75/92/838497592.db2.gz XGMRAEDXPUPWHI-INIZCTEOSA-N 2 0 348.491 0.533 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC001267844592 838642050 /nfs/dbraw/zinc/64/20/50/838642050.db2.gz NKYUVTYVGFCNMY-OAHLLOKOSA-N 2 0 346.475 0.239 20 30 ECEDRP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)nn1 ZINC001105191689 838743131 /nfs/dbraw/zinc/74/31/31/838743131.db2.gz ALABPMUSYDKYBF-INIZCTEOSA-N 2 0 332.452 0.811 20 30 ECEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCCC1 ZINC001268034874 839094543 /nfs/dbraw/zinc/09/45/43/839094543.db2.gz QQYBYLMSOOWDIK-INIZCTEOSA-N 2 0 348.491 0.629 20 30 ECEDRP CC[NH2+]CCNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000419895742 209241953 /nfs/dbraw/zinc/24/19/53/209241953.db2.gz SYCORSGBPWBMDO-UHFFFAOYSA-N 2 0 345.447 0.174 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000490670690 254882459 /nfs/dbraw/zinc/88/24/59/254882459.db2.gz NVEONOFDIXODKC-QGZVFWFLSA-N 2 0 334.508 0.721 20 30 ECEDRP COc1ccc(CNC(=[NH2+])NC[C@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000104182703 436557574 /nfs/dbraw/zinc/55/75/74/436557574.db2.gz KWMFNPMCVFTBIG-AWEZNQCLSA-N 2 0 349.479 0.744 20 30 ECEDRP Cc1ccc(C#N)cc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130583130 436839542 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333.436 0.991 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185734599 437448901 /nfs/dbraw/zinc/44/89/01/437448901.db2.gz LTPZBWWXYWPEOP-INIZCTEOSA-N 2 0 337.512 0.962 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340507939 437676775 /nfs/dbraw/zinc/67/67/75/437676775.db2.gz HGLCYXPTCWWRBB-CQSZACIVSA-N 2 0 334.464 0.354 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000343902183 437687133 /nfs/dbraw/zinc/68/71/33/437687133.db2.gz BOTZOZLOEYDHCB-GOEBONIOSA-N 2 0 348.491 0.885 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000365884235 437985073 /nfs/dbraw/zinc/98/50/73/437985073.db2.gz SQULBLUZDJFNLH-UHFFFAOYSA-N 2 0 329.448 1.434 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419734058 438368651 /nfs/dbraw/zinc/36/86/51/438368651.db2.gz UVCLTNSYCQMDMN-INIZCTEOSA-N 2 0 338.496 0.975 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420370840 438401399 /nfs/dbraw/zinc/40/13/99/438401399.db2.gz CXMLCLUIMAEPOC-NWANDNLSSA-N 2 0 338.452 0.605 20 30 ECEDRP CN(CCC[NH+]1CCN(C)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352784418 438474027 /nfs/dbraw/zinc/47/40/27/438474027.db2.gz OYPLJVULNVUNRZ-QGZVFWFLSA-N 2 0 329.448 0.654 20 30 ECEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423078978 438635813 /nfs/dbraw/zinc/63/58/13/438635813.db2.gz XCHIKRLKCQUYEB-INIZCTEOSA-N 2 0 343.431 0.008 20 30 ECEDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000517742499 438975169 /nfs/dbraw/zinc/97/51/69/438975169.db2.gz GGAMEBUYHLOLDE-AWEZNQCLSA-N 2 0 327.436 0.717 20 30 ECEDRP C#CCN1CCN(C(=O)CN2CC[N@@H+](C)C3(CCCCC3)C2)CC1 ZINC000491672502 439423229 /nfs/dbraw/zinc/42/32/29/439423229.db2.gz SBWPFWANNNSLFO-UHFFFAOYSA-N 2 0 332.492 0.714 20 30 ECEDRP C=CC[C@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662716711 439857396 /nfs/dbraw/zinc/85/73/96/439857396.db2.gz VSLVPGAZAWZVNL-GOSISDBHSA-N 2 0 334.464 0.451 20 30 ECEDRP C#CCN1CCN(C(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000799178196 578660614 /nfs/dbraw/zinc/66/06/14/578660614.db2.gz HNEPEVADXFZJAH-UHFFFAOYSA-N 2 0 332.492 0.572 20 30 ECEDRP C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017392 589989488 /nfs/dbraw/zinc/98/94/88/589989488.db2.gz MRWQDGILYREQBW-BRWVUGGUSA-N 2 0 338.496 0.655 20 30 ECEDRP C=CCn1cc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC000875680937 590320813 /nfs/dbraw/zinc/32/08/13/590320813.db2.gz MHRYRDVBMHVTHX-HUUCEWRRSA-N 2 0 349.483 0.345 20 30 ECEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000876752688 590408784 /nfs/dbraw/zinc/40/87/84/590408784.db2.gz WJKXFFRRGLKACP-CYBMUJFWSA-N 2 0 330.860 0.469 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000884642884 590881567 /nfs/dbraw/zinc/88/15/67/590881567.db2.gz RUTLQZVQOWPJDC-OAHLLOKOSA-N 2 0 336.480 0.873 20 30 ECEDRP C#CCN(C(=O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000930492436 611435511 /nfs/dbraw/zinc/43/55/11/611435511.db2.gz XTFGDLSVFZNWCM-RHSMWYFYSA-N 2 0 346.475 0.141 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C(C)C ZINC000911204267 609824678 /nfs/dbraw/zinc/82/46/78/609824678.db2.gz ZNFUSBBAIIFHIK-HZMVEIRTSA-N 2 0 348.491 0.810 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000950429174 612015796 /nfs/dbraw/zinc/01/57/96/612015796.db2.gz ZBSUDTGFAVMILX-DLBZAZTESA-N 2 0 346.475 0.143 20 30 ECEDRP C=CCOCC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001098540549 733854030 /nfs/dbraw/zinc/85/40/30/733854030.db2.gz SKCICUSMFSPVAJ-UHFFFAOYSA-N 2 0 341.496 0.816 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cccn2)C1 ZINC000971703678 734965256 /nfs/dbraw/zinc/96/52/56/734965256.db2.gz LBCFZYQNNSNWGZ-IRXDYDNUSA-N 2 0 329.448 0.513 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2ncc[nH]2)CC1 ZINC001167532797 735576216 /nfs/dbraw/zinc/57/62/16/735576216.db2.gz ZTSNVFZBPQCBIL-CYBMUJFWSA-N 2 0 333.436 0.519 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167636310 736188301 /nfs/dbraw/zinc/18/83/01/736188301.db2.gz RRVWWLNYAFVWTH-JKSUJKDBSA-N 2 0 336.480 0.483 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nccnc3C)C2)CC1 ZINC001023127701 736522972 /nfs/dbraw/zinc/52/29/72/736522972.db2.gz AQTPZZNLPXTRJC-CALCHBBNSA-N 2 0 341.459 0.867 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC1 ZINC001023128214 736523613 /nfs/dbraw/zinc/52/36/13/736523613.db2.gz USBYFGNDLGYRGZ-IXDOHACOSA-N 2 0 346.475 0.189 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC001023421651 736809161 /nfs/dbraw/zinc/80/91/61/736809161.db2.gz FXTMETCIWXYZAQ-ROUUACIJSA-N 2 0 343.475 0.809 20 30 ECEDRP C#CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500032 736924433 /nfs/dbraw/zinc/92/44/33/736924433.db2.gz OSPPWTZFWDNPAX-FXQQTDPRSA-N 2 0 331.460 0.701 20 30 ECEDRP C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734983 737570013 /nfs/dbraw/zinc/57/00/13/737570013.db2.gz IOOSMIOZESUEAX-HZPDHXFCSA-N 2 0 346.475 0.402 20 30 ECEDRP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554257 739714410 /nfs/dbraw/zinc/71/44/10/739714410.db2.gz AHFSGCXMKVTIHX-HZPDHXFCSA-N 2 0 331.464 0.908 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC001025629555 739794570 /nfs/dbraw/zinc/79/45/70/739794570.db2.gz IIOURKYKNMKMFN-SJLPKXTDSA-N 2 0 335.492 0.931 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CCCC[N@H+]2C)C1=O ZINC001025820292 740007721 /nfs/dbraw/zinc/00/77/21/740007721.db2.gz JUYGZIHJZNSZIY-JJTUDDRGSA-N 2 0 346.475 0.304 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105327218 741812699 /nfs/dbraw/zinc/81/26/99/741812699.db2.gz WUSIJLCUTBBUSJ-CQSZACIVSA-N 2 0 330.436 0.116 20 30 ECEDRP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826147 742225076 /nfs/dbraw/zinc/22/50/76/742225076.db2.gz NPIUJHADHRAABH-IOSXPMGOSA-N 2 0 331.460 0.700 20 30 ECEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826146 742225136 /nfs/dbraw/zinc/22/51/36/742225136.db2.gz NPIUJHADHRAABH-BWRBCVJASA-N 2 0 331.460 0.700 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3nccn3C)C2)CC1 ZINC001027234012 743246274 /nfs/dbraw/zinc/24/62/74/743246274.db2.gz ODODAVUWKYQGHO-INIZCTEOSA-N 2 0 343.475 0.703 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+][C@H]3CCN(C)C3=O)CC2)CC1 ZINC000997362586 743534319 /nfs/dbraw/zinc/53/43/19/743534319.db2.gz ALDPENYCJXJULT-KRWDZBQOSA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000997691608 743756212 /nfs/dbraw/zinc/75/62/12/743756212.db2.gz 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C[NH+]=C(NCCN1CCOCC1)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000849111375 589320854 /nfs/dbraw/zinc/32/08/54/589320854.db2.gz ZAYGOAOHFWIJHV-OAHLLOKOSA-N 2 0 325.501 0.604 20 30 ECEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCN(c2ncccn2)CC1 ZINC000114066796 589658531 /nfs/dbraw/zinc/65/85/31/589658531.db2.gz LXUVLXMJNQSHSX-OAHLLOKOSA-N 2 0 331.468 0.514 20 30 ECEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(C#N)cn2)C[C@H]1C[NH+](C)C ZINC000875516293 590306900 /nfs/dbraw/zinc/30/69/00/590306900.db2.gz RDUYDMKSKXPWNV-HZPDHXFCSA-N 2 0 344.463 0.834 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCOC[C@]2(COC)C[NH+](C)C)CC1 ZINC000876473223 590379009 /nfs/dbraw/zinc/37/90/09/590379009.db2.gz RPYNUPPLKSBBSB-GOSISDBHSA-N 2 0 337.464 0.137 20 30 ECEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000876512315 590384139 /nfs/dbraw/zinc/38/41/39/590384139.db2.gz LKAOTQGKZHSNHT-STQMWFEESA-N 2 0 328.844 0.127 20 30 ECEDRP C[NH+]1CCN(CCNC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876780238 590413814 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C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC[C@@H]2CCOC2)CC1 ZINC001039042885 731979239 /nfs/dbraw/zinc/97/92/39/731979239.db2.gz YKLOXIHRHLIASB-SJLPKXTDSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001167232520 733076706 /nfs/dbraw/zinc/07/67/06/733076706.db2.gz FVCFTGPQOLOOLR-HZPDHXFCSA-N 2 0 348.491 0.342 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2cnnn2CC)C1 ZINC000971703630 734965169 /nfs/dbraw/zinc/96/51/69/734965169.db2.gz JXBLDXUTEZKWBC-RDJZCZTQSA-N 2 0 344.463 0.428 20 30 ECEDRP C=CCOCC[NH+](CCO)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001098572365 736268974 /nfs/dbraw/zinc/26/89/74/736268974.db2.gz DWFIGIDYMOGTPL-UHFFFAOYSA-N 2 0 341.496 0.815 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001022975453 736346221 /nfs/dbraw/zinc/34/62/21/736346221.db2.gz LXXPOQYDXBPKGS-JONQDZQNSA-N 2 0 334.464 0.352 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H]3C[C@]34CCOC4)C2)CC1 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CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000262526386 748121838 /nfs/dbraw/zinc/12/18/38/748121838.db2.gz LEZSFRMWVOWHTR-QGZVFWFLSA-N 2 0 348.470 0.508 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@H]([NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001088429896 749193332 /nfs/dbraw/zinc/19/33/32/749193332.db2.gz CKYPAJWAQPUVPB-WBVHZDCISA-N 2 0 348.491 0.566 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCCO)C[C@H]3C2)CC1 ZINC000980255162 749261493 /nfs/dbraw/zinc/26/14/93/749261493.db2.gz PBGGYSAIBNPSFJ-IPMKNSEASA-N 2 0 347.503 0.931 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cncn3C)[C@@H]2C)CC1 ZINC000987575282 750977844 /nfs/dbraw/zinc/97/78/44/750977844.db2.gz IXMMFXNSKUVNBQ-MAUKXSAKSA-N 2 0 343.475 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCCN2CC(=O)NC2CC2)CC1 ZINC001028334202 752414587 /nfs/dbraw/zinc/41/45/87/752414587.db2.gz XDROLMDNDKHBHL-KRWDZBQOSA-N 2 0 346.475 0.191 20 30 ECEDRP CC#CCNCc1cn([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001098645420 752697632 /nfs/dbraw/zinc/69/76/32/752697632.db2.gz LWSXAFQHBOXXDZ-CVEARBPZSA-N 2 0 330.436 0.259 20 30 ECEDRP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3C#N)C2)C1 ZINC001028465472 752755391 /nfs/dbraw/zinc/75/53/91/752755391.db2.gz LATJIZRDVUWHAL-QAPCUYQASA-N 2 0 342.443 0.827 20 30 ECEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261732890 752990200 /nfs/dbraw/zinc/99/02/00/752990200.db2.gz KIFRHSKPWLWPHQ-RRFJBIMHSA-N 2 0 325.501 0.601 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+][C@H]3CCNC3=O)CC2)CC1 ZINC001168308865 754287401 /nfs/dbraw/zinc/28/74/01/754287401.db2.gz YMJXUJZGADCCQJ-INIZCTEOSA-N 2 0 346.475 0.096 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001030021618 755737447 /nfs/dbraw/zinc/73/74/47/755737447.db2.gz HNFXCCKXACRETM-JYJNAYRXSA-N 2 0 336.480 0.694 20 30 ECEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048943779 757479500 /nfs/dbraw/zinc/47/95/00/757479500.db2.gz GMIMKVZMTWILJS-XFHVWQCUSA-N 2 0 329.444 0.263 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)C1=O ZINC001054298398 767907700 /nfs/dbraw/zinc/90/77/00/767907700.db2.gz HNFXCCKXACRETM-PMPSAXMXSA-N 2 0 336.480 0.694 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+]([C@@H](C)C(N)=O)CC3)CC1 ZINC001050765104 760805235 /nfs/dbraw/zinc/80/52/35/760805235.db2.gz JZBPCGBIRQUGDB-HNNXBMFYSA-N 2 0 346.475 0.130 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127082786 761028315 /nfs/dbraw/zinc/02/83/15/761028315.db2.gz YUWANYCJASYOBE-MRXNPFEDSA-N 2 0 336.480 0.766 20 30 ECEDRP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106272197 768042016 /nfs/dbraw/zinc/04/20/16/768042016.db2.gz UOMSZDDSTCKRDB-OAGGEKHMSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(=O)N(C)C)C2)CC1 ZINC001046849095 763227333 /nfs/dbraw/zinc/22/73/33/763227333.db2.gz BFZMJVNALMGMKH-BEFAXECRSA-N 2 0 348.491 0.389 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001051944304 763412120 /nfs/dbraw/zinc/41/21/20/763412120.db2.gz UVFABYSCJIXZRW-SJLPKXTDSA-N 2 0 349.475 0.185 20 30 ECEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001052028931 763625083 /nfs/dbraw/zinc/62/50/83/763625083.db2.gz VAMMDMPJKUNOPQ-OALUTQOASA-N 2 0 344.503 0.570 20 30 ECEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036680 763650935 /nfs/dbraw/zinc/65/09/35/763650935.db2.gz SIKDOJCXANQRHY-QZTJIDSGSA-N 2 0 332.492 0.568 20 30 ECEDRP C#CCCN1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001083778018 764105085 /nfs/dbraw/zinc/10/50/85/764105085.db2.gz XVFMNCZLKBZZCW-KEYYUXOJSA-N 2 0 325.428 0.384 20 30 ECEDRP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098768345 764652382 /nfs/dbraw/zinc/65/23/82/764652382.db2.gz SJHNDAMQBUKBJB-MRXNPFEDSA-N 2 0 344.463 0.813 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001052954560 765410370 /nfs/dbraw/zinc/41/03/70/765410370.db2.gz OXDISGJRXMETKL-HOCLYGCPSA-N 2 0 334.464 0.176 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC001046036857 766729598 /nfs/dbraw/zinc/72/95/98/766729598.db2.gz HTIAWWJGQCIXEF-ROUUACIJSA-N 2 0 334.508 0.814 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CC(=O)NC)CC3)CC1 ZINC000992513494 766752912 /nfs/dbraw/zinc/75/29/12/766752912.db2.gz VVMRNEDXQGXNIY-QFBILLFUSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001046050932 766788711 /nfs/dbraw/zinc/78/87/11/766788711.db2.gz SZCODWJGKAEUEX-KRWDZBQOSA-N 2 0 332.492 0.713 20 30 ECEDRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]Cc2ccc(C#N)s2)n1 ZINC001127575977 767052979 /nfs/dbraw/zinc/05/29/79/767052979.db2.gz FTJLSBARELSXPS-UHFFFAOYSA-N 2 0 346.460 0.897 20 30 ECEDRP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055602153 769234303 /nfs/dbraw/zinc/23/43/03/769234303.db2.gz RIJMQELSNKTSLS-CABCVRRESA-N 2 0 349.479 0.185 20 30 ECEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001055632452 769306254 /nfs/dbraw/zinc/30/62/54/769306254.db2.gz VKIZDRZYJQYIFA-HOCLYGCPSA-N 2 0 349.479 0.327 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001106898146 771518321 /nfs/dbraw/zinc/51/83/21/771518321.db2.gz VPMJRFLGXHQDJM-HZPDHXFCSA-N 2 0 336.480 0.152 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2nccn2CC)C1 ZINC001020250642 772350639 /nfs/dbraw/zinc/35/06/39/772350639.db2.gz KJTNCKBYLOEVBS-JYJNAYRXSA-N 2 0 329.448 0.737 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2nccn2C)CC1 ZINC001045321032 775407978 /nfs/dbraw/zinc/40/79/78/775407978.db2.gz CQEBKGXJVUWJBG-KRWDZBQOSA-N 2 0 343.475 0.846 20 30 ECEDRP C#CCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273350 780949452 /nfs/dbraw/zinc/94/94/52/780949452.db2.gz AMIUXZRSXSXQSS-FGTMMUONSA-N 2 0 345.487 0.901 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070223971 783693003 /nfs/dbraw/zinc/69/30/03/783693003.db2.gz GMYVBYUUIVEEMR-IKGGRYGDSA-N 2 0 346.479 0.926 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070399283 783965287 /nfs/dbraw/zinc/96/52/87/783965287.db2.gz IFDXGPOKOBAYQZ-ZBFHGGJFSA-N 2 0 329.448 0.933 20 30 ECEDRP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001070400165 783968272 /nfs/dbraw/zinc/96/82/72/783968272.db2.gz SJYBQZVXVSNVIB-ZBFHGGJFSA-N 2 0 329.448 0.933 20 30 ECEDRP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071020873 784441383 /nfs/dbraw/zinc/44/13/83/784441383.db2.gz ZGRHOTBSQFQLAD-MRXNPFEDSA-N 2 0 336.480 0.555 20 30 ECEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001071062318 784501201 /nfs/dbraw/zinc/50/12/01/784501201.db2.gz WADULHKNZUFLME-SQNIBIBYSA-N 2 0 333.476 0.946 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070657721 784510464 /nfs/dbraw/zinc/51/04/64/784510464.db2.gz HINWLLKZHLSMOM-GVDBMIGSSA-N 2 0 343.475 0.812 20 30 ECEDRP C#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)C13CCC[NH+]1CCC3)C[C@H](C)O2 ZINC001071186044 784690132 /nfs/dbraw/zinc/69/01/32/784690132.db2.gz PPGDESMAIGCLQM-FUHWJXTLSA-N 2 0 331.460 0.940 20 30 ECEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073740136 787091058 /nfs/dbraw/zinc/09/10/58/787091058.db2.gz BWTZJBSZFSLCBY-IAGOWNOFSA-N 2 0 339.480 0.879 20 30 ECEDRP C=CCC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816046 787251508 /nfs/dbraw/zinc/25/15/08/787251508.db2.gz SRKHHBJZCBKNBE-QGZVFWFLSA-N 2 0 349.479 0.842 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001267488113 837553129 /nfs/dbraw/zinc/55/31/29/837553129.db2.gz YNQRSPDNXAXRQU-HNNXBMFYSA-N 2 0 348.491 0.437 20 30 ECEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001266297914 835650019 /nfs/dbraw/zinc/65/00/19/835650019.db2.gz XMQXHNLGULSFAW-MSOLQXFVSA-N 2 0 334.508 0.864 20 30 ECEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001266750351 836241505 /nfs/dbraw/zinc/24/15/05/836241505.db2.gz VGOYNHILMWWBDD-SJLPKXTDSA-N 2 0 333.476 0.806 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001266790478 836308305 /nfs/dbraw/zinc/30/83/05/836308305.db2.gz HZJQBXCZPWQJSR-SJORKVTESA-N 2 0 348.491 0.438 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)C1=O ZINC001266798847 836319378 /nfs/dbraw/zinc/31/93/78/836319378.db2.gz WIRWGKPELPTWGN-OAHLLOKOSA-N 2 0 336.480 0.696 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001266880527 836427567 /nfs/dbraw/zinc/42/75/67/836427567.db2.gz LIWMBWWLBCEUPP-CVEARBPZSA-N 2 0 336.480 0.437 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267018973 836635060 /nfs/dbraw/zinc/63/50/60/836635060.db2.gz VKLUSIPTAIDSAD-IRXDYDNUSA-N 2 0 348.491 0.719 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267022246 836638662 /nfs/dbraw/zinc/63/86/62/836638662.db2.gz DYODKSBZZDMTIX-INIZCTEOSA-N 2 0 346.475 0.473 20 30 ECEDRP C=C(Br)C[NH2+]CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001267081613 836727784 /nfs/dbraw/zinc/72/77/84/836727784.db2.gz PWSVVRSHOFKIDT-LBPRGKRZSA-N 2 0 348.285 0.911 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001267184669 836937320 /nfs/dbraw/zinc/93/73/20/836937320.db2.gz CAUOIJSYNMVLHS-HNNXBMFYSA-N 2 0 348.491 0.437 20 30 ECEDRP C#CCNC(=O)[C@H](C)N(C)CCNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001267232421 837037450 /nfs/dbraw/zinc/03/74/50/837037450.db2.gz HUNGNSCWFVGGFM-DOTOQJQBSA-N 2 0 344.459 0.475 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001267872690 838668470 /nfs/dbraw/zinc/66/84/70/838668470.db2.gz PSYGAGXCIWXVCQ-QFBILLFUSA-N 2 0 348.491 0.486 20 30 ECEDRP C=CCNC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267966230 838883155 /nfs/dbraw/zinc/88/31/55/838883155.db2.gz ISAOBPUTECYEOD-GDBMZVCRSA-N 2 0 336.480 0.600 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@H]3CCC[N@H+]3C)CCCC2)C1=O ZINC001268033288 839081445 /nfs/dbraw/zinc/08/14/45/839081445.db2.gz LDDZNENXQYMKLW-HZPDHXFCSA-N 2 0 348.491 0.886 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000076454111 436205007 /nfs/dbraw/zinc/20/50/07/436205007.db2.gz TYSUIOQQXJCVEI-KRWDZBQOSA-N 2 0 348.491 0.391 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC[C@@](C)(O)c1cc(C)oc1C ZINC000261928498 436896580 /nfs/dbraw/zinc/89/65/80/436896580.db2.gz JJTNZKAPKYEEHW-CRAIPNDOSA-N 2 0 349.479 0.269 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1cc(Cl)cn1C ZINC000261962386 436897397 /nfs/dbraw/zinc/89/73/97/436897397.db2.gz KPPUERDQUSYVMT-HNNXBMFYSA-N 2 0 338.887 0.686 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261934262 436898943 /nfs/dbraw/zinc/89/89/43/436898943.db2.gz CCOUAROKFGMFEF-JKSUJKDBSA-N 2 0 346.479 0.356 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)c1cccc(O)c1 ZINC000264230278 437018355 /nfs/dbraw/zinc/01/83/55/437018355.db2.gz CGEPOBOBGROFIU-OAHLLOKOSA-N 2 0 347.463 0.901 20 30 ECEDRP COCCNC(=[NH2+])NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000264083157 437014950 /nfs/dbraw/zinc/01/49/50/437014950.db2.gz IXHRTMTVABHIFW-UHFFFAOYSA-N 2 0 349.479 0.758 20 30 ECEDRP C[C@H](NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C)[C@H](C)N1CCOCC1 ZINC000329993870 437443116 /nfs/dbraw/zinc/44/31/16/437443116.db2.gz YUWVJMXUUSCXHV-XQLPTFJDSA-N 2 0 326.441 0.024 20 30 ECEDRP CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000330634735 437575758 /nfs/dbraw/zinc/57/57/58/437575758.db2.gz CBSLVNQMXSPQSG-SFHVURJKSA-N 2 0 349.523 0.952 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000343898038 437687400 /nfs/dbraw/zinc/68/74/00/437687400.db2.gz ZDXLNAKWZXQAGC-HNNXBMFYSA-N 2 0 338.496 0.990 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000343928554 437699950 /nfs/dbraw/zinc/69/99/50/437699950.db2.gz VUWYQUVDYPXVFY-WBVHZDCISA-N 2 0 348.491 0.696 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)C(C)C ZINC000419564726 438362066 /nfs/dbraw/zinc/36/20/66/438362066.db2.gz CUVAMYMOHKMMFK-HZPDHXFCSA-N 2 0 336.480 0.622 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)C(C)C ZINC000419567688 438362906 /nfs/dbraw/zinc/36/29/06/438362906.db2.gz JACAQASBGJRTKF-JKSUJKDBSA-N 2 0 336.480 0.608 20 30 ECEDRP C=CCNC(=O)NC(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451994950 438624171 /nfs/dbraw/zinc/62/41/71/438624171.db2.gz WATXWGFNARGJIT-UHFFFAOYSA-N 2 0 325.457 0.004 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000553330651 438749502 /nfs/dbraw/zinc/74/95/02/438749502.db2.gz OWCAMXOARRAPSO-INIZCTEOSA-N 2 0 334.464 0.450 20 30 ECEDRP C[NH+]1CCN(c2cc(CNC(=O)[C@H]([NH3+])CCCC#N)ccn2)CC1 ZINC000567780524 439176544 /nfs/dbraw/zinc/17/65/44/439176544.db2.gz WIDRVPFKGWRZHF-OAHLLOKOSA-N 2 0 330.436 0.471 20 30 ECEDRP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC(C)(C)C#N)(N2CCOCC2)CC1 ZINC000598726756 439308380 /nfs/dbraw/zinc/30/83/80/439308380.db2.gz ARCWLEDRYNMAKK-INIZCTEOSA-N 2 0 338.496 0.673 20 30 ECEDRP C#CCNC(=O)CC[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000491554738 439406658 /nfs/dbraw/zinc/40/66/58/439406658.db2.gz LSYBLMCYQJJQTO-UHFFFAOYSA-N 2 0 328.460 0.663 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000491427912 439382361 /nfs/dbraw/zinc/38/23/61/439382361.db2.gz MMJUVASIEYYYNS-IRXDYDNUSA-N 2 0 336.480 0.869 20 30 ECEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600719088 439695389 /nfs/dbraw/zinc/69/53/89/439695389.db2.gz BOAFWTKFLJGJCQ-NVXWUHKLSA-N 2 0 332.448 0.523 20 30 ECEDRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600723179 439696177 /nfs/dbraw/zinc/69/61/77/439696177.db2.gz WHGQYVYCJCHZBV-MRXNPFEDSA-N 2 0 329.448 0.978 20 30 ECEDRP C#CCNc1nc(NC[C@@H]2CC[NH+]2C)nc(NC[C@@H]2CC[N@H+]2C)n1 ZINC000895770770 586204013 /nfs/dbraw/zinc/20/40/13/586204013.db2.gz QZGBIKAJUHFCLM-STQMWFEESA-N 2 0 330.440 0.149 20 30 ECEDRP CCC(CC)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+](C)C ZINC000104161080 586333829 /nfs/dbraw/zinc/33/38/29/586333829.db2.gz CDLMZHXOHLRFJL-MRXNPFEDSA-N 2 0 327.517 0.979 20 30 ECEDRP C[C@]([NH3+])(C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1ccc(Br)cc1 ZINC000841849946 586380331 /nfs/dbraw/zinc/38/03/31/586380331.db2.gz QJXWDSCSKTXMOJ-DUFXMDAXSA-N 2 0 337.221 0.851 20 30 ECEDRP C#CCN(CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CC[NH+](C)CC1 ZINC000902540643 586741328 /nfs/dbraw/zinc/74/13/28/586741328.db2.gz TUFBFPUHYRUWHB-LJQANCHMSA-N 2 0 346.475 0.890 20 30 ECEDRP CSc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1C#N ZINC000905463921 586896098 /nfs/dbraw/zinc/89/60/98/586896098.db2.gz BFGJMZSFAJHEAA-INIZCTEOSA-N 2 0 334.489 0.978 20 30 ECEDRP C=C(C[NH+](C)C)C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000804627905 587089224 /nfs/dbraw/zinc/08/92/24/587089224.db2.gz SYSBQPQCMRTKIE-UHFFFAOYSA-N 2 0 327.469 0.690 20 30 ECEDRP COC(=O)c1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C#N)n1 ZINC000866011561 589714818 /nfs/dbraw/zinc/71/48/18/589714818.db2.gz HOSAUJUKQZOASS-ZIAGYGMSSA-N 2 0 345.447 0.915 20 30 ECEDRP N#Cc1cc(C[NH+]2C[C@H]3C[C@@]3(O)C2)cc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000880420574 590391426 /nfs/dbraw/zinc/39/14/26/590391426.db2.gz JPSZEPMPQQGSPZ-QGFMHUBQSA-N 2 0 325.412 0.691 20 30 ECEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876849262 590419351 /nfs/dbraw/zinc/41/93/51/590419351.db2.gz XRNOIVAPKJNIDG-FUHWJXTLSA-N 2 0 339.443 0.251 20 30 ECEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597734 611359276 /nfs/dbraw/zinc/35/92/76/611359276.db2.gz IAQTZPIANZBULW-XWTMOSNGSA-N 2 0 331.460 0.653 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000930007751 611379527 /nfs/dbraw/zinc/37/95/27/611379527.db2.gz XRXAKFJEYIRECD-UHFFFAOYSA-N 2 0 336.480 0.601 20 30 ECEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000157389369 609724021 /nfs/dbraw/zinc/72/40/21/609724021.db2.gz VWSLFTWSDGFSPX-KRWDZBQOSA-N 2 0 339.528 0.852 20 30 ECEDRP C=C1[C@H](C(=O)NCC[C@H](C)[NH+](C)C)[C@@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000912394548 609953633 /nfs/dbraw/zinc/95/36/33/609953633.db2.gz TVSWJELAEVNDDA-DARAHFNDSA-N 2 0 338.496 0.701 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000918906296 610023190 /nfs/dbraw/zinc/02/31/90/610023190.db2.gz MJWSMPSONSOBKU-KRWDZBQOSA-N 2 0 347.507 0.552 20 30 ECEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941414344 610303362 /nfs/dbraw/zinc/30/33/62/610303362.db2.gz REZBUFLKFVGTFM-AEFFLSMTSA-N 2 0 348.491 0.254 20 30 ECEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946839627 611188102 /nfs/dbraw/zinc/18/81/02/611188102.db2.gz GMBHAYOVVQYNRM-CALCHBBNSA-N 2 0 333.476 0.901 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1=O ZINC000969846475 732435821 /nfs/dbraw/zinc/43/58/21/732435821.db2.gz VNXXRZKWMWKHCA-OWCLPIDISA-N 2 0 336.480 0.550 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3snnc3C)C2)CC1 ZINC000970792544 733943636 /nfs/dbraw/zinc/94/36/36/733943636.db2.gz NNCAPJFVENFGCD-OAHLLOKOSA-N 2 0 347.488 0.882 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)C1=O ZINC001211278156 734245418 /nfs/dbraw/zinc/24/54/18/734245418.db2.gz PYGPVMXUNLQYCO-HOTGVXAUSA-N 2 0 336.480 0.694 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H](C)F)C[C@H]2O)CC1 ZINC001078227130 782523471 /nfs/dbraw/zinc/52/34/71/782523471.db2.gz KJGXJBFEOPALAM-NUEKZKHPSA-N 2 0 325.428 0.241 20 30 ECEDRP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104676386 739457433 /nfs/dbraw/zinc/45/74/33/739457433.db2.gz HVELGPVPLSJTNX-BZUAXINKSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]12 ZINC001026373936 741104041 /nfs/dbraw/zinc/10/40/41/741104041.db2.gz WFCSCOLHESVYHL-HYVNUMGLSA-N 2 0 329.448 0.518 20 30 ECEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1 ZINC001105326729 741809935 /nfs/dbraw/zinc/80/99/35/741809935.db2.gz DERIVDHWTCTCQO-CQSZACIVSA-N 2 0 332.452 0.669 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1=O ZINC000997014829 743132467 /nfs/dbraw/zinc/13/24/67/743132467.db2.gz LHAVXRMHVLHFPO-CVEARBPZSA-N 2 0 336.480 0.694 20 30 ECEDRP Cc1nnc(CNC(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)=[NH+]C2CC2)n1C ZINC000261967796 743195972 /nfs/dbraw/zinc/19/59/72/743195972.db2.gz LVYCDXISDGRZNR-SMDDNHRTSA-N 2 0 331.468 0.946 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000997183260 743325038 /nfs/dbraw/zinc/32/50/38/743325038.db2.gz JCSFKSOQBIKZTM-RDJZCZTQSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC000997362900 743534329 /nfs/dbraw/zinc/53/43/29/743534329.db2.gz DQWRVQBYATUVAS-INIZCTEOSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000997588866 743693521 /nfs/dbraw/zinc/69/35/21/743693521.db2.gz HVNWOCPBELZNCD-HNNXBMFYSA-N 2 0 331.464 0.908 20 30 ECEDRP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3CC)nn2)C1 ZINC001000044559 745225111 /nfs/dbraw/zinc/22/51/11/745225111.db2.gz WOGOAZRFGSOLGZ-IAGOWNOFSA-N 2 0 344.463 0.649 20 30 ECEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665361 746169122 /nfs/dbraw/zinc/16/91/22/746169122.db2.gz LKPLIRMGNDAYRR-FNYPPERVSA-N 2 0 331.460 0.842 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1=O ZINC000984802907 746973409 /nfs/dbraw/zinc/97/34/09/746973409.db2.gz FHKRSZZJIYLJEB-VQHPVUNQSA-N 2 0 348.491 0.600 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC000985154067 747476772 /nfs/dbraw/zinc/47/67/72/747476772.db2.gz BIJPEXXDBGDBJK-DJIMGWMZSA-N 2 0 346.475 0.095 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001088154419 747546969 /nfs/dbraw/zinc/54/69/69/747546969.db2.gz LWSVWVLIESIACX-SJORKVTESA-N 2 0 333.476 0.901 20 30 ECEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]2C1 ZINC000979721305 748285249 /nfs/dbraw/zinc/28/52/49/748285249.db2.gz YPYYYOMRXHRYPQ-YESZJQIVSA-N 2 0 343.475 0.908 20 30 ECEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC000979721301 748285519 /nfs/dbraw/zinc/28/55/19/748285519.db2.gz YPYYYOMRXHRYPQ-GVDBMIGSSA-N 2 0 343.475 0.908 20 30 ECEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262553042 748440007 /nfs/dbraw/zinc/44/00/07/748440007.db2.gz ZMTVHQJBRWTALS-CQSZACIVSA-N 2 0 333.436 0.820 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000985790438 749107925 /nfs/dbraw/zinc/10/79/25/749107925.db2.gz HHLIOXWBZNYENP-WBVHZDCISA-N 2 0 348.491 0.648 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCCN1S(C)(=O)=O ZINC000262659764 749222033 /nfs/dbraw/zinc/22/20/33/749222033.db2.gz MQBBYZOXFDACBD-KGLIPLIRSA-N 2 0 345.513 0.189 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001168139001 749541560 /nfs/dbraw/zinc/54/15/60/749541560.db2.gz WMOUFTJWCTVRTE-JKSUJKDBSA-N 2 0 348.491 0.601 20 30 ECEDRP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001029914104 749586534 /nfs/dbraw/zinc/58/65/34/749586534.db2.gz QWPALEQHKCSBNJ-HOTGVXAUSA-N 2 0 345.447 0.450 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCn3cccn3)[C@@H]2C)CC1 ZINC000987573245 750975378 /nfs/dbraw/zinc/97/53/78/750975378.db2.gz ZIUCMNLKQRGCRK-FUHWJXTLSA-N 2 0 343.475 0.807 20 30 ECEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493410 762200043 /nfs/dbraw/zinc/20/00/43/762200043.db2.gz 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LWBBTKMKZKOCNA-XHDPSFHLSA-N 2 0 331.468 0.804 20 30 ECEDRP C[NH+]1CCN(c2cc(CNC(=[NH2+])N3CCSCC3)ccn2)CC1 ZINC000261977608 743239476 /nfs/dbraw/zinc/23/94/76/743239476.db2.gz GQUQWFDTTWRJGS-UHFFFAOYSA-N 2 0 334.493 0.697 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3nncs3)C2)CC1 ZINC001027233372 743243702 /nfs/dbraw/zinc/24/37/02/743243702.db2.gz BASVHDOOEZTWTC-CQSZACIVSA-N 2 0 347.488 0.821 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3nncs3)C2)CC1 ZINC001027233371 743244028 /nfs/dbraw/zinc/24/40/28/743244028.db2.gz BASVHDOOEZTWTC-AWEZNQCLSA-N 2 0 347.488 0.821 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3nc(C)no3)C2)CC1 ZINC001027233641 743245116 /nfs/dbraw/zinc/24/51/16/743245116.db2.gz GYPCAOSWNLARKT-HNNXBMFYSA-N 2 0 345.447 0.661 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H]2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC000998197197 744044893 /nfs/dbraw/zinc/04/48/93/744044893.db2.gz KNKJALQWQUTWTE-QGZVFWFLSA-N 2 0 348.491 0.520 20 30 ECEDRP 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C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261661138 751982199 /nfs/dbraw/zinc/98/21/99/751982199.db2.gz ARWVRHFVPCATCH-GDBMZVCRSA-N 2 0 337.512 0.745 20 30 ECEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001000693227 745704763 /nfs/dbraw/zinc/70/47/63/745704763.db2.gz PVDFLMZPDQOVLU-UHFFFAOYSA-N 2 0 329.448 0.830 20 30 ECEDRP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647913 746569605 /nfs/dbraw/zinc/56/96/05/746569605.db2.gz ZZSFDPDMRIPOKU-TVRKMHQQSA-N 2 0 331.460 0.701 20 30 ECEDRP C#CCNCc1cn([C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC001098723208 747717512 /nfs/dbraw/zinc/71/75/12/747717512.db2.gz VTHDVCQNYCOCRU-MRXNPFEDSA-N 2 0 330.436 0.116 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001020818452 752208557 /nfs/dbraw/zinc/20/85/57/752208557.db2.gz NEHOWDFJWZOAJR-ULQDDVLXSA-N 2 0 348.491 0.742 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001003056729 748125385 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344.463 0.239 20 30 ECEDRP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372489 753671461 /nfs/dbraw/zinc/67/14/61/753671461.db2.gz JTFCGWZEZMMQPW-UHFFFAOYSA-N 2 0 332.452 0.813 20 30 ECEDRP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001098682751 753684406 /nfs/dbraw/zinc/68/44/06/753684406.db2.gz GEGPALOTYRUTGX-KRWDZBQOSA-N 2 0 344.463 0.649 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001168291019 754037484 /nfs/dbraw/zinc/03/74/84/754037484.db2.gz NXTULSLIOPOKGY-IYBDPMFKSA-N 2 0 348.491 0.485 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@@H]3CCOC3)CC2)CC1 ZINC000989734715 754365403 /nfs/dbraw/zinc/36/54/03/754365403.db2.gz AASLLBWBOWDAOG-KRWDZBQOSA-N 2 0 333.476 0.902 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCn3cccn3)C[C@H]2C)CC1 ZINC000989828773 754498275 /nfs/dbraw/zinc/49/82/75/754498275.db2.gz IPAWCURUHCIMRD-SJLPKXTDSA-N 2 0 343.475 0.807 20 30 ECEDRP 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334.468 0.212 20 30 ECEDRP [NH2+]=C(NO)[C@H]1CCCCN1CC#CCN1CCCC[C@@H]1C(=[NH2+])NO ZINC000367462200 438211627 /nfs/dbraw/zinc/21/16/27/438211627.db2.gz DRHZMGZAWHVION-ZIAGYGMSSA-N 2 0 336.440 0.611 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C(C)C ZINC000419571694 438363098 /nfs/dbraw/zinc/36/30/98/438363098.db2.gz PFEUJPHZEBKKNL-CVEARBPZSA-N 2 0 336.480 0.751 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000491021803 439323839 /nfs/dbraw/zinc/32/38/39/439323839.db2.gz NRHHTZYYABQUQN-UHFFFAOYSA-N 2 0 334.508 0.864 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CC1 ZINC000491221036 439352588 /nfs/dbraw/zinc/35/25/88/439352588.db2.gz SIUALKBCUYHJRU-QGZVFWFLSA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000491483640 439392314 /nfs/dbraw/zinc/39/23/14/439392314.db2.gz CXZQJDJQJRFKMV-UHFFFAOYSA-N 2 0 335.496 0.457 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000570147681 439395436 /nfs/dbraw/zinc/39/54/36/439395436.db2.gz HQOJRYKHRDFBML-LJQANCHMSA-N 2 0 348.491 0.745 20 30 ECEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000594427087 439561073 /nfs/dbraw/zinc/56/10/73/439561073.db2.gz STPCWSCOKJKFCU-HUUCEWRRSA-N 2 0 335.452 0.068 20 30 ECEDRP C[NH+](CC(=O)NCC#CCNC(=O)C[N@@H+](C)C1CCC1)C1CCC1 ZINC000629978036 440822845 /nfs/dbraw/zinc/82/28/45/440822845.db2.gz GBHUPYXHBJIXHE-UHFFFAOYSA-N 2 0 334.464 0.191 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccnc1C#N ZINC000563587125 322330482 /nfs/dbraw/zinc/33/04/82/322330482.db2.gz YUYLTFVFRRMCMO-UHFFFAOYSA-N 2 0 325.438 0.067 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621846259 546576391 /nfs/dbraw/zinc/57/63/91/546576391.db2.gz YQSSKFDXECGSTI-RDTXWAMCSA-N 2 0 334.464 0.483 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013413 548255637 /nfs/dbraw/zinc/25/56/37/548255637.db2.gz DKUPIVZHHCILEI-CQSZACIVSA-N 2 0 336.480 0.600 20 30 ECEDRP C[NH+](C)CCCN1C(=O)C[C@@H](N2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000899253139 586478563 /nfs/dbraw/zinc/47/85/63/586478563.db2.gz KLXRBQDQXNISCT-OAHLLOKOSA-N 2 0 349.431 0.403 20 30 ECEDRP N#Cc1ccc([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000819003257 587464136 /nfs/dbraw/zinc/46/41/36/587464136.db2.gz CNTGEUIPBONTPH-IAGOWNOFSA-N 2 0 330.432 0.769 20 30 ECEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000844194067 589101797 /nfs/dbraw/zinc/10/17/97/589101797.db2.gz WADCEQHMOIWZDM-HYVNUMGLSA-N 3 0 338.415 0.029 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846166798 589189726 /nfs/dbraw/zinc/18/97/26/589189726.db2.gz CUWHQPIKDZYCIJ-ULQDDVLXSA-N 2 0 336.480 0.869 20 30 ECEDRP CN1CC[NH+](CC2CCN(C(=O)C#CC3CC[NH2+]CC3)CC2)CC1 ZINC000852884170 589521831 /nfs/dbraw/zinc/52/18/31/589521831.db2.gz URRQMDQHERLGAS-UHFFFAOYSA-N 2 0 332.492 0.475 20 30 ECEDRP COCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876734698 590405423 /nfs/dbraw/zinc/40/54/23/590405423.db2.gz IUKFQTFYYMAEPB-SFHVURJKSA-N 2 0 342.443 0.972 20 30 ECEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000876744432 590408141 /nfs/dbraw/zinc/40/81/41/590408141.db2.gz SPNZCNSGINFKRX-BQFCYCMXSA-N 2 0 340.427 0.724 20 30 ECEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000877145999 590440764 /nfs/dbraw/zinc/44/07/64/590440764.db2.gz OMJCLEOOTHGSJT-OLZOCXBDSA-N 2 0 328.844 0.268 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C)C(C)C ZINC000884614465 590872793 /nfs/dbraw/zinc/87/27/93/590872793.db2.gz NURXBODSZYEMBV-OWCLPIDISA-N 2 0 336.480 0.749 20 30 ECEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000104174703 591053215 /nfs/dbraw/zinc/05/32/15/591053215.db2.gz PLFPUTSUIXDMHD-IRXDYDNUSA-N 3 0 338.544 0.649 20 30 ECEDRP N#CC[C@@H](O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 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ZINC000997435600 743615440 /nfs/dbraw/zinc/61/54/40/743615440.db2.gz WJVANGUCNUXXAC-HZPDHXFCSA-N 2 0 335.492 0.929 20 30 ECEDRP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@@]2(C)C1 ZINC000982282804 751861319 /nfs/dbraw/zinc/86/13/19/751861319.db2.gz ICEDEUIYYBGQJP-JFRXWTBNSA-N 2 0 331.460 0.653 20 30 ECEDRP C#CCC[N@H+]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977301204 744846410 /nfs/dbraw/zinc/84/64/10/744846410.db2.gz GPRKYOLFNMXJPP-INIZCTEOSA-N 2 0 331.464 0.908 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000999832252 744927341 /nfs/dbraw/zinc/92/73/41/744927341.db2.gz BDXQJAHLGQLPAX-UYSNPLJNSA-N 2 0 334.464 0.448 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC000999877054 744985805 /nfs/dbraw/zinc/98/58/05/744985805.db2.gz XXFMTDMBEXNTFD-OFLPRAFFSA-N 2 0 346.475 0.141 20 30 ECEDRP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)nn2)C1 ZINC001000011407 745179767 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RLMXPRRYFDRLQC-FPAYPSAMSA-N 2 0 335.492 0.928 20 30 ECEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[NH+](CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661980 755373000 /nfs/dbraw/zinc/37/30/00/755373000.db2.gz LUTLZRMNQUFSIU-RWQQGDIJSA-N 2 0 335.492 0.928 20 30 ECEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@@H]12 ZINC000990737014 755801454 /nfs/dbraw/zinc/80/14/54/755801454.db2.gz FVEBHKHBXFENBX-SJLPKXTDSA-N 2 0 329.448 0.805 20 30 ECEDRP C#CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001105679968 755974123 /nfs/dbraw/zinc/97/41/23/755974123.db2.gz NKEKYXZYEYJQKR-HDICACEKSA-N 2 0 332.492 0.711 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+]4CCCC4)[C@@H]3C2)C1=O ZINC001076575000 756663370 /nfs/dbraw/zinc/66/33/70/756663370.db2.gz VMLPUWIQXRMJJE-GVDBMIGSSA-N 2 0 346.475 0.402 20 30 ECEDRP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107450730 758597197 /nfs/dbraw/zinc/59/71/97/758597197.db2.gz LUMCGTMGJNYDFB-GPMSIDNRSA-N 2 0 348.491 0.437 20 30 ECEDRP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001049484084 758794298 /nfs/dbraw/zinc/79/42/98/758794298.db2.gz DPVKTHSZCLJJOO-IAGOWNOFSA-N 2 0 329.448 0.757 20 30 ECEDRP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049611312 758992557 /nfs/dbraw/zinc/99/25/57/758992557.db2.gz OMSKXWQVTXUGDP-RVKOJVRFSA-N 2 0 329.444 0.548 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC=C(C)C)C[C@@H]2O)CC1 ZINC001047638337 759374209 /nfs/dbraw/zinc/37/42/09/759374209.db2.gz NKFYFKOWDYLOIC-ROUUACIJSA-N 2 0 333.476 0.801 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106282081 768065641 /nfs/dbraw/zinc/06/56/41/768065641.db2.gz SRBMIILMFCVDFG-INMHGKMJSA-N 2 0 338.496 0.559 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(C)c3)C2)CC1 ZINC001016331727 766133026 /nfs/dbraw/zinc/13/30/26/766133026.db2.gz KWCJSXVJKJFPRD-SFHVURJKSA-N 2 0 343.475 0.498 20 30 ECEDRP 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C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070194581 783632271 /nfs/dbraw/zinc/63/22/71/783632271.db2.gz CUGWAXYLGXKEEB-XHSDSOJGSA-N 2 0 330.436 0.147 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219911 783684702 /nfs/dbraw/zinc/68/47/02/783684702.db2.gz RBHXIHATIUGYSI-PMPSAXMXSA-N 2 0 332.452 0.680 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219910 783684748 /nfs/dbraw/zinc/68/47/48/783684748.db2.gz RBHXIHATIUGYSI-OAGGEKHMSA-N 2 0 332.452 0.680 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070433008 784057787 /nfs/dbraw/zinc/05/77/87/784057787.db2.gz XYYQEKKVWSHSDW-HNNXBMFYSA-N 2 0 341.459 0.934 20 30 ECEDRP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001070434192 784061088 /nfs/dbraw/zinc/06/10/88/784061088.db2.gz OUUXKJHNZBWSOJ-LSDHHAIUSA-N 2 0 329.448 0.790 20 30 ECEDRP 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0.095 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266995301 836579850 /nfs/dbraw/zinc/57/98/50/836579850.db2.gz QRPDCUFGLUKLID-HUUCEWRRSA-N 2 0 344.459 0.594 20 30 ECEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267002214 836595830 /nfs/dbraw/zinc/59/58/30/836595830.db2.gz GSHXOXOWKTVFPZ-SJORKVTESA-N 2 0 348.491 0.438 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267044614 836671582 /nfs/dbraw/zinc/67/15/82/836671582.db2.gz KFZNLJNHQPCXCC-GJZGRUSLSA-N 2 0 334.464 0.047 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H]2CCc3ncnn32)CC1 ZINC001267117276 836812769 /nfs/dbraw/zinc/81/27/69/836812769.db2.gz PHRRRPDOOBOGPK-MRXNPFEDSA-N 2 0 344.463 0.159 20 30 ECEDRP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267302530 837167823 /nfs/dbraw/zinc/16/78/23/837167823.db2.gz FPPRHHQKEUQIQF-HNNXBMFYSA-N 2 0 336.480 0.152 20 30 ECEDRP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001267302703 837168006 /nfs/dbraw/zinc/16/80/06/837168006.db2.gz GYCDQUXHYITZPU-IAGOWNOFSA-N 2 0 348.491 0.437 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267596921 837901761 /nfs/dbraw/zinc/90/17/61/837901761.db2.gz RKTRIVQZLXWYSC-CVEARBPZSA-N 2 0 338.496 0.798 20 30 ECEDRP CC[N@H+](C)CCC(=O)N(C)CCN1CCN(CC#CCOC)CC1 ZINC001267618401 838050277 /nfs/dbraw/zinc/05/02/77/838050277.db2.gz NVXLRVUAZIRHQL-UHFFFAOYSA-N 2 0 338.496 0.054 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702713 838300440 /nfs/dbraw/zinc/30/04/40/838300440.db2.gz IJJQZDSDMZRZII-HZPDHXFCSA-N 2 0 346.475 0.000 20 30 ECEDRP CC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000329646104 285187492 /nfs/dbraw/zinc/18/74/92/285187492.db2.gz IVBUIIVHKLVZAH-HNNXBMFYSA-N 2 0 325.501 0.858 20 30 ECEDRP C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CCN1C1CC[NH+](C)CC1 ZINC000330828948 254643851 /nfs/dbraw/zinc/64/38/51/254643851.db2.gz IHWVBGZJBIVBAI-INIZCTEOSA-N 2 0 335.496 0.849 20 30 ECEDRP N#Cc1ccc2ncc(C[NH2+]CCCN3CCC[C@@H]3C(N)=O)n2c1 ZINC000344206583 268224991 /nfs/dbraw/zinc/22/49/91/268224991.db2.gz GCUBQFXIKFMWSP-OAHLLOKOSA-N 2 0 326.404 0.635 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000152377692 436727478 /nfs/dbraw/zinc/72/74/78/436727478.db2.gz IBWWTIPAMISCMA-KRWDZBQOSA-N 2 0 346.475 0.097 20 30 ECEDRP [NH2+]=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000264130786 437016416 /nfs/dbraw/zinc/01/64/16/437016416.db2.gz YAUKAANUMLJCQB-UHFFFAOYSA-N 3 0 332.452 0.241 20 30 ECEDRP C[NH+]=C(NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)NCc1ccco1 ZINC000264051923 437015425 /nfs/dbraw/zinc/01/54/25/437015425.db2.gz MRIDCCGKPLLIQK-HNNXBMFYSA-N 2 0 335.452 0.887 20 30 ECEDRP NC(=O)C[C@@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000341880662 303258102 /nfs/dbraw/zinc/25/81/02/303258102.db2.gz GRKAILLEOLPUJL-HOTGVXAUSA-N 2 0 334.464 0.450 20 30 ECEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000330139113 437458689 /nfs/dbraw/zinc/45/86/89/437458689.db2.gz OSFSRLCDFNISNU-GDBMZVCRSA-N 2 0 349.479 0.376 20 30 ECEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418758241 438183053 /nfs/dbraw/zinc/18/30/53/438183053.db2.gz FINBXHDITUDGTB-QGZVFWFLSA-N 2 0 345.447 0.620 20 30 ECEDRP [NH2+]=C(NO)[C@H]1CCCCN1CC#CCN1CCCC[C@H]1C(=[NH2+])NO ZINC000367462199 438213259 /nfs/dbraw/zinc/21/32/59/438213259.db2.gz DRHZMGZAWHVION-OKILXGFUSA-N 2 0 336.440 0.611 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000419724020 438368801 /nfs/dbraw/zinc/36/88/01/438368801.db2.gz GTZWLBUFYRSMKX-USXIJHARSA-N 2 0 348.491 0.729 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419734091 438369015 /nfs/dbraw/zinc/36/90/15/438369015.db2.gz VBJCTAUPUZRUQD-GOEBONIOSA-N 2 0 336.480 0.777 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000557732970 438803878 /nfs/dbraw/zinc/80/38/78/438803878.db2.gz JWQMIIQHSRPXBU-KRWDZBQOSA-N 2 0 348.491 0.840 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000490648914 439283073 /nfs/dbraw/zinc/28/30/73/439283073.db2.gz DCRMIBKROAZDQJ-INIZCTEOSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000491304225 439364510 /nfs/dbraw/zinc/36/45/10/439364510.db2.gz FCUHYDORTPVMNP-LJQANCHMSA-N 2 0 329.444 0.695 20 30 ECEDRP N#Cc1ccc(N2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)nc1 ZINC000600722175 439695600 /nfs/dbraw/zinc/69/56/00/439695600.db2.gz GTBFJIQNVDDBIA-KRWDZBQOSA-N 2 0 329.448 0.968 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)N2CN(CC[NH+](C)C)C(=O)[C@@H]2C)CC1 ZINC000645232765 440768234 /nfs/dbraw/zinc/76/82/34/440768234.db2.gz PWWABSQDXBKHPY-AWEZNQCLSA-N 2 0 337.468 0.398 20 30 ECEDRP C=C(CNC(=O)C[NH+](C)C1CCC1)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000630016236 440833069 /nfs/dbraw/zinc/83/30/69/440833069.db2.gz GEUGUWIAIOYXHF-UHFFFAOYSA-N 2 0 336.480 0.744 20 30 ECEDRP C=CCCn1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)nn1 ZINC000657491209 441009895 /nfs/dbraw/zinc/00/98/95/441009895.db2.gz VRSDQNTZXDNGTN-UHFFFAOYSA-N 2 0 348.495 0.740 20 30 ECEDRP N#Cc1ccc(OC[C@@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000564452286 322375629 /nfs/dbraw/zinc/37/56/29/322375629.db2.gz DMNWWTNGVYMUNP-SJORKVTESA-N 2 0 333.432 0.734 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000793720210 578937573 /nfs/dbraw/zinc/93/75/73/578937573.db2.gz QHQUHPNOAMUMPT-HNNXBMFYSA-N 2 0 336.480 0.744 20 30 ECEDRP C#CCN(C(=O)[C@@H](C)[NH+](C)C)C1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000831550655 588433162 /nfs/dbraw/zinc/43/31/62/588433162.db2.gz GKPYTGKAIOMTHT-HUUCEWRRSA-N 2 0 336.480 0.339 20 30 ECEDRP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849595473 589342161 /nfs/dbraw/zinc/34/21/61/589342161.db2.gz HUMJBLNOLOJYAB-SJORKVTESA-N 2 0 331.464 0.527 20 30 ECEDRP C#CCN1CCN(C(=O)C[NH+]2[C@@H](C)CC(C(=O)OC)C[C@@H]2C)CC1 ZINC000860188312 589751320 /nfs/dbraw/zinc/75/13/20/589751320.db2.gz LPLIQTXMRSBYBA-GJZGRUSLSA-N 2 0 335.448 0.426 20 30 ECEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000876841248 590418306 /nfs/dbraw/zinc/41/83/06/590418306.db2.gz NRIWAMTVZINXLP-NXEZZACHSA-N 2 0 328.766 0.409 20 30 ECEDRP C[C@@H]1C[NH+](CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@@H](C)O1 ZINC000884183690 590766047 /nfs/dbraw/zinc/76/60/47/590766047.db2.gz UDUWZRFGZRKJLK-FTRJEVOPSA-N 2 0 334.464 0.741 20 30 ECEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)C2 ZINC000884462724 590834649 /nfs/dbraw/zinc/83/46/49/590834649.db2.gz MWEYBCWDBJUSGP-FVRSWCFKSA-N 3 0 340.431 0.569 20 30 ECEDRP C=C(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000910406849 609719185 /nfs/dbraw/zinc/71/91/85/609719185.db2.gz XAQVMWCPPQTTEU-UHFFFAOYSA-N 2 0 338.496 0.407 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000911235263 609834015 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0.761 20 30 ECEDRP C#CCN(C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000929401063 611751704 /nfs/dbraw/zinc/75/17/04/611751704.db2.gz AEMHIJDTNOFVAU-INIZCTEOSA-N 2 0 348.491 0.533 20 30 ECEDRP C#CCN(C(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC[NH+](C)CC1 ZINC000929566894 611765474 /nfs/dbraw/zinc/76/54/74/611765474.db2.gz GXBKKEKYICURLG-IRXDYDNUSA-N 2 0 346.475 0.285 20 30 ECEDRP C#CCN(C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000929610348 611770503 /nfs/dbraw/zinc/77/05/03/611770503.db2.gz ZKNOVQOZNPXBAQ-INIZCTEOSA-N 2 0 348.491 0.533 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC000953907169 612427240 /nfs/dbraw/zinc/42/72/40/612427240.db2.gz YSDQVLPPYRLHQP-QGZVFWFLSA-N 2 0 346.475 0.095 20 30 ECEDRP C=CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001111984036 738737557 /nfs/dbraw/zinc/73/75/57/738737557.db2.gz WJWGKIAHVQXVTL-VKJFTORMSA-N 2 0 334.464 0.211 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167639510 736206333 /nfs/dbraw/zinc/20/63/33/736206333.db2.gz AAMSARVHLYHSOU-HNNXBMFYSA-N 2 0 336.480 0.342 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)CC1 ZINC001023128564 736524234 /nfs/dbraw/zinc/52/42/34/736524234.db2.gz KEKRNAGEWCOPRN-CALCHBBNSA-N 2 0 343.475 0.811 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001024268482 737864555 /nfs/dbraw/zinc/86/45/55/737864555.db2.gz VUXWSXKEOVPKJR-IAGOWNOFSA-N 2 0 348.491 0.697 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC001024277910 737878154 /nfs/dbraw/zinc/87/81/54/737878154.db2.gz WOAGJWFYVWILNV-HNNXBMFYSA-N 2 0 345.447 0.743 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001026140508 740410645 /nfs/dbraw/zinc/41/06/45/740410645.db2.gz WZZCNNMMXUMACR-QFXBJFAPSA-N 2 0 346.475 0.162 20 30 ECEDRP CC[NH+](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104809838 740543567 /nfs/dbraw/zinc/54/35/67/740543567.db2.gz RKCFUGLYVBCWRL-HUUCEWRRSA-N 2 0 337.468 0.042 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001104914193 740914456 /nfs/dbraw/zinc/91/44/56/740914456.db2.gz ZHGXBDSIAUSTFD-HZPDHXFCSA-N 2 0 348.491 0.459 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+]C[C@@H](C)O)C2)CC1 ZINC001105062575 741267935 /nfs/dbraw/zinc/26/79/35/741267935.db2.gz YIZJIACEHYKSRN-JFIYKMOQSA-N 2 0 335.492 0.787 20 30 ECEDRP C#CCC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC000982150607 751656170 /nfs/dbraw/zinc/65/61/70/751656170.db2.gz MBCKVODQOYRFJL-KRWDZBQOSA-N 2 0 333.476 0.902 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CCn3cncn3)C2)CC1 ZINC001029003238 743156681 /nfs/dbraw/zinc/15/66/81/743156681.db2.gz JPPKGOIHAFIJJU-MRXNPFEDSA-N 2 0 344.463 0.061 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027218049 743195536 /nfs/dbraw/zinc/19/55/36/743195536.db2.gz WQTVDXXFWZLWOQ-HZPDHXFCSA-N 2 0 334.464 0.307 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001027234401 743247424 /nfs/dbraw/zinc/24/74/24/743247424.db2.gz VUUSZFMVRRJUFN-WBVHZDCISA-N 2 0 346.475 0.048 20 30 ECEDRP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262012200 743427588 /nfs/dbraw/zinc/42/75/88/743427588.db2.gz WVEBHYRCTMDRQO-GXTWGEPZSA-N 2 0 331.468 0.762 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)CC1 ZINC000997364389 743535935 /nfs/dbraw/zinc/53/59/35/743535935.db2.gz MMISJEUYIRBPPP-UHFFFAOYSA-N 2 0 343.475 0.846 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CC(N)=O)CC2)CC1 ZINC000997875365 743863211 /nfs/dbraw/zinc/86/32/11/743863211.db2.gz ZCODTKHWVVGEDL-AWEZNQCLSA-N 2 0 334.464 0.034 20 30 ECEDRP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)c3ccn4c[nH+]cc4c3)nn2)C1 ZINC001000005144 745172233 /nfs/dbraw/zinc/17/22/33/745172233.db2.gz 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FCNVHDLJCFPDGY-HZPDHXFCSA-N 2 0 348.491 0.294 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625343 739263766 /nfs/dbraw/zinc/26/37/66/739263766.db2.gz HVODABZSVQNLHX-BZUAXINKSA-N 2 0 338.496 0.703 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001025630004 739795060 /nfs/dbraw/zinc/79/50/60/739795060.db2.gz NZDIYZXYKXGXJL-GOEBONIOSA-N 2 0 334.464 0.034 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1C[C@H](C)OC2(CC[NH+](CC#C)CC2)C1 ZINC001098604771 740171219 /nfs/dbraw/zinc/17/12/19/740171219.db2.gz ACVFSBPLHLBAFQ-ROUUACIJSA-N 2 0 343.471 0.799 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240433 741531736 /nfs/dbraw/zinc/53/17/36/741531736.db2.gz NERJNZNQQBKBSS-KRWDZBQOSA-N 2 0 344.463 0.647 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@H]3CCN(C)C3=O)C2)CC1 ZINC001029003031 743155767 /nfs/dbraw/zinc/15/57/67/743155767.db2.gz GZBOHYGSMKCONF-WBVHZDCISA-N 2 0 346.475 0.000 20 30 ECEDRP CC[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262012205 743427098 /nfs/dbraw/zinc/42/70/98/743427098.db2.gz WVEBHYRCTMDRQO-TZMCWYRMSA-N 2 0 331.468 0.762 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCn3cccn3)CC2)CC1 ZINC000997365020 743535827 /nfs/dbraw/zinc/53/58/27/743535827.db2.gz POANCZCOALOUNO-UHFFFAOYSA-N 2 0 343.475 0.809 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001000520481 745563018 /nfs/dbraw/zinc/56/30/18/745563018.db2.gz FKZGEMBYEODQHV-DLBZAZTESA-N 2 0 346.475 0.616 20 30 ECEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978163983 745977070 /nfs/dbraw/zinc/97/70/70/745977070.db2.gz BXFASVNRRYOCIG-QQXKLLMISA-N 2 0 345.487 0.661 20 30 ECEDRP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H]1CC ZINC001087665362 746168663 /nfs/dbraw/zinc/16/86/63/746168663.db2.gz LKPLIRMGNDAYRR-RWBIUQBRSA-N 2 0 331.460 0.842 20 30 ECEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H](OC)C1 ZINC001213446858 747961821 /nfs/dbraw/zinc/96/18/21/747961821.db2.gz WFTDIXXFMFLDQH-HZPDHXFCSA-N 2 0 341.496 0.982 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CCCO)C[C@@H]3C2)CC1 ZINC000980255156 749261179 /nfs/dbraw/zinc/26/11/79/749261179.db2.gz PBGGYSAIBNPSFJ-GBESFXJTSA-N 2 0 347.503 0.931 20 30 ECEDRP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CN(C)CCO2)[C@H](OC)C1 ZINC001212070916 752470458 /nfs/dbraw/zinc/47/04/58/752470458.db2.gz CPHVSCDUOJTYKV-BRWVUGGUSA-N 2 0 339.480 0.879 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3nnc(C)[nH]3)C2)CC1 ZINC001021090561 752531273 /nfs/dbraw/zinc/53/12/73/752531273.db2.gz YYUVRGSGGCIJME-DAXOMENPSA-N 2 0 344.463 0.756 20 30 ECEDRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2ccccc2C#N)C1 ZINC001051493088 762199793 /nfs/dbraw/zinc/19/97/93/762199793.db2.gz HIUUIAQUSJOQIW-QZTJIDSGSA-N 2 0 342.443 0.969 20 30 ECEDRP 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758631168 /nfs/dbraw/zinc/63/11/68/758631168.db2.gz UNLHECWMPXMEDL-RYUDHWBXSA-N 2 0 332.242 0.464 20 30 ECEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049611311 758992170 /nfs/dbraw/zinc/99/21/70/758992170.db2.gz OMSKXWQVTXUGDP-FNYPPERVSA-N 2 0 329.444 0.548 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3C[C@@H](C)O)CC1 ZINC001049918805 759402224 /nfs/dbraw/zinc/40/22/24/759402224.db2.gz MOTHSKUHJIXKCI-NXHRZFHOSA-N 2 0 333.476 0.778 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC3CCOCC3)C2)CC1 ZINC001032207246 759629945 /nfs/dbraw/zinc/62/99/45/759629945.db2.gz JMNKZDZKOSJLGH-UHFFFAOYSA-N 2 0 333.476 0.806 20 30 ECEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)CC1 ZINC001050526941 760432298 /nfs/dbraw/zinc/43/22/98/760432298.db2.gz VSRHAZZUZCRMRM-SJORKVTESA-N 2 0 331.460 0.797 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001106984757 764236878 /nfs/dbraw/zinc/23/68/78/764236878.db2.gz 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ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnnn3CC)C2)CC1 ZINC001019813338 771828150 /nfs/dbraw/zinc/82/81/50/771828150.db2.gz AZBAFAWJLVUABS-INIZCTEOSA-N 2 0 344.463 0.334 20 30 ECEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026870 790373142 /nfs/dbraw/zinc/37/31/42/790373142.db2.gz LOEVWMRVWFHCMV-OAGGEKHMSA-N 2 0 332.452 0.680 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+]([C@@H](C)C(=O)NC)CC2)CC1 ZINC001045646664 775961051 /nfs/dbraw/zinc/96/10/51/775961051.db2.gz LMAMUVDNFVEMPY-HNNXBMFYSA-N 2 0 348.491 0.437 20 30 ECEDRP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685268 776040083 /nfs/dbraw/zinc/04/00/83/776040083.db2.gz GNKPTPOCBAEZAF-IAGOWNOFSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@H](C[NH2+]CC3CC3)C2)CC1 ZINC001078510868 780060361 /nfs/dbraw/zinc/06/03/61/780060361.db2.gz CLYSYNLDLMEEFC-GOSISDBHSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH+]1CCC2(CN(C(=O)C3CC[NH+](C)CC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079257972 780931048 /nfs/dbraw/zinc/93/10/48/780931048.db2.gz HEMGHSNINUSGSM-ZWKOTPCHSA-N 2 0 345.487 0.901 20 30 ECEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1CC ZINC001037843141 783634840 /nfs/dbraw/zinc/63/48/40/783634840.db2.gz FIGTUHOCCRTITR-JKSUJKDBSA-N 2 0 331.464 0.908 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070311007 783816250 /nfs/dbraw/zinc/81/62/50/783816250.db2.gz IPSGPYAYAJBUCW-XHSDSOJGSA-N 2 0 332.452 0.538 20 30 ECEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071098337 784538497 /nfs/dbraw/zinc/53/84/97/784538497.db2.gz JZCIGTSQTVVSRA-WDYCEAGBSA-N 2 0 333.476 0.947 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001070710736 784581081 /nfs/dbraw/zinc/58/10/81/784581081.db2.gz QIDUJPIGZPHFLX-HZPDHXFCSA-N 2 0 343.475 0.976 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001072275956 785948857 /nfs/dbraw/zinc/94/88/57/785948857.db2.gz PUWOCYDKWSQANJ-WBVHZDCISA-N 2 0 348.491 0.246 20 30 ECEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603822 786755812 /nfs/dbraw/zinc/75/58/12/786755812.db2.gz PNGITJCRVSJIOX-OAHLLOKOSA-N 2 0 335.452 0.451 20 30 ECEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073710378 787020537 /nfs/dbraw/zinc/02/05/37/787020537.db2.gz YSRARLIDGWKDKD-NDUQDZPOSA-N 2 0 335.448 0.243 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC3CC3)CCCO2)CC1 ZINC001073899425 787474627 /nfs/dbraw/zinc/47/46/27/787474627.db2.gz STKXWRYHTICKHF-SFHVURJKSA-N 2 0 333.476 0.949 20 30 ECEDRP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267488945 837553234 /nfs/dbraw/zinc/55/32/34/837553234.db2.gz SDBFBHJVZZLAOP-LSDHHAIUSA-N 2 0 337.468 0.279 20 30 ECEDRP C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898363 836449908 /nfs/dbraw/zinc/44/99/08/836449908.db2.gz VHBOGSLSUPITQO-JKSUJKDBSA-N 2 0 334.464 0.048 20 30 ECEDRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001267069924 836714984 /nfs/dbraw/zinc/71/49/84/836714984.db2.gz GISUJIMXKCPDDY-DOTOQJQBSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]Cc2ccn(C)n2)CC1 ZINC001267156213 836863368 /nfs/dbraw/zinc/86/33/68/836863368.db2.gz ZCUWRLUHJFRVPG-HNNXBMFYSA-N 2 0 331.464 0.750 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267993487 838936990 /nfs/dbraw/zinc/93/69/90/838936990.db2.gz KQOSKHOGFCXHRJ-HZPDHXFCSA-N 2 0 348.491 0.744 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC001268040911 839153490 /nfs/dbraw/zinc/15/34/90/839153490.db2.gz DCUGONJVGOKSDF-HUUCEWRRSA-N 2 0 336.480 0.483 20 30 ECEDRP N#Cc1c(Cl)cccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420465665 209372019 /nfs/dbraw/zinc/37/20/19/209372019.db2.gz YXRHVZVAZKTSJP-UHFFFAOYSA-N 2 0 330.841 0.900 20 30 ECEDRP C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C[NH+]1CCN(C)CC1 ZINC000329820052 298245632 /nfs/dbraw/zinc/24/56/32/298245632.db2.gz YBZCCSBRWADBPV-BZUAXINKSA-N 2 0 325.501 0.856 20 30 ECEDRP COC[C@@H](C)NC(=[NH2+])NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000104155576 436557102 /nfs/dbraw/zinc/55/71/02/436557102.db2.gz DPZZKDDRLPXJIR-MRXNPFEDSA-N 2 0 333.480 0.743 20 30 ECEDRP COC[C@H](C)NC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000104181860 436557350 /nfs/dbraw/zinc/55/73/50/436557350.db2.gz QPWIYCQOBOHYCY-ZDUSSCGKSA-N 2 0 335.452 0.417 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C(C)C ZINC000271123606 436677459 /nfs/dbraw/zinc/67/74/59/436677459.db2.gz JHWAZAIORDIGAV-RDJZCZTQSA-N 2 0 338.496 0.901 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)c1 ZINC000130578901 436837781 /nfs/dbraw/zinc/83/77/81/436837781.db2.gz PIRRKUHFMQXBQC-UHFFFAOYSA-N 2 0 331.420 0.449 20 30 ECEDRP C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262754850 436941498 /nfs/dbraw/zinc/94/14/98/436941498.db2.gz DCRJSSBGKXUDEE-HOTGVXAUSA-N 2 0 343.479 0.670 20 30 ECEDRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264093741 437017648 /nfs/dbraw/zinc/01/76/48/437017648.db2.gz LXRKFLRZCQVCDA-HNNXBMFYSA-N 2 0 331.468 0.788 20 30 ECEDRP NC(=O)C[C@H]1CCCC[NH+]1CC#CC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000341880663 303261312 /nfs/dbraw/zinc/26/13/12/303261312.db2.gz GRKAILLEOLPUJL-HZPDHXFCSA-N 2 0 334.464 0.450 20 30 ECEDRP C[C@H](NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)[C@H](C)N1CCOCC1 ZINC000328889881 437279227 /nfs/dbraw/zinc/27/92/27/437279227.db2.gz RGMJHLHFWSIGLT-JONQDZQNSA-N 2 0 340.468 0.415 20 30 ECEDRP C[NH+](C)[C@@]1(CNC(=O)NCC2(O)CC[NH+](C)CC2)CCSC1 ZINC000330079041 437452354 /nfs/dbraw/zinc/45/23/54/437452354.db2.gz OARQAVJFSWATEW-CQSZACIVSA-N 2 0 330.498 0.384 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)CC1 ZINC000343882634 437679899 /nfs/dbraw/zinc/67/98/99/437679899.db2.gz DYZFMFAAEQPFQT-UHFFFAOYSA-N 2 0 336.480 0.697 20 30 ECEDRP C[C@@H]1CC[C@H](C(N)=O)C[NH+]1CC#CC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000351471185 438263552 /nfs/dbraw/zinc/26/35/52/438263552.db2.gz ILNPAOIIGRWMMZ-WCVJEAGWSA-N 2 0 334.464 0.161 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)C(C)C ZINC000419564725 438363414 /nfs/dbraw/zinc/36/34/14/438363414.db2.gz CUVAMYMOHKMMFK-HOTGVXAUSA-N 2 0 336.480 0.622 20 30 ECEDRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1(C)C ZINC000514668484 438824343 /nfs/dbraw/zinc/82/43/43/438824343.db2.gz DYOXKEDNAHWKPB-KRWDZBQOSA-N 2 0 346.475 0.914 20 30 ECEDRP CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)N[C@](C)(C#N)C3CC3)C2)CC1 ZINC000525686553 439211852 /nfs/dbraw/zinc/21/18/52/439211852.db2.gz ANJCGENKBWCMBJ-IEBWSBKVSA-N 2 0 347.507 0.895 20 30 ECEDRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000592504914 439243390 /nfs/dbraw/zinc/24/33/90/439243390.db2.gz DENHBOVQYTVCIX-INIZCTEOSA-N 2 0 339.447 0.859 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000491297947 439365076 /nfs/dbraw/zinc/36/50/76/439365076.db2.gz SNKQBUDAFNGJIN-UHFFFAOYSA-N 2 0 336.480 0.695 20 30 ECEDRP C#CCOCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000784255783 578750078 /nfs/dbraw/zinc/75/00/78/578750078.db2.gz YUVYDJOENKDZSN-UHFFFAOYSA-N 2 0 345.447 0.543 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510497 586781042 /nfs/dbraw/zinc/78/10/42/586781042.db2.gz QZYPXCFDHBSECF-BMFZPTHFSA-N 2 0 349.479 0.287 20 30 ECEDRP C=CCN(CC=C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903711065 586803374 /nfs/dbraw/zinc/80/33/74/586803374.db2.gz PXKDKLSBXVCAHH-CALCHBBNSA-N 2 0 346.475 0.614 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000838622261 586818572 /nfs/dbraw/zinc/81/85/72/586818572.db2.gz BAZJBEUEOJOTIW-KRWDZBQOSA-N 2 0 335.496 0.363 20 30 ECEDRP N#Cc1ccc([C@@H](O)C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003258 587463947 /nfs/dbraw/zinc/46/39/47/587463947.db2.gz CNTGEUIPBONTPH-IRXDYDNUSA-N 2 0 330.432 0.769 20 30 ECEDRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3C[NH2+]C[C@H]3C#N)CC2)c1 ZINC000844195461 589102311 /nfs/dbraw/zinc/10/23/11/589102311.db2.gz UFPAISKCHSYEOV-AEFFLSMTSA-N 2 0 341.459 0.735 20 30 ECEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864703 589519439 /nfs/dbraw/zinc/51/94/39/589519439.db2.gz FHFLHOSHSUNJDO-INIZCTEOSA-N 2 0 334.464 0.048 20 30 ECEDRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852885112 589521850 /nfs/dbraw/zinc/52/18/50/589521850.db2.gz MTEREWHGCOBCQV-GOSISDBHSA-N 2 0 332.492 0.618 20 30 ECEDRP C#CCN(C(=O)CCN1CC[NH+](C(C)C)CC1)C1CC[NH+](C)CC1 ZINC000886574401 590860368 /nfs/dbraw/zinc/86/03/68/590860368.db2.gz DRISGJYSAZEDOG-UHFFFAOYSA-N 2 0 334.508 0.959 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000884643144 590881953 /nfs/dbraw/zinc/88/19/53/590881953.db2.gz YKAIVAXXFHVRDN-OAHLLOKOSA-N 2 0 336.480 0.647 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)[C@H](C)C2)CC1 ZINC000948071570 611408623 /nfs/dbraw/zinc/40/86/23/611408623.db2.gz ZANAMXTUCOPMAH-GDBMZVCRSA-N 2 0 334.464 0.047 20 30 ECEDRP C=C(CC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000908164493 609646106 /nfs/dbraw/zinc/64/61/06/609646106.db2.gz NPRGGQHPWDIVNN-MQVJKMGUSA-N 2 0 336.480 0.694 20 30 ECEDRP C#CCN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000910886359 609773615 /nfs/dbraw/zinc/77/36/15/609773615.db2.gz UGTZQSGILZEGIN-MRXNPFEDSA-N 2 0 334.464 0.095 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000911236872 609829608 /nfs/dbraw/zinc/82/96/08/609829608.db2.gz VIOWGQQGSXXFIO-VQIMIIECSA-N 2 0 348.491 0.792 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000913920153 609834372 /nfs/dbraw/zinc/83/43/72/609834372.db2.gz IXMXRUKSBGULHC-QGZVFWFLSA-N 2 0 336.480 0.740 20 30 ECEDRP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C#N ZINC000912536661 609966717 /nfs/dbraw/zinc/96/67/17/609966717.db2.gz YSNXPXOOAHPBOI-HNNXBMFYSA-N 2 0 337.468 0.233 20 30 ECEDRP C#CCN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000923324397 611229793 /nfs/dbraw/zinc/22/97/93/611229793.db2.gz GUUYWKKBAOOKAK-GOSISDBHSA-N 2 0 348.491 0.979 20 30 ECEDRP C=C(Cl)C[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098561186 735471337 /nfs/dbraw/zinc/47/13/37/735471337.db2.gz VVBCUJAJRQXSMS-CQSZACIVSA-N 2 0 329.872 0.976 20 30 ECEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001098534756 733104582 /nfs/dbraw/zinc/10/45/82/733104582.db2.gz DOPHTBZKCHNPSW-UHFFFAOYSA-N 2 0 330.432 0.680 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2CN([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC000970919405 734087801 /nfs/dbraw/zinc/08/78/01/734087801.db2.gz DNEWTVUJDMQMFL-GJZGRUSLSA-N 2 0 348.491 0.245 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN([C@H](C)C(=O)N(C)C)C2)CC1 ZINC000970919406 734087826 /nfs/dbraw/zinc/08/78/26/734087826.db2.gz DNEWTVUJDMQMFL-HUUCEWRRSA-N 2 0 348.491 0.245 20 30 ECEDRP 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20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001027233329 743244095 /nfs/dbraw/zinc/24/40/95/743244095.db2.gz ABLPDZKNUDHWGP-IRXDYDNUSA-N 2 0 333.476 0.806 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3cnn(C)n3)C2)CC1 ZINC001027233606 743244114 /nfs/dbraw/zinc/24/41/14/743244114.db2.gz GLMSCLSKSFHIAK-OAHLLOKOSA-N 2 0 344.463 0.098 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3nc(C)no3)C2)CC1 ZINC001027233642 743245031 /nfs/dbraw/zinc/24/50/31/743245031.db2.gz GYPCAOSWNLARKT-OAHLLOKOSA-N 2 0 345.447 0.661 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3nnc(C)[nH]3)C2)CC1 ZINC001027234284 743247383 /nfs/dbraw/zinc/24/73/83/743247383.db2.gz UIZBTHAXESPSSN-OAHLLOKOSA-N 2 0 344.463 0.396 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000997183262 743324857 /nfs/dbraw/zinc/32/48/57/743324857.db2.gz JCSFKSOQBIKZTM-WBVHZDCISA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1=O 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AZNWLYPNEWHGFI-LPHOPBHVSA-N 2 0 348.491 0.697 20 30 ECEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069757 766869482 /nfs/dbraw/zinc/86/94/82/766869482.db2.gz IOIUYCMQYAIACR-IBGZPJMESA-N 2 0 346.519 0.960 20 30 ECEDRP C=C(Br)C[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575802 767047253 /nfs/dbraw/zinc/04/72/53/767047253.db2.gz BWPMWPLSWFRTGC-UHFFFAOYSA-N 2 0 344.257 0.673 20 30 ECEDRP C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106581418 768460779 /nfs/dbraw/zinc/46/07/79/768460779.db2.gz CBPPJYSBBKSKTB-FXUDXRNXSA-N 2 0 349.479 0.041 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001106784805 768960681 /nfs/dbraw/zinc/96/06/81/768960681.db2.gz MXEKDSDZHHPSCC-OWCLPIDISA-N 2 0 338.496 0.703 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001018972969 770437255 /nfs/dbraw/zinc/43/72/55/770437255.db2.gz YWMOJTIJZRZZTM-HOCLYGCPSA-N 2 0 334.464 0.448 20 30 ECEDRP 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C#CC[NH+]1CCC2(CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001040779390 783424269 /nfs/dbraw/zinc/42/42/69/783424269.db2.gz HZKKESLIAIEHHF-GNZRSQJKSA-N 2 0 343.471 0.797 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001070226232 783696186 /nfs/dbraw/zinc/69/61/86/783696186.db2.gz WMGOFSNWBZPIQY-CVEARBPZSA-N 2 0 337.387 0.767 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C(C)C)[C@@H](n3ccnn3)C2)CC1 ZINC001070333734 783840986 /nfs/dbraw/zinc/84/09/86/783840986.db2.gz RVMSCGDVHKKVPS-SJORKVTESA-N 2 0 344.463 0.373 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001070399282 783965905 /nfs/dbraw/zinc/96/59/05/783965905.db2.gz IFDXGPOKOBAYQZ-HOCLYGCPSA-N 2 0 329.448 0.933 20 30 ECEDRP C=CCC[NH+]1CCNC(=O)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071015486 784421504 /nfs/dbraw/zinc/42/15/04/784421504.db2.gz GXMDIWRNENLFDF-MRXNPFEDSA-N 2 0 336.480 0.555 20 30 ECEDRP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267488940 837552905 /nfs/dbraw/zinc/55/29/05/837552905.db2.gz SDBFBHJVZZLAOP-CABCVRRESA-N 2 0 337.468 0.279 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001267568385 837791198 /nfs/dbraw/zinc/79/11/98/837791198.db2.gz UESCPKPPTSMEEG-MRXNPFEDSA-N 2 0 331.464 0.910 20 30 ECEDRP C=CCOCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001267576227 837829323 /nfs/dbraw/zinc/82/93/23/837829323.db2.gz UIDHAPFELQTKLL-QGZVFWFLSA-N 2 0 338.496 0.217 20 30 ECEDRP C=CCNC(=O)CN(CC)CCNC(=O)[C@H]1CCn2c(C)ncc2C1 ZINC001266417571 835822435 /nfs/dbraw/zinc/82/24/35/835822435.db2.gz BTUYXOWXWDZKHD-HNNXBMFYSA-N 2 0 347.463 0.494 20 30 ECEDRP C=CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266486767 835886500 /nfs/dbraw/zinc/88/65/00/835886500.db2.gz UEUVHTMGDWUVJF-OVYGPGRDSA-N 2 0 348.491 0.693 20 30 ECEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001266551096 835975805 /nfs/dbraw/zinc/97/58/05/835975805.db2.gz LEUJMNJISKNRDW-JKSUJKDBSA-N 2 0 336.480 0.601 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001267201511 836975953 /nfs/dbraw/zinc/97/59/53/836975953.db2.gz PZWFJSPLYXIXNP-HNNXBMFYSA-N 2 0 348.491 0.294 20 30 ECEDRP C[NH+]1CCN(Cc2ccc(CNC(=[NH2+])N3CCOCC3)cc2)CC1 ZINC000264151991 254514319 /nfs/dbraw/zinc/51/43/19/254514319.db2.gz ZLNABSWFSISJLY-UHFFFAOYSA-N 2 0 331.464 0.581 20 30 ECEDRP CC[NH+]1CCC(CCNC(=[NH+]C)N2CCN(C3CC3)C(=O)C2)CC1 ZINC000262823740 254511417 /nfs/dbraw/zinc/51/14/17/254511417.db2.gz XSXVIRAXHPXPBV-UHFFFAOYSA-N 2 0 335.496 0.990 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000491671151 254926661 /nfs/dbraw/zinc/92/66/61/254926661.db2.gz RRRJLYBIGUOGAW-UHFFFAOYSA-N 2 0 328.416 0.342 20 30 ECEDRP N#Cc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000528391002 268302633 /nfs/dbraw/zinc/30/26/33/268302633.db2.gz QMPQLJGMSWVUJJ-SJLPKXTDSA-N 2 0 345.443 0.952 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000077823487 436254709 /nfs/dbraw/zinc/25/47/09/436254709.db2.gz SSVIHVOLBVZMFG-UHFFFAOYSA-N 3 0 325.501 0.772 20 30 ECEDRP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000104181862 436558145 /nfs/dbraw/zinc/55/81/45/436558145.db2.gz QPWIYCQOBOHYCY-CYBMUJFWSA-N 2 0 335.452 0.417 20 30 ECEDRP C[NH+]=C(NC[C@@H]1CCC[N@@H+]1C)N1CCN(C(=O)c2ccco2)CC1 ZINC000113999639 436639521 /nfs/dbraw/zinc/63/95/21/436639521.db2.gz ZLMNUWWHJDWRPM-AWEZNQCLSA-N 2 0 333.436 0.707 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261932490 436896817 /nfs/dbraw/zinc/89/68/17/436896817.db2.gz BSOGTOUAYOXTDN-HZPDHXFCSA-N 2 0 344.463 0.110 20 30 ECEDRP C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262754853 436941598 /nfs/dbraw/zinc/94/15/98/436941598.db2.gz DCRJSSBGKXUDEE-HZPDHXFCSA-N 2 0 343.479 0.670 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc2c(c1)OCO2 ZINC000262754174 436942003 /nfs/dbraw/zinc/94/20/03/436942003.db2.gz AQBWVNBDPLDXLY-HNNXBMFYSA-N 2 0 345.447 0.422 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(S(N)(=O)=O)c1 ZINC000264075577 437015237 /nfs/dbraw/zinc/01/52/37/437015237.db2.gz FONYXQOWOLFVAH-CYBMUJFWSA-N 2 0 339.465 0.223 20 30 ECEDRP C=CCNC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267411998 437327962 /nfs/dbraw/zinc/32/79/62/437327962.db2.gz INKKRSRGNOHADU-MRXNPFEDSA-N 2 0 329.448 0.974 20 30 ECEDRP CN1CCO[C@@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)C[C@H]21 ZINC000329992842 437442712 /nfs/dbraw/zinc/44/27/12/437442712.db2.gz XXNSWVAPFQUTSP-HUUCEWRRSA-N 2 0 333.436 0.691 20 30 ECEDRP CN1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000330174703 437464974 /nfs/dbraw/zinc/46/49/74/437464974.db2.gz IMSVRSVTAVAEGW-BZUAXINKSA-N 2 0 340.468 0.198 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000343795025 437660791 /nfs/dbraw/zinc/66/07/91/437660791.db2.gz WDGHZWHIGACUDV-HNNXBMFYSA-N 2 0 336.480 0.553 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000343911064 437694038 /nfs/dbraw/zinc/69/40/38/437694038.db2.gz MLOKIRNISLNWKU-INIZCTEOSA-N 2 0 336.480 0.696 20 30 ECEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000331296420 437736030 /nfs/dbraw/zinc/73/60/30/437736030.db2.gz NBDCAUBMHQPLBL-UYSNPLJNSA-N 2 0 325.501 0.856 20 30 ECEDRP C[NH+]1CCC(N2CC[C@@H](Nc3nccc(C#N)c3[N+](=O)[O-])C2)CC1 ZINC000376666493 438288138 /nfs/dbraw/zinc/28/81/38/438288138.db2.gz SFPKMHJHBCJEKK-CYBMUJFWSA-N 2 0 330.392 1.442 20 30 ECEDRP COC(=O)[C@@]1(C)CC[NH+](CC#CC[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000375373439 438252841 /nfs/dbraw/zinc/25/28/41/438252841.db2.gz MHOYMHFTNRDYOC-ROUUACIJSA-N 2 0 336.432 0.760 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)C(C)C ZINC000419570397 438361825 /nfs/dbraw/zinc/36/18/25/438361825.db2.gz NJHWWSPYIQTCLX-HOTGVXAUSA-N 2 0 336.480 0.751 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000369273830 438446174 /nfs/dbraw/zinc/44/61/74/438446174.db2.gz JXGZDPKEYHWKBU-KRWDZBQOSA-N 2 0 332.492 0.616 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000553330652 438750156 /nfs/dbraw/zinc/75/01/56/438750156.db2.gz OWCAMXOARRAPSO-MRXNPFEDSA-N 2 0 334.464 0.450 20 30 ECEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000491813229 439457515 /nfs/dbraw/zinc/45/75/15/439457515.db2.gz GSALIRXSNQXEPG-SFHVURJKSA-N 2 0 349.523 0.751 20 30 ECEDRP CC[NH+]1CCN([C@H]2CCN(Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000584232648 439565496 /nfs/dbraw/zinc/56/54/96/439565496.db2.gz IVHPLFQFZUFUHN-KRWDZBQOSA-N 2 0 339.447 0.813 20 30 ECEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000572381727 439578008 /nfs/dbraw/zinc/57/80/08/439578008.db2.gz ZANLLNJSMXYLNY-FVQHAEBGSA-N 2 0 327.432 0.849 20 30 ECEDRP CC(C)[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)N1CC[NH+](C)CC1 ZINC000574685104 439720737 /nfs/dbraw/zinc/72/07/37/439720737.db2.gz ZAPUDBCLYSOVMG-IAGOWNOFSA-N 2 0 325.501 0.054 20 30 ECEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000600729282 439695865 /nfs/dbraw/zinc/69/58/65/439695865.db2.gz XGEMIWXYVZIXPC-KRWDZBQOSA-N 2 0 346.475 0.914 20 30 ECEDRP C=CC[C@@]1(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CCC[NH2+]1 ZINC000638856516 440634265 /nfs/dbraw/zinc/63/42/65/440634265.db2.gz NMXHSQXPZPZHHN-YJBOKZPZSA-N 2 0 334.464 0.496 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656310685 440761297 /nfs/dbraw/zinc/76/12/97/440761297.db2.gz CWPLGJJMZARFRE-DLBZAZTESA-N 2 0 348.491 0.886 20 30 ECEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000578741225 322872907 /nfs/dbraw/zinc/87/29/07/322872907.db2.gz MHTNAKUXKCBGSV-RDJZCZTQSA-N 2 0 332.448 0.523 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CCC)C2)CC1 ZINC000668835453 547761737 /nfs/dbraw/zinc/76/17/37/547761737.db2.gz ATPUWBHMCWGFIK-MRXNPFEDSA-N 2 0 336.480 0.744 20 30 ECEDRP C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867282883 589007486 /nfs/dbraw/zinc/00/74/86/589007486.db2.gz VVGIEMYSVLXRQV-HZPDHXFCSA-N 2 0 338.496 0.609 20 30 ECEDRP C#CCN(CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC[NH+](C)CC1 ZINC000902540642 586741076 /nfs/dbraw/zinc/74/10/76/586741076.db2.gz TUFBFPUHYRUWHB-IBGZPJMESA-N 2 0 346.475 0.890 20 30 ECEDRP C[NH+]=C(NCC(=O)NCC[NH+]1CCCCCC1)NCc1ccco1 ZINC000849102866 589320116 /nfs/dbraw/zinc/32/01/16/589320116.db2.gz DWMVRUFPOGEHAS-UHFFFAOYSA-N 2 0 335.452 0.937 20 30 ECEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2(CC#N)CC2)C[C@H]1C[NH+](C)C ZINC000867591056 589811099 /nfs/dbraw/zinc/81/10/99/589811099.db2.gz YMVFTGHJVCWSBW-HUUCEWRRSA-N 2 0 342.509 0.681 20 30 ECEDRP C=C(C)COCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875382877 590297996 /nfs/dbraw/zinc/29/79/96/590297996.db2.gz VMSPETVGGQSTDV-HZPDHXFCSA-N 2 0 326.485 0.960 20 30 ECEDRP COCC[N@H+](C)CCCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876727775 590404800 /nfs/dbraw/zinc/40/48/00/590404800.db2.gz BXVZFMYLBHXMAL-KRWDZBQOSA-N 2 0 330.432 0.830 20 30 ECEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000876748945 590408540 /nfs/dbraw/zinc/40/85/40/590408540.db2.gz JHEPLEYCWBYDOR-STQMWFEESA-N 2 0 330.860 0.515 20 30 ECEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000876748943 590408928 /nfs/dbraw/zinc/40/89/28/590408928.db2.gz JHEPLEYCWBYDOR-QWHCGFSZSA-N 2 0 330.860 0.515 20 30 ECEDRP C#CCN1CCN(C(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000878744634 590539483 /nfs/dbraw/zinc/53/94/83/590539483.db2.gz VZGNZXRBXMPJEC-UHFFFAOYSA-N 2 0 341.459 0.371 20 30 ECEDRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884309601 590801844 /nfs/dbraw/zinc/80/18/44/590801844.db2.gz ZKMQVGSKTRFEJU-NDUQDZPOSA-N 2 0 334.464 0.695 20 30 ECEDRP C#CCN1CCN(C(=O)C[N@H+](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000887095728 590943051 /nfs/dbraw/zinc/94/30/51/590943051.db2.gz XDFUXFUHCYOWKL-UHFFFAOYSA-N 2 0 343.427 0.667 20 30 ECEDRP C#CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000929959330 611372334 /nfs/dbraw/zinc/37/23/34/611372334.db2.gz MFRKZWYAUAIUSL-AWEZNQCLSA-N 2 0 334.464 0.141 20 30 ECEDRP C#CC[N@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC000948630722 611672715 /nfs/dbraw/zinc/67/27/15/611672715.db2.gz BKSSVCGPEYWXIF-ISXWCOSWSA-N 2 0 331.460 0.796 20 30 ECEDRP C=C(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000908157916 609645984 /nfs/dbraw/zinc/64/59/84/609645984.db2.gz WOTPLCFSKIIPBF-UHFFFAOYSA-N 2 0 338.496 0.943 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000920462224 609684024 /nfs/dbraw/zinc/68/40/24/609684024.db2.gz RTQGGKVPEJHZRA-KRWDZBQOSA-N 2 0 349.523 0.657 20 30 ECEDRP C#CCN(C(=O)C(=O)N(C)CC[N@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000910886568 609773933 /nfs/dbraw/zinc/77/39/33/609773933.db2.gz NRGYLLNJXXWJOA-UHFFFAOYSA-N 2 0 334.464 0.095 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)C(C)C ZINC000911204094 609824616 /nfs/dbraw/zinc/82/46/16/609824616.db2.gz SPJFPMPZICOOMF-BZUAXINKSA-N 2 0 336.480 0.525 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000914016618 609843997 /nfs/dbraw/zinc/84/39/97/609843997.db2.gz BJBVCXSHGFFOCV-UHFFFAOYSA-N 2 0 335.496 0.409 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CCN(C2CN(CC(=C)C)C2)CC1 ZINC000941440219 610316402 /nfs/dbraw/zinc/31/64/02/610316402.db2.gz DDQKGSDZRWMPBT-SFHVURJKSA-N 2 0 330.476 0.489 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)CC2(C)C)CC1 ZINC000941237054 610621008 /nfs/dbraw/zinc/62/10/08/610621008.db2.gz GQNROICIISFBKL-QGZVFWFLSA-N 2 0 335.492 0.931 20 30 ECEDRP CC#CCN1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408361 610722447 /nfs/dbraw/zinc/72/24/47/610722447.db2.gz CEAQNXUZDCLATR-ZWKOTPCHSA-N 2 0 344.503 0.713 20 30 ECEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262010078 735381018 /nfs/dbraw/zinc/38/10/18/735381018.db2.gz WLFCOIIIXCJGSZ-HLLBOEOZSA-N 3 0 336.528 0.270 20 30 ECEDRP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)C1 ZINC001041834992 782308401 /nfs/dbraw/zinc/30/84/01/782308401.db2.gz PBHAQBPICUBVEY-HKUYNNGSSA-N 2 0 333.476 0.902 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cc(C)n(C)n3)C2)CC1 ZINC000970792842 733943495 /nfs/dbraw/zinc/94/34/95/733943495.db2.gz ZFMZMCGDZOLKHL-QGZVFWFLSA-N 2 0 343.475 0.764 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC000970792845 733943731 /nfs/dbraw/zinc/94/37/31/733943731.db2.gz ZLNJPISNLZUHRX-SJLPKXTDSA-N 2 0 333.476 0.949 20 30 ECEDRP C[NH+]1CCC(CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001167389081 734123980 /nfs/dbraw/zinc/12/39/80/734123980.db2.gz FOPWNBPMNUFDKV-UHFFFAOYSA-N 2 0 349.479 0.234 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)CC[NH+](C)C)CC1 ZINC001078201487 782483161 /nfs/dbraw/zinc/48/31/61/782483161.db2.gz YGJLWWJMUNRLRI-HNNXBMFYSA-N 2 0 336.480 0.294 20 30 ECEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)C2CC[NH+](CC#C)CC2)CC1 ZINC001098570345 736110136 /nfs/dbraw/zinc/11/01/36/736110136.db2.gz ACUVACYMUYMSMS-UHFFFAOYSA-N 2 0 331.460 0.250 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227006 782523919 /nfs/dbraw/zinc/52/39/19/782523919.db2.gz DUZLEWQCEVOBRV-KZNAEPCWSA-N 2 0 349.475 0.062 20 30 ECEDRP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262342323 736554833 /nfs/dbraw/zinc/55/48/33/736554833.db2.gz XHRUHSTWFVAMFG-INIZCTEOSA-N 2 0 333.480 0.909 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC001023421650 736809329 /nfs/dbraw/zinc/80/93/29/736809329.db2.gz FXTMETCIWXYZAQ-MSOLQXFVSA-N 2 0 343.475 0.809 20 30 ECEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CN(C)CCO1)C[C@@H](C)O2 ZINC001098577375 736914589 /nfs/dbraw/zinc/91/45/89/736914589.db2.gz CTTDLOQVFDBRIC-HZPDHXFCSA-N 2 0 335.448 0.032 20 30 ECEDRP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939860 738264804 /nfs/dbraw/zinc/26/48/04/738264804.db2.gz WEJATLNVEFITBS-WMZOPIPTSA-N 2 0 339.480 0.738 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001025630005 739795205 /nfs/dbraw/zinc/79/52/05/739795205.db2.gz NZDIYZXYKXGXJL-HOCLYGCPSA-N 2 0 334.464 0.034 20 30 ECEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C3([NH+](C)C)CCC3)C2)nn1 ZINC001105259815 741586762 /nfs/dbraw/zinc/58/67/62/741586762.db2.gz NEQJEXFKOCXEHJ-UHFFFAOYSA-N 2 0 332.452 0.811 20 30 ECEDRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996800286 742888253 /nfs/dbraw/zinc/88/82/53/742888253.db2.gz AALPBKYLIOFBPK-KLAILNCOSA-N 2 0 333.480 0.507 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)C1=O ZINC000997000385 743112150 /nfs/dbraw/zinc/11/21/50/743112150.db2.gz PSWHXWAYJRLASM-WBVHZDCISA-N 2 0 348.491 0.838 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001029003506 743159089 /nfs/dbraw/zinc/15/90/89/743159089.db2.gz MUBPNDXHMWGMFN-DLBZAZTESA-N 2 0 333.476 0.806 20 30 ECEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CC[NH+](C2CC2)CC1 ZINC000261972086 743225176 /nfs/dbraw/zinc/22/51/76/743225176.db2.gz NJGUQQBOGAWJAK-QGZVFWFLSA-N 3 0 334.512 0.168 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001027233875 743245084 /nfs/dbraw/zinc/24/50/84/743245084.db2.gz MNVBGRDKRCKBGB-INIZCTEOSA-N 2 0 343.475 0.703 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)CCC1CCOCC1 ZINC000262017660 743435487 /nfs/dbraw/zinc/43/54/87/743435487.db2.gz YBQCUVQGLDYJRH-MRXNPFEDSA-N 2 0 325.501 0.556 20 30 ECEDRP C#CC[NH+]1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000997794600 743814817 /nfs/dbraw/zinc/81/48/17/743814817.db2.gz SWODILKVGIITGC-HNNXBMFYSA-N 2 0 331.464 0.908 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnnn3C)C2)CC1 ZINC000999871683 744974657 /nfs/dbraw/zinc/97/46/57/744974657.db2.gz YLKAOAIMSAQTMJ-UHFFFAOYSA-N 2 0 344.463 0.239 20 30 ECEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360773 752006432 /nfs/dbraw/zinc/00/64/32/752006432.db2.gz HJHWXSSXNHWCMR-UHFFFAOYSA-N 2 0 330.436 0.423 20 30 ECEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC000978255042 746124811 /nfs/dbraw/zinc/12/48/11/746124811.db2.gz LKHDHJQCWJMUOV-AKHDSKFASA-N 2 0 345.487 0.947 20 30 ECEDRP C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)[C@@H]2C1 ZINC000978258147 746128362 /nfs/dbraw/zinc/12/83/62/746128362.db2.gz RSVSQQPZFAZETH-FJIDUMEYSA-N 2 0 331.460 0.557 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001001263243 746222910 /nfs/dbraw/zinc/22/29/10/746222910.db2.gz IVWGKJNZCWBSSD-DLBZAZTESA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)[C@@H](C)C(N)=O)C2)CC1 ZINC001027694428 746862985 /nfs/dbraw/zinc/86/29/85/746862985.db2.gz YEIRXVCXDYUVKN-HOCLYGCPSA-N 2 0 334.464 0.128 20 30 ECEDRP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088047374 747145174 /nfs/dbraw/zinc/14/51/74/747145174.db2.gz VBKJDALHZYHTTP-ASLPWWTFSA-N 2 0 331.460 0.816 20 30 ECEDRP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC000979721299 748285653 /nfs/dbraw/zinc/28/56/53/748285653.db2.gz YPYYYOMRXHRYPQ-BBWFWOEESA-N 2 0 343.475 0.908 20 30 ECEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])Nc1ccc2c(c1)OCCCO2 ZINC000262553039 748439854 /nfs/dbraw/zinc/43/98/54/748439854.db2.gz ZMTVHQJBRWTALS-AWEZNQCLSA-N 2 0 333.436 0.820 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001003973860 749096144 /nfs/dbraw/zinc/09/61/44/749096144.db2.gz GQXZFOXEMWEJLA-RDJZCZTQSA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1=O ZINC000985790432 749107805 /nfs/dbraw/zinc/10/78/05/749107805.db2.gz HHLIOXWBZNYENP-DOTOQJQBSA-N 2 0 348.491 0.648 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCCCC[C@@H]([NH2+][C@@H](C)C(N)=O)C2)CC1 ZINC001088429893 749197137 /nfs/dbraw/zinc/19/71/37/749197137.db2.gz CKYPAJWAQPUVPB-DOTOQJQBSA-N 2 0 348.491 0.566 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001168139000 749541148 /nfs/dbraw/zinc/54/11/48/749541148.db2.gz WMOUFTJWCTVRTE-HZPDHXFCSA-N 2 0 348.491 0.601 20 30 ECEDRP C#CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005742883 750581754 /nfs/dbraw/zinc/58/17/54/750581754.db2.gz WXXYORZBIOPUSY-URSIVYNOSA-N 2 0 331.460 0.796 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2Cc2cnn(C)c2)CC1 ZINC001028334240 752414347 /nfs/dbraw/zinc/41/43/47/752414347.db2.gz YPUWKPANSVGEFL-GOSISDBHSA-N 2 0 343.475 0.846 20 30 ECEDRP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001098644756 752612794 /nfs/dbraw/zinc/61/27/94/752612794.db2.gz DUEUIECZDUSBDY-JKSUJKDBSA-N 2 0 330.436 0.259 20 30 ECEDRP CN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C2)C1 ZINC001028467478 752761404 /nfs/dbraw/zinc/76/14/04/752761404.db2.gz XBTXPWMKGNZZTB-MSOLQXFVSA-N 2 0 342.443 0.827 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000938096144 753256671 /nfs/dbraw/zinc/25/66/71/753256671.db2.gz WBYHZDQUQGDVKJ-IRXDYDNUSA-N 2 0 346.475 0.143 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCCC[N@H+]3CC)C2)nn1 ZINC001105377153 754473327 /nfs/dbraw/zinc/47/33/27/754473327.db2.gz RSGHANKBOLRSIW-KRWDZBQOSA-N 2 0 344.463 0.649 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnns3)C[C@@H]2C)CC1 ZINC000989828707 754497293 /nfs/dbraw/zinc/49/72/93/754497293.db2.gz HVAHUOUHFCOYBD-DZGCQCFKSA-N 2 0 347.488 0.962 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnnn3C)C[C@@H]2C)CC1 ZINC000989828469 754497807 /nfs/dbraw/zinc/49/78/07/754497807.db2.gz DHSIEEQEPXXURU-HOCLYGCPSA-N 2 0 344.463 0.239 20 30 ECEDRP C=C(C)CC[NH+]1CC(n2cc(CNC(=O)C[NH+]3CCCC3)nn2)C1 ZINC001107235088 758021084 /nfs/dbraw/zinc/02/10/84/758021084.db2.gz BBZRTPCROIFKIF-UHFFFAOYSA-N 2 0 332.452 0.813 20 30 ECEDRP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022451947 758741974 /nfs/dbraw/zinc/74/19/74/758741974.db2.gz HWXCTVGIXJHQLP-VAVUMJPSSA-N 2 0 325.840 0.839 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC001022600767 758937728 /nfs/dbraw/zinc/93/77/28/758937728.db2.gz WRMZRULLPJZFIZ-VIQHNZTISA-N 2 0 348.491 0.740 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001022646294 758982012 /nfs/dbraw/zinc/98/20/12/758982012.db2.gz HRNFCXMZRKXPLW-OWCLPIDISA-N 2 0 334.464 0.352 20 30 ECEDRP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001050100187 759701758 /nfs/dbraw/zinc/70/17/58/759701758.db2.gz VMQGTNXUYISZPZ-VVJOJPPRSA-N 2 0 343.471 0.796 20 30 ECEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1C[NH+]3CCC[C@@H]3CO1)C2 ZINC001048526098 760663506 /nfs/dbraw/zinc/66/35/06/760663506.db2.gz OHDGUKIFEQASTH-ILOCAZANSA-N 2 0 331.460 0.842 20 30 ECEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC[C@@H]3CO1)C2 ZINC001048526096 760664234 /nfs/dbraw/zinc/66/42/34/760664234.db2.gz OHDGUKIFEQASTH-CWQOZTLDSA-N 2 0 331.460 0.842 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+]([C@H](C)C(N)=O)CC3)CC1 ZINC001050765105 760806120 /nfs/dbraw/zinc/80/61/20/760806120.db2.gz JZBPCGBIRQUGDB-OAHLLOKOSA-N 2 0 346.475 0.130 20 30 ECEDRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(C#N)cc3)C2)C1 ZINC001051932868 763376847 /nfs/dbraw/zinc/37/68/47/763376847.db2.gz XATMTGSFQWKYCZ-ROUUACIJSA-N 2 0 342.443 0.827 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001051944303 763412658 /nfs/dbraw/zinc/41/26/58/763412658.db2.gz UVFABYSCJIXZRW-FUHWJXTLSA-N 2 0 349.475 0.185 20 30 ECEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 ZINC001047227658 763816294 /nfs/dbraw/zinc/81/62/94/763816294.db2.gz DZDYBHAUULZJRY-MSOLQXFVSA-N 2 0 333.476 0.901 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@H]3CCNC3=O)CC2)CC1 ZINC001052959012 765415169 /nfs/dbraw/zinc/41/51/69/765415169.db2.gz QFTVURMYHCCAJE-IRXDYDNUSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](C)O)CC1 ZINC001045896229 766478030 /nfs/dbraw/zinc/47/80/30/766478030.db2.gz YVVMKASRPHSIHH-NXHRZFHOSA-N 2 0 333.476 0.778 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC2)C1 ZINC001046053688 766797842 /nfs/dbraw/zinc/79/78/42/766797842.db2.gz ADSYQTSVVQTYDQ-FHWLQOOXSA-N 2 0 346.519 0.959 20 30 ECEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1 ZINC001046063919 766839225 /nfs/dbraw/zinc/83/92/25/766839225.db2.gz BVLLLZACZXUXGT-ROUUACIJSA-N 2 0 332.492 0.570 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](CC(=O)NC)CC3)CC1 ZINC001016984618 767439144 /nfs/dbraw/zinc/43/91/44/767439144.db2.gz GGLBUCOOMBTVQE-MRXNPFEDSA-N 2 0 346.475 0.048 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106602871 768488464 /nfs/dbraw/zinc/48/84/64/768488464.db2.gz VMUVZBRXIKKSRP-OWCLPIDISA-N 2 0 338.496 0.703 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001106728976 768738832 /nfs/dbraw/zinc/73/88/32/768738832.db2.gz BEJCPLGOUOFYLS-NVXWUHKLSA-N 2 0 348.491 0.152 20 30 ECEDRP CC(C)[N@H+](C)CC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055589217 769192378 /nfs/dbraw/zinc/19/23/78/769192378.db2.gz CKFLHMLFJQUUNL-CQSZACIVSA-N 2 0 337.468 0.183 20 30 ECEDRP CCC[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055631291 769301147 /nfs/dbraw/zinc/30/11/47/769301147.db2.gz FQVCQUMTEAGNIG-AWEZNQCLSA-N 2 0 337.468 0.185 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3C[C@]34CCOC4)C2)CC1 ZINC001031434777 771068825 /nfs/dbraw/zinc/06/88/25/771068825.db2.gz DYKDUHXBEQZASR-APWZRJJASA-N 2 0 331.460 0.559 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CCO[C@H](C)C3)C2)CC1 ZINC001031434958 771069580 /nfs/dbraw/zinc/06/95/80/771069580.db2.gz LEBDVUFVDISWTM-HZPDHXFCSA-N 2 0 333.476 0.947 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001019386422 771236317 /nfs/dbraw/zinc/23/63/17/771236317.db2.gz NSEPRXYEVFVATD-JKSUJKDBSA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001020302798 772417929 /nfs/dbraw/zinc/41/79/29/772417929.db2.gz SRCOCCSXCJVHSH-VGWMRTNUSA-N 2 0 334.464 0.494 20 30 ECEDRP C=CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001070015363 790329587 /nfs/dbraw/zinc/32/95/87/790329587.db2.gz UWLQQLFTPARTHB-CVEARBPZSA-N 2 0 332.452 0.538 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnn(C)c2)CC1 ZINC001045321536 775410496 /nfs/dbraw/zinc/41/04/96/775410496.db2.gz VFGSOZSHWGZIGL-SFHVURJKSA-N 2 0 343.475 0.846 20 30 ECEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079248038 780920261 /nfs/dbraw/zinc/92/02/61/780920261.db2.gz DFEVBFISSDHULZ-GVDBMIGSSA-N 2 0 333.476 0.899 20 30 ECEDRP C#CC[NH+]1CCC2(CN(C(=O)C[N@H+]3CC[C@@H](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079259889 780931599 /nfs/dbraw/zinc/93/15/99/780931599.db2.gz UAFKEQITGMXBLR-FGTMMUONSA-N 2 0 345.487 0.901 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258467 783756739 /nfs/dbraw/zinc/75/67/39/783756739.db2.gz WHXOHRNEQYQBFV-ZACQAIPSSA-N 2 0 346.479 0.928 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275278 783780824 /nfs/dbraw/zinc/78/08/24/783780824.db2.gz DJBHXOXULIGFEF-CVEARBPZSA-N 2 0 346.479 0.928 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001070409648 783997176 /nfs/dbraw/zinc/99/71/76/783997176.db2.gz IZLJNUDSBUIFDV-WBVHZDCISA-N 2 0 341.459 0.790 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2CC)C[C@H]1c1cn(C)cn1 ZINC001070568084 784285198 /nfs/dbraw/zinc/28/51/98/784285198.db2.gz YDMZMJXGGOQDOQ-CGTJXYLNSA-N 2 0 343.475 0.812 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001070655554 784507810 /nfs/dbraw/zinc/50/78/10/784507810.db2.gz RMWSGVCRLNGFSM-HUUCEWRRSA-N 2 0 329.448 0.422 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cncn1C ZINC001070664223 784521353 /nfs/dbraw/zinc/52/13/53/784521353.db2.gz DWDAPSVVWRAUOD-HZPDHXFCSA-N 2 0 341.459 0.566 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cncn1C ZINC001070705130 784571760 /nfs/dbraw/zinc/57/17/60/784571760.db2.gz DJMQDOLPDARRHM-IAGOWNOFSA-N 2 0 343.475 0.669 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001266871128 836416767 /nfs/dbraw/zinc/41/67/67/836416767.db2.gz SZFCHXDGASSTOE-HZPDHXFCSA-N 2 0 334.464 0.191 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266951183 836515995 /nfs/dbraw/zinc/51/59/95/836515995.db2.gz ZXPNQWXUZRWXEM-QWHCGFSZSA-N 2 0 341.415 0.489 20 30 ECEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267001586 836592528 /nfs/dbraw/zinc/59/25/28/836592528.db2.gz SRQLXYQBUUETBQ-HZPDHXFCSA-N 2 0 334.464 0.048 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]Cc2ccn(C)n2)CC1 ZINC001267156214 836863423 /nfs/dbraw/zinc/86/34/23/836863423.db2.gz ZCUWRLUHJFRVPG-OAHLLOKOSA-N 2 0 331.464 0.750 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC001267200180 836971003 /nfs/dbraw/zinc/97/10/03/836971003.db2.gz GSMVUIBYBXXOKT-MOPGFXCFSA-N 2 0 343.471 0.736 20 30 ECEDRP C=CCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267275589 837118991 /nfs/dbraw/zinc/11/89/91/837118991.db2.gz XZDJFCAGFOUOFG-HRCADAONSA-N 2 0 336.480 0.600 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC(C)C)C1 ZINC001267296896 837156501 /nfs/dbraw/zinc/15/65/01/837156501.db2.gz XKKRIWNDKQXTKT-IRXDYDNUSA-N 2 0 348.491 0.294 20 30 ECEDRP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267589603 837877614 /nfs/dbraw/zinc/87/76/14/837877614.db2.gz OVGBLMKBUNFBJI-HNNXBMFYSA-N 2 0 336.480 0.411 20 30 ECEDRP C#CCNC(=O)C[NH2+]CCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001267909469 838777206 /nfs/dbraw/zinc/77/72/06/838777206.db2.gz PUCHYWSOORGTID-UHFFFAOYSA-N 2 0 348.491 0.438 20 30 ECEDRP CC[C@@H](C(=O)N1CCC(CC[NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001267915303 838785263 /nfs/dbraw/zinc/78/52/63/838785263.db2.gz FFIOWHVOJZLHLJ-HNNXBMFYSA-N 2 0 337.468 0.185 20 30 ECEDRP COCC#CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001267940096 838824323 /nfs/dbraw/zinc/82/43/23/838824323.db2.gz CTBITMNXXHQLEY-SFHVURJKSA-N 2 0 329.444 0.994 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(=O)N2CCCC2)CC1 ZINC001268015924 838978852 /nfs/dbraw/zinc/97/88/52/838978852.db2.gz WCTRSJVZMRHXQZ-INIZCTEOSA-N 2 0 348.491 0.296 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CCC([NH3+])CC1)C(C)C ZINC000419568860 277847356 /nfs/dbraw/zinc/84/73/56/277847356.db2.gz LKJUHWKFIXCVAT-INIZCTEOSA-N 2 0 336.480 0.751 20 30 ECEDRP COc1ccc(CNC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)cc1OC ZINC000269507000 436667270 /nfs/dbraw/zinc/66/72/70/436667270.db2.gz ZISSFACQHGEZNS-AWEZNQCLSA-N 2 0 333.436 0.108 20 30 ECEDRP C[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000262329711 436924779 /nfs/dbraw/zinc/92/47/79/436924779.db2.gz UTXSGCBBDPGYDM-UHFFFAOYSA-N 2 0 332.452 0.299 20 30 ECEDRP C[NH+]=C(NC[C@@H](C)[N@H+](C)C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261800715 436890616 /nfs/dbraw/zinc/89/06/16/436890616.db2.gz RSXINKZDPOKWMR-CYBMUJFWSA-N 2 0 347.467 0.127 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCOCC2)nc1 ZINC000264074090 437015453 /nfs/dbraw/zinc/01/54/53/437015453.db2.gz GWPRLKNMHBMLEW-MRXNPFEDSA-N 2 0 346.479 0.807 20 30 ECEDRP C[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000264113622 437016495 /nfs/dbraw/zinc/01/64/95/437016495.db2.gz RVRRIYMQKQGLGU-OAHLLOKOSA-N 2 0 331.468 0.645 20 30 ECEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC[N@H+](CC)C2CC2)CC1 ZINC000303991773 437157312 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0.398 20 30 ECEDRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)cc2)CC1 ZINC000834490545 588903317 /nfs/dbraw/zinc/90/33/17/588903317.db2.gz VRNRKSDQVICABX-RDJZCZTQSA-N 2 0 327.432 0.670 20 30 ECEDRP CN1CCC[NH+]=C1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000849111692 589320661 /nfs/dbraw/zinc/32/06/61/589320661.db2.gz AFPQJECHZUKIJB-UHFFFAOYSA-N 2 0 331.468 0.660 20 30 ECEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000852874616 589521166 /nfs/dbraw/zinc/52/11/66/589521166.db2.gz SKAIJCCZQVVZDU-IRXDYDNUSA-N 2 0 346.475 0.096 20 30 ECEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@]3(C(=O)OC)CCC[C@@H]23)CC1 ZINC000880180877 590375345 /nfs/dbraw/zinc/37/53/45/590375345.db2.gz ILOZSIWKEQWMPU-QAPCUYQASA-N 2 0 333.432 0.181 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000884614325 590872912 /nfs/dbraw/zinc/87/29/12/590872912.db2.gz KESDJBZCUULMHO-IXDOHACOSA-N 2 0 348.491 0.764 20 30 ECEDRP C[NH+](C)CC1(O)CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000931488443 611545090 /nfs/dbraw/zinc/54/50/90/611545090.db2.gz SSIZRCVLFSWTDZ-INIZCTEOSA-N 2 0 333.432 0.686 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927630558 611620825 /nfs/dbraw/zinc/62/08/25/611620825.db2.gz NULWWGKOVANCNO-QGZVFWFLSA-N 2 0 334.464 0.637 20 30 ECEDRP COc1ncc(NC(=O)NCCN(C)CCC[NH+](C)C)cc1C#N ZINC000932517780 611636467 /nfs/dbraw/zinc/63/64/67/611636467.db2.gz LMXVTCHHSQBZMZ-UHFFFAOYSA-N 2 0 334.424 0.967 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000913920152 609834231 /nfs/dbraw/zinc/83/42/31/609834231.db2.gz IXMXRUKSBGULHC-KRWDZBQOSA-N 2 0 336.480 0.740 20 30 ECEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC(C)(C)C#N)C[C@H]1C[NH+](C)C ZINC000918537314 610010015 /nfs/dbraw/zinc/01/00/15/610010015.db2.gz PDFNXHSUSRNIMX-ZIAGYGMSSA-N 2 0 330.498 0.537 20 30 ECEDRP C=CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]3c3cncn3C)CC2)C1 ZINC000941571411 610378247 /nfs/dbraw/zinc/37/82/47/610378247.db2.gz VWRNLBOIBMRCRN-IAGOWNOFSA-N 2 0 343.475 0.928 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CCC)C3)CC2)CC1 ZINC000941676878 610449320 /nfs/dbraw/zinc/44/93/20/610449320.db2.gz GIGAVRNKLMKLNK-UHFFFAOYSA-N 2 0 332.492 0.570 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058062 610635967 /nfs/dbraw/zinc/63/59/67/610635967.db2.gz SLAPKFDOVHJQIL-HOTGVXAUSA-N 2 0 331.464 0.908 20 30 ECEDRP C=CCN1CC[C@H]([NH+](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC000971688270 734949175 /nfs/dbraw/zinc/94/91/75/734949175.db2.gz VKNINEAARIZIEP-SJORKVTESA-N 2 0 348.491 0.790 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2cnnn2CC)C1 ZINC000971703631 734964783 /nfs/dbraw/zinc/96/47/83/734964783.db2.gz JXBLDXUTEZKWBC-WBVHZDCISA-N 2 0 344.463 0.428 20 30 ECEDRP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001098569632 736081038 /nfs/dbraw/zinc/08/10/38/736081038.db2.gz VOUFMEVOHYTDAQ-QGZVFWFLSA-N 2 0 337.464 0.016 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001203407437 736126374 /nfs/dbraw/zinc/12/63/74/736126374.db2.gz KNOJKNCVJSFPKP-OAHLLOKOSA-N 2 0 338.496 0.990 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001022981540 736356980 /nfs/dbraw/zinc/35/69/80/736356980.db2.gz UBRRXPMYLQTTJF-ZNMIVQPWSA-N 2 0 332.448 0.106 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnnn3CC)C2)CC1 ZINC001023128714 736524229 /nfs/dbraw/zinc/52/42/29/736524229.db2.gz PVQKTDMOKVIFMB-IYBDPMFKSA-N 2 0 344.463 0.380 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001023759495 737319970 /nfs/dbraw/zinc/31/99/70/737319970.db2.gz GLHQUTLZMBXWGQ-DOTOQJQBSA-N 2 0 348.491 0.424 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001104625344 739263747 /nfs/dbraw/zinc/26/37/47/739263747.db2.gz HVODABZSVQNLHX-OWCLPIDISA-N 2 0 338.496 0.703 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCC=C)C[C@@H]32)CC1 ZINC001083283654 739743087 /nfs/dbraw/zinc/74/30/87/739743087.db2.gz MNRDADHEFUALTB-ZWKOTPCHSA-N 2 0 331.460 0.819 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CCC[C@H]2C)C1=O ZINC001026040884 740326713 /nfs/dbraw/zinc/32/67/13/740326713.db2.gz SVYAEENSVQXUIM-QFXBJFAPSA-N 2 0 346.475 0.304 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001104874068 740774995 /nfs/dbraw/zinc/77/49/95/740774995.db2.gz NDHFRTBFOPKLLD-HZPDHXFCSA-N 2 0 338.496 0.705 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1 ZINC001105240434 741531410 /nfs/dbraw/zinc/53/14/10/741531410.db2.gz NERJNZNQQBKBSS-QGZVFWFLSA-N 2 0 344.463 0.647 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]Cc2cc(OC)no2)C1 ZINC001026893951 742039765 /nfs/dbraw/zinc/03/97/65/742039765.db2.gz RTOQCNXDXKYQMH-ZBFHGGJFSA-N 2 0 346.431 0.719 20 30 ECEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974822460 742218026 /nfs/dbraw/zinc/21/80/26/742218026.db2.gz BEDVOELXCIGFPA-YJTLQXIOSA-N 2 0 331.460 0.700 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3nncn3C)C2)CC1 ZINC001027234282 743247066 /nfs/dbraw/zinc/24/70/66/743247066.db2.gz UHRRYHRLRHTWSD-OAHLLOKOSA-N 2 0 344.463 0.098 20 30 ECEDRP CC[N@@H+]1CC[C@H](CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)C1 ZINC000261984126 743265826 /nfs/dbraw/zinc/26/58/26/743265826.db2.gz POWHJWWGRLPMGT-CYBMUJFWSA-N 2 0 330.498 0.413 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cnns3)CC2)CC1 ZINC000997363728 743535197 /nfs/dbraw/zinc/53/51/97/743535197.db2.gz JAJHFXNDLHPEQA-UHFFFAOYSA-N 2 0 347.488 0.964 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000999878235 744987204 /nfs/dbraw/zinc/98/72/04/744987204.db2.gz RDUDMTBMQZPNSN-OAHLLOKOSA-N 2 0 346.475 0.000 20 30 ECEDRP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3CCC)nn2)C1 ZINC000999987400 745142197 /nfs/dbraw/zinc/14/21/97/745142197.db2.gz NUVBUVNUKULXTA-IAGOWNOFSA-N 2 0 344.463 0.649 20 30 ECEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361037 752068164 /nfs/dbraw/zinc/06/81/64/752068164.db2.gz OHJPHUQRWGOZRG-AWEZNQCLSA-N 2 0 332.452 0.669 20 30 ECEDRP CC#CC[N@H+]1CC=C(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001253664 746211896 /nfs/dbraw/zinc/21/18/96/746211896.db2.gz ZMNNAWYRVJBIRV-UHFFFAOYSA-N 2 0 329.448 0.830 20 30 ECEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]2C1 ZINC001087969878 746763112 /nfs/dbraw/zinc/76/31/12/746763112.db2.gz SPMHIEKOKCDWBP-CVEARBPZSA-N 2 0 329.448 0.472 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cn(C)nn3)C2)CC1 ZINC000985155369 747480690 /nfs/dbraw/zinc/48/06/90/747480690.db2.gz YHPHYMUMQTWCPN-KOMQPUFPSA-N 2 0 344.463 0.145 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1=O ZINC001003626107 748739616 /nfs/dbraw/zinc/73/96/16/748739616.db2.gz MGDUHDFJPWNKKO-DOTOQJQBSA-N 2 0 348.491 0.696 20 30 ECEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262806194 749832720 /nfs/dbraw/zinc/83/27/20/749832720.db2.gz SGXTYLHANJCTSA-HNNXBMFYSA-N 3 0 347.511 0.979 20 30 ECEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC000981783758 751104068 /nfs/dbraw/zinc/10/40/68/751104068.db2.gz DOMFJXBNWRBAFW-IRXDYDNUSA-N 2 0 331.460 0.797 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC001021092724 752533386 /nfs/dbraw/zinc/53/33/86/752533386.db2.gz RQKKKQMWVPHZPC-WKILWMFISA-N 2 0 329.448 0.502 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1=O ZINC001021096358 752537263 /nfs/dbraw/zinc/53/72/63/752537263.db2.gz OUWTVPQQWXAPBD-QAETUUGQSA-N 2 0 348.491 0.885 20 30 ECEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](O)C1 ZINC001083462649 753286768 /nfs/dbraw/zinc/28/67/68/753286768.db2.gz SSDJQRXWPNMPJQ-JQHSSLGASA-N 2 0 333.476 0.826 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+][C@@H](CC)C(N)=O)CC2)CC1 ZINC001168320671 754511939 /nfs/dbraw/zinc/51/19/39/754511939.db2.gz JKIGBUXRGGTFRR-INIZCTEOSA-N 2 0 348.491 0.472 20 30 ECEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C(C)C)C[C@H]1O ZINC001105652232 755192391 /nfs/dbraw/zinc/19/23/91/755192391.db2.gz LGFGZRBWQBUCCO-WOCWXWTJSA-N 2 0 347.503 0.928 20 30 ECEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001077000847 757883347 /nfs/dbraw/zinc/88/33/47/757883347.db2.gz SSDJQRXWPNMPJQ-CGTJXYLNSA-N 2 0 333.476 0.826 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3C[N@H+](CC(N)=O)CC[C@@H]32)CC1 ZINC001021739089 757890463 /nfs/dbraw/zinc/89/04/63/757890463.db2.gz GJYZMATUDTVUQQ-SJORKVTESA-N 2 0 346.475 0.130 20 30 ECEDRP C#CCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000996765926 758765524 /nfs/dbraw/zinc/76/55/24/758765524.db2.gz MMOOQPSLVVPKSL-ABHNRTSZSA-N 2 0 332.492 0.759 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3CCCO)CC1 ZINC001049921087 759406014 /nfs/dbraw/zinc/40/60/14/759406014.db2.gz UZKRWGPGEIVKKK-ROUUACIJSA-N 2 0 333.476 0.779 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC001107079333 759800050 /nfs/dbraw/zinc/80/00/50/759800050.db2.gz YHZQRCZYJXLWKV-QLFBSQMISA-N 2 0 333.436 0.258 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([C@@H](C)[NH2+]Cc3cnon3)C2)CC1 ZINC001048070031 759912594 /nfs/dbraw/zinc/91/25/94/759912594.db2.gz YOSUCBDRJZNJAY-GDBMZVCRSA-N 2 0 345.447 0.741 20 30 ECEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127066112 760687671 /nfs/dbraw/zinc/68/76/71/760687671.db2.gz JNWQFMKJRFSULD-INIZCTEOSA-N 2 0 338.496 0.990 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](Cc3cnn(C)c3)C2)CC1 ZINC001046850558 763231564 /nfs/dbraw/zinc/23/15/64/763231564.db2.gz WICKMQZTNGOHRB-LJQANCHMSA-N 2 0 343.475 0.846 20 30 ECEDRP N#Cc1ccc(C[NH2+]C[C@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)cc1 ZINC001051935887 763386347 /nfs/dbraw/zinc/38/63/47/763386347.db2.gz ZEVNDBWPKJARRD-SFHVURJKSA-N 2 0 342.443 0.971 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCO)CCC2(F)F)CC1 ZINC001046996086 763535892 /nfs/dbraw/zinc/53/58/92/763535892.db2.gz SMVJCVLELVNTLN-HNNXBMFYSA-N 2 0 343.418 0.397 20 30 ECEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052041873 763669866 /nfs/dbraw/zinc/66/98/66/763669866.db2.gz UPQIDSXEOKPNOB-ROUUACIJSA-N 2 0 334.508 0.814 20 30 ECEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107936 763889144 /nfs/dbraw/zinc/88/91/44/763889144.db2.gz IAOFESISDZHWLF-QZTJIDSGSA-N 2 0 332.492 0.570 20 30 ECEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168426340 765180951 /nfs/dbraw/zinc/18/09/51/765180951.db2.gz YBAWZCYDPVCFRL-UHFFFAOYSA-N 2 0 332.448 0.760 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001046050933 766788773 /nfs/dbraw/zinc/78/87/73/766788773.db2.gz SZCODWJGKAEUEX-QGZVFWFLSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC001046055176 766804784 /nfs/dbraw/zinc/80/47/84/766804784.db2.gz UDLOTGTUTWGHSM-QGZVFWFLSA-N 2 0 344.459 0.807 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127260298 766926769 /nfs/dbraw/zinc/92/67/69/766926769.db2.gz AYIPGNWUCBUKRN-SJORKVTESA-N 2 0 348.491 0.767 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+]([C@@H](C)C(N)=O)CC3)CC1 ZINC001016984071 767437983 /nfs/dbraw/zinc/43/79/83/767437983.db2.gz BXVQTPYCWHCQIJ-HOCLYGCPSA-N 2 0 346.475 0.176 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621631 768519934 /nfs/dbraw/zinc/51/99/34/768519934.db2.gz WJCAKKPIFVVKAE-GDBMZVCRSA-N 2 0 336.480 0.315 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839371 770027401 /nfs/dbraw/zinc/02/74/01/770027401.db2.gz DTFJEYAQZVORMY-BZUAXINKSA-N 2 0 336.480 0.150 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1=O ZINC001020161522 772230992 /nfs/dbraw/zinc/23/09/92/772230992.db2.gz GMMFXCUJDPFNQV-LUKYLMHMSA-N 2 0 346.475 0.352 20 30 ECEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001070028912 790382126 /nfs/dbraw/zinc/38/21/26/790382126.db2.gz KYLJXAVGYQLGTO-XHSDSOJGSA-N 2 0 332.452 0.538 20 30 ECEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001045669964 776007595 /nfs/dbraw/zinc/00/75/95/776007595.db2.gz JXCBMERAKRTWKI-ROUUACIJSA-N 2 0 345.487 0.949 20 30 ECEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001045678658 776026421 /nfs/dbraw/zinc/02/64/21/776026421.db2.gz YNFRCHFDDDAXME-QGZVFWFLSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)C2C[NH+](CC[C@@H]3CCOC3)C2)CC1 ZINC001044335804 776178621 /nfs/dbraw/zinc/17/86/21/776178621.db2.gz PGFAEYUYDPDWFJ-MRXNPFEDSA-N 2 0 333.476 0.901 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489309 781618780 /nfs/dbraw/zinc/61/87/80/781618780.db2.gz SWQLZAKDXRDUEA-VXLIZBOYSA-N 2 0 343.471 0.797 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3C[C@H](C)O)CC1 ZINC001040014063 783407969 /nfs/dbraw/zinc/40/79/69/783407969.db2.gz DECBDWABTANNJK-RYQLBKOJSA-N 2 0 333.476 0.778 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cncn1C ZINC001070689527 784555992 /nfs/dbraw/zinc/55/59/92/784555992.db2.gz CCRNOWTTWFSOFL-BZUAXINKSA-N 2 0 331.464 0.974 20 30 ECEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073710375 787020407 /nfs/dbraw/zinc/02/04/07/787020407.db2.gz YSRARLIDGWKDKD-BNQMIIOLSA-N 2 0 335.448 0.243 20 30 ECEDRP C=CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073740143 787093239 /nfs/dbraw/zinc/09/32/39/787093239.db2.gz BWTZJBSZFSLCBY-SJORKVTESA-N 2 0 339.480 0.879 20 30 ECEDRP C=C(C)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073740949 787094794 /nfs/dbraw/zinc/09/47/94/787094794.db2.gz MBABCOLCAWAIBC-IAGOWNOFSA-N 2 0 339.480 0.879 20 30 ECEDRP CC#CC[N@@H+]1CCCO[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073815442 787250077 /nfs/dbraw/zinc/25/00/77/787250077.db2.gz AMCPHNDCMKLGML-QGZVFWFLSA-N 2 0 347.463 0.289 20 30 ECEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C2)C1 ZINC001072811692 788859595 /nfs/dbraw/zinc/85/95/95/788859595.db2.gz BPPHTWKEGGSOLP-KRWDZBQOSA-N 2 0 331.460 0.797 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)C(=O)NC)C3)CC1 ZINC001073457479 789865013 /nfs/dbraw/zinc/86/50/13/789865013.db2.gz RZRPAVLNCBZBMB-OAHLLOKOSA-N 2 0 346.475 0.000 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC2CC2)C1 ZINC001267558151 837767689 /nfs/dbraw/zinc/76/76/89/837767689.db2.gz STZVESIGWDZFMS-WBVHZDCISA-N 2 0 346.475 0.191 20 30 ECEDRP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001266374417 835787236 /nfs/dbraw/zinc/78/72/36/835787236.db2.gz YGPLUOPFTPBHHX-CABCVRRESA-N 2 0 336.480 0.600 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266718827 836195545 /nfs/dbraw/zinc/19/55/45/836195545.db2.gz GFWLHGVKVIXOMK-CALCHBBNSA-N 2 0 342.443 0.348 20 30 ECEDRP C=CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001266751186 836241901 /nfs/dbraw/zinc/24/19/01/836241901.db2.gz CTJBHCQKANZHGE-HZPDHXFCSA-N 2 0 336.480 0.601 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001266880528 836427970 /nfs/dbraw/zinc/42/79/70/836427970.db2.gz LIWMBWWLBCEUPP-HOTGVXAUSA-N 2 0 336.480 0.437 20 30 ECEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001267296994 837156876 /nfs/dbraw/zinc/15/68/76/837156876.db2.gz YYWKYLPDOLMUAT-HZPDHXFCSA-N 2 0 336.480 0.601 20 30 ECEDRP C=CCNC(=O)[C@H](C)N1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001267966233 838882475 /nfs/dbraw/zinc/88/24/75/838882475.db2.gz ISAOBPUTECYEOD-GOEBONIOSA-N 2 0 336.480 0.600 20 30 ECEDRP N#Cc1ccc(CN2CCC([NH2+]CC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000517229753 270007896 /nfs/dbraw/zinc/00/78/96/270007896.db2.gz KXJMVVBLUPAZKL-UHFFFAOYSA-N 2 0 341.459 0.544 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C)c1C#N ZINC000355448213 266146635 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WKYFZBGLBJUBGC-FZDBZEDMSA-N 2 0 340.464 0.461 20 30 ECEDRP C[NH+](C)C[C@@H]1CN(Cc2cnc3c(C#N)cnn3c2)C[C@H]1C[NH+](C)C ZINC000877669584 590477280 /nfs/dbraw/zinc/47/72/80/590477280.db2.gz PKNDQVKXIBRRCO-IAGOWNOFSA-N 2 0 341.463 0.772 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000104160744 591052860 /nfs/dbraw/zinc/05/28/60/591052860.db2.gz BVHLFZKTIKELKK-IRXDYDNUSA-N 3 0 338.544 0.647 20 30 ECEDRP C#CCN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000910884829 609773442 /nfs/dbraw/zinc/77/34/42/609773442.db2.gz FDCZDXAUFOHYFO-KRWDZBQOSA-N 2 0 346.475 0.239 20 30 ECEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000152088324 609832504 /nfs/dbraw/zinc/83/25/04/609832504.db2.gz MXEHKMWRDMUKDF-CQSZACIVSA-N 2 0 333.484 0.941 20 30 ECEDRP CC(=NNC(N)=[NH2+])c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000917546498 609975924 /nfs/dbraw/zinc/97/59/24/609975924.db2.gz ZYBSTQYPJPGUAD-UHFFFAOYSA-N 2 0 340.453 0.124 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516603 610881754 /nfs/dbraw/zinc/88/17/54/610881754.db2.gz MHNZQCITPYVKQS-NVXWUHKLSA-N 2 0 331.464 0.908 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC000945184741 610938436 /nfs/dbraw/zinc/93/84/36/610938436.db2.gz XMIUPIZBJJPYGI-WBVHZDCISA-N 2 0 348.491 0.246 20 30 ECEDRP C=C(C[NH+](C)C)C(=O)NCC[C@H]1CCN(C(=O)C(=C)C[NH+](C)C)C1 ZINC000923150673 611208155 /nfs/dbraw/zinc/20/81/55/611208155.db2.gz DZKJLHTXMCJSCG-INIZCTEOSA-N 2 0 336.480 0.577 20 30 ECEDRP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC)[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000922155647 611340557 /nfs/dbraw/zinc/34/05/57/611340557.db2.gz DJMZTHMJRIANQU-VGWMRTNUSA-N 2 0 334.464 0.209 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000922200532 611342783 /nfs/dbraw/zinc/34/27/83/611342783.db2.gz DNLJIFVLOAPULD-MRXNPFEDSA-N 2 0 336.480 0.884 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC000953907168 612426822 /nfs/dbraw/zinc/42/68/22/612426822.db2.gz YSDQVLPPYRLHQP-KRWDZBQOSA-N 2 0 346.475 0.095 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001167232947 733077167 /nfs/dbraw/zinc/07/71/67/733077167.db2.gz VFZGIJUNHBPWEU-OAHLLOKOSA-N 2 0 336.480 0.507 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCc2ccnn2C)C1 ZINC000971703339 734964617 /nfs/dbraw/zinc/96/46/17/734964617.db2.gz DYHMLCIHEVGSPN-MSOLQXFVSA-N 2 0 343.475 0.593 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167619870 736105509 /nfs/dbraw/zinc/10/55/09/736105509.db2.gz MNIUVCJALLNCTL-JKSUJKDBSA-N 2 0 336.480 0.485 20 30 ECEDRP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947622 738399565 /nfs/dbraw/zinc/39/95/65/738399565.db2.gz RXWBVIFBTFVMMC-LPHOPBHVSA-N 2 0 348.491 0.438 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973410836 739223849 /nfs/dbraw/zinc/22/38/49/739223849.db2.gz 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WNLMRPXTEXNBNG-GDBMZVCRSA-N 2 0 334.464 0.306 20 30 ECEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875622549 590316458 /nfs/dbraw/zinc/31/64/58/590316458.db2.gz KBZWCNMACGMQEF-IAGOWNOFSA-N 3 0 337.512 0.322 20 30 ECEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000876748941 590408643 /nfs/dbraw/zinc/40/86/43/590408643.db2.gz JHEPLEYCWBYDOR-OLZOCXBDSA-N 2 0 330.860 0.515 20 30 ECEDRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)C1 ZINC000884236274 590785855 /nfs/dbraw/zinc/78/58/55/590785855.db2.gz QEPWTCJUSIORGR-ISXWCOSWSA-N 2 0 345.491 0.364 20 30 ECEDRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@H]4C#N)CC2)C1 ZINC000884236276 590786152 /nfs/dbraw/zinc/78/61/52/590786152.db2.gz QEPWTCJUSIORGR-VZDIDWBNSA-N 2 0 345.491 0.364 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884643167 590881456 /nfs/dbraw/zinc/88/14/56/590881456.db2.gz YTOUFZSTFDICCN-UHFFFAOYSA-N 2 0 336.480 0.873 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]CCC23CCC3)CC1 ZINC000884643063 590881826 /nfs/dbraw/zinc/88/18/26/590881826.db2.gz WDLZBEPPHFDDCT-UHFFFAOYSA-N 2 0 348.491 0.888 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)NC)[C@@H](C)C2)CC1 ZINC000948071572 611408660 /nfs/dbraw/zinc/40/86/60/611408660.db2.gz ZANAMXTUCOPMAH-GOEBONIOSA-N 2 0 334.464 0.047 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])CC1 ZINC000911236859 609829632 /nfs/dbraw/zinc/82/96/32/609829632.db2.gz VCHXMGLJTCMFEB-KDOFPFPSSA-N 2 0 334.464 0.483 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000940962924 610468135 /nfs/dbraw/zinc/46/81/35/610468135.db2.gz YUGBGSCCNMFOEC-IAGOWNOFSA-N 2 0 346.475 0.000 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)CC2(C)C)CC1 ZINC000941237410 610620826 /nfs/dbraw/zinc/62/08/26/610620826.db2.gz MVHFIIXDANVXTI-HOCLYGCPSA-N 2 0 348.491 0.422 20 30 ECEDRP C#CCN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)C1CC[NH+](C)CC1 ZINC000923406098 611239711 /nfs/dbraw/zinc/23/97/11/611239711.db2.gz WLPVKGZSPAGNNR-INIZCTEOSA-N 2 0 349.479 0.065 20 30 ECEDRP C=CCc1ccc(OC[C@@H](O)CN2CC[NH2+]CC[NH2+]CC2)c(OC)c1 ZINC000923460447 611245835 /nfs/dbraw/zinc/24/58/35/611245835.db2.gz ODGFYCVRVYKQJT-KRWDZBQOSA-N 2 0 349.475 0.658 20 30 ECEDRP CC(C)[C@H](C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001167051724 731563427 /nfs/dbraw/zinc/56/34/27/731563427.db2.gz ZWCYAVWXYWJHJT-OAHLLOKOSA-N 2 0 337.468 0.088 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001167235852 733081147 /nfs/dbraw/zinc/08/11/47/733081147.db2.gz AWYKDXGDFCKHCZ-HUUCEWRRSA-N 2 0 336.480 0.362 20 30 ECEDRP CCC[N@H+](C)CC(=O)N1CCC([NH+](CC#CCOC)CCO)CC1 ZINC001098540281 733830038 /nfs/dbraw/zinc/83/00/38/733830038.db2.gz ARQINRLMGOCGNB-UHFFFAOYSA-N 2 0 339.480 0.263 20 30 ECEDRP CN1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(C#N)s3)C2)C1 ZINC000971271043 734414724 /nfs/dbraw/zinc/41/47/24/734414724.db2.gz JNPIWEYQPFNYCH-CJNGLKHVSA-N 2 0 348.472 0.983 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C ZINC001104354025 734611583 /nfs/dbraw/zinc/61/15/83/734611583.db2.gz OXDQLRZWUJKLAK-ZACQAIPSSA-N 2 0 348.491 0.294 20 30 ECEDRP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083221260 734798608 /nfs/dbraw/zinc/79/86/08/734798608.db2.gz SMVGKFQZBMSTSG-DLBZAZTESA-N 2 0 347.463 0.546 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676594 734940853 /nfs/dbraw/zinc/94/08/53/734940853.db2.gz GBEYKZUTTCBUHY-CVEARBPZSA-N 2 0 348.491 0.790 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001167523303 735565508 /nfs/dbraw/zinc/56/55/08/735565508.db2.gz XPZASUPNGHVCPU-UHFFFAOYSA-N 2 0 348.491 0.344 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000973410794 739223770 /nfs/dbraw/zinc/22/37/70/739223770.db2.gz PRSAOHWMDLFKQF-QAETUUGQSA-N 2 0 346.475 0.332 20 30 ECEDRP 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C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000343742892 437645726 /nfs/dbraw/zinc/64/57/26/437645726.db2.gz UEIPQVAYWUYUFB-UHFFFAOYSA-N 2 0 336.480 0.696 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000377575450 438312690 /nfs/dbraw/zinc/31/26/90/438312690.db2.gz PAGBGXWLZIWHEF-IAGOWNOFSA-N 2 0 336.480 0.877 20 30 ECEDRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000566120681 439010469 /nfs/dbraw/zinc/01/04/69/439010469.db2.gz OJSLYEBQRVIGLE-SFHVURJKSA-N 2 0 346.475 0.914 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000490649430 439283086 /nfs/dbraw/zinc/28/30/86/439283086.db2.gz GVZJUATXRRFEMF-UHFFFAOYSA-N 2 0 346.519 0.818 20 30 ECEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000569333057 439323592 /nfs/dbraw/zinc/32/35/92/439323592.db2.gz PGDAOPMJXDUTNS-FUHWJXTLSA-N 2 0 346.475 0.718 20 30 ECEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000490778676 439299136 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CC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000329646106 279258128 /nfs/dbraw/zinc/25/81/28/279258128.db2.gz IVBUIIVHKLVZAH-OAHLLOKOSA-N 2 0 325.501 0.858 20 30 ECEDRP C[NH+](C)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000133856193 436884405 /nfs/dbraw/zinc/88/44/05/436884405.db2.gz OREYSGQRFHGQCK-ZDUSSCGKSA-N 2 0 325.457 0.819 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1c2ccccc2CC1=O ZINC000170909765 436961096 /nfs/dbraw/zinc/96/10/96/436961096.db2.gz LMWMPVPNTUAGSF-OAHLLOKOSA-N 2 0 329.448 0.964 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(OC)c1 ZINC000264149375 437019245 /nfs/dbraw/zinc/01/92/45/437019245.db2.gz YSDGOMGYWGIYMJ-OAHLLOKOSA-N 2 0 347.463 0.814 20 30 ECEDRP C#CCNc1nc(NC[C@@H](C)[NH+](C)C)nc(NC[C@H](C)[NH+](C)C)n1 ZINC000288328650 437309824 /nfs/dbraw/zinc/30/98/24/437309824.db2.gz IFEUCYNEZDBOOC-BETUJISGSA-N 3 0 334.472 0.641 20 30 ECEDRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000329354746 437358473 /nfs/dbraw/zinc/35/84/73/437358473.db2.gz VNOMXGPQHCGUHC-HNNXBMFYSA-N 2 0 325.501 0.858 20 30 ECEDRP COCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000267421358 437327827 /nfs/dbraw/zinc/32/78/27/437327827.db2.gz KTKCZAIBMSJIDJ-INIZCTEOSA-N 2 0 347.463 0.435 20 30 ECEDRP C[C@H](CNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C)N1CCOCC1 ZINC000329189823 437331601 /nfs/dbraw/zinc/33/16/01/437331601.db2.gz CENYAXPNLGVWAN-BZUAXINKSA-N 2 0 340.468 0.416 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000342103622 437969463 /nfs/dbraw/zinc/96/94/63/437969463.db2.gz IHGUBLTXYDEXEB-AWEZNQCLSA-N 2 0 336.480 0.742 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)C(C)C ZINC000419570398 438363604 /nfs/dbraw/zinc/36/36/04/438363604.db2.gz NJHWWSPYIQTCLX-HZPDHXFCSA-N 2 0 336.480 0.751 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])CC1 ZINC000419727544 438369480 /nfs/dbraw/zinc/36/94/80/438369480.db2.gz LQXMTGNBDAVEBI-GOEBONIOSA-N 2 0 336.480 0.729 20 30 ECEDRP CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548832517 438733881 /nfs/dbraw/zinc/73/38/81/438733881.db2.gz PVKUWLNQYDIVMG-CQSZACIVSA-N 2 0 333.502 0.138 20 30 ECEDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000517742509 438974637 /nfs/dbraw/zinc/97/46/37/438974637.db2.gz GGAMEBUYHLOLDE-CQSZACIVSA-N 2 0 327.436 0.717 20 30 ECEDRP N#Cc1ncn(CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)n1 ZINC000601965054 438992306 /nfs/dbraw/zinc/99/23/06/438992306.db2.gz MTIGRKVNFFJPSQ-QGZVFWFLSA-N 2 0 326.404 0.376 20 30 ECEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCSCc2ccccc2C#N)CC1 ZINC000519775021 439061698 /nfs/dbraw/zinc/06/16/98/439061698.db2.gz ZWUXZLDDFFHUAA-GOSISDBHSA-N 2 0 348.516 0.989 20 30 ECEDRP N#CCCC[C@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000567467671 439144552 /nfs/dbraw/zinc/14/45/52/439144552.db2.gz HSBQKXGELGGDFV-SFHVURJKSA-N 2 0 343.475 0.942 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000581006944 439157036 /nfs/dbraw/zinc/15/70/36/439157036.db2.gz XPZGLBUTTIERAV-DLBZAZTESA-N 2 0 346.479 0.897 20 30 ECEDRP CC(C)[NH+]1CCN([C@H]2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)C2)CC1 ZINC000525686552 439211474 /nfs/dbraw/zinc/21/14/74/439211474.db2.gz ANJCGENKBWCMBJ-HKUYNNGSSA-N 2 0 347.507 0.895 20 30 ECEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000490866008 439305336 /nfs/dbraw/zinc/30/53/36/439305336.db2.gz KXWNORPZZSJRDN-GOSISDBHSA-N 2 0 326.444 0.950 20 30 ECEDRP C#CCNC(=O)CC[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000491626442 439415235 /nfs/dbraw/zinc/41/52/35/439415235.db2.gz JWBNIXMSFBGRIK-UHFFFAOYSA-N 2 0 329.448 0.323 20 30 ECEDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)CC3(C#N)CC3)cn2)CC1 ZINC000599290027 439421662 /nfs/dbraw/zinc/42/16/62/439421662.db2.gz NWLLETFNNKOFGM-MRXNPFEDSA-N 2 0 329.448 0.978 20 30 ECEDRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000584776317 439614899 /nfs/dbraw/zinc/61/48/99/439614899.db2.gz UXTGBTOKCPJVBN-SFHVURJKSA-N 2 0 346.475 0.914 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(C#N)c1 ZINC000559717222 322224331 /nfs/dbraw/zinc/22/43/31/322224331.db2.gz ZOCPMGBQUCIAKK-UHFFFAOYSA-N 2 0 345.447 0.126 20 30 ECEDRP C=C1[C@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]1C(=O)N1CCC[NH+](C)CC1 ZINC000899935885 586513964 /nfs/dbraw/zinc/51/39/64/586513964.db2.gz SFFRIZXWLSKJJF-IYBDPMFKSA-N 2 0 334.464 0.117 20 30 ECEDRP CSc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1C#N ZINC000905463925 586895883 /nfs/dbraw/zinc/89/58/83/586895883.db2.gz BFGJMZSFAJHEAA-MRXNPFEDSA-N 2 0 334.489 0.978 20 30 ECEDRP C#CCCCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000817826267 587387652 /nfs/dbraw/zinc/38/76/52/587387652.db2.gz VLTYAQDHIIWRNX-UHFFFAOYSA-N 2 0 348.491 0.535 20 30 ECEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000844194069 589101978 /nfs/dbraw/zinc/10/19/78/589101978.db2.gz WADCEQHMOIWZDM-XIRDDKMYSA-N 3 0 338.415 0.029 20 30 ECEDRP C[NH+]1CCN(c2ccc(NC(=O)C#CC3CC[NH2+]CC3)cn2)CC1 ZINC000852882936 589521376 /nfs/dbraw/zinc/52/13/76/589521376.db2.gz SSSJXQIURYCRLX-UHFFFAOYSA-N 2 0 327.432 0.775 20 30 ECEDRP C=CC[C@]1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCC[NH2+]1 ZINC000872253818 590107915 /nfs/dbraw/zinc/10/79/15/590107915.db2.gz KDXTWFMLUDBEKM-RVKKMQEKSA-N 2 0 348.447 0.468 20 30 ECEDRP CO[C@H]1COCC[C@@H]1[NH+](C)CC#CC[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880433389 590393507 /nfs/dbraw/zinc/39/35/07/590393507.db2.gz WKYFZBGLBJUBGC-XLAORIBOSA-N 2 0 340.464 0.461 20 30 ECEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000134125407 590794299 /nfs/dbraw/zinc/79/42/99/590794299.db2.gz SGBDKBNUYNHTSN-MRXNPFEDSA-N 2 0 325.501 0.462 20 30 ECEDRP C#CC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690423 611415649 /nfs/dbraw/zinc/41/56/49/611415649.db2.gz QFQWTQSOTKBQQY-VVJOJPPRSA-N 2 0 343.471 0.653 20 30 ECEDRP C=C1[C@H](C(=O)NC[C@H](C)C[NH+](C)C)[C@@H]1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000908344856 609651201 /nfs/dbraw/zinc/65/12/01/609651201.db2.gz FXWMQSPLRADAEX-SDSIWUNFSA-N 2 0 338.496 0.416 20 30 ECEDRP C#CCN(C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000920461741 609683208 /nfs/dbraw/zinc/68/32/08/609683208.db2.gz PEAFUFMHTRDJQO-QGZVFWFLSA-N 2 0 349.523 0.609 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911237355 609830237 /nfs/dbraw/zinc/83/02/37/609830237.db2.gz WGUCVTBQORBYDV-GJZGRUSLSA-N 2 0 336.480 0.586 20 30 ECEDRP C=C1[C@@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000912998331 610029150 /nfs/dbraw/zinc/02/91/50/610029150.db2.gz FZZHQYYAJRXIFO-KLHDSHLOSA-N 2 0 334.464 0.209 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941440517 610316347 /nfs/dbraw/zinc/31/63/47/610316347.db2.gz LGJXDOYKMWIHNG-KRWDZBQOSA-N 2 0 336.455 0.272 20 30 ECEDRP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)C1 ZINC000941566323 610386305 /nfs/dbraw/zinc/38/63/05/610386305.db2.gz BNMBYFIYHUQHNJ-SJLPKXTDSA-N 2 0 334.508 0.979 20 30 ECEDRP C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000923551690 611259613 /nfs/dbraw/zinc/25/96/13/611259613.db2.gz CUPJOAQXIWKSJC-OKZBNKHCSA-N 2 0 343.475 0.669 20 30 ECEDRP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@H]1C)CCO2 ZINC000949189311 611894400 /nfs/dbraw/zinc/89/44/00/611894400.db2.gz PKRRLBRXTJSQJF-SJORKVTESA-N 2 0 333.476 0.901 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC000970789008 733941564 /nfs/dbraw/zinc/94/15/64/733941564.db2.gz SIBZMEXOHTUTIW-QGZVFWFLSA-N 2 0 346.475 0.145 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC[C@]2(CCCOC2)C1 ZINC000261680517 734273424 /nfs/dbraw/zinc/27/34/24/734273424.db2.gz BUKINSMTJSMVBF-AEFFLSMTSA-N 2 0 335.496 0.454 20 30 ECEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500660 736926084 /nfs/dbraw/zinc/92/60/84/736926084.db2.gz XIYVEMXCOYAKAG-XNGIKWSVSA-N 2 0 331.460 0.701 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CCC[C@H]2C)C1=O ZINC001026040883 740326746 /nfs/dbraw/zinc/32/67/46/740326746.db2.gz SVYAEENSVQXUIM-LFRCEIEQSA-N 2 0 346.475 0.304 20 30 ECEDRP C#CC[N@H+]1CCCC2(CN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC000982063793 751544395 /nfs/dbraw/zinc/54/43/95/751544395.db2.gz XOABHWSDCQXMCM-UHFFFAOYSA-N 2 0 329.448 0.616 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)Cn2cncc2C)C1 ZINC000974263010 741192729 /nfs/dbraw/zinc/19/27/29/741192729.db2.gz JLLHQHKGIPLZTH-XHSDSOJGSA-N 2 0 343.431 0.053 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)c3ccn4c[nH+]cc4c3)C2)nn1 ZINC001105276886 741627694 /nfs/dbraw/zinc/62/76/94/741627694.db2.gz WTJCGKQFBPOPNP-UHFFFAOYSA-N 2 0 349.398 0.736 20 30 ECEDRP C#CCN1CC[NH+](C2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000996794627 742875483 /nfs/dbraw/zinc/87/54/83/742875483.db2.gz AXMBZZYJZQNCMT-UHFFFAOYSA-N 2 0 344.503 0.760 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001027234398 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ITHJBNGZAXKAJO-MSOLQXFVSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)C1 ZINC001046040255 766746404 /nfs/dbraw/zinc/74/64/04/766746404.db2.gz AKQXOFWNWSFHPO-RBUKOAKNSA-N 2 0 346.519 0.959 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2[N@H+](C[C@@H](C)O)CC3)CC1 ZINC000992513875 766753878 /nfs/dbraw/zinc/75/38/78/766753878.db2.gz WZZBKRRYXQZGSH-SUMDDJOVSA-N 2 0 333.476 0.826 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085812 766927596 /nfs/dbraw/zinc/92/75/96/766927596.db2.gz RMUNQHSHGOHHNE-MOPGFXCFSA-N 2 0 346.519 0.959 20 30 ECEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](CC#C)CC3)CC2)C1 ZINC001046086255 766928292 /nfs/dbraw/zinc/92/82/92/766928292.db2.gz NREPJTXSJYNOCC-IBGZPJMESA-N 2 0 342.487 0.183 20 30 ECEDRP C[NH+](C)CCn1ccc(C(=O)NCC[NH2+]Cc2ccccc2C#N)n1 ZINC001127575792 767050886 /nfs/dbraw/zinc/05/08/86/767050886.db2.gz BRIFDBCGTIUAQB-UHFFFAOYSA-N 2 0 340.431 0.836 20 30 ECEDRP 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C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001045390660 775525457 /nfs/dbraw/zinc/52/54/57/775525457.db2.gz TVWOXDDWCXVETF-HZPDHXFCSA-N 2 0 348.491 0.838 20 30 ECEDRP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001045685264 776039953 /nfs/dbraw/zinc/03/99/53/776039953.db2.gz GNKPTPOCBAEZAF-DLBZAZTESA-N 2 0 333.476 0.949 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080382533 777773303 /nfs/dbraw/zinc/77/33/03/777773303.db2.gz PWPYRRVXLQASCH-DJIMGWMZSA-N 2 0 348.491 0.552 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207967 783658875 /nfs/dbraw/zinc/65/88/75/783658875.db2.gz YDUWTMYPUDVEBD-BBWFWOEESA-N 2 0 344.463 0.231 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070500800 784197577 /nfs/dbraw/zinc/19/75/77/784197577.db2.gz IBYVXNTXOOSFFI-UAGQMJEPSA-N 2 0 331.464 0.830 20 30 ECEDRP 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C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@H](CC)C(N)=O)C3)CC1 ZINC001073457438 789865726 /nfs/dbraw/zinc/86/57/26/789865726.db2.gz QFMPLJKCMFDZIM-MRXNPFEDSA-N 2 0 346.475 0.130 20 30 ECEDRP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001069930625 790203653 /nfs/dbraw/zinc/20/36/53/790203653.db2.gz VGMXWEIUAJPRPF-VQHPVUNQSA-N 2 0 346.479 0.926 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2c(C)nnn2CC)CC1 ZINC001267473897 837499417 /nfs/dbraw/zinc/49/94/17/837499417.db2.gz OZLWOAXCSCTTEO-UHFFFAOYSA-N 2 0 346.479 0.500 20 30 ECEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267531321 837703439 /nfs/dbraw/zinc/70/34/39/837703439.db2.gz QBEVXTGXMOCYBX-HZPDHXFCSA-N 2 0 349.479 0.327 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC001267557269 837765554 /nfs/dbraw/zinc/76/55/54/837765554.db2.gz BBWSPDFKMUEBOR-WBVHZDCISA-N 2 0 344.463 0.241 20 30 ECEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001267565498 837781450 /nfs/dbraw/zinc/78/14/50/837781450.db2.gz NYQQJOITFFRELM-HZPDHXFCSA-N 2 0 336.480 0.459 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C2CC2)CC1 ZINC001266444765 835848406 /nfs/dbraw/zinc/84/84/06/835848406.db2.gz DQIHCDSDUUQNBR-SJORKVTESA-N 2 0 346.475 0.047 20 30 ECEDRP C#CCNC(=O)[C@H](C)[N@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266560379 835988625 /nfs/dbraw/zinc/98/86/25/835988625.db2.gz JYVRTQWTUQMAMJ-RDJZCZTQSA-N 2 0 348.491 0.294 20 30 ECEDRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266716850 836191525 /nfs/dbraw/zinc/19/15/25/836191525.db2.gz QZOJNMSNDYRILH-ZNMIVQPWSA-N 2 0 335.452 0.126 20 30 ECEDRP C=CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001266752518 836245469 /nfs/dbraw/zinc/24/54/69/836245469.db2.gz SXNMTPOTPWYQJH-HNNXBMFYSA-N 2 0 336.480 0.601 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001266881584 836430265 /nfs/dbraw/zinc/43/02/65/836430265.db2.gz YIOUFKRBLQKCCQ-JKSUJKDBSA-N 2 0 346.475 0.191 20 30 ECEDRP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1)[NH+]1CCCC1 ZINC001267069930 836715115 /nfs/dbraw/zinc/71/51/15/836715115.db2.gz GISUJIMXKCPDDY-WBVHZDCISA-N 2 0 349.479 0.185 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC(=O)N2CCCC2)CC1 ZINC001267116672 836810876 /nfs/dbraw/zinc/81/08/76/836810876.db2.gz DVLCRGOQRFXGNV-UHFFFAOYSA-N 2 0 334.464 0.002 20 30 ECEDRP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267582882 837849100 /nfs/dbraw/zinc/84/91/00/837849100.db2.gz MOSGEXZVYGXOHM-INIZCTEOSA-N 2 0 331.464 0.862 20 30 ECEDRP C=CCOCC[N@H+]1CCC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001267632312 838093712 /nfs/dbraw/zinc/09/37/12/838093712.db2.gz NSUPERLDKLSTFD-INIZCTEOSA-N 2 0 339.480 0.880 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+][C@@H]3CCNC3=O)CCCC2)CC1 ZINC001267847500 838646140 /nfs/dbraw/zinc/64/61/40/838646140.db2.gz YHSUMHYUABLFFG-MRXNPFEDSA-N 2 0 346.475 0.239 20 30 ECEDRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N)CC1 ZINC001268009022 838968838 /nfs/dbraw/zinc/96/88/38/838968838.db2.gz MXBXFYRYODXGNE-AWEZNQCLSA-N 2 0 337.468 0.088 20 30 ECEDRP C=CCNC(=O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000097595291 219037565 /nfs/dbraw/zinc/03/75/65/219037565.db2.gz BFNJLWAZCICMFZ-UHFFFAOYSA-N 2 0 338.496 0.705 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419734090 254773797 /nfs/dbraw/zinc/77/37/97/254773797.db2.gz VBJCTAUPUZRUQD-GDBMZVCRSA-N 2 0 336.480 0.777 20 30 ECEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(CC(C)C)CC1 ZINC000262768638 278168545 /nfs/dbraw/zinc/16/85/45/278168545.db2.gz GWMJMESOCRVPKB-KRWDZBQOSA-N 2 0 336.528 0.225 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000076947868 436221130 /nfs/dbraw/zinc/22/11/30/436221130.db2.gz NHYOZBRZROWWKV-UHFFFAOYSA-N 2 0 337.512 0.964 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1cc(Cl)cn1C ZINC000262026514 436902133 /nfs/dbraw/zinc/90/21/33/436902133.db2.gz ZUSRNQCNFUAIOG-HNNXBMFYSA-N 2 0 340.903 0.932 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1 ZINC000264100118 437017350 /nfs/dbraw/zinc/01/73/50/437017350.db2.gz MNRPQTFAVFTEKM-CYBMUJFWSA-N 2 0 339.465 0.223 20 30 ECEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000329390080 437361414 /nfs/dbraw/zinc/36/14/14/437361414.db2.gz USYMCQMPSYHJEE-HNNXBMFYSA-N 2 0 325.501 0.999 20 30 ECEDRP COCCNC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000267421359 437327388 /nfs/dbraw/zinc/32/73/88/437327388.db2.gz KTKCZAIBMSJIDJ-MRXNPFEDSA-N 2 0 347.463 0.435 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000343757530 437646897 /nfs/dbraw/zinc/64/68/97/437646897.db2.gz GHELJHKKONIQIE-HOCLYGCPSA-N 2 0 336.480 0.742 20 30 ECEDRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000331099398 437686511 /nfs/dbraw/zinc/68/65/11/437686511.db2.gz CFFBUXLMMDNBGN-CABCVRRESA-N 2 0 339.484 0.479 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000343902182 437687619 /nfs/dbraw/zinc/68/76/19/437687619.db2.gz BOTZOZLOEYDHCB-GDBMZVCRSA-N 2 0 348.491 0.885 20 30 ECEDRP CN(CCC#N)C(=O)CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362490032 437740400 /nfs/dbraw/zinc/74/04/00/437740400.db2.gz YTDKHIQIULCBOY-KRWDZBQOSA-N 2 0 335.496 0.849 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000340826832 437746507 /nfs/dbraw/zinc/74/65/07/437746507.db2.gz OVWNQSQHRHZRCT-CVEARBPZSA-N 2 0 334.464 0.496 20 30 ECEDRP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345195517 437783712 /nfs/dbraw/zinc/78/37/12/437783712.db2.gz ZKONSZWEQWGNCG-CQSZACIVSA-N 2 0 349.479 0.327 20 30 ECEDRP COC(=O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000342117356 437971402 /nfs/dbraw/zinc/97/14/02/437971402.db2.gz AVFNSJMAVGQGFM-FPCVCCKLSA-N 2 0 336.432 0.757 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000419727109 438370470 /nfs/dbraw/zinc/37/04/70/438370470.db2.gz KVWMYFHOTXLDTO-HUUCEWRRSA-N 2 0 336.480 0.586 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419702655 438370493 /nfs/dbraw/zinc/37/04/93/438370493.db2.gz BNMASQVOAWEVMN-UHFFFAOYSA-N 2 0 336.480 0.921 20 30 ECEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000451678507 438708381 /nfs/dbraw/zinc/70/83/81/438708381.db2.gz ILLMHDCNEQUUOJ-BBWFWOEESA-N 2 0 339.480 0.783 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccccc1CC#N ZINC000601335550 438850073 /nfs/dbraw/zinc/85/00/73/438850073.db2.gz OTKSEIMUMWDZGF-UHFFFAOYSA-N 2 0 338.477 0.867 20 30 ECEDRP C[NH+](C)C1CCN(CC[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000567888393 439191653 /nfs/dbraw/zinc/19/16/53/439191653.db2.gz CZKOBIUJFBTRHK-UHFFFAOYSA-N 2 0 327.436 0.717 20 30 ECEDRP CN(CCC#N)C[C@@H](O)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000581998184 439277020 /nfs/dbraw/zinc/27/70/20/439277020.db2.gz YSDNCCWCYQMCEZ-SFHVURJKSA-N 2 0 337.512 0.341 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000491716234 439435273 /nfs/dbraw/zinc/43/52/73/439435273.db2.gz MPFDCOUCKLLKJE-GOSISDBHSA-N 2 0 349.523 0.753 20 30 ECEDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1C#N ZINC000599337673 439440375 /nfs/dbraw/zinc/44/03/75/439440375.db2.gz DQEQXTADBMYERK-GOSISDBHSA-N 2 0 346.475 0.867 20 30 ECEDRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440031 439559986 /nfs/dbraw/zinc/55/99/86/439559986.db2.gz XYZPHOXFNIWIAW-INIZCTEOSA-N 2 0 344.463 0.861 20 30 ECEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000594443235 439562534 /nfs/dbraw/zinc/56/25/34/439562534.db2.gz BCOZDSHGHFPEQZ-VXGBXAGGSA-N 2 0 335.374 0.350 20 30 ECEDRP N#Cc1ccc(N2CCC([NH2+]C[C@@H](O)C[NH+]3CCCC3)CC2)nc1 ZINC000600722178 439695876 /nfs/dbraw/zinc/69/58/76/439695876.db2.gz GTBFJIQNVDDBIA-QGZVFWFLSA-N 2 0 329.448 0.968 20 30 ECEDRP C=CC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710993 439853900 /nfs/dbraw/zinc/85/39/00/439853900.db2.gz KPZGVHRJXXJESM-QAPCUYQASA-N 2 0 336.480 0.744 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000627386024 440169645 /nfs/dbraw/zinc/16/96/45/440169645.db2.gz CJUFJIBVLIJDKA-MRXNPFEDSA-N 2 0 336.480 0.600 20 30 ECEDRP C[C@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)n1cnc(C#N)n1 ZINC000545273229 322107962 /nfs/dbraw/zinc/10/79/62/322107962.db2.gz RSFYLSNKLHDBNM-CYBMUJFWSA-N 2 0 333.440 0.195 20 30 ECEDRP CNC(=O)C1([NH2+]CC#CC[NH2+]C2(C(=O)NC)CCCC2)CCCC1 ZINC000792869464 578916645 /nfs/dbraw/zinc/91/66/45/578916645.db2.gz CKDXDKBMMCSMRO-UHFFFAOYSA-N 2 0 334.464 0.287 20 30 ECEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000834484930 588902475 /nfs/dbraw/zinc/90/24/75/588902475.db2.gz PFCSPSMUJBBHBR-FUHWJXTLSA-N 2 0 341.459 0.817 20 30 ECEDRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841016055 588976103 /nfs/dbraw/zinc/97/61/03/588976103.db2.gz CPLVFOLPCGPQEN-RHSMWYFYSA-N 2 0 342.447 0.980 20 30 ECEDRP C=C1[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000900592243 586645087 /nfs/dbraw/zinc/64/50/87/586645087.db2.gz XHEMLIFPVNGZEQ-WCVJEAGWSA-N 2 0 334.464 0.209 20 30 ECEDRP CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000852913073 589525401 /nfs/dbraw/zinc/52/54/01/589525401.db2.gz MMMFYNNDNKQZSA-GOSISDBHSA-N 2 0 332.492 0.616 20 30 ECEDRP C#C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCCO1 ZINC000875506231 590306480 /nfs/dbraw/zinc/30/64/80/590306480.db2.gz GGXWFMIAEOCUEY-NCOADZHNSA-N 2 0 336.480 0.548 20 30 ECEDRP CO[C@@H]1COCC[C@H]1[NH+](C)CC#CC[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880433390 590392966 /nfs/dbraw/zinc/39/29/66/590392966.db2.gz WKYFZBGLBJUBGC-XMTFNYHQSA-N 2 0 340.464 0.461 20 30 ECEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000876782977 590415460 /nfs/dbraw/zinc/41/54/60/590415460.db2.gz XMOXCEUPYUMOOV-AWEZNQCLSA-N 2 0 337.855 0.920 20 30 ECEDRP C#CCN(C(=O)C(=O)N[C@H](CC)C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000930202198 611400379 /nfs/dbraw/zinc/40/03/79/611400379.db2.gz KYWSVXPWFUEGOY-MRXNPFEDSA-N 2 0 348.491 0.533 20 30 ECEDRP CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C#N)C1)[NH+](C)C ZINC000912536401 609966705 /nfs/dbraw/zinc/96/67/05/609966705.db2.gz VAOWLVHDFBIUIS-ZNMIVQPWSA-N 2 0 337.468 0.230 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000919404546 610043305 /nfs/dbraw/zinc/04/33/05/610043305.db2.gz ONHVANDZWWDXFL-INIZCTEOSA-N 2 0 348.491 0.884 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC000940961991 610467684 /nfs/dbraw/zinc/46/76/84/610467684.db2.gz IOBTZZYQFZORSH-QGZVFWFLSA-N 2 0 346.475 0.145 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)C[NH+]2CCCC2)CC1 ZINC000950432379 612016875 /nfs/dbraw/zinc/01/68/75/612016875.db2.gz POIHRVCOJUEENS-QGZVFWFLSA-N 2 0 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HTIAWWJGQCIXEF-MSOLQXFVSA-N 2 0 334.508 0.814 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC2)C1 ZINC001046064841 766845887 /nfs/dbraw/zinc/84/58/87/766845887.db2.gz WHSVYYYWWIEWDE-QZTJIDSGSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046074122 766889865 /nfs/dbraw/zinc/88/98/65/766889865.db2.gz SKFXCXQVNLSNNE-IBGZPJMESA-N 2 0 346.519 0.960 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001106148599 767358820 /nfs/dbraw/zinc/35/88/20/767358820.db2.gz UTWZMRGBJPOPOS-KLHDSHLOSA-N 2 0 336.480 0.313 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+]([C@H](C)C(N)=O)CC3)CC1 ZINC001016984068 767437897 /nfs/dbraw/zinc/43/78/97/767437897.db2.gz BXVQTPYCWHCQIJ-GDBMZVCRSA-N 2 0 346.475 0.176 20 30 ECEDRP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055578610 769174527 /nfs/dbraw/zinc/17/45/27/769174527.db2.gz QSXCBRGBWCVIGA-MRXNPFEDSA-N 2 0 348.491 0.294 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106839372 770027893 /nfs/dbraw/zinc/02/78/93/770027893.db2.gz DTFJEYAQZVORMY-OWCLPIDISA-N 2 0 336.480 0.150 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001019088152 770756367 /nfs/dbraw/zinc/75/63/67/770756367.db2.gz LEYJBBCRTMLVDO-JKSUJKDBSA-N 2 0 346.475 0.592 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1=O ZINC001020144235 772212700 /nfs/dbraw/zinc/21/27/00/772212700.db2.gz WFAZQNFWQXJEIR-VQHPVUNQSA-N 2 0 348.491 0.883 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCCO[C@@H](C[NH2+]CC3CC3)C2)CC1 ZINC001078510869 780060693 /nfs/dbraw/zinc/06/06/93/780060693.db2.gz CLYSYNLDLMEEFC-SFHVURJKSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCCO)[C@H]3C2)CC1 ZINC001042369291 780158088 /nfs/dbraw/zinc/15/80/88/780158088.db2.gz WBIBNMFTVRGMGQ-WMZOPIPTSA-N 2 0 333.476 0.637 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070207968 783659114 /nfs/dbraw/zinc/65/91/14/783659114.db2.gz YDUWTMYPUDVEBD-ZACQAIPSSA-N 2 0 344.463 0.231 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@@H]1n1ccnn1 ZINC001070225952 783694834 /nfs/dbraw/zinc/69/48/34/783694834.db2.gz FVRBWGVUFNOKPQ-CVEARBPZSA-N 2 0 335.371 0.214 20 30 ECEDRP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001070400162 783968694 /nfs/dbraw/zinc/96/86/94/783968694.db2.gz SJYBQZVXVSNVIB-GDBMZVCRSA-N 2 0 329.448 0.933 20 30 ECEDRP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001070432856 784058498 /nfs/dbraw/zinc/05/84/98/784058498.db2.gz SLOXLCCZNIYUGS-AWEZNQCLSA-N 2 0 327.432 0.544 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cn(C)cn1 ZINC001070499230 784196337 /nfs/dbraw/zinc/19/63/37/784196337.db2.gz ISTNXLHVADHYLW-GOEBONIOSA-N 2 0 331.464 0.974 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1c1cn(C)cn1 ZINC001070508381 784205721 /nfs/dbraw/zinc/20/57/21/784205721.db2.gz GENKEFDPSJPWTD-DOTOQJQBSA-N 2 0 341.459 0.566 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001070859906 784759179 /nfs/dbraw/zinc/75/91/79/784759179.db2.gz PMYOXHGJIREDPR-QGZVFWFLSA-N 2 0 348.491 0.391 20 30 ECEDRP CC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@H](C)O2 ZINC001071227335 784785390 /nfs/dbraw/zinc/78/53/90/784785390.db2.gz DFECNMORLSJMCY-LPHOPBHVSA-N 2 0 331.460 0.797 20 30 ECEDRP C=CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700670 787000085 /nfs/dbraw/zinc/00/00/85/787000085.db2.gz SXJXGIPYAXECHK-VIHIWDAPSA-N 2 0 349.475 0.633 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)CC1 ZINC001072680499 788582088 /nfs/dbraw/zinc/58/20/88/788582088.db2.gz WLYRRZJETBDZPD-NVXWUHKLSA-N 2 0 348.491 0.246 20 30 ECEDRP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C2)C1 ZINC001072746483 788702096 /nfs/dbraw/zinc/70/20/96/788702096.db2.gz PQYUQZZCUUYGSL-MSOLQXFVSA-N 2 0 345.487 0.901 20 30 ECEDRP C[C@@H]([NH2+]CC(=O)NCC#N)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001267488122 837553077 /nfs/dbraw/zinc/55/30/77/837553077.db2.gz YSSKBQOYHNARAX-CQSZACIVSA-N 2 0 349.479 0.327 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001267490070 837555682 /nfs/dbraw/zinc/55/56/82/837555682.db2.gz FNEBGYHGYRAKCN-GOEBONIOSA-N 2 0 334.464 0.047 20 30 ECEDRP C=CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267565266 837780472 /nfs/dbraw/zinc/78/04/72/837780472.db2.gz ZBMDDZWZBMCOJM-HOTGVXAUSA-N 2 0 336.480 0.601 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H]2CCc3ncnn32)CC1 ZINC001267117272 836812956 /nfs/dbraw/zinc/81/29/56/836812956.db2.gz PHRRRPDOOBOGPK-INIZCTEOSA-N 2 0 344.463 0.159 20 30 ECEDRP CC[C@H](C(=O)N1CCC(C[N@H+](C)CC(=O)NCC#N)CC1)[NH+](C)C ZINC001267733561 838425968 /nfs/dbraw/zinc/42/59/68/838425968.db2.gz UODSSPAQBXAQSX-OAHLLOKOSA-N 2 0 337.468 0.137 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@@H](CC)CNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267811103 838592910 /nfs/dbraw/zinc/59/29/10/838592910.db2.gz PNWXRRWIOFEEHW-HOTGVXAUSA-N 2 0 348.491 0.886 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CC(=O)N2CCCC2)CC1 ZINC001267831708 838625155 /nfs/dbraw/zinc/62/51/55/838625155.db2.gz SKOUSMGPAYLTRQ-QGZVFWFLSA-N 2 0 348.491 0.438 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001267872689 838668335 /nfs/dbraw/zinc/66/83/35/838668335.db2.gz PSYGAGXCIWXVCQ-LPHOPBHVSA-N 2 0 348.491 0.486 20 30 ECEDRP C[C@H](C[NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000419955217 209260008 /nfs/dbraw/zinc/26/00/08/209260008.db2.gz MTKADHJGCMBNSW-CQSZACIVSA-N 2 0 345.447 0.159 20 30 ECEDRP C#CCN1CCN(C(=O)CN2CCC[C@H](c3ccnc(N)n3)C2)CC1 ZINC000491043284 420608765 /nfs/dbraw/zinc/60/87/65/420608765.db2.gz AFEOLPMRBWBCCQ-HNNXBMFYSA-N 2 0 342.447 0.016 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)C(C)C ZINC000419574186 277849800 /nfs/dbraw/zinc/84/98/00/277849800.db2.gz UDAUHOUEUJHYTL-JKSUJKDBSA-N 2 0 336.480 0.669 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(C#N)c1 ZINC000112362203 436633293 /nfs/dbraw/zinc/63/32/93/436633293.db2.gz AFHHSFZVNPATQQ-UHFFFAOYSA-N 2 0 338.477 0.813 20 30 ECEDRP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262254654 436919412 /nfs/dbraw/zinc/91/94/12/436919412.db2.gz QLVWEIYDMHBLDT-IAGOWNOFSA-N 2 0 348.491 0.767 20 30 ECEDRP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261702054 436883786 /nfs/dbraw/zinc/88/37/86/436883786.db2.gz GHGRODNOQHZZHK-CQSZACIVSA-N 2 0 336.509 0.467 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261934259 436898611 /nfs/dbraw/zinc/89/86/11/436898611.db2.gz CCOUAROKFGMFEF-HZPDHXFCSA-N 2 0 346.479 0.356 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N[C@H]1CCOc2ccccc21 ZINC000262820686 436942899 /nfs/dbraw/zinc/94/28/99/436942899.db2.gz YCFAOMWBZLWBLS-HOCLYGCPSA-N 2 0 329.448 0.675 20 30 ECEDRP CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])N2CCOCC2)CC1 ZINC000264075530 437015147 /nfs/dbraw/zinc/01/51/47/437015147.db2.gz FNAAKQHAJFSOJB-UHFFFAOYSA-N 2 0 345.491 0.971 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182736958 437360836 /nfs/dbraw/zinc/36/08/36/437360836.db2.gz MQGHFUNLUWZZDJ-UHFFFAOYSA-N 2 0 337.512 0.916 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000343733026 437640593 /nfs/dbraw/zinc/64/05/93/437640593.db2.gz AHJJJSPCWKVHDV-NVXWUHKLSA-N 2 0 348.491 0.696 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000343743958 437644415 /nfs/dbraw/zinc/64/44/15/437644415.db2.gz WTMIBBXNZMWAMH-KRWDZBQOSA-N 2 0 348.491 0.840 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000355141594 437675255 /nfs/dbraw/zinc/67/52/55/437675255.db2.gz VCUBRPJUUGRKPW-HNNXBMFYSA-N 2 0 334.464 0.496 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000341091625 437790252 /nfs/dbraw/zinc/79/02/52/437790252.db2.gz OZRPYMDZQHQOBG-INIZCTEOSA-N 2 0 337.512 0.820 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000342103624 437968066 /nfs/dbraw/zinc/96/80/66/437968066.db2.gz IHGUBLTXYDEXEB-CQSZACIVSA-N 2 0 336.480 0.742 20 30 ECEDRP CCN(C[C@@H](C)C#N)C(=O)CN1CCC(N2CCN(C)CC2=O)CC1 ZINC000371638233 437969650 /nfs/dbraw/zinc/96/96/50/437969650.db2.gz PMBQBZXGYIMWFY-HNNXBMFYSA-N 2 0 349.479 0.233 20 30 ECEDRP N#Cc1cccc(C2([NH2+]CCC(=O)N3CC[NH2+]CC3)CCOCC2)c1 ZINC000595908882 438883662 /nfs/dbraw/zinc/88/36/62/438883662.db2.gz JDAWLGWZJPHLTB-UHFFFAOYSA-N 2 0 342.443 0.975 20 30 ECEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000602520029 439103839 /nfs/dbraw/zinc/10/38/39/439103839.db2.gz FWSBLQZJPGPFQP-SJORKVTESA-N 2 0 328.416 0.755 20 30 ECEDRP C#CCNC(=O)CC[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000491485957 439390860 /nfs/dbraw/zinc/39/08/60/439390860.db2.gz RRYJSPFJNMYFKB-UHFFFAOYSA-N 2 0 330.432 0.207 20 30 ECEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000491652181 439418807 /nfs/dbraw/zinc/41/88/07/439418807.db2.gz AIMAFOQBEMRIQE-QGZVFWFLSA-N 2 0 335.496 0.363 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000491660208 439422545 /nfs/dbraw/zinc/42/25/45/439422545.db2.gz NXCACXZCCAAVLT-MRXNPFEDSA-N 2 0 336.480 0.742 20 30 ECEDRP C#CCN1C(=O)C[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000491699767 439430173 /nfs/dbraw/zinc/43/01/73/439430173.db2.gz CPAATOFYIZRFAU-MRXNPFEDSA-N 2 0 333.432 0.324 20 30 ECEDRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000600715231 439693966 /nfs/dbraw/zinc/69/39/66/439693966.db2.gz AJWNWKWEBNJNNL-GOSISDBHSA-N 2 0 346.475 0.915 20 30 ECEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600719089 439696263 /nfs/dbraw/zinc/69/62/63/439696263.db2.gz BOAFWTKFLJGJCQ-RDJZCZTQSA-N 2 0 332.448 0.523 20 30 ECEDRP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732607 439862711 /nfs/dbraw/zinc/86/27/11/439862711.db2.gz FOHYFIOLDXHIMD-AEFFLSMTSA-N 2 0 336.480 0.207 20 30 ECEDRP N#Cc1ccc(OC[C@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000564452280 322375623 /nfs/dbraw/zinc/37/56/23/322375623.db2.gz DMNWWTNGVYMUNP-IAGOWNOFSA-N 2 0 333.432 0.734 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621846258 546576324 /nfs/dbraw/zinc/57/63/24/546576324.db2.gz YQSSKFDXECGSTI-KSSFIOAISA-N 2 0 334.464 0.483 20 30 ECEDRP C[NH+]=C(NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)NCCN1CCOCC1 ZINC000104168642 586221728 /nfs/dbraw/zinc/22/17/28/586221728.db2.gz GDFGDEQIPLXELN-CALCHBBNSA-N 2 0 339.528 0.852 20 30 ECEDRP C=CCN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903722286 586801521 /nfs/dbraw/zinc/80/15/21/586801521.db2.gz KDCPLWWHFAVUAF-GJZGRUSLSA-N 2 0 328.478 0.820 20 30 ECEDRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3C[NH2+]C[C@@H]3C#N)c2)CC1 ZINC000844194938 589102318 /nfs/dbraw/zinc/10/23/18/589102318.db2.gz OFSNRURGRGPHAL-IRXDYDNUSA-N 2 0 327.432 0.275 20 30 ECEDRP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000846342229 589197337 /nfs/dbraw/zinc/19/73/37/589197337.db2.gz HQIJXTLMPMHKIT-ZDUSSCGKSA-N 2 0 343.431 0.102 20 30 ECEDRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852871586 589520298 /nfs/dbraw/zinc/52/02/98/589520298.db2.gz TXCVFQSADZYVPL-UHFFFAOYSA-N 2 0 328.416 0.789 20 30 ECEDRP C[C@@H]1C[N@@H+](CCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H](C)O1 ZINC000884183692 590765757 /nfs/dbraw/zinc/76/57/57/590765757.db2.gz UDUWZRFGZRKJLK-MYCCOQIQSA-N 2 0 334.464 0.741 20 30 ECEDRP CN(C)CC[NH+]1CCC(CNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884199849 590771282 /nfs/dbraw/zinc/77/12/82/590771282.db2.gz LZUPENRXHJUJTQ-HFCFLWKCSA-N 2 0 347.507 0.516 20 30 ECEDRP C[NH+]=C(NCC[N@H+](C)C(C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073777333 611367319 /nfs/dbraw/zinc/36/73/19/611367319.db2.gz GFYWAUFFHKHUEM-HNNXBMFYSA-N 2 0 339.484 0.225 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000925173801 611459029 /nfs/dbraw/zinc/45/90/29/611459029.db2.gz ZIHNKJCZFGBZQM-HOTGVXAUSA-N 2 0 336.505 0.963 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1C(=O)c2ccccc2C1=O ZINC000170909022 609754192 /nfs/dbraw/zinc/75/41/92/609754192.db2.gz HTNCDWBRGIJQRF-ZDUSSCGKSA-N 2 0 343.431 0.671 20 30 ECEDRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@H](C#N)C1 ZINC000912534422 609966676 /nfs/dbraw/zinc/96/66/76/609966676.db2.gz CIIIXEXPOWPUKO-OAHLLOKOSA-N 2 0 337.468 0.233 20 30 ECEDRP C#CCN(C(=O)NCCCC[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000919509036 610046653 /nfs/dbraw/zinc/04/66/53/610046653.db2.gz KLYUTWYYTCRWTC-UHFFFAOYSA-N 2 0 349.523 0.753 20 30 ECEDRP C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000923551689 611259898 /nfs/dbraw/zinc/25/98/98/611259898.db2.gz CUPJOAQXIWKSJC-KSZLIROESA-N 2 0 343.475 0.669 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000954630748 612468277 /nfs/dbraw/zinc/46/82/77/612468277.db2.gz IJCLFCAWFOUJLO-WBVHZDCISA-N 2 0 346.475 0.095 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](CC(=O)NC)C3)C2)CC1 ZINC001041844773 782326363 /nfs/dbraw/zinc/32/63/63/782326363.db2.gz MUMPKSZWAOFLQN-LJQANCHMSA-N 2 0 346.475 0.002 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC000970333863 733376616 /nfs/dbraw/zinc/37/66/16/733376616.db2.gz BHCYFKLHDXAFBH-IAGOWNOFSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CCC[NH2+]CC1(CCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001167425839 734218761 /nfs/dbraw/zinc/21/87/61/734218761.db2.gz LOWMTRPNWRWFFA-UHFFFAOYSA-N 2 0 331.464 0.958 20 30 ECEDRP C=CCN1CC[C@@H]([NH+](C)[C@@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC000971688267 734949445 /nfs/dbraw/zinc/94/94/45/734949445.db2.gz VKNINEAARIZIEP-IAGOWNOFSA-N 2 0 348.491 0.790 20 30 ECEDRP CN(C)C(=O)CNC(=[NH+]C1CC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262292550 736484192 /nfs/dbraw/zinc/48/41/92/736484192.db2.gz LOTVUAASVVVKEQ-OAHLLOKOSA-N 2 0 335.496 0.990 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2O)CC1 ZINC001078228101 782525319 /nfs/dbraw/zinc/52/53/19/782525319.db2.gz CTFCUKBBJKCKSJ-RTBURBONSA-N 2 0 341.455 0.693 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC000973295340 739059737 /nfs/dbraw/zinc/05/97/37/739059737.db2.gz WDTHZEKFXVDNOF-QAQDUYKDSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001104621751 739232062 /nfs/dbraw/zinc/23/20/62/739232062.db2.gz KDIZOLGCJTYFLM-NVXWUHKLSA-N 2 0 348.491 0.152 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC001104809586 740543218 /nfs/dbraw/zinc/54/32/18/740543218.db2.gz LJKVVLDKCCSXLJ-HZPDHXFCSA-N 2 0 338.496 0.705 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000974266033 741198756 /nfs/dbraw/zinc/19/87/56/741198756.db2.gz VLHYXTZSPJYKAV-NXOAAHMSSA-N 2 0 346.475 0.189 20 30 ECEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1 ZINC001105320709 741775086 /nfs/dbraw/zinc/77/50/86/741775086.db2.gz GWVAWJQNRUJLPK-MRXNPFEDSA-N 2 0 334.468 0.913 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nncs2)C1 ZINC001026892920 742036232 /nfs/dbraw/zinc/03/62/32/742036232.db2.gz DWZXFCIQNGSDMT-KBPBESRZSA-N 2 0 333.461 0.574 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2ccn(C)n2)C1 ZINC001026893946 742039747 /nfs/dbraw/zinc/03/97/47/742039747.db2.gz ROCMRSRNGUQDOW-RDJZCZTQSA-N 2 0 329.448 0.456 20 30 ECEDRP C[C@@H]1CC[N@H+](CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996787999 742865260 /nfs/dbraw/zinc/86/52/60/742865260.db2.gz HQMMTIZVCOKZHB-WWDZGPRUSA-N 2 0 347.507 0.897 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001029003356 743155152 /nfs/dbraw/zinc/15/51/52/743155152.db2.gz LUBNDVNKBVOMET-HOCLYGCPSA-N 2 0 334.464 0.034 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([N@@H+](C)Cc2cnn(C)c2)C1 ZINC001027446232 744483157 /nfs/dbraw/zinc/48/31/57/744483157.db2.gz CBQXMFLFMFRHKE-ROUUACIJSA-N 2 0 343.475 0.941 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001000934312 745911666 /nfs/dbraw/zinc/91/16/66/745911666.db2.gz LUWXVUDOKBYCCF-HOTGVXAUSA-N 2 0 334.464 0.450 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC001000992962 745958090 /nfs/dbraw/zinc/95/80/90/745958090.db2.gz OSXAZERRFOTLNC-FUHWJXTLSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CCCC[NH+](C)C)CC1 ZINC001167784885 745965269 /nfs/dbraw/zinc/96/52/69/745965269.db2.gz ZTZADBRHTBXWJC-UHFFFAOYSA-N 2 0 336.480 0.344 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000985120199 747404854 /nfs/dbraw/zinc/40/48/54/747404854.db2.gz PNJXSAGCADWIEE-VGWMRTNUSA-N 2 0 334.464 0.209 20 30 ECEDRP C[NH+]=C(NCc1nnc2n1CCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262458601 747597769 /nfs/dbraw/zinc/59/77/69/747597769.db2.gz LWMWTINWKIWAIT-AWEZNQCLSA-N 2 0 331.468 0.860 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](CCN2CCCC2=O)CC1 ZINC001003056762 748125297 /nfs/dbraw/zinc/12/52/97/748125297.db2.gz SCPLFRDGPGRWBO-KRWDZBQOSA-N 2 0 346.475 0.287 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC001003546883 748668994 /nfs/dbraw/zinc/66/89/94/748668994.db2.gz DXAKPJNLEVHHPL-KRWDZBQOSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001088350310 748871965 /nfs/dbraw/zinc/87/19/65/748871965.db2.gz UJJFGNNXEDUVGL-ISXWCOSWSA-N 2 0 331.460 0.844 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CCc1ccnn1C ZINC001027943916 749676473 /nfs/dbraw/zinc/67/64/73/749676473.db2.gz PDEYIVAOHQGHCU-ROUUACIJSA-N 2 0 343.475 0.641 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[N@@H+](C)CCC)C1 ZINC001100899938 750000857 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0.995 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+][C@@H](C)C(N)=O)CC2)CC1 ZINC001168307895 754268955 /nfs/dbraw/zinc/26/89/55/754268955.db2.gz LFHHHCYWMVOLMD-AWEZNQCLSA-N 2 0 334.464 0.082 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)nn1 ZINC001105376985 754448596 /nfs/dbraw/zinc/44/85/96/754448596.db2.gz NWGBHMKSWFJCKQ-HUUCEWRRSA-N 2 0 344.463 0.647 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168345596 754766193 /nfs/dbraw/zinc/76/61/93/754766193.db2.gz RMNGHBVQSCMOBX-HNNXBMFYSA-N 2 0 336.480 0.341 20 30 ECEDRP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)nn2)C1 ZINC001107210852 757697061 /nfs/dbraw/zinc/69/70/61/757697061.db2.gz GJXODYFSEMGRSW-PBHICJAKSA-N 2 0 346.479 0.915 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)C1=O ZINC000996608126 758205645 /nfs/dbraw/zinc/20/56/45/758205645.db2.gz BOTCPJRMTBTSLE-JKSUJKDBSA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1=O ZINC001022089199 758260998 /nfs/dbraw/zinc/26/09/98/758260998.db2.gz GMMFXCUJDPFNQV-TWMKSMIVSA-N 2 0 346.475 0.352 20 30 ECEDRP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)C1=O ZINC001049217043 758350817 /nfs/dbraw/zinc/35/08/17/758350817.db2.gz JPTGSSIVLOVREP-IXDOHACOSA-N 2 0 346.475 0.259 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC001022293257 758530670 /nfs/dbraw/zinc/53/06/70/758530670.db2.gz SRCOCCSXCJVHSH-FZKCQIBNSA-N 2 0 334.464 0.494 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000996726693 758641850 /nfs/dbraw/zinc/64/18/50/758641850.db2.gz ZDRBIRARDVMVQJ-DLBZAZTESA-N 2 0 348.491 0.838 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001022885732 759251248 /nfs/dbraw/zinc/25/12/48/759251248.db2.gz NEHOWDFJWZOAJR-BBWFWOEESA-N 2 0 348.491 0.742 20 30 ECEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC001050755565 760785099 /nfs/dbraw/zinc/78/50/99/760785099.db2.gz DUQAJRYHZBNADQ-KRWDZBQOSA-N 2 0 333.476 0.902 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001052938493 765386933 /nfs/dbraw/zinc/38/69/33/765386933.db2.gz YRANJIWYHAEGBS-DLBZAZTESA-N 2 0 348.491 0.840 20 30 ECEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001016625268 766622907 /nfs/dbraw/zinc/62/29/07/766622907.db2.gz GFSOMLKWLNZSIM-INIZCTEOSA-N 2 0 329.448 0.662 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046026033 766681238 /nfs/dbraw/zinc/68/12/38/766681238.db2.gz BEIZHJIZTRTWTQ-RBUKOAKNSA-N 2 0 344.503 0.570 20 30 ECEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)C1 ZINC001046035029 766718418 /nfs/dbraw/zinc/71/84/18/766718418.db2.gz BJKRUGZIVHCCFY-SFHVURJKSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC001046039275 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LAEWNBUMBFORSR-CAOSSQGBSA-N 2 0 334.464 0.352 20 30 ECEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001047635599 759362298 /nfs/dbraw/zinc/36/22/98/759362298.db2.gz HWIKENVGTVBMEY-ROUUACIJSA-N 2 0 329.444 0.889 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC[C@@H](C)F)C[C@@H]2O)CC1 ZINC001047638575 759376164 /nfs/dbraw/zinc/37/61/64/759376164.db2.gz ZCRSZXWTILEGDY-PVAVHDDUSA-N 2 0 339.455 0.583 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3CCCO)CC1 ZINC001049921084 759405714 /nfs/dbraw/zinc/40/57/14/759405714.db2.gz UZKRWGPGEIVKKK-QZTJIDSGSA-N 2 0 333.476 0.779 20 30 ECEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001083668781 760853760 /nfs/dbraw/zinc/85/37/60/760853760.db2.gz GLMSRETZWOICHE-MSOLQXFVSA-N 2 0 329.444 0.589 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]3C2)C1=O ZINC001048723762 761045280 /nfs/dbraw/zinc/04/52/80/761045280.db2.gz OTJUJDSEAFCMFU-VVLHAWIVSA-N 2 0 346.475 0.258 20 30 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437327226 /nfs/dbraw/zinc/32/72/26/437327226.db2.gz FAQMFNPVBDAPHR-HNNXBMFYSA-N 2 0 331.468 0.788 20 30 ECEDRP [NH2+]=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N1CCOCC1 ZINC000267477560 437327847 /nfs/dbraw/zinc/32/78/47/437327847.db2.gz ZQQJMYQIKNYUSG-UHFFFAOYSA-N 2 0 332.448 0.790 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000343769160 437650597 /nfs/dbraw/zinc/65/05/97/437650597.db2.gz SGSAIYXAZMBKQL-MRXNPFEDSA-N 2 0 348.491 0.886 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000343766977 437650801 /nfs/dbraw/zinc/65/08/01/437650801.db2.gz PQBMNCOKCMRURJ-UHFFFAOYSA-N 2 0 334.464 0.521 20 30 ECEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000578006806 438888081 /nfs/dbraw/zinc/88/80/81/438888081.db2.gz UEWGHRBRFJDOFJ-KURKYZTESA-N 2 0 338.496 0.550 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000490627625 439281155 /nfs/dbraw/zinc/28/11/55/439281155.db2.gz DGMWWDIIEHEFLT-GOSISDBHSA-N 2 0 332.492 0.570 20 30 ECEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000594443227 439563034 /nfs/dbraw/zinc/56/30/34/439563034.db2.gz BCOZDSHGHFPEQZ-NEPJUHHUSA-N 2 0 335.374 0.350 20 30 ECEDRP C[NH+]1CCC(C[NH2+]C[C@H](O)CC2(C#N)CC2)(N2CCOCC2)CC1 ZINC000600735874 439697386 /nfs/dbraw/zinc/69/73/86/439697386.db2.gz MIQHRTYFXOIICS-MRXNPFEDSA-N 2 0 336.480 0.427 20 30 ECEDRP C=CC[C@]1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]1 ZINC000662774271 439883163 /nfs/dbraw/zinc/88/31/63/439883163.db2.gz QCZRGWKGIDBHCJ-TZMCWYRMSA-N 2 0 334.386 0.637 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cccc(CC#N)c1 ZINC000619481845 546331861 /nfs/dbraw/zinc/33/18/61/546331861.db2.gz NNHDHFLVEYRZET-UHFFFAOYSA-N 2 0 338.477 0.867 20 30 ECEDRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)cc2)CC1 ZINC000834490546 588903086 /nfs/dbraw/zinc/90/30/86/588903086.db2.gz VRNRKSDQVICABX-WBVHZDCISA-N 2 0 327.432 0.670 20 30 ECEDRP C[NH+]=C(NCCN1CCOCC1)NCC1([NH+](C)C)CCCCC1 ZINC000849053390 589318803 /nfs/dbraw/zinc/31/88/03/589318803.db2.gz DJJMHJTUKICHGY-UHFFFAOYSA-N 2 0 325.501 0.748 20 30 ECEDRP CN1CCN(c2cc[nH+]cc2NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873524 589520920 /nfs/dbraw/zinc/52/09/20/589520920.db2.gz XREXCYVUPSANRI-UHFFFAOYSA-N 2 0 327.432 0.775 20 30 ECEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(=C)C[NH+](C)C ZINC000855081962 589619900 /nfs/dbraw/zinc/61/99/00/589619900.db2.gz RRRYMLHRZUPNRZ-HZPDHXFCSA-N 2 0 336.480 0.766 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875182323 590279224 /nfs/dbraw/zinc/27/92/24/590279224.db2.gz KVIKEKDUQJCFLU-RDJZCZTQSA-N 2 0 348.491 0.696 20 30 ECEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000876744434 590407827 /nfs/dbraw/zinc/40/78/27/590407827.db2.gz SPNZCNSGINFKRX-NUJGCVRESA-N 2 0 340.427 0.724 20 30 ECEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000876781912 590414501 /nfs/dbraw/zinc/41/45/01/590414501.db2.gz RKCOYRNCSKMHAG-CQSZACIVSA-N 2 0 337.855 0.920 20 30 ECEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000876786714 590415919 /nfs/dbraw/zinc/41/59/19/590415919.db2.gz BMVJGYSJWIMFJZ-HZSPNIEDSA-N 2 0 342.871 0.563 20 30 ECEDRP C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000884328619 590806490 /nfs/dbraw/zinc/80/64/90/590806490.db2.gz UQGJTGQKAGWVJV-BPUTZDHNSA-N 2 0 335.448 0.908 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CC#N)n1 ZINC000890150056 591136662 /nfs/dbraw/zinc/13/66/62/591136662.db2.gz UJPMCOTUXVRUML-UHFFFAOYSA-N 2 0 346.435 0.038 20 30 ECEDRP C#CCN(C(=O)C(=O)N1CC[C@H]([NH+](CC)CC)C1)C1CC[NH+](C)CC1 ZINC000910885807 609773620 /nfs/dbraw/zinc/77/36/20/609773620.db2.gz NXJJNNABPODBMF-KRWDZBQOSA-N 2 0 348.491 0.485 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000911236902 609829694 /nfs/dbraw/zinc/82/96/94/609829694.db2.gz VVPQZZZDVJCSRO-LJQANCHMSA-N 2 0 348.491 0.888 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH3+])[C@@H](C)C2)CC1 ZINC000911237358 609830110 /nfs/dbraw/zinc/83/01/10/609830110.db2.gz WGUCVTBQORBYDV-LSDHHAIUSA-N 2 0 336.480 0.586 20 30 ECEDRP C#CCN(C(=O)NCCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000914098550 609852457 /nfs/dbraw/zinc/85/24/57/609852457.db2.gz GUFCQNDVTPLNSC-UHFFFAOYSA-N 2 0 336.480 0.838 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC000940962103 610467402 /nfs/dbraw/zinc/46/74/02/610467402.db2.gz KKOUYXQRQHOMEA-SJORKVTESA-N 2 0 348.491 0.389 20 30 ECEDRP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091701 610532494 /nfs/dbraw/zinc/53/24/94/610532494.db2.gz XYSDTRCSCPZNHY-INIZCTEOSA-N 2 0 331.464 0.908 20 30 ECEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058433 610636539 /nfs/dbraw/zinc/63/65/39/610636539.db2.gz XTYCLRRAZGGNIJ-HZPDHXFCSA-N 2 0 331.464 0.908 20 30 ECEDRP C#CCN(C(=O)C(=O)NCC1CC[NH+](CC)CC1)C1CC[NH+](C)CC1 ZINC000929644435 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PJKNJTRXUYDLHQ-JKSUJKDBSA-N 2 0 331.464 0.908 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001026043575 740336417 /nfs/dbraw/zinc/33/64/17/740336417.db2.gz NVZSNMWJNRJCET-ZNFSNMQZSA-N 2 0 346.475 0.162 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001026043572 740336643 /nfs/dbraw/zinc/33/66/43/740336643.db2.gz NVZSNMWJNRJCET-LFRCEIEQSA-N 2 0 346.475 0.162 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001105011930 741162889 /nfs/dbraw/zinc/16/28/89/741162889.db2.gz VPDOOQUDTHJRIT-HZPDHXFCSA-N 2 0 336.480 0.459 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCN1CCCC1=O ZINC001038369693 741337642 /nfs/dbraw/zinc/33/76/42/741337642.db2.gz WWOAGTJZTUPLAN-IRXDYDNUSA-N 2 0 346.475 0.287 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1ccccc1 ZINC001211709129 751720171 /nfs/dbraw/zinc/72/01/71/751720171.db2.gz DQQGIMIJVSZEKI-ZWKOTPCHSA-N 2 0 329.444 0.782 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1=O ZINC000997000382 743111811 /nfs/dbraw/zinc/11/18/11/743111811.db2.gz PSWHXWAYJRLASM-RDJZCZTQSA-N 2 0 348.491 0.838 20 30 ECEDRP C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261968304 743197139 /nfs/dbraw/zinc/19/71/39/743197139.db2.gz MAJYWUNBLWLMOO-TZMCWYRMSA-N 2 0 331.468 0.762 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000997304161 743466312 /nfs/dbraw/zinc/46/63/12/743466312.db2.gz QRYUADNZIWGGPP-ZBFHGGJFSA-N 2 0 334.464 0.306 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000997306338 743468775 /nfs/dbraw/zinc/46/87/75/743468775.db2.gz DRWHAGXQDSTMLA-MRXNPFEDSA-N 2 0 334.464 0.450 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)C2)C1=O ZINC001020588747 751850617 /nfs/dbraw/zinc/85/06/17/751850617.db2.gz LAEWNBUMBFORSR-KLHDSHLOSA-N 2 0 334.464 0.352 20 30 ECEDRP C#CCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000977301205 744846305 /nfs/dbraw/zinc/84/63/05/744846305.db2.gz GPRKYOLFNMXJPP-MRXNPFEDSA-N 2 0 331.464 0.908 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@H](CC)C(N)=O)C2)CC1 ZINC001000990745 745957011 /nfs/dbraw/zinc/95/70/11/745957011.db2.gz DKEPQQIBPWLCJM-JKSUJKDBSA-N 2 0 334.464 0.176 20 30 ECEDRP CC#CCNCc1cn(C2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105361016 752064831 /nfs/dbraw/zinc/06/48/31/752064831.db2.gz NIZJPBGOXJDMGH-AWEZNQCLSA-N 2 0 330.436 0.116 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001001454550 746393351 /nfs/dbraw/zinc/39/33/51/746393351.db2.gz XTWPMCSGXCQMFX-SJORKVTESA-N 2 0 346.475 0.473 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002125378 747006269 /nfs/dbraw/zinc/00/62/69/747006269.db2.gz JJQIWNQALOAPBB-IRXDYDNUSA-N 2 0 348.491 0.553 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O 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ZINC001046035787 766722725 /nfs/dbraw/zinc/72/27/25/766722725.db2.gz SRMPLMDWDNITSY-MOPGFXCFSA-N 2 0 346.519 0.816 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCCO)CC3)CC1 ZINC000992512449 766750147 /nfs/dbraw/zinc/75/01/47/766750147.db2.gz SIKXRKHKQRCRAD-IEBWSBKVSA-N 2 0 333.476 0.827 20 30 ECEDRP CN1CCO[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219938 767086736 /nfs/dbraw/zinc/08/67/36/767086736.db2.gz QYGOJLKMTHRODG-IEBWSBKVSA-N 2 0 342.443 0.969 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC000992927799 767800062 /nfs/dbraw/zinc/80/00/62/767800062.db2.gz VSTTZSATAYAHIT-ULQDDVLXSA-N 2 0 346.475 0.034 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC001106633351 768530189 /nfs/dbraw/zinc/53/01/89/768530189.db2.gz GRWRVIVPLHIIHM-BFYDXBDKSA-N 2 0 336.480 0.006 20 30 ECEDRP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106880254 770526602 /nfs/dbraw/zinc/52/66/02/770526602.db2.gz FVUCWEBRGATXQB-HZPDHXFCSA-N 2 0 327.469 0.451 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC001019560341 771487116 /nfs/dbraw/zinc/48/71/16/771487116.db2.gz BHCYFKLHDXAFBH-DLBZAZTESA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001045646444 775959639 /nfs/dbraw/zinc/95/96/39/775959639.db2.gz JCWPIZSCBLEGAY-MRXNPFEDSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001045685596 776041143 /nfs/dbraw/zinc/04/11/43/776041143.db2.gz JNUWQUKKKHYQHF-DLBZAZTESA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1CC ZINC001037938236 783714931 /nfs/dbraw/zinc/71/49/31/783714931.db2.gz STNRJXPQMBUYAH-RDJZCZTQSA-N 2 0 331.464 0.908 20 30 ECEDRP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001070400163 783968746 /nfs/dbraw/zinc/96/87/46/783968746.db2.gz SJYBQZVXVSNVIB-GOEBONIOSA-N 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CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N)[NH+](C)C ZINC001266650208 836084996 /nfs/dbraw/zinc/08/49/96/836084996.db2.gz LMWDVMPJNPVZOF-JALIKCBVSA-N 2 0 335.452 0.078 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001267012128 836611559 /nfs/dbraw/zinc/61/15/59/836611559.db2.gz XLVGXUOELDHFPU-INIZCTEOSA-N 2 0 348.491 0.862 20 30 ECEDRP C=CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001267191438 836953026 /nfs/dbraw/zinc/95/30/26/836953026.db2.gz VHOSMNYIBOOHLG-GOEBONIOSA-N 2 0 338.496 0.846 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NCCN(C)[C@@H](C)C(=O)NCC(C)C ZINC001267200134 836972024 /nfs/dbraw/zinc/97/20/24/836972024.db2.gz FQWNJGZZQDHYEW-HOTGVXAUSA-N 2 0 336.480 0.293 20 30 ECEDRP C=CCN1CC[C@H](N(CC)CCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001267245825 837060947 /nfs/dbraw/zinc/06/09/47/837060947.db2.gz UTBRXOZDGFQDOX-INIZCTEOSA-N 2 0 348.491 0.840 20 30 ECEDRP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267659267 838179768 /nfs/dbraw/zinc/17/97/68/838179768.db2.gz YGGPXTJECKJTMK-HOTGVXAUSA-N 2 0 334.464 0.000 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)CC(=O)NC)CC2)CC1 ZINC001267758700 838483376 /nfs/dbraw/zinc/48/33/76/838483376.db2.gz QNONKTAFFCTXOP-UHFFFAOYSA-N 2 0 348.491 0.248 20 30 ECEDRP C#CCNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267767715 838505782 /nfs/dbraw/zinc/50/57/82/838505782.db2.gz QWJYHRGAOZKGRK-GDBMZVCRSA-N 2 0 334.464 0.141 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001268070013 839264290 /nfs/dbraw/zinc/26/42/90/839264290.db2.gz BFKUIDMSVRLNMF-ZDUSSCGKSA-N 2 0 343.431 0.995 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCc1ccc(OC)cc1 ZINC000264095066 276377936 /nfs/dbraw/zinc/37/79/36/276377936.db2.gz MJOBGQBWLZOUOF-HNNXBMFYSA-N 2 0 347.463 0.700 20 30 ECEDRP COc1ccc(CCNC(=[NH2+])NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000103338607 436554245 /nfs/dbraw/zinc/55/42/45/436554245.db2.gz HCSKFSYOILTROP-HNNXBMFYSA-N 2 0 333.480 0.778 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000112362243 436633309 /nfs/dbraw/zinc/63/33/09/436633309.db2.gz UAAZDMVVTJBCIR-UHFFFAOYSA-N 2 0 325.438 0.067 20 30 ECEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000262567946 436938598 /nfs/dbraw/zinc/93/85/98/436938598.db2.gz MILRUZGLEQCZLE-OAHLLOKOSA-N 2 0 343.479 0.658 20 30 ECEDRP COc1ccccc1CNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000170906953 436960782 /nfs/dbraw/zinc/96/07/82/436960782.db2.gz DNPJPEQMCKZPDK-OAHLLOKOSA-N 2 0 333.480 0.983 20 30 ECEDRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264077660 437014775 /nfs/dbraw/zinc/01/47/75/437014775.db2.gz HQRDNPRISYIGEK-OAHLLOKOSA-N 2 0 333.480 0.873 20 30 ECEDRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@H]1CN(C)CCO1)C2 ZINC000329182998 437329588 /nfs/dbraw/zinc/32/95/88/437329588.db2.gz FMGCQIDFDBEMSL-JALIKCBVSA-N 2 0 338.452 0.357 20 30 ECEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000330165829 437463595 /nfs/dbraw/zinc/46/35/95/437463595.db2.gz UVNDLHXNGPPREZ-HIFRSBDPSA-N 2 0 329.514 0.173 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000343762958 437650146 /nfs/dbraw/zinc/65/01/46/437650146.db2.gz JDTUXFSLIHWJFU-GOEBONIOSA-N 2 0 336.480 0.694 20 30 ECEDRP CNC(=O)NC(=O)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000331211869 437717571 /nfs/dbraw/zinc/71/75/71/437717571.db2.gz ZGAWAQWGUCMVJL-UHFFFAOYSA-N 2 0 339.484 0.527 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000363031187 437766312 /nfs/dbraw/zinc/76/63/12/437766312.db2.gz BBUBWPVZXRFCKW-UHFFFAOYSA-N 2 0 333.476 0.902 20 30 ECEDRP CCN(C[C@@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548832516 438734081 /nfs/dbraw/zinc/73/40/81/438734081.db2.gz PVKUWLNQYDIVMG-AWEZNQCLSA-N 2 0 333.502 0.138 20 30 ECEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000578741224 438950405 /nfs/dbraw/zinc/95/04/05/438950405.db2.gz MHTNAKUXKCBGSV-NVXWUHKLSA-N 2 0 332.448 0.523 20 30 ECEDRP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000518171997 438989086 /nfs/dbraw/zinc/98/90/86/438989086.db2.gz LPGPGOIECNMUQW-MOPGFXCFSA-N 2 0 346.475 0.549 20 30 ECEDRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cn2)CC1 ZINC000567381926 439138121 /nfs/dbraw/zinc/13/81/21/439138121.db2.gz RHPLMSZQQVVNJL-HNNXBMFYSA-N 2 0 330.436 0.471 20 30 ECEDRP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000567681668 439164520 /nfs/dbraw/zinc/16/45/20/439164520.db2.gz YJAGWOAVFVYLIE-KRWDZBQOSA-N 2 0 346.479 0.129 20 30 ECEDRP C#CCN1CCN(C(=O)CN2CCC[C@H]([C@H](O)C(F)(F)F)C2)CC1 ZINC000491673351 439424744 /nfs/dbraw/zinc/42/47/44/439424744.db2.gz IJMXGALIGYKCBD-ZFWWWQNUSA-N 2 0 347.381 0.399 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000491690587 439427990 /nfs/dbraw/zinc/42/79/90/439427990.db2.gz MMFOYMOUFFSGKK-UHFFFAOYSA-N 2 0 344.459 0.983 20 30 ECEDRP C[NH+]1CCN(c2ccc(C=[NH+]N[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000771551410 579190532 /nfs/dbraw/zinc/19/05/32/579190532.db2.gz ARRCLQSZWOIGII-HNNXBMFYSA-N 2 0 336.461 0.549 20 30 ECEDRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841016057 588976136 /nfs/dbraw/zinc/97/61/36/588976136.db2.gz CPLVFOLPCGPQEN-YOEHRIQHSA-N 2 0 342.447 0.980 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000892851334 586296348 /nfs/dbraw/zinc/29/63/48/586296348.db2.gz GYQRJNGJUWJUDI-UHFFFAOYSA-N 2 0 337.512 0.916 20 30 ECEDRP C=C(CC[NH+](C)C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000900229569 586533274 /nfs/dbraw/zinc/53/32/74/586533274.db2.gz PBHUMUVCEHJAHB-UHFFFAOYSA-N 2 0 331.464 0.958 20 30 ECEDRP C[NH+](C)CCCNC(=S)NN=C1CC[NH+](CC(C)(C)O)CC1 ZINC000814221833 587271673 /nfs/dbraw/zinc/27/16/73/587271673.db2.gz ONMDXDOPHDTMFT-UHFFFAOYSA-N 2 0 329.514 0.625 20 30 ECEDRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3C[NH2+]C[C@@H]3C#N)cc2)CC1 ZINC000844195694 589102457 /nfs/dbraw/zinc/10/24/57/589102457.db2.gz YCBVOZGFPGKZCI-DLBZAZTESA-N 2 0 327.432 0.275 20 30 ECEDRP C[NH+]=C(NCc1ccco1)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000849109863 589320341 /nfs/dbraw/zinc/32/03/41/589320341.db2.gz JZCNYOBTFPMJCE-UHFFFAOYSA-N 2 0 349.479 0.741 20 30 ECEDRP C=CC[C@@]1(C(=O)N2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCC[NH2+]1 ZINC000872253819 590107937 /nfs/dbraw/zinc/10/79/37/590107937.db2.gz KDXTWFMLUDBEKM-VKJFTORMSA-N 2 0 348.447 0.468 20 30 ECEDRP C=CC[C@@]1(C(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCC[NH2+]1 ZINC000872305088 590112720 /nfs/dbraw/zinc/11/27/20/590112720.db2.gz RQYAYXDRJZKQAP-LOUJCGABSA-N 2 0 334.420 0.078 20 30 ECEDRP C#CC[N@@H+](C)CCCNC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000875622220 590316478 /nfs/dbraw/zinc/31/64/78/590316478.db2.gz GCBAZUNRGIDVMM-UHFFFAOYSA-N 2 0 338.496 0.941 20 30 ECEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000876512313 590384313 /nfs/dbraw/zinc/38/43/13/590384313.db2.gz LKAOTQGKZHSNHT-OLZOCXBDSA-N 2 0 328.844 0.127 20 30 ECEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000876877154 590421110 /nfs/dbraw/zinc/42/11/10/590421110.db2.gz OLPHOOUZDHEBHT-OAHLLOKOSA-N 2 0 328.888 0.942 20 30 ECEDRP C#CCN(C(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)C1CC[NH+](C)CC1 ZINC000929930050 611368884 /nfs/dbraw/zinc/36/88/84/611368884.db2.gz UZYFNZJUZIGRRI-OAHLLOKOSA-N 2 0 336.480 0.389 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000927630557 611620976 /nfs/dbraw/zinc/62/09/76/611620976.db2.gz NULWWGKOVANCNO-KRWDZBQOSA-N 2 0 334.464 0.637 20 30 ECEDRP C[NH+](C)CC#CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000913525203 609684129 /nfs/dbraw/zinc/68/41/29/609684129.db2.gz NQARZERDPGJCGK-ZDUSSCGKSA-N 2 0 326.441 0.123 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)C ZINC000911204268 609824554 /nfs/dbraw/zinc/82/45/54/609824554.db2.gz ZNFUSBBAIIFHIK-TWMKSMIVSA-N 2 0 348.491 0.810 20 30 ECEDRP C#CCN(C(=O)NCC(C)(C)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000913997216 609842162 /nfs/dbraw/zinc/84/21/62/609842162.db2.gz JULMRLJDSRXZQJ-UHFFFAOYSA-N 2 0 349.523 0.751 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000913998414 609842261 /nfs/dbraw/zinc/84/22/61/609842261.db2.gz LWBBPXHPVWJLRF-GOSISDBHSA-N 2 0 349.523 0.655 20 30 ECEDRP C[NH+]=C(NCC[C@H](C)[NH+]1CCCCC1)NCCN1CCOCC1 ZINC000181499823 610236801 /nfs/dbraw/zinc/23/68/01/610236801.db2.gz BSEKIMMJKPHHMO-INIZCTEOSA-N 2 0 325.501 0.748 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000941239451 610623337 /nfs/dbraw/zinc/62/33/37/610623337.db2.gz OLIJPIQEPCNHLI-DOTOQJQBSA-N 2 0 335.492 0.929 20 30 ECEDRP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407574 731814778 /nfs/dbraw/zinc/81/47/78/731814778.db2.gz KRNGCEMIOBJCCJ-MYMJJRTCSA-N 2 0 325.840 0.793 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC000969626804 732007953 /nfs/dbraw/zinc/00/79/53/732007953.db2.gz HGJADFPYHKMNCJ-OAGGEKHMSA-N 2 0 334.464 0.448 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001167251261 733095887 /nfs/dbraw/zinc/09/58/87/733095887.db2.gz OWBWXWIHZOQWCB-CABCVRRESA-N 2 0 338.496 0.893 20 30 ECEDRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC1 ZINC001203158693 736289114 /nfs/dbraw/zinc/28/91/14/736289114.db2.gz LAQGUTZTMCLKLP-UHFFFAOYSA-N 2 0 349.479 0.327 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC001023128767 736524352 /nfs/dbraw/zinc/52/43/52/736524352.db2.gz RQKKKQMWVPHZPC-IYBDPMFKSA-N 2 0 329.448 0.502 20 30 ECEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001023372255 736752126 /nfs/dbraw/zinc/75/21/26/736752126.db2.gz PRSHHFWTXCTVNR-INIZCTEOSA-N 2 0 331.464 0.910 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001023761929 737326715 /nfs/dbraw/zinc/32/67/15/737326715.db2.gz MVLBARDEDFUJEW-HUUCEWRRSA-N 2 0 334.464 0.034 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001067466639 737624388 /nfs/dbraw/zinc/62/43/88/737624388.db2.gz ADPFCMHITDQRMK-KRWDZBQOSA-N 2 0 348.491 0.487 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)Cc2[nH]cnc2C)C[C@H]1C ZINC001104954624 741025127 /nfs/dbraw/zinc/02/51/27/741025127.db2.gz KSRKVSUVCCGVCO-UKRRQHHQSA-N 2 0 347.463 0.637 20 30 ECEDRP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326808 741805715 /nfs/dbraw/zinc/80/57/15/741805715.db2.gz GZMKCSOIWHDXDB-WMLDXEAASA-N 2 0 346.479 0.915 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cc(OC)no2)C1 ZINC001026893950 742039347 /nfs/dbraw/zinc/03/93/47/742039347.db2.gz RTOQCNXDXKYQMH-HOCLYGCPSA-N 2 0 346.431 0.719 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001020541644 751778719 /nfs/dbraw/zinc/77/87/19/751778719.db2.gz HRNFCXMZRKXPLW-BZUAXINKSA-N 2 0 334.464 0.352 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001027173119 743005342 /nfs/dbraw/zinc/00/53/42/743005342.db2.gz KQLALNGGGAJJBE-CVEARBPZSA-N 2 0 346.475 0.307 20 30 ECEDRP C[NH+]=C(NCCC1CC[NH+](C)CC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261966237 743194564 /nfs/dbraw/zinc/19/45/64/743194564.db2.gz LNHNRKMIZWLWHD-UHFFFAOYSA-N 2 0 344.525 0.803 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)CC1 ZINC000997362903 743535043 /nfs/dbraw/zinc/53/50/43/743535043.db2.gz DQWRVQBYATUVAS-MRXNPFEDSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@@]2(C)C1 ZINC000982282813 751861393 /nfs/dbraw/zinc/86/13/93/751861393.db2.gz ICEDEUIYYBGQJP-RWQQGDIJSA-N 2 0 331.460 0.653 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC000999373165 744663597 /nfs/dbraw/zinc/66/35/97/744663597.db2.gz FQHITJOCVPVYJN-DOTOQJQBSA-N 2 0 348.491 0.838 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC000999869145 744969937 /nfs/dbraw/zinc/96/99/37/744969937.db2.gz FCVGYKIIGUUBSF-UHFFFAOYSA-N 2 0 344.463 0.239 20 30 ECEDRP CN(C)C(=O)CNC(N[C@@H]1CCN(C2CC2)C1)=[NH+]C1CCOCC1 ZINC000262251417 746663270 /nfs/dbraw/zinc/66/32/70/746663270.db2.gz CALQAWDCVQBNBC-CQSZACIVSA-N 2 0 337.468 0.026 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001002473359 747402352 /nfs/dbraw/zinc/40/23/52/747402352.db2.gz DZAFRJCQOAUAOM-HZPDHXFCSA-N 2 0 334.464 0.448 20 30 ECEDRP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]2C1 ZINC000980181173 749116576 /nfs/dbraw/zinc/11/65/76/749116576.db2.gz CDHKJTAJSKKMHA-XYJFISCASA-N 2 0 343.475 0.908 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001051348713 761927835 /nfs/dbraw/zinc/92/78/35/761927835.db2.gz DZWFZCUYNKXALB-IXDOHACOSA-N 2 0 348.491 0.838 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168145921 749700477 /nfs/dbraw/zinc/70/04/77/749700477.db2.gz BCYSGLCQAIRYKH-HUUCEWRRSA-N 2 0 336.480 0.505 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCn3cncn3)[C@H]2C)CC1 ZINC000987567631 750970227 /nfs/dbraw/zinc/97/02/27/750970227.db2.gz FTORQFCKXOCGAV-WBVHZDCISA-N 2 0 344.463 0.202 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnnn3C)[C@@H]2C)CC1 ZINC000987575019 750976774 /nfs/dbraw/zinc/97/67/74/750976774.db2.gz HNWJIWAKHFAOKG-WMLDXEAASA-N 2 0 344.463 0.239 20 30 ECEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982807442 753800891 /nfs/dbraw/zinc/80/08/91/753800891.db2.gz FLZFCIOIYXMKRF-YTQUADARSA-N 2 0 333.476 0.758 20 30 ECEDRP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@]2(C)C1 ZINC000982807441 753801184 /nfs/dbraw/zinc/80/11/84/753801184.db2.gz FLZFCIOIYXMKRF-QRQLOZEOSA-N 2 0 333.476 0.758 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC001028604061 753901344 /nfs/dbraw/zinc/90/13/44/753901344.db2.gz PNEXRWAMQHQNCD-AEFFLSMTSA-N 2 0 341.459 0.821 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C[C@H]2C)CC1 ZINC000989829654 754483562 /nfs/dbraw/zinc/48/35/62/754483562.db2.gz UQFQMVHSDGAWDT-WBVHZDCISA-N 2 0 343.475 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCn3cncn3)C[C@H]2C)CC1 ZINC000989829132 754498511 /nfs/dbraw/zinc/49/85/11/754498511.db2.gz OJKDCYYTDYYSJT-NVXWUHKLSA-N 2 0 344.463 0.202 20 30 ECEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C3(C[NH+](C)C)CC3)[C@H]2C(C)C)C[C@H]1O ZINC001105652233 755192661 /nfs/dbraw/zinc/19/26/61/755192661.db2.gz LGFGZRBWQBUCCO-WWNBULGVSA-N 2 0 347.503 0.928 20 30 ECEDRP CC#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105660674 755277246 /nfs/dbraw/zinc/27/72/46/755277246.db2.gz XVYXZJPCYUIROZ-RWQQGDIJSA-N 2 0 335.492 0.928 20 30 ECEDRP C#CC[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 ZINC001105672646 755786064 /nfs/dbraw/zinc/78/60/64/755786064.db2.gz CHTBPPGVPFTCAN-PSBWJHGTSA-N 2 0 335.492 0.926 20 30 ECEDRP C=C(C)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070691 756056260 /nfs/dbraw/zinc/05/62/60/756056260.db2.gz WVAYYPNXACRRIU-RWBIUQBRSA-N 2 0 331.460 0.958 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](C)COC)C[C@H]32)CC1 ZINC001076605729 756724652 /nfs/dbraw/zinc/72/46/52/756724652.db2.gz PSJKAWDPLGSCFS-RYQLBKOJSA-N 2 0 333.476 0.899 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@H]4CCOC4)C[C@H]32)CC1 ZINC001076605897 756725608 /nfs/dbraw/zinc/72/56/08/756725608.db2.gz YPPZXBBOMIYPOS-NZSAHSFTSA-N 2 0 345.487 0.901 20 30 ECEDRP CC#CC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001048891624 757314254 /nfs/dbraw/zinc/31/42/54/757314254.db2.gz VBPAVYGBICVIIR-CALCHBBNSA-N 2 0 333.476 0.758 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+][C@@H](CC)C(N)=O)C(C)(C)C2)CC1 ZINC000996669462 758430733 /nfs/dbraw/zinc/43/07/33/758430733.db2.gz GAHOAZCWDJRVKB-HOTGVXAUSA-N 2 0 348.491 0.422 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+][C@H](CC)C(N)=O)C(C)(C)C2)CC1 ZINC000996669463 758430800 /nfs/dbraw/zinc/43/08/00/758430800.db2.gz GAHOAZCWDJRVKB-HZPDHXFCSA-N 2 0 348.491 0.422 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1=O ZINC000996677574 758448296 /nfs/dbraw/zinc/44/82/96/758448296.db2.gz LGNXMZMGYBQGOQ-IAGOWNOFSA-N 2 0 348.491 0.694 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCCN(C)C2=O)CC1 ZINC000996683365 758464123 /nfs/dbraw/zinc/46/41/23/758464123.db2.gz BXEADPSDFILUCP-IRXDYDNUSA-N 2 0 346.475 0.285 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049608791 758987803 /nfs/dbraw/zinc/98/78/03/758987803.db2.gz FAXUBPKYKWMOPK-MOXMWUHRSA-N 2 0 343.471 0.938 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001107032929 759344937 /nfs/dbraw/zinc/34/49/37/759344937.db2.gz BIYLJLRYNIXJRG-IAGOWNOFSA-N 2 0 348.491 0.296 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@]3(CC[N@@H+](CCO)C3)C2)CC1 ZINC001054244937 767861428 /nfs/dbraw/zinc/86/14/28/767861428.db2.gz LLAMZTSVPDOQIA-LJQANCHMSA-N 2 0 333.476 0.638 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046849056 763226878 /nfs/dbraw/zinc/22/68/78/763226878.db2.gz ADPMLSGVSIRRRK-VQIMIIECSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001046849054 763227263 /nfs/dbraw/zinc/22/72/63/763227263.db2.gz ADPMLSGVSIRRRK-LPHOPBHVSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001046850008 763228353 /nfs/dbraw/zinc/22/83/53/763228353.db2.gz NHRKFENCDGKRCA-QFBILLFUSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001046850005 763228998 /nfs/dbraw/zinc/22/89/98/763228998.db2.gz NHRKFENCDGKRCA-APWZRJJASA-N 2 0 333.476 0.949 20 30 ECEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695641 763563582 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HYZFSQOPDLKIEC-LJQANCHMSA-N 2 0 346.519 0.959 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127260296 766924998 /nfs/dbraw/zinc/92/49/98/766924998.db2.gz AYIPGNWUCBUKRN-IAGOWNOFSA-N 2 0 348.491 0.767 20 30 ECEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001077566547 767196808 /nfs/dbraw/zinc/19/68/08/767196808.db2.gz FPDJURHLARIXED-OAGGEKHMSA-N 2 0 325.453 0.223 20 30 ECEDRP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC000992829531 767653470 /nfs/dbraw/zinc/65/34/70/767653470.db2.gz DXABIMZZSBTBBX-RYQLBKOJSA-N 2 0 343.475 0.908 20 30 ECEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001055632512 769308074 /nfs/dbraw/zinc/30/80/74/769308074.db2.gz WTXGAVQSYHWWQE-IIAWOOMASA-N 2 0 349.479 0.183 20 30 ECEDRP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001055644965 769333073 /nfs/dbraw/zinc/33/30/73/769333073.db2.gz KFFUTPUOGMCCHQ-HUUCEWRRSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cn(C)nc3C)C2)CC1 ZINC001019814006 771829089 /nfs/dbraw/zinc/82/90/89/771829089.db2.gz QBVMRLXXCYXXPP-SFHVURJKSA-N 2 0 343.475 0.764 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccn(CC)n3)C2)CC1 ZINC001019815496 771831081 /nfs/dbraw/zinc/83/10/81/771831081.db2.gz HDAGOJVLQWAIMU-SFHVURJKSA-N 2 0 343.475 0.939 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC001019815684 771831091 /nfs/dbraw/zinc/83/10/91/771831091.db2.gz KKLSCRAJLXIYDM-AEFFLSMTSA-N 2 0 333.476 0.949 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)C1=O ZINC001020144233 772212975 /nfs/dbraw/zinc/21/29/75/772212975.db2.gz WFAZQNFWQXJEIR-QAETUUGQSA-N 2 0 348.491 0.883 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(OC)ccn2)C1 ZINC001020250715 772351041 /nfs/dbraw/zinc/35/10/41/772351041.db2.gz MKTLJDWVUDGVRI-MPGHIAIKSA-N 2 0 342.443 0.925 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC001045390661 775526090 /nfs/dbraw/zinc/52/60/90/775526090.db2.gz TVWOXDDWCXVETF-JKSUJKDBSA-N 2 0 348.491 0.838 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(C)(NC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001045390658 775526216 /nfs/dbraw/zinc/52/62/16/775526216.db2.gz TVWOXDDWCXVETF-CVEARBPZSA-N 2 0 348.491 0.838 20 30 ECEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001045506555 775713505 /nfs/dbraw/zinc/71/35/05/775713505.db2.gz RKEQKHUSTHQPTQ-WUJZJPHMSA-N 2 0 331.460 0.844 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001045639937 775946852 /nfs/dbraw/zinc/94/68/52/775946852.db2.gz VPEUWJMTTLVBEG-JKSUJKDBSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CCC)C[C@@H]1n1ccnn1 ZINC001070206141 783655653 /nfs/dbraw/zinc/65/56/53/783655653.db2.gz IOJFYCNMMZAKKN-OAGGEKHMSA-N 2 0 330.436 0.127 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070212914 783669170 /nfs/dbraw/zinc/66/91/70/783669170.db2.gz XNDQSJVKIROABE-OAGGEKHMSA-N 2 0 332.452 0.680 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(N)=O)[C@H](CC)C2)CC1 ZINC001037981125 783753514 /nfs/dbraw/zinc/75/35/14/783753514.db2.gz CCSKFMHKNLOZIV-ZBFHGGJFSA-N 2 0 334.464 0.034 20 30 ECEDRP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001070382798 783920525 /nfs/dbraw/zinc/92/05/25/783920525.db2.gz RKOFYUFIYWHDLE-JZXOWHBKSA-N 2 0 346.475 0.047 20 30 ECEDRP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001070434189 784061409 /nfs/dbraw/zinc/06/14/09/784061409.db2.gz OUUXKJHNZBWSOJ-CABCVRRESA-N 2 0 329.448 0.790 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070533827 784238234 /nfs/dbraw/zinc/23/82/34/784238234.db2.gz SCKXFMPSFPGUOZ-HLLBOEOZSA-N 2 0 331.464 0.974 20 30 ECEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001071062317 784500784 /nfs/dbraw/zinc/50/07/84/784500784.db2.gz WADULHKNZUFLME-KURKYZTESA-N 2 0 333.476 0.946 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@H]4CCC[N@H+]4C)C3)C2)C1=O ZINC001072553642 786358513 /nfs/dbraw/zinc/35/85/13/786358513.db2.gz GGZXUPRMGBXRAV-CVEARBPZSA-N 2 0 346.475 0.402 20 30 ECEDRP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073741964 787098396 /nfs/dbraw/zinc/09/83/96/787098396.db2.gz ZLJSZOYMNKOCBY-SJORKVTESA-N 2 0 337.464 0.326 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cccc(OC)n2)CC1 ZINC001267475124 837504589 /nfs/dbraw/zinc/50/45/89/837504589.db2.gz XBDYALGWROFTSR-UHFFFAOYSA-N 2 0 344.459 0.983 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001266591367 836021908 /nfs/dbraw/zinc/02/19/08/836021908.db2.gz IRRZAZGZFBLLKH-KLHDSHLOSA-N 2 0 336.480 0.787 20 30 ECEDRP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266750349 836240661 /nfs/dbraw/zinc/24/06/61/836240661.db2.gz VGOYNHILMWWBDD-AEFFLSMTSA-N 2 0 333.476 0.806 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]cn1 ZINC001266868298 836413024 /nfs/dbraw/zinc/41/30/24/836413024.db2.gz DZAWZLKKQIWPEB-HNNXBMFYSA-N 2 0 331.420 0.062 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001266871129 836416481 /nfs/dbraw/zinc/41/64/81/836416481.db2.gz SZFCHXDGASSTOE-JKSUJKDBSA-N 2 0 334.464 0.191 20 30 ECEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001267402083 837343624 /nfs/dbraw/zinc/34/36/24/837343624.db2.gz ZLCNXPAVYVNUOZ-UHFFFAOYSA-N 2 0 342.403 0.231 20 30 ECEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001267944736 838832400 /nfs/dbraw/zinc/83/24/00/838832400.db2.gz JWCNGJBCVPFBIH-INIZCTEOSA-N 2 0 349.479 0.329 20 30 ECEDRP N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(Cl)c1 ZINC000420455013 209370124 /nfs/dbraw/zinc/37/01/24/209370124.db2.gz LWCXPSQRZMZKCD-UHFFFAOYSA-N 2 0 330.841 0.900 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419734540 275738370 /nfs/dbraw/zinc/73/83/70/275738370.db2.gz VBJCTAUPUZRUQD-ZBFHGGJFSA-N 2 0 336.480 0.777 20 30 ECEDRP C[N@@H+]1CC[C@H](CNC2=[NH+]C[C@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120489 436405379 /nfs/dbraw/zinc/40/53/79/436405379.db2.gz DPJJEZWPHPPVLD-KGLIPLIRSA-N 2 0 337.468 0.819 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270574326 436674659 /nfs/dbraw/zinc/67/46/59/436674659.db2.gz OECQKLRUMMUDPS-INIZCTEOSA-N 3 0 348.495 0.911 20 30 ECEDRP C[NH+]1CCN(c2ccc(CNC(=[NH2+])NC[C@H]3CCCO3)cn2)CC1 ZINC000161487511 436891060 /nfs/dbraw/zinc/89/10/60/436891060.db2.gz NEOWUPPAISWYQJ-OAHLLOKOSA-N 2 0 332.452 0.417 20 30 ECEDRP C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262533025 436938791 /nfs/dbraw/zinc/93/87/91/436938791.db2.gz IVQXTIDJGFFDCI-CQSZACIVSA-N 2 0 333.436 0.565 20 30 ECEDRP C[NH+]=C(NCCc1c[nH]c2ccccc12)NC[C@H]1C[NH+]2CCN1CC2 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OAOJVERPUFGEGY-HIFRSBDPSA-N 2 0 337.468 0.183 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC000993851247 769754679 /nfs/dbraw/zinc/75/46/79/769754679.db2.gz BSPQBFALJCVLOD-QGZVFWFLSA-N 2 0 348.491 0.245 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127480074 771315014 /nfs/dbraw/zinc/31/50/14/771315014.db2.gz IAQAOLYBUHUIRJ-MRXNPFEDSA-N 2 0 334.464 0.235 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001019814074 771829255 /nfs/dbraw/zinc/82/92/55/771829255.db2.gz RHZAUNPRFLLNJE-KRWDZBQOSA-N 2 0 329.448 0.456 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1=O ZINC001020161524 772231185 /nfs/dbraw/zinc/23/11/85/772231185.db2.gz GMMFXCUJDPFNQV-QBPKDAKJSA-N 2 0 346.475 0.352 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)C1=O ZINC001045067825 774926094 /nfs/dbraw/zinc/92/60/94/774926094.db2.gz AEOBAZJSNCZBRA-HOTGVXAUSA-N 2 0 348.491 0.838 20 30 ECEDRP C#CC[NH+]1CCC2(CO[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001045685851 776041223 /nfs/dbraw/zinc/04/12/23/776041223.db2.gz YYMKUXCACXXUIE-INIZCTEOSA-N 2 0 331.460 0.703 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CC[N@@H+](CCOC)[C@H]3C2)CC1 ZINC001042369695 780159078 /nfs/dbraw/zinc/15/90/78/780159078.db2.gz ZZGZCRVYXHITNZ-WMZOPIPTSA-N 2 0 333.476 0.901 20 30 ECEDRP C#CCC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489279 781618446 /nfs/dbraw/zinc/61/84/46/781618446.db2.gz SHEXQPYETFQGPN-NSPNGIHDSA-N 2 0 343.471 0.797 20 30 ECEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1CC ZINC001037843140 783634346 /nfs/dbraw/zinc/63/43/46/783634346.db2.gz FIGTUHOCCRTITR-HZPDHXFCSA-N 2 0 331.464 0.908 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C[C@@H]1n1ccnn1 ZINC001070258466 783757042 /nfs/dbraw/zinc/75/70/42/783757042.db2.gz WHXOHRNEQYQBFV-BBWFWOEESA-N 2 0 346.479 0.928 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C 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/nfs/dbraw/zinc/85/40/42/836854042.db2.gz LTVRHVITMJDYAU-OAHLLOKOSA-N 2 0 325.453 0.231 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)C[C@H]2CCNC(=O)CC2)CC1 ZINC001267233069 837038300 /nfs/dbraw/zinc/03/83/00/837038300.db2.gz PYHOTXQCQBVRFZ-MRXNPFEDSA-N 2 0 348.491 0.296 20 30 ECEDRP C=CCN1CC[C@@H](N2CC[C@H](N(CC)C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001267790970 838570645 /nfs/dbraw/zinc/57/06/45/838570645.db2.gz UDAHUVXEKKYWIO-DLBZAZTESA-N 2 0 348.491 0.792 20 30 ECEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001267944737 838832107 /nfs/dbraw/zinc/83/21/07/838832107.db2.gz JWCNGJBCVPFBIH-MRXNPFEDSA-N 2 0 349.479 0.329 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000343743986 254688856 /nfs/dbraw/zinc/68/88/56/254688856.db2.gz XBRLMETYSINKLD-MRXNPFEDSA-N 2 0 348.491 0.697 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1sccc1C#N ZINC000551100232 302352888 /nfs/dbraw/zinc/35/28/88/302352888.db2.gz LMCOUHQJHOGVRO-UHFFFAOYSA-N 2 0 337.449 0.510 20 30 ECEDRP C[NH+]1CCC(C)(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000272357034 436712818 /nfs/dbraw/zinc/71/28/18/436712818.db2.gz DNVAEIJYOCNRJA-UHFFFAOYSA-N 2 0 331.468 0.645 20 30 ECEDRP C[NH+]=C(NC[C@H](C)[N@H+](C)C1CC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261800718 436890419 /nfs/dbraw/zinc/89/04/19/436890419.db2.gz RSXINKZDPOKWMR-ZDUSSCGKSA-N 2 0 347.467 0.127 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccc2c(c1)OCO2 ZINC000262754177 436942224 /nfs/dbraw/zinc/94/22/24/436942224.db2.gz AQBWVNBDPLDXLY-OAHLLOKOSA-N 2 0 345.447 0.422 20 30 ECEDRP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264096021 437017138 /nfs/dbraw/zinc/01/71/38/437017138.db2.gz MSPDRXWLOBJUJG-HNNXBMFYSA-N 3 0 334.468 0.533 20 30 ECEDRP COc1ccc(CCNC(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)cc1OC ZINC000178991137 437247375 /nfs/dbraw/zinc/24/73/75/437247375.db2.gz QAGUMQCWHMZXJL-HNNXBMFYSA-N 2 0 347.463 0.150 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000333367714 437269979 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20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000377640213 438315488 /nfs/dbraw/zinc/31/54/88/438315488.db2.gz MICBGXRGDJCHNP-LJQANCHMSA-N 2 0 346.519 0.959 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419737384 438369379 /nfs/dbraw/zinc/36/93/79/438369379.db2.gz XYGRQFQASXRPAG-GDBMZVCRSA-N 2 0 336.480 0.871 20 30 ECEDRP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423078979 438635542 /nfs/dbraw/zinc/63/55/42/438635542.db2.gz XCHIKRLKCQUYEB-MRXNPFEDSA-N 2 0 343.431 0.008 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)C ZINC000577474805 438843662 /nfs/dbraw/zinc/84/36/62/438843662.db2.gz LGMFFIKJQDBLDN-SJORKVTESA-N 2 0 337.512 0.969 20 30 ECEDRP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1 ZINC000563137672 438859593 /nfs/dbraw/zinc/85/95/93/438859593.db2.gz HMNALKLUHLHNLB-RTBURBONSA-N 2 0 346.475 0.202 20 30 ECEDRP Cc1c(C#N)cccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C 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ECEDRP C=CCN1CC[C@H]([N@@H+](C)C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000985793457 749115251 /nfs/dbraw/zinc/11/52/51/749115251.db2.gz RRKQIBFWSOBODJ-KRWDZBQOSA-N 2 0 348.491 0.792 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001004149946 749263140 /nfs/dbraw/zinc/26/31/40/749263140.db2.gz OMQDHQTUHGRFPA-ZBFHGGJFSA-N 2 0 334.464 0.306 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001004149944 749263273 /nfs/dbraw/zinc/26/32/73/749263273.db2.gz OMQDHQTUHGRFPA-GOEBONIOSA-N 2 0 334.464 0.306 20 30 ECEDRP C=CCN1CC[C@@H](N2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1=O ZINC000981332586 750591045 /nfs/dbraw/zinc/59/10/45/750591045.db2.gz CCFPZJNITUDMHM-IAGOWNOFSA-N 2 0 348.491 0.648 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC1 ZINC001021091971 752532181 /nfs/dbraw/zinc/53/21/81/752532181.db2.gz ADJNEIGRGVZXGA-ULQDDVLXSA-N 2 0 346.475 0.189 20 30 ECEDRP 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ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070500819 784197338 /nfs/dbraw/zinc/19/73/38/784197338.db2.gz JHMHMCHDAWZMEU-USXIJHARSA-N 2 0 329.448 0.278 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC)C2)CC1 ZINC001070567995 784285559 /nfs/dbraw/zinc/28/55/59/784285559.db2.gz UHIUUWJGLRADIN-FUHWJXTLSA-N 2 0 343.475 0.669 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070629334 784460754 /nfs/dbraw/zinc/46/07/54/784460754.db2.gz GCJVNIJWOACMBL-BZUAXINKSA-N 2 0 331.464 0.974 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1cncn1C ZINC001070661048 784516606 /nfs/dbraw/zinc/51/66/06/784516606.db2.gz VZDVNNNVBLHGJH-OAGGEKHMSA-N 2 0 331.464 0.974 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070710621 784579703 /nfs/dbraw/zinc/57/97/03/784579703.db2.gz KMSMILPQSAOHDS-ARFHVFGLSA-N 2 0 331.464 0.832 20 30 ECEDRP 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325.526 0.827 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000081355653 436344313 /nfs/dbraw/zinc/34/43/13/436344313.db2.gz LXYFHVOJJVAWIY-OAHLLOKOSA-N 2 0 336.480 0.553 20 30 ECEDRP C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000112904099 436634694 /nfs/dbraw/zinc/63/46/94/436634694.db2.gz YDVKYIJHGHFFAT-MRXNPFEDSA-N 2 0 334.464 0.145 20 30 ECEDRP C#CCC[NH+]1CCN(C/C=C/CN2CC[NH+](CCC#C)CC2)CC1 ZINC000272066937 436702668 /nfs/dbraw/zinc/70/26/68/436702668.db2.gz YCHIDYQUMJMOMR-BQYQJAHWSA-N 2 0 328.504 0.824 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000333156327 437260037 /nfs/dbraw/zinc/26/00/37/437260037.db2.gz FSRXJMSXMUQOEQ-QGZVFWFLSA-N 2 0 335.496 0.716 20 30 ECEDRP CN1CCO[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000330174704 437464910 /nfs/dbraw/zinc/46/49/10/437464910.db2.gz IMSVRSVTAVAEGW-OAGGEKHMSA-N 2 0 340.468 0.198 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)CC1 ZINC000343742810 437645241 /nfs/dbraw/zinc/64/52/41/437645241.db2.gz SEXYEXBEEYSZQL-INIZCTEOSA-N 2 0 336.480 0.696 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000342032898 437947295 /nfs/dbraw/zinc/94/72/95/437947295.db2.gz IFPSWIOMRWKDKS-INIZCTEOSA-N 2 0 336.480 0.744 20 30 ECEDRP COC(=O)[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000342117359 437972094 /nfs/dbraw/zinc/97/20/94/437972094.db2.gz AVFNSJMAVGQGFM-GEEKYZPCSA-N 2 0 336.432 0.757 20 30 ECEDRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC(=O)NCC#N)CC2)CC1 ZINC000430927625 438131758 /nfs/dbraw/zinc/13/17/58/438131758.db2.gz JANMVBBGCFNAKP-UHFFFAOYSA-N 2 0 335.496 0.754 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419728737 438369595 /nfs/dbraw/zinc/36/95/95/438369595.db2.gz NPPWIWKFIBMFST-INIZCTEOSA-N 2 0 336.480 0.777 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000369280557 438449408 /nfs/dbraw/zinc/44/94/08/438449408.db2.gz RHQRZAGXIBHJKY-KRWDZBQOSA-N 2 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758205009 /nfs/dbraw/zinc/20/50/09/758205009.db2.gz BOTCPJRMTBTSLE-CVEARBPZSA-N 2 0 348.491 0.696 20 30 ECEDRP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127777663 758600145 /nfs/dbraw/zinc/60/01/45/758600145.db2.gz APUMDVXBOIBLDX-IRXDYDNUSA-N 2 0 328.416 0.627 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001022363590 758627572 /nfs/dbraw/zinc/62/75/72/758627572.db2.gz UEERWUMFVSCUOH-OWCLPIDISA-N 2 0 346.475 0.639 20 30 ECEDRP C[NH+]=C(NCCN1CCOCC1)NCC1(C[NH+](C)C)CCCC1 ZINC000183833362 764059875 /nfs/dbraw/zinc/05/98/75/764059875.db2.gz UNXWDERFECVZSB-UHFFFAOYSA-N 2 0 325.501 0.606 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000995228033 764104857 /nfs/dbraw/zinc/10/48/57/764104857.db2.gz HAFGEKYRXACAHP-GOEBONIOSA-N 2 0 345.447 0.789 20 30 ECEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001047592350 764808615 /nfs/dbraw/zinc/80/86/15/764808615.db2.gz LACRERHQCWKKPY-ROUUACIJSA-N 2 0 333.476 0.635 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)CC2)C1=O ZINC001052938504 765388095 /nfs/dbraw/zinc/38/80/95/765388095.db2.gz YRANJIWYHAEGBS-SJORKVTESA-N 2 0 348.491 0.840 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127344082 768336621 /nfs/dbraw/zinc/33/66/21/768336621.db2.gz FSUMGIAVLIXNFA-HZPDHXFCSA-N 2 0 348.491 0.485 20 30 ECEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)C1 ZINC001046028614 766691283 /nfs/dbraw/zinc/69/12/83/766691283.db2.gz CYHFWBFMCVIWCV-ZWKOTPCHSA-N 2 0 332.492 0.711 20 30 ECEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046073342 766885494 /nfs/dbraw/zinc/88/54/94/766885494.db2.gz BWFOFCIZIXDGAA-SFHVURJKSA-N 2 0 332.492 0.570 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001018985269 770481193 /nfs/dbraw/zinc/48/11/93/770481193.db2.gz OSNSPUQMTXIPAU-IRXDYDNUSA-N 2 0 329.448 0.251 20 30 ECEDRP 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C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001266903392 836459850 /nfs/dbraw/zinc/45/98/50/836459850.db2.gz JZAKESBGYPWJDU-FIDHJVLJSA-N 2 0 348.491 0.291 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cccnc2OC)CC1 ZINC001267117745 836815294 /nfs/dbraw/zinc/81/52/94/836815294.db2.gz WOMPDSDTUXWPCZ-UHFFFAOYSA-N 2 0 344.459 0.983 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+][C@H](C)c2nncn2C)CC1 ZINC001267154440 836861632 /nfs/dbraw/zinc/86/16/32/836861632.db2.gz DBMJIOXMDAVJAT-LSDHHAIUSA-N 2 0 346.479 0.706 20 30 ECEDRP C=CCN1CC[C@H](N2CC[C@H](N(CC)C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001267790972 838570386 /nfs/dbraw/zinc/57/03/86/838570386.db2.gz UDAHUVXEKKYWIO-IRXDYDNUSA-N 2 0 348.491 0.792 20 30 ECEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267928937 838806355 /nfs/dbraw/zinc/80/63/55/838806355.db2.gz HGFBKHLXFUOMEC-JYJNAYRXSA-N 2 0 336.480 0.647 20 30 ECEDRP C[NH+]=C(NCCc1c[nH]c2ccccc12)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262765643 273481548 /nfs/dbraw/zinc/48/15/48/273481548.db2.gz KSHAVDURAMFBFB-MRXNPFEDSA-N 2 0 340.475 0.875 20 30 ECEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000329280674 290086679 /nfs/dbraw/zinc/08/66/79/290086679.db2.gz MEGKAVUFWGLGLF-IJEWVQPXSA-N 2 0 344.525 0.725 20 30 ECEDRP C[C@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000330423416 298274361 /nfs/dbraw/zinc/27/43/61/298274361.db2.gz QZONVKRBYIWJEF-CQSZACIVSA-N 2 0 345.513 0.423 20 30 ECEDRP Cc1ccc(C#N)cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000114739727 436643048 /nfs/dbraw/zinc/64/30/48/436643048.db2.gz AOXWYTGRNHWDBU-UHFFFAOYSA-N 2 0 338.477 0.981 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC[C@](C)(O)c1cc(C)oc1C ZINC000261928509 436896001 /nfs/dbraw/zinc/89/60/01/436896001.db2.gz JJTNZKAPKYEEHW-QAPCUYQASA-N 2 0 349.479 0.269 20 30 ECEDRP C[NH+](C)CCNC(=O)c1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000264098507 437017011 /nfs/dbraw/zinc/01/70/11/437017011.db2.gz NDMRNYKOALETKN-UHFFFAOYSA-N 2 0 333.436 0.125 20 30 ECEDRP CCOC(=O)N1CCC(NC(=[NH2+])NCC2CC[NH+](C)CC2)CC1 ZINC000303890101 437156537 /nfs/dbraw/zinc/15/65/37/437156537.db2.gz PXKYCQJMPJWQTI-UHFFFAOYSA-N 2 0 325.457 0.853 20 30 ECEDRP C=CCn1cc(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)nn1 ZINC000425869910 438047679 /nfs/dbraw/zinc/04/76/79/438047679.db2.gz GIKJRMJQQGHCSC-UHFFFAOYSA-N 2 0 349.483 0.632 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419736235 438368736 /nfs/dbraw/zinc/36/87/36/438368736.db2.gz WYQOYDZIJPEEAV-HNNXBMFYSA-N 2 0 336.480 0.647 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413234903 438691815 /nfs/dbraw/zinc/69/18/15/438691815.db2.gz ISRASNHYIWQWGE-CQSZACIVSA-N 2 0 338.452 0.383 20 30 ECEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000578741226 438949011 /nfs/dbraw/zinc/94/90/11/438949011.db2.gz MHTNAKUXKCBGSV-WBVHZDCISA-N 2 0 332.448 0.523 20 30 ECEDRP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498630 439148315 /nfs/dbraw/zinc/14/83/15/439148315.db2.gz HWMDUAFDYJJHKO-GOEBONIOSA-N 2 0 332.452 0.479 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000490636571 439281381 /nfs/dbraw/zinc/28/13/81/439281381.db2.gz NCFCLSGFVJOOGD-UHFFFAOYSA-N 2 0 348.491 0.391 20 30 ECEDRP N#Cc1ccc(N2CCC([NH2+]CC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000583316365 439447971 /nfs/dbraw/zinc/44/79/71/439447971.db2.gz STLDKPNJNPUVLA-UHFFFAOYSA-N 2 0 327.432 0.548 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)CC1 ZINC000491569856 439408265 /nfs/dbraw/zinc/40/82/65/439408265.db2.gz YJCINNSPXPFAKB-MRXNPFEDSA-N 2 0 348.491 0.438 20 30 ECEDRP CC[NH+]1CCC(N2CCCN(S(=O)(=O)CCC#N)CC2)CC1 ZINC000574315792 439698056 /nfs/dbraw/zinc/69/80/56/439698056.db2.gz BIAOSZDJARMIBQ-UHFFFAOYSA-N 2 0 328.482 0.722 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662721264 439857809 /nfs/dbraw/zinc/85/78/09/439857809.db2.gz MYYNOVHHHYCGBO-OAHLLOKOSA-N 2 0 332.452 0.973 20 30 ECEDRP C=CC[C@]1(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CCC[NH2+]1 ZINC000638856513 440634193 /nfs/dbraw/zinc/63/41/93/440634193.db2.gz NMXHSQXPZPZHHN-CRAIPNDOSA-N 2 0 334.464 0.496 20 30 ECEDRP C[NH+](C)CCN1CCC([NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000569361070 322652111 /nfs/dbraw/zinc/65/21/11/322652111.db2.gz HESQOWGNRWUKNU-UHFFFAOYSA-N 2 0 327.436 0.717 20 30 ECEDRP CC(C)[C@H](C(=O)NCC#CCNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000681340655 549251015 /nfs/dbraw/zinc/25/10/15/549251015.db2.gz MSSQAMQMWRDZNX-IYBDPMFKSA-N 2 0 338.496 0.395 20 30 ECEDRP CC[NH+]1CCC(NC(=O)CO[NH+]=C(N)c2ccc(N(C)C)cc2)CC1 ZINC000902218968 586725037 /nfs/dbraw/zinc/72/50/37/586725037.db2.gz SFBTXCSEJFSHQH-UHFFFAOYSA-N 2 0 347.463 0.990 20 30 ECEDRP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000849105484 589320440 /nfs/dbraw/zinc/32/04/40/589320440.db2.gz MTUTXLMQOQTIAG-UHFFFAOYSA-N 2 0 325.501 0.606 20 30 ECEDRP C[NH+]=C(NCCCCC[NH+]1CCCC1)NCCN1CCOCC1 ZINC000849112876 589320830 /nfs/dbraw/zinc/32/08/30/589320830.db2.gz GXFWPBONZKAVIO-UHFFFAOYSA-N 2 0 325.501 0.750 20 30 ECEDRP N#Cc1ccc2c(c1)CC[NH2+][C@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876849263 590419330 /nfs/dbraw/zinc/41/93/30/590419330.db2.gz XRNOIVAPKJNIDG-SJLPKXTDSA-N 2 0 339.443 0.251 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000884642820 590881987 /nfs/dbraw/zinc/88/19/87/590881987.db2.gz REICUWOWSSUOLV-HZPDHXFCSA-N 2 0 334.464 0.496 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CC[NH+](CC2CC2)CC1 ZINC000178988235 608844265 /nfs/dbraw/zinc/84/42/65/608844265.db2.gz FGBNMJHWUVKCLA-QGZVFWFLSA-N 3 0 334.512 0.026 20 30 ECEDRP C=C1[C@H](C(=O)NCC2([NH+](C)C)CC2)[C@@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000910931916 609779191 /nfs/dbraw/zinc/77/91/91/609779191.db2.gz SBLOWTOCLBMSBF-OKILXGFUSA-N 2 0 334.464 0.209 20 30 ECEDRP C#CCN(C(=O)N[C@H](C)CN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000917228339 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752414126 /nfs/dbraw/zinc/41/41/26/752414126.db2.gz YPUWKPANSVGEFL-SFHVURJKSA-N 2 0 343.475 0.846 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCCC3=O)C2)CC1 ZINC001021090237 752529991 /nfs/dbraw/zinc/52/99/91/752529991.db2.gz PQTXHOGWYFIZPW-QAQDUYKDSA-N 2 0 346.475 0.191 20 30 ECEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC001051493411 762199742 /nfs/dbraw/zinc/19/97/42/762199742.db2.gz JUGJFPYYOOAODK-ROUUACIJSA-N 2 0 342.443 0.969 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001076597935 756712700 /nfs/dbraw/zinc/71/27/00/756712700.db2.gz SAMPLCYBBRVKHE-INIZCTEOSA-N 2 0 348.491 0.438 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1=O ZINC001022163931 758363831 /nfs/dbraw/zinc/36/38/31/758363831.db2.gz BYSWQOJGNYEXPN-YVSFHVDLSA-N 2 0 348.491 0.885 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@@H]3C2)CC1 ZINC001049235074 758403009 /nfs/dbraw/zinc/40/30/09/758403009.db2.gz 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ECEDRP C#CCN1CC[NH+](C2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000996803971 742894769 /nfs/dbraw/zinc/89/47/69/742894769.db2.gz VVPWSJLPKQVRKT-UHFFFAOYSA-N 2 0 332.492 0.760 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]([C@@H]3CCN(C)C3=O)C2)CC1 ZINC001029003028 743155737 /nfs/dbraw/zinc/15/57/37/743155737.db2.gz GZBOHYGSMKCONF-DOTOQJQBSA-N 2 0 346.475 0.000 20 30 ECEDRP CC[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261959022 743182867 /nfs/dbraw/zinc/18/28/67/743182867.db2.gz JRBMKVJNQJTZJQ-FUHWJXTLSA-N 2 0 337.512 0.700 20 30 ECEDRP C[NH+]=C(NCc1nnc2n1CCCC2)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261968297 743197250 /nfs/dbraw/zinc/19/72/50/743197250.db2.gz MAJYWUNBLWLMOO-GXTWGEPZSA-N 2 0 331.468 0.762 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001027234399 743247036 /nfs/dbraw/zinc/24/70/36/743247036.db2.gz VUUSZFMVRRJUFN-NVXWUHKLSA-N 2 0 346.475 0.048 20 30 ECEDRP C#CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228454 743375568 /nfs/dbraw/zinc/37/55/68/743375568.db2.gz KOWHSWZUTLJOBY-RXHUYCNISA-N 2 0 331.460 0.700 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000997304154 743466267 /nfs/dbraw/zinc/46/62/67/743466267.db2.gz QRYUADNZIWGGPP-GDBMZVCRSA-N 2 0 334.464 0.306 20 30 ECEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261651241 751923846 /nfs/dbraw/zinc/92/38/46/751923846.db2.gz FCEJRNCTYXSZLX-IRXDYDNUSA-N 2 0 337.512 0.558 20 30 ECEDRP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3C)nn2)C1 ZINC000999961201 745103844 /nfs/dbraw/zinc/10/38/44/745103844.db2.gz IHGIIRNLPCHRIU-HZPDHXFCSA-N 2 0 330.436 0.259 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999988348 745144361 /nfs/dbraw/zinc/14/43/61/745144361.db2.gz UDEZLMLNQGAVHT-HYVNUMGLSA-N 2 0 344.463 0.505 20 30 ECEDRP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999996945 745156916 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IVWGKJNZCWBSSD-IAGOWNOFSA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC000984858254 747031483 /nfs/dbraw/zinc/03/14/83/747031483.db2.gz HFVIGHANKXFDKJ-YDHLFZDLSA-N 2 0 331.420 0.224 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H](C)C(=O)N(C)C)CC2)CC1 ZINC001004200544 749306892 /nfs/dbraw/zinc/30/68/92/749306892.db2.gz CNUYPEHUTHNGCJ-OAHLLOKOSA-N 2 0 348.491 0.389 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCn3cccn3)C2)CC1 ZINC000980477212 749628979 /nfs/dbraw/zinc/62/89/79/749628979.db2.gz CYRYDXIZJWNFAL-SFHVURJKSA-N 2 0 343.475 0.761 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnns3)[C@H]2C)CC1 ZINC000987573151 750974562 /nfs/dbraw/zinc/97/45/62/750974562.db2.gz ZCSYSVNUONIKQD-CJNGLKHVSA-N 2 0 347.488 0.962 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(=O)N3CCC3)[C@H]2C)CC1 ZINC000987574689 750977024 /nfs/dbraw/zinc/97/70/24/750977024.db2.gz GPBUCODDAMLUJP-WBVHZDCISA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnc(C)nc3)C2)CC1 ZINC001021089994 752530311 /nfs/dbraw/zinc/53/03/11/752530311.db2.gz KMATXCYGXFWHDQ-IYARVYRRSA-N 2 0 341.459 0.867 20 30 ECEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492643 762197595 /nfs/dbraw/zinc/19/75/95/762197595.db2.gz AZJTYGNBJNEYFI-ROUUACIJSA-N 2 0 342.443 0.969 20 30 ECEDRP C[NH+]=C(NCC(C)(C)N1CCOCC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261752407 753258597 /nfs/dbraw/zinc/25/85/97/753258597.db2.gz MAJVPJQCJNGRMN-GOEBONIOSA-N 2 0 337.512 0.745 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C[C@@H]2C)CC1 ZINC000989828174 754496582 /nfs/dbraw/zinc/49/65/82/754496582.db2.gz ARQHNDBGODVQCS-RDJZCZTQSA-N 2 0 346.475 0.143 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028778483 755084213 /nfs/dbraw/zinc/08/42/13/755084213.db2.gz IEXVLWCJGOGXQH-NVXWUHKLSA-N 2 0 348.491 0.553 20 30 ECEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C[C@H]2C1 ZINC001048860677 757207787 /nfs/dbraw/zinc/20/77/87/757207787.db2.gz AMMFJEOWMQHRNL-JZXOWHBKSA-N 2 0 331.460 0.653 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000996339537 757409699 /nfs/dbraw/zinc/40/96/99/757409699.db2.gz BLNBYFAWWLGPLF-INIZCTEOSA-N 2 0 344.459 0.039 20 30 ECEDRP C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000996592515 758142147 /nfs/dbraw/zinc/14/21/47/758142147.db2.gz LEXYDJOZVSNJSJ-MSOLQXFVSA-N 2 0 333.476 0.947 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001049608784 758988380 /nfs/dbraw/zinc/98/83/80/758988380.db2.gz FAXUBPKYKWMOPK-KZIZELGASA-N 2 0 343.471 0.938 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](C[C@@H](C)O)CC3)CC1 ZINC001050765341 760806959 /nfs/dbraw/zinc/80/69/59/760806959.db2.gz NZEKLDLMXOXSEL-MRXNPFEDSA-N 2 0 333.476 0.637 20 30 ECEDRP CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001047627334 764923617 /nfs/dbraw/zinc/92/36/17/764923617.db2.gz OOFJDVQMNIPGGA-BZSNNMDCSA-N 2 0 342.443 0.513 20 30 ECEDRP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046030170 766696548 /nfs/dbraw/zinc/69/65/48/766696548.db2.gz KZDHAEOMOGXYNU-MSOLQXFVSA-N 2 0 332.492 0.733 20 30 ECEDRP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046042864 766757600 /nfs/dbraw/zinc/75/76/00/766757600.db2.gz OIDOANPXCPGGFP-GOSISDBHSA-N 2 0 344.503 0.857 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001046087406 766930022 /nfs/dbraw/zinc/93/00/22/766930022.db2.gz WQQTZAGANSCCFO-GOSISDBHSA-N 2 0 332.492 0.714 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599920 768483526 /nfs/dbraw/zinc/48/35/26/768483526.db2.gz QNIVZLJLZIPIGY-BZUAXINKSA-N 2 0 336.480 0.150 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCNC(C)=O)CC2)CC1 ZINC001055483834 768912019 /nfs/dbraw/zinc/91/20/19/768912019.db2.gz SEMFARBXRUDKAF-UHFFFAOYSA-N 2 0 334.464 0.048 20 30 ECEDRP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055539488 769056684 /nfs/dbraw/zinc/05/66/84/769056684.db2.gz YMLPBFCEXOGZNF-OAHLLOKOSA-N 2 0 336.480 0.601 20 30 ECEDRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC001055630919 769301696 /nfs/dbraw/zinc/30/16/96/769301696.db2.gz AHKHQUMPEATLFY-CQSZACIVSA-N 2 0 337.468 0.183 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)CC1 ZINC000993855878 769764281 /nfs/dbraw/zinc/76/42/81/769764281.db2.gz VJRPUPJARWGUJF-OAHLLOKOSA-N 2 0 346.475 0.000 20 30 ECEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070077631 790526659 /nfs/dbraw/zinc/52/66/59/790526659.db2.gz LJAAZUSMFHLYSR-CABCVRRESA-N 2 0 330.436 0.292 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192545 783626574 /nfs/dbraw/zinc/62/65/74/783626574.db2.gz BTKNGVFGBQALBT-PMPSAXMXSA-N 2 0 332.452 0.678 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192770 783626596 /nfs/dbraw/zinc/62/65/96/783626596.db2.gz OHJFISXUCNDBEV-OAGGEKHMSA-N 2 0 330.436 0.126 20 30 ECEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@@H]1CC ZINC001037843139 783634780 /nfs/dbraw/zinc/63/47/80/783634780.db2.gz FIGTUHOCCRTITR-HOTGVXAUSA-N 2 0 331.464 0.908 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1n1ccnn1 ZINC001070225999 783695171 /nfs/dbraw/zinc/69/51/71/783695171.db2.gz IPDUSNHQCLHCOV-CABCVRRESA-N 2 0 330.436 0.434 20 30 ECEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928949 790201521 /nfs/dbraw/zinc/20/15/21/790201521.db2.gz NBOZAUGAFJIPCS-ZACQAIPSSA-N 2 0 344.463 0.538 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001267487087 837548866 /nfs/dbraw/zinc/54/88/66/837548866.db2.gz AJYDRNMFCKDUBG-NVXWUHKLSA-N 2 0 348.491 0.437 20 30 ECEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267565264 837780529 /nfs/dbraw/zinc/78/05/29/837780529.db2.gz ZBMDDZWZBMCOJM-CVEARBPZSA-N 2 0 336.480 0.601 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569384 837794741 /nfs/dbraw/zinc/79/47/41/837794741.db2.gz UHSPCXJAQBPGKV-CVEARBPZSA-N 2 0 346.475 0.048 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266951184 836516707 /nfs/dbraw/zinc/51/67/07/836516707.db2.gz ZXPNQWXUZRWXEM-STQMWFEESA-N 2 0 341.415 0.489 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](C)C(=O)NCC=C)C2)CC1 ZINC001267026512 836645547 /nfs/dbraw/zinc/64/55/47/836645547.db2.gz OXUNBBRAGVHOLT-RDJZCZTQSA-N 2 0 346.475 0.213 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001267046904 836674788 /nfs/dbraw/zinc/67/47/88/836674788.db2.gz FTSKFQDGJUFOBG-SJORKVTESA-N 2 0 348.491 0.294 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+][C@@H](C)c2nncn2C)CC1 ZINC001267154438 836861857 /nfs/dbraw/zinc/86/18/57/836861857.db2.gz DBMJIOXMDAVJAT-GJZGRUSLSA-N 2 0 346.479 0.706 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001267184670 836938832 /nfs/dbraw/zinc/93/88/32/836938832.db2.gz CAUOIJSYNMVLHS-OAHLLOKOSA-N 2 0 348.491 0.437 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)N(C)C)C2)CC1 ZINC001267597353 837904267 /nfs/dbraw/zinc/90/42/67/837904267.db2.gz VXMAMBFRSDSPTL-MRXNPFEDSA-N 2 0 348.491 0.200 20 30 ECEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267928936 838806822 /nfs/dbraw/zinc/80/68/22/838806822.db2.gz HGFBKHLXFUOMEC-BZUAXINKSA-N 2 0 336.480 0.647 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267955727 838858937 /nfs/dbraw/zinc/85/89/37/838858937.db2.gz FPJDAEHMXIEOTM-OWCLPIDISA-N 2 0 336.480 0.600 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268069909 839259310 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2 0 349.479 0.006 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001004149943 749262934 /nfs/dbraw/zinc/26/29/34/749262934.db2.gz OMQDHQTUHGRFPA-GDBMZVCRSA-N 2 0 334.464 0.306 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)CCC)CC1 ZINC001167836325 750514815 /nfs/dbraw/zinc/51/48/15/750514815.db2.gz UDEPUPCHAVQGBQ-OAHLLOKOSA-N 2 0 336.480 0.342 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NC[C@@](C)(O)c1cccs1 ZINC000261747322 753178671 /nfs/dbraw/zinc/17/86/71/753178671.db2.gz NBZDQJFIXZRSKD-CZUORRHYSA-N 2 0 339.509 0.366 20 30 ECEDRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC001051492641 762197387 /nfs/dbraw/zinc/19/73/87/762197387.db2.gz AZJTYGNBJNEYFI-MSOLQXFVSA-N 2 0 342.443 0.969 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@@H+](C[C@@H](C)O)C[C@]3(C)C2)CC1 ZINC000982831344 753885055 /nfs/dbraw/zinc/88/50/55/753885055.db2.gz KGMORPASNGMQHJ-AHRSYUTCSA-N 2 0 347.503 0.883 20 30 ECEDRP C[NH+]=C(NCCNS(C)(=O)=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000085503291 754385854 /nfs/dbraw/zinc/38/58/54/754385854.db2.gz OFUGHCSTCUQZTR-UHFFFAOYSA-N 2 0 345.513 0.108 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C[C@@H]2C)CC1 ZINC000989829653 754483658 /nfs/dbraw/zinc/48/36/58/754483658.db2.gz UQFQMVHSDGAWDT-RDJZCZTQSA-N 2 0 343.475 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCn3cccn3)C[C@H]2C)CC1 ZINC000989828771 754498494 /nfs/dbraw/zinc/49/84/94/754498494.db2.gz IPAWCURUHCIMRD-AEFFLSMTSA-N 2 0 343.475 0.807 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCn3cccn3)C2)CC1 ZINC001009627842 755087363 /nfs/dbraw/zinc/08/73/63/755087363.db2.gz OGUIFDHDFHWKGI-GOSISDBHSA-N 2 0 343.475 0.809 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+]([C@@H](C)COC)C[C@@H]3C2)CC1 ZINC001049235946 758405074 /nfs/dbraw/zinc/40/50/74/758405074.db2.gz ZIROSDTYLQZSAU-RYQLBKOJSA-N 2 0 333.476 0.757 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC[C@H](C)F)C[C@@H]2O)CC1 ZINC001047638576 759374992 /nfs/dbraw/zinc/37/49/92/759374992.db2.gz ZCRSZXWTILEGDY-XIRDDKMYSA-N 2 0 339.455 0.583 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC#CCOC)[C@H](C)C2)CC1 ZINC001107034390 759385233 /nfs/dbraw/zinc/38/52/33/759385233.db2.gz YZSMFUPZYASMTA-IEBWSBKVSA-N 2 0 345.487 0.666 20 30 ECEDRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106211067 767933359 /nfs/dbraw/zinc/93/33/59/767933359.db2.gz PNXZPTBRRYXQLZ-OAGGEKHMSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC001048479361 760593237 /nfs/dbraw/zinc/59/32/37/760593237.db2.gz MQBJFYOGGYLKHD-ZBFHGGJFSA-N 2 0 345.447 0.599 20 30 ECEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)CC1 ZINC001052035380 763642006 /nfs/dbraw/zinc/64/20/06/763642006.db2.gz BPCYYWNYHNHMCK-SFHVURJKSA-N 2 0 332.492 0.713 20 30 ECEDRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CN(Cc3cccc(C#N)c3)C[C@@H]2O)C1 ZINC001083780280 764450799 /nfs/dbraw/zinc/45/07/99/764450799.db2.gz QSDDDWKSLKPBPX-QGTPRVQTSA-N 2 0 342.443 0.561 20 30 ECEDRP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106898682 766355119 /nfs/dbraw/zinc/35/51/19/766355119.db2.gz NADLGYBZIMRYAB-HUUCEWRRSA-N 2 0 337.468 0.042 20 30 ECEDRP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046027258 766685822 /nfs/dbraw/zinc/68/58/22/766685822.db2.gz LOWITAUPJRZQIV-RTBURBONSA-N 2 0 344.503 0.570 20 30 ECEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046027256 766686092 /nfs/dbraw/zinc/68/60/92/766686092.db2.gz LOWITAUPJRZQIV-OALUTQOASA-N 2 0 344.503 0.570 20 30 ECEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046042967 766759768 /nfs/dbraw/zinc/75/97/68/766759768.db2.gz QFMZSZLAUXMMMR-KRWDZBQOSA-N 2 0 330.476 0.467 20 30 ECEDRP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047843 766778589 /nfs/dbraw/zinc/77/85/89/766778589.db2.gz YVOPIJOVPIINDZ-OALUTQOASA-N 2 0 344.503 0.713 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC001046047842 766778771 /nfs/dbraw/zinc/77/87/71/766778771.db2.gz YVOPIJOVPIINDZ-MOPGFXCFSA-N 2 0 344.503 0.713 20 30 ECEDRP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1 ZINC001055573998 769157010 /nfs/dbraw/zinc/15/70/10/769157010.db2.gz MDGLGAJBBCFIRM-UHFFFAOYSA-N 2 0 348.491 0.437 20 30 ECEDRP CC[NH+](CC)CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC001055580158 769177341 /nfs/dbraw/zinc/17/73/41/769177341.db2.gz XJPNVKJSXOQBMA-AWEZNQCLSA-N 2 0 337.468 0.185 20 30 ECEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001055631788 769303846 /nfs/dbraw/zinc/30/38/46/769303846.db2.gz KQNXJSCYOOOCDU-CABCVRRESA-N 2 0 349.479 0.185 20 30 ECEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001055632453 769307329 /nfs/dbraw/zinc/30/73/29/769307329.db2.gz VKIZDRZYJQYIFA-ZBFHGGJFSA-N 2 0 349.479 0.327 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC000993855003 769761798 /nfs/dbraw/zinc/76/17/98/769761798.db2.gz LLJNQZSOAWKGGZ-UHFFFAOYSA-N 2 0 346.475 0.000 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070194527 783632303 /nfs/dbraw/zinc/63/23/03/783632303.db2.gz AHBIXDVPTAPVRJ-ZACQAIPSSA-N 2 0 344.463 0.538 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070241539 783726617 /nfs/dbraw/zinc/72/66/17/783726617.db2.gz LAESIWVPXDRFGU-IKGGRYGDSA-N 2 0 344.463 0.680 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001070422737 784035703 /nfs/dbraw/zinc/03/57/03/784035703.db2.gz HKTZPXXWCACVIF-OAHLLOKOSA-N 2 0 329.448 0.790 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CCC[N@H+]4C)C3)C2)C1=O ZINC001072553643 786359042 /nfs/dbraw/zinc/35/90/42/786359042.db2.gz GGZXUPRMGBXRAV-HOTGVXAUSA-N 2 0 346.475 0.402 20 30 ECEDRP C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)C1 ZINC001069840738 790075324 /nfs/dbraw/zinc/07/53/24/790075324.db2.gz MQUIIRASPHIXEW-WBVHZDCISA-N 2 0 341.459 0.451 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CCNC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001267566935 837785943 /nfs/dbraw/zinc/78/59/43/837785943.db2.gz KLLOWXCZDGMPEK-ZBFHGGJFSA-N 2 0 345.447 0.567 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCCN2CC[NH+](CC(=C)C)CC2)CC1 ZINC001266296597 835644527 /nfs/dbraw/zinc/64/45/27/835644527.db2.gz BFWXLJHTQRWXOZ-UHFFFAOYSA-N 2 0 332.492 0.642 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266610151 836044415 /nfs/dbraw/zinc/04/44/15/836044415.db2.gz KRPIIADCBUSQMG-KKUMJFAQSA-N 2 0 336.480 0.788 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266614334 836047774 /nfs/dbraw/zinc/04/77/74/836047774.db2.gz AZEJFQKIJLKIKT-QXKUPLGCSA-N 2 0 334.464 0.091 20 30 ECEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001266626534 836062179 /nfs/dbraw/zinc/06/21/79/836062179.db2.gz NJCUHOZTXRABNT-QAQDUYKDSA-N 2 0 344.459 0.901 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cccnc1OC ZINC001266947791 836509068 /nfs/dbraw/zinc/50/90/68/836509068.db2.gz BHNITPGSZTYLJE-ZBFHGGJFSA-N 2 0 330.432 0.782 20 30 ECEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267002223 836595097 /nfs/dbraw/zinc/59/50/97/836595097.db2.gz GWEVOUCBLPTYID-INIZCTEOSA-N 2 0 348.491 0.438 20 30 ECEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267002213 836595246 /nfs/dbraw/zinc/59/52/46/836595246.db2.gz GSHXOXOWKTVFPZ-IRXDYDNUSA-N 2 0 348.491 0.438 20 30 ECEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267303825 837171574 /nfs/dbraw/zinc/17/15/74/837171574.db2.gz RZCSVGHWJWIGAD-MRXNPFEDSA-N 2 0 336.480 0.459 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001268041765 839185388 /nfs/dbraw/zinc/18/53/88/839185388.db2.gz DFUHUMDHJCPRMQ-HUUCEWRRSA-N 2 0 336.480 0.647 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261934257 436897822 /nfs/dbraw/zinc/89/78/22/436897822.db2.gz CCOUAROKFGMFEF-HOTGVXAUSA-N 2 0 346.479 0.356 20 30 ECEDRP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)C[NH+]1CCCC1 ZINC000264113617 437016445 /nfs/dbraw/zinc/01/64/45/437016445.db2.gz RVRRIYMQKQGLGU-HNNXBMFYSA-N 2 0 331.468 0.645 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccc(F)cc1 ZINC000264106127 437017044 /nfs/dbraw/zinc/01/70/44/437017044.db2.gz PMBMAAHZNWYUFK-LSDHHAIUSA-N 2 0 338.427 0.954 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000296137565 436985302 /nfs/dbraw/zinc/98/53/02/436985302.db2.gz DBXIREMXHVNZFS-UHFFFAOYSA-N 2 0 345.447 0.673 20 30 ECEDRP CN(CCC#N)C(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182565768 437356077 /nfs/dbraw/zinc/35/60/77/437356077.db2.gz WWIDHPBFABNANC-JWTNVVGKSA-N 2 0 347.507 0.991 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000343759717 437648521 /nfs/dbraw/zinc/64/85/21/437648521.db2.gz DHUVGFQLABSFGK-ZBFHGGJFSA-N 2 0 334.464 0.306 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000343906649 437691661 /nfs/dbraw/zinc/69/16/61/437691661.db2.gz HPOGRQDRPRAEBI-PBHICJAKSA-N 2 0 348.491 0.742 20 30 ECEDRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424140800 437894138 /nfs/dbraw/zinc/89/41/38/437894138.db2.gz BYTCOPHORXIDKI-INIZCTEOSA-N 2 0 345.447 0.615 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000373953633 438177389 /nfs/dbraw/zinc/17/73/89/438177389.db2.gz IUOSNFLXTQSKJW-IBGZPJMESA-N 2 0 346.519 0.960 20 30 ECEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000451678509 438707991 /nfs/dbraw/zinc/70/79/91/438707991.db2.gz ILLMHDCNEQUUOJ-ZACQAIPSSA-N 2 0 339.480 0.783 20 30 ECEDRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]([NH3+])CCCC#N)ccn2)CC1 ZINC000567780523 439175533 /nfs/dbraw/zinc/17/55/33/439175533.db2.gz WIDRVPFKGWRZHF-HNNXBMFYSA-N 2 0 330.436 0.471 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)CC1 ZINC000491221035 439352920 /nfs/dbraw/zinc/35/29/20/439352920.db2.gz SIUALKBCUYHJRU-KRWDZBQOSA-N 2 0 346.475 0.143 20 30 ECEDRP C=C(CNC(=O)C[C@@H]1CC[NH+](C)C1)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636242068 439838331 /nfs/dbraw/zinc/83/83/31/439838331.db2.gz UFNUINJHDQSKNU-HOTGVXAUSA-N 2 0 336.480 0.459 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656310687 440761414 /nfs/dbraw/zinc/76/14/14/440761414.db2.gz CWPLGJJMZARFRE-IRXDYDNUSA-N 2 0 348.491 0.886 20 30 ECEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335161 441017725 /nfs/dbraw/zinc/01/77/25/441017725.db2.gz GJPMKQHMEWRQMF-GJZGRUSLSA-N 2 0 346.479 0.689 20 30 ECEDRP C[NH+]=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC1CC1 ZINC000849053218 589318935 /nfs/dbraw/zinc/31/89/35/589318935.db2.gz NECMXBLDKLRXJW-UHFFFAOYSA-N 2 0 331.468 0.706 20 30 ECEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000852874613 589521017 /nfs/dbraw/zinc/52/10/17/589521017.db2.gz SKAIJCCZQVVZDU-DLBZAZTESA-N 2 0 346.475 0.096 20 30 ECEDRP C=CCCn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC000870017084 589989524 /nfs/dbraw/zinc/98/95/24/589989524.db2.gz ICFFMTPCSVFVDX-HUUCEWRRSA-N 2 0 334.468 0.666 20 30 ECEDRP COc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1C#N ZINC000872255350 590108560 /nfs/dbraw/zinc/10/85/60/590108560.db2.gz CKFAEPGESLZTCS-UXLLHSPISA-N 2 0 342.399 0.934 20 30 ECEDRP C#CCN1CCN(C(=O)CN2CC[C@](CO)(C(F)(F)F)C2)CC1 ZINC000886799316 590884437 /nfs/dbraw/zinc/88/44/37/590884437.db2.gz PNVYGVNPIFFDDK-AWEZNQCLSA-N 2 0 333.354 0.011 20 30 ECEDRP C#CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC[C@@H]2C1 ZINC000946642233 611383010 /nfs/dbraw/zinc/38/30/10/611383010.db2.gz AEOSGVADRHTTFO-ZJPYXAASSA-N 2 0 333.476 0.899 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)[C@H](C)C2)CC1 ZINC000948071574 611408511 /nfs/dbraw/zinc/40/85/11/611408511.db2.gz ZANAMXTUCOPMAH-ZBFHGGJFSA-N 2 0 334.464 0.047 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180946 611523990 /nfs/dbraw/zinc/52/39/90/611523990.db2.gz SONUGVFVSXWKNV-SOAMZJECSA-N 2 0 347.503 0.928 20 30 ECEDRP CCCCC(N)=NOCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000178148943 608949278 /nfs/dbraw/zinc/94/92/78/608949278.db2.gz VNFKSGDLOMHDOM-CQSZACIVSA-N 2 0 328.457 0.938 20 30 ECEDRP C#CCN(C(=O)NC1CCN(CC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000914017849 609844506 /nfs/dbraw/zinc/84/45/06/609844506.db2.gz OFIOWGDVRDROQT-UHFFFAOYSA-N 2 0 349.523 0.751 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nccn3C)C2)CC1 ZINC000939811793 610137389 /nfs/dbraw/zinc/13/73/89/610137389.db2.gz UOZQFTSGAXABLH-WBVHZDCISA-N 2 0 343.475 0.702 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CCC=C)C3)CC2)CC1 ZINC000941677647 610450524 /nfs/dbraw/zinc/45/05/24/610450524.db2.gz RRNCRJDJDHXLGL-UHFFFAOYSA-N 2 0 344.503 0.736 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000940962923 610468107 /nfs/dbraw/zinc/46/81/07/610468107.db2.gz YUGBGSCCNMFOEC-DLBZAZTESA-N 2 0 346.475 0.000 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000950076440 611858569 /nfs/dbraw/zinc/85/85/69/611858569.db2.gz DNQSLCNIHYNLHM-DLBZAZTESA-N 2 0 346.475 0.000 20 30 ECEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H](C)C[NH+]1CCOCC1)CCO2 ZINC000949244493 611917938 /nfs/dbraw/zinc/91/79/38/611917938.db2.gz KIKCCASJXWQUCE-QGZVFWFLSA-N 2 0 349.475 0.281 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)C[NH+]3CCCC3)C2)CC1 ZINC000954323530 612854098 /nfs/dbraw/zinc/85/40/98/612854098.db2.gz CQRJBBLWRNPEFJ-UHFFFAOYSA-N 2 0 346.475 0.097 20 30 ECEDRP C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532693 733050582 /nfs/dbraw/zinc/05/05/82/733050582.db2.gz AOVCOKKDZXOJMS-UHFFFAOYSA-N 2 0 347.887 0.602 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167235853 733081009 /nfs/dbraw/zinc/08/10/09/733081009.db2.gz AWYKDXGDFCKHCZ-LSDHHAIUSA-N 2 0 336.480 0.362 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+]([C@H](C)C(N)=O)C3)C2)CC1 ZINC001041845174 782326266 /nfs/dbraw/zinc/32/62/66/782326266.db2.gz UQLRHQZBWVJANW-DNVCBOLYSA-N 2 0 346.475 0.130 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3nccnc3C)C2)CC1 ZINC000970792813 733943397 /nfs/dbraw/zinc/94/33/97/733943397.db2.gz XRFVLYYVRHTKPK-QGZVFWFLSA-N 2 0 341.459 0.821 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC000970919736 734089481 /nfs/dbraw/zinc/08/94/81/734089481.db2.gz FVEKRMJVKGBNEH-CVEARBPZSA-N 2 0 333.476 0.805 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)CC[N@@H+](C)CC)CC1 ZINC001167639532 736206729 /nfs/dbraw/zinc/20/67/29/736206729.db2.gz AUIHFAQQHUYYHA-HNNXBMFYSA-N 2 0 338.496 0.895 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001024268483 737864594 /nfs/dbraw/zinc/86/45/94/737864594.db2.gz VUXWSXKEOVPKJR-IRXDYDNUSA-N 2 0 348.491 0.697 20 30 ECEDRP CC#CCNCc1cn(C2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1 ZINC001105242785 741543365 /nfs/dbraw/zinc/54/33/65/741543365.db2.gz HRBLTCSLVAZCMS-QGZVFWFLSA-N 2 0 342.447 0.116 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCCC[N@H+]3C)C2)nn1 ZINC001105268363 741610232 /nfs/dbraw/zinc/61/02/32/741610232.db2.gz LCOLNSUHQABJCO-MRXNPFEDSA-N 2 0 330.436 0.259 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC001026886469 742041927 /nfs/dbraw/zinc/04/19/27/742041927.db2.gz YINYDAAAFFAKOB-HOTGVXAUSA-N 2 0 348.491 0.696 20 30 ECEDRP C[C@H]1CC[N@H+](CC(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)C1 ZINC000996787997 742865671 /nfs/dbraw/zinc/86/56/71/742865671.db2.gz HQMMTIZVCOKZHB-AOCRQIFASA-N 2 0 347.507 0.897 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC000997183257 743325209 /nfs/dbraw/zinc/32/52/09/743325209.db2.gz JCSFKSOQBIKZTM-NVXWUHKLSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CCCn3ccnc3)C2)nn1 ZINC001105380660 743383111 /nfs/dbraw/zinc/38/31/11/743383111.db2.gz DKBWSLBEMKCCDR-UHFFFAOYSA-N 2 0 341.419 0.451 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)CC1 ZINC000999871092 744973424 /nfs/dbraw/zinc/97/34/24/744973424.db2.gz UJVLYHYKIPRBGK-UHFFFAOYSA-N 2 0 343.475 0.844 20 30 ECEDRP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@H+]3CCC)nn2)C1 ZINC000999987397 745141666 /nfs/dbraw/zinc/14/16/66/745141666.db2.gz NUVBUVNUKULXTA-DLBZAZTESA-N 2 0 344.463 0.649 20 30 ECEDRP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999998115 745158360 /nfs/dbraw/zinc/15/83/60/745158360.db2.gz QWPHVVHFZNCWGI-CVEARBPZSA-N 2 0 332.452 0.811 20 30 ECEDRP C[NH+]=C(NCCN1CCOC(C)(C)C1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261661142 751982275 /nfs/dbraw/zinc/98/22/75/751982275.db2.gz ARWVRHFVPCATCH-GOEBONIOSA-N 2 0 337.512 0.745 20 30 ECEDRP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000045849 745226130 /nfs/dbraw/zinc/22/61/30/745226130.db2.gz RDRQQJDNNBBILK-ZBFHGGJFSA-N 2 0 332.452 0.669 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccn(CC)n2)C1 ZINC000983902908 745481193 /nfs/dbraw/zinc/48/11/93/745481193.db2.gz ZMEVAMRKEXHBPE-SZMVWBNQSA-N 2 0 343.475 0.985 20 30 ECEDRP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001098705794 746315019 /nfs/dbraw/zinc/31/50/19/746315019.db2.gz JRIYKUTVTODCPO-INIZCTEOSA-N 2 0 344.463 0.506 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361139 752084292 /nfs/dbraw/zinc/08/42/92/752084292.db2.gz RRRISIAMJUKVCO-AWEZNQCLSA-N 2 0 330.436 0.116 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1=O ZINC000985790434 749107310 /nfs/dbraw/zinc/10/73/10/749107310.db2.gz HHLIOXWBZNYENP-NVXWUHKLSA-N 2 0 348.491 0.648 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC000980254148 749260330 /nfs/dbraw/zinc/26/03/30/749260330.db2.gz MRUSXDCFXRDYGD-YESZJQIVSA-N 2 0 346.475 0.034 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)[C@@H](CC)C(N)=O)C2)CC1 ZINC000980477663 749630060 /nfs/dbraw/zinc/63/00/60/749630060.db2.gz IROBMFWYXHUVTN-CVEARBPZSA-N 2 0 334.464 0.128 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnnn3C)[C@H]2C)CC1 ZINC000987575018 750976713 /nfs/dbraw/zinc/97/67/13/750976713.db2.gz HNWJIWAKHFAOKG-RHSMWYFYSA-N 2 0 344.463 0.239 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3nnc(C)[nH]3)C2)CC1 ZINC001021090265 752529975 /nfs/dbraw/zinc/52/99/75/752529975.db2.gz QXXQXWFTUQHQTN-SHTZXODSSA-N 2 0 330.436 0.195 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCN(CC)C2=O)C1 ZINC001030019188 752629301 /nfs/dbraw/zinc/62/93/01/752629301.db2.gz HPCFRGFUOHPJFL-BBWFWOEESA-N 2 0 346.475 0.285 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC000938096624 753258242 /nfs/dbraw/zinc/25/82/42/753258242.db2.gz KKOUYXQRQHOMEA-IRXDYDNUSA-N 2 0 348.491 0.389 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CCC[NH+]3CCCC3)C2)nn1 ZINC001105376935 754065462 /nfs/dbraw/zinc/06/54/62/754065462.db2.gz LYTXGFVTHBSSRM-UHFFFAOYSA-N 2 0 344.463 0.650 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](C[C@@H]4CCOC4)C[C@H]32)CC1 ZINC001076605898 756725802 /nfs/dbraw/zinc/72/58/02/756725802.db2.gz YPPZXBBOMIYPOS-YTQUADARSA-N 2 0 345.487 0.901 20 30 ECEDRP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)nn2)C1 ZINC001107210853 757697212 /nfs/dbraw/zinc/69/72/12/757697212.db2.gz GJXODYFSEMGRSW-RHSMWYFYSA-N 2 0 346.479 0.915 20 30 ECEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128732 758268036 /nfs/dbraw/zinc/26/80/36/758268036.db2.gz CCSAEYXCERICQT-IXDOHACOSA-N 2 0 337.464 0.367 20 30 ECEDRP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1F ZINC001127779294 758645443 /nfs/dbraw/zinc/64/54/43/758645443.db2.gz KXDBRWLHNXPNOS-RDJZCZTQSA-N 2 0 346.406 0.766 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001022535032 758854563 /nfs/dbraw/zinc/85/45/63/758854563.db2.gz DPGBRFSAANEQID-OWCLPIDISA-N 2 0 348.491 0.885 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3C[C@@H](C)O)CC1 ZINC001049918804 759403004 /nfs/dbraw/zinc/40/30/04/759403004.db2.gz MOTHSKUHJIXKCI-KBAYOESNSA-N 2 0 333.476 0.778 20 30 ECEDRP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1C[NH+]3CCC[C@H]3CO1)C2 ZINC001048526097 760663550 /nfs/dbraw/zinc/66/35/50/760663550.db2.gz OHDGUKIFEQASTH-FLXSYLCISA-N 2 0 331.460 0.842 20 30 ECEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1C ZINC001106247002 768010740 /nfs/dbraw/zinc/01/07/40/768010740.db2.gz UFEXUCHYFAWZHF-NUJGCVRESA-N 2 0 333.476 0.947 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCn3cncn3)C2)CC1 ZINC001046850399 763229761 /nfs/dbraw/zinc/22/97/61/763229761.db2.gz VGYJFTYPGUDHCR-SFHVURJKSA-N 2 0 344.463 0.204 20 30 ECEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)N(CC)CCC#N)CC[N@@H+]1C ZINC001127690764 763548979 /nfs/dbraw/zinc/54/89/79/763548979.db2.gz SGXAQKIFPIEJCU-LSDHHAIUSA-N 2 0 337.468 0.185 20 30 ECEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001052101556 763863854 /nfs/dbraw/zinc/86/38/54/763863854.db2.gz QSHFLPGLRSEDAS-LJQANCHMSA-N 2 0 346.519 0.960 20 30 ECEDRP CC#CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@@H]12 ZINC000991937678 764800256 /nfs/dbraw/zinc/80/02/56/764800256.db2.gz WPDVFZHWYMHMDM-IFGVMOBSSA-N 2 0 343.471 0.986 20 30 ECEDRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CCN(CC#N)CC2)C1 ZINC001052994213 765473151 /nfs/dbraw/zinc/47/31/51/765473151.db2.gz JYAMXTIXKCAFHN-NXHRZFHOSA-N 2 0 345.491 0.601 20 30 ECEDRP 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ZINC001106594035 768477133 /nfs/dbraw/zinc/47/71/33/768477133.db2.gz NEYDTIJQSRTQAL-OWCLPIDISA-N 2 0 348.491 0.150 20 30 ECEDRP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)CCC[NH+](C)C)CC1 ZINC001055538373 769049492 /nfs/dbraw/zinc/04/94/92/769049492.db2.gz BVUWBPYAPAEOTO-UHFFFAOYSA-N 2 0 338.496 0.991 20 30 ECEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001055632451 769306541 /nfs/dbraw/zinc/30/65/41/769306541.db2.gz VKIZDRZYJQYIFA-GOEBONIOSA-N 2 0 349.479 0.327 20 30 ECEDRP CC[NH+](CC)CC(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC001055632433 769307782 /nfs/dbraw/zinc/30/77/82/769307782.db2.gz VBOXTVZUAUIYCA-AWEZNQCLSA-N 2 0 337.468 0.185 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106885140 770535329 /nfs/dbraw/zinc/53/53/29/770535329.db2.gz UCZDZVHYAOBSFN-BZUAXINKSA-N 2 0 348.491 0.457 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)CC[NH+]3CCCCC3)C2)C1=O ZINC001019815781 771830904 /nfs/dbraw/zinc/83/09/04/771830904.db2.gz MVUSSJXLHFPBKO-IRXDYDNUSA-N 2 0 348.491 0.840 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2cnnn2C)CC1 ZINC001045321407 775408689 /nfs/dbraw/zinc/40/86/89/775408689.db2.gz OTPKFAHKUFKTSN-INIZCTEOSA-N 2 0 344.463 0.241 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001045321599 775410809 /nfs/dbraw/zinc/41/08/09/775410809.db2.gz XPKXPAFRRNXTON-IRXDYDNUSA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001045321610 775411549 /nfs/dbraw/zinc/41/15/49/775411549.db2.gz YJEZSMBOYDNIMO-WMZOPIPTSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CCC[NH+]1CCC(C)(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001045506554 775713543 /nfs/dbraw/zinc/71/35/43/775713543.db2.gz RKEQKHUSTHQPTQ-KOHRHEQBSA-N 2 0 331.460 0.844 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001080382534 777774301 /nfs/dbraw/zinc/77/43/01/777774301.db2.gz PWPYRRVXLQASCH-OIISXLGYSA-N 2 0 348.491 0.552 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1n1ccnn1 ZINC001070194825 783633102 /nfs/dbraw/zinc/63/31/02/783633102.db2.gz PFTMZYPORLYCNF-CVEARBPZSA-N 2 0 344.463 0.517 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070260285 783759197 /nfs/dbraw/zinc/75/91/97/783759197.db2.gz BDQFCYNAGQOWEF-NXOAAHMSSA-N 2 0 346.479 0.926 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@@H]1n1ccnn1 ZINC001070275329 783780242 /nfs/dbraw/zinc/78/02/42/783780242.db2.gz GTNDIUQTMIPXEB-CABCVRRESA-N 2 0 332.452 0.538 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070533828 784238467 /nfs/dbraw/zinc/23/84/67/784238467.db2.gz SCKXFMPSFPGUOZ-YQQAZPJKSA-N 2 0 331.464 0.974 20 30 ECEDRP C#CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001070599318 784413510 /nfs/dbraw/zinc/41/35/10/784413510.db2.gz TZVIEGTZFGZIBL-PMPSAXMXSA-N 2 0 345.447 0.496 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C)C1=O ZINC001074710637 787657507 /nfs/dbraw/zinc/65/75/07/787657507.db2.gz BEBHGUQELSPDBI-CAOSSQGBSA-N 2 0 336.480 0.693 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425530 789821087 /nfs/dbraw/zinc/82/10/87/789821087.db2.gz AANLQTBSYKUJPI-HOTGVXAUSA-N 2 0 346.475 0.259 20 30 ECEDRP C=CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266373296 835786033 /nfs/dbraw/zinc/78/60/33/835786033.db2.gz ACSLWUPBMKRTJA-MRXNPFEDSA-N 2 0 348.491 0.744 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266787361 836303009 /nfs/dbraw/zinc/30/30/09/836303009.db2.gz WPSVSZSYJGCJBE-WBVHZDCISA-N 2 0 348.491 0.459 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001266790476 836308214 /nfs/dbraw/zinc/30/82/14/836308214.db2.gz HZJQBXCZPWQJSR-IAGOWNOFSA-N 2 0 348.491 0.438 20 30 ECEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001267001587 836593192 /nfs/dbraw/zinc/59/31/92/836593192.db2.gz SRQLXYQBUUETBQ-JKSUJKDBSA-N 2 0 334.464 0.048 20 30 ECEDRP COCC#CC[N@H+](C)CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001267202631 836980136 /nfs/dbraw/zinc/98/01/36/836980136.db2.gz DVFFUXHHNVJRTP-UHFFFAOYSA-N 2 0 325.453 0.043 20 30 ECEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001267619152 838051023 /nfs/dbraw/zinc/05/10/23/838051023.db2.gz ZDJGBBAGLBROQJ-UHFFFAOYSA-N 2 0 334.508 0.962 20 30 ECEDRP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702714 838300584 /nfs/dbraw/zinc/30/05/84/838300584.db2.gz IJJQZDSDMZRZII-JKSUJKDBSA-N 2 0 346.475 0.000 20 30 ECEDRP CC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CC(=O)NCC#N)C2)CC1 ZINC001267973921 838907171 /nfs/dbraw/zinc/90/71/71/838907171.db2.gz FNVHUKCTHMSNRA-UHFFFAOYSA-N 2 0 349.479 0.282 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268069908 839258352 /nfs/dbraw/zinc/25/83/52/839258352.db2.gz BIDVXFJVCSEMNW-HNNXBMFYSA-N 2 0 336.480 0.601 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001268070012 839263706 /nfs/dbraw/zinc/26/37/06/839263706.db2.gz BFKUIDMSVRLNMF-CYBMUJFWSA-N 2 0 343.431 0.995 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000343743959 254688872 /nfs/dbraw/zinc/68/88/72/254688872.db2.gz WTMIBBXNZMWAMH-QGZVFWFLSA-N 2 0 348.491 0.840 20 30 ECEDRP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000129436177 436826459 /nfs/dbraw/zinc/82/64/59/436826459.db2.gz LJLBIFWNZZFJAK-SJORKVTESA-N 2 0 329.448 0.543 20 30 ECEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262785335 436942403 /nfs/dbraw/zinc/94/24/03/436942403.db2.gz MJDKJGFEBHMWHE-CQSZACIVSA-N 2 0 331.468 0.508 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CCOc2ccccc21 ZINC000262820688 436943755 /nfs/dbraw/zinc/94/37/55/436943755.db2.gz YCFAOMWBZLWBLS-ZBFHGGJFSA-N 2 0 329.448 0.675 20 30 ECEDRP CC[C@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCCC1 ZINC000264136185 437016672 /nfs/dbraw/zinc/01/66/72/437016672.db2.gz ZSAOVXBCLYIGNF-OAHLLOKOSA-N 2 0 331.468 0.788 20 30 ECEDRP CC(C)C[N@@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000268093422 437367205 /nfs/dbraw/zinc/36/72/05/437367205.db2.gz UQCZWFSGXLVOME-INIZCTEOSA-N 2 0 345.495 0.891 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000340478666 437658489 /nfs/dbraw/zinc/65/84/89/437658489.db2.gz CSUOXULUDDMUQC-SJORKVTESA-N 2 0 348.491 0.886 20 30 ECEDRP [NH2+]=C(NO)[C@@H]1CCCCN1CC#CCN1CCCC[C@H]1C(=[NH2+])NO ZINC000367462198 438212485 /nfs/dbraw/zinc/21/24/85/438212485.db2.gz DRHZMGZAWHVION-KBPBESRZSA-N 2 0 336.440 0.611 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000419727111 438369718 /nfs/dbraw/zinc/36/97/18/438369718.db2.gz KVWMYFHOTXLDTO-LSDHHAIUSA-N 2 0 336.480 0.586 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)[C@H](C)CC)CC1 ZINC000359261596 438395337 /nfs/dbraw/zinc/39/53/37/438395337.db2.gz FSCPKIFSDSCWAE-OAHLLOKOSA-N 2 0 338.496 0.990 20 30 ECEDRP C[NH+]1CCC(C[NH2+]Cc2cccc(C#N)n2)(N2CCOCC2)CC1 ZINC000602699378 439123558 /nfs/dbraw/zinc/12/35/58/439123558.db2.gz YERZRQODXAWRKB-UHFFFAOYSA-N 2 0 329.448 0.839 20 30 ECEDRP C#CCNC(=O)C1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000491105466 439331587 /nfs/dbraw/zinc/33/15/87/439331587.db2.gz VZRJQHICCLCEGD-UHFFFAOYSA-N 2 0 346.475 0.191 20 30 ECEDRP CCN(CC[NH3+])C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000600797143 439702284 /nfs/dbraw/zinc/70/22/84/439702284.db2.gz MTQPZFHBOHUNAB-UHFFFAOYSA-N 2 0 345.447 0.256 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627386448 440169873 /nfs/dbraw/zinc/16/98/73/440169873.db2.gz OSPRIXIIRHRDQN-OAHLLOKOSA-N 2 0 334.464 0.544 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656310688 440759805 /nfs/dbraw/zinc/75/98/05/440759805.db2.gz CWPLGJJMZARFRE-SJORKVTESA-N 2 0 348.491 0.886 20 30 ECEDRP C[NH+]1CCCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635788128 440981856 /nfs/dbraw/zinc/98/18/56/440981856.db2.gz XYGNEIKMIUWCLG-HOTGVXAUSA-N 2 0 334.464 0.191 20 30 ECEDRP C=C(CC[NH+](C)C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000900398202 586629648 /nfs/dbraw/zinc/62/96/48/586629648.db2.gz HVSSNIXHDWPERL-UHFFFAOYSA-N 2 0 331.464 0.958 20 30 ECEDRP C=C(CC[NH+](C)C)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000900831015 586668263 /nfs/dbraw/zinc/66/82/63/586668263.db2.gz OYGDKSLYCOQMJX-UHFFFAOYSA-N 2 0 336.440 0.007 20 30 ECEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794098 586813828 /nfs/dbraw/zinc/81/38/28/586813828.db2.gz NLFNLEUUIHWPMI-UHFFFAOYSA-N 2 0 330.432 0.991 20 30 ECEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852864704 589519412 /nfs/dbraw/zinc/51/94/12/589519412.db2.gz FHFLHOSHSUNJDO-MRXNPFEDSA-N 2 0 334.464 0.048 20 30 ECEDRP O=C(C#CC1CC[NH2+]CC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000852899877 589523561 /nfs/dbraw/zinc/52/35/61/589523561.db2.gz FNRYHKNKYQQQCP-UHFFFAOYSA-N 2 0 333.476 0.997 20 30 ECEDRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876960528 590429578 /nfs/dbraw/zinc/42/95/78/590429578.db2.gz FJGMLAHKENBQFO-SFHVURJKSA-N 2 0 343.475 0.745 20 30 ECEDRP CCCCC(N)=NOCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000178148960 608949449 /nfs/dbraw/zinc/94/94/49/608949449.db2.gz VNFKSGDLOMHDOM-AWEZNQCLSA-N 2 0 328.457 0.938 20 30 ECEDRP C#CCN(C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000917228338 609965091 /nfs/dbraw/zinc/96/50/91/609965091.db2.gz SSJGPPYSKSPRGY-INIZCTEOSA-N 2 0 335.496 0.361 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940754385 610357403 /nfs/dbraw/zinc/35/74/03/610357403.db2.gz XKNZQHXQIVGTDY-MRXNPFEDSA-N 2 0 331.464 0.908 20 30 ECEDRP C=CCN1CC(N2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)CC2)C1 ZINC000941532510 610364095 /nfs/dbraw/zinc/36/40/95/610364095.db2.gz ZOZKKFZWQLOIST-KRWDZBQOSA-N 2 0 336.480 0.110 20 30 ECEDRP CC#CCN1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408359 610722462 /nfs/dbraw/zinc/72/24/62/610722462.db2.gz CEAQNXUZDCLATR-QZTJIDSGSA-N 2 0 344.503 0.713 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000954835760 612729216 /nfs/dbraw/zinc/72/92/16/612729216.db2.gz VZSFFQSSOAFOOZ-WBVHZDCISA-N 2 0 346.475 0.095 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001167232521 733077098 /nfs/dbraw/zinc/07/70/98/733077098.db2.gz FVCFTGPQOLOOLR-JKSUJKDBSA-N 2 0 348.491 0.342 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001210811746 734030077 /nfs/dbraw/zinc/03/00/77/734030077.db2.gz QKENGLGHMLKVRU-HOTGVXAUSA-N 2 0 336.480 0.696 20 30 ECEDRP CC[C@H](C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001104346502 734481383 /nfs/dbraw/zinc/48/13/83/734481383.db2.gz DUVCTJDLQPGJFY-RBSFLKMASA-N 2 0 337.468 0.041 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC[C@H]3CCCO3)C[C@H]2O)CC1 ZINC001078227449 782522922 /nfs/dbraw/zinc/52/29/22/782522922.db2.gz ZVRWHGXEVCLJTP-KZNAEPCWSA-N 2 0 349.475 0.062 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCN(CC)C3=O)C2)CC1 ZINC001023128213 736523511 /nfs/dbraw/zinc/52/35/11/736523511.db2.gz USBYFGNDLGYRGZ-BBWFWOEESA-N 2 0 346.475 0.189 20 30 ECEDRP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262342324 736554750 /nfs/dbraw/zinc/55/47/50/736554750.db2.gz XHRUHSTWFVAMFG-MRXNPFEDSA-N 2 0 333.480 0.909 20 30 ECEDRP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000972734978 737569901 /nfs/dbraw/zinc/56/99/01/737569901.db2.gz IOOSMIOZESUEAX-CVEARBPZSA-N 2 0 346.475 0.402 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CCC[N@H+](CCO)[C@H]3C2(C)C)CC1 ZINC001087318028 738289502 /nfs/dbraw/zinc/28/95/02/738289502.db2.gz PYAYNFGOYHFUJC-KZNAEPCWSA-N 2 0 347.503 0.929 20 30 ECEDRP 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C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)nn1 ZINC001105326935 741805325 /nfs/dbraw/zinc/80/53/25/741805325.db2.gz MKMPLHWRVZDWLZ-KRWDZBQOSA-N 2 0 346.479 0.895 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1=O ZINC000996956099 743071174 /nfs/dbraw/zinc/07/11/74/743071174.db2.gz SMRBZRMPMOOAHZ-QGZVFWFLSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)CC1 ZINC001029000409 743146402 /nfs/dbraw/zinc/14/64/02/743146402.db2.gz ATFPVENUTXOWOJ-INIZCTEOSA-N 2 0 343.475 0.703 20 30 ECEDRP CC[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261978904 743262184 /nfs/dbraw/zinc/26/21/84/743262184.db2.gz OKBRZBZQAFGXNN-ZDUSSCGKSA-N 2 0 330.498 0.413 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cnnn3C)CC2)CC1 ZINC000997362599 743534657 /nfs/dbraw/zinc/53/46/57/743534657.db2.gz AOOMSJGFGOAZIE-UHFFFAOYSA-N 2 0 344.463 0.241 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1=O ZINC000998273595 744091987 /nfs/dbraw/zinc/09/19/87/744091987.db2.gz KIGUMHCFUALQGT-QGZVFWFLSA-N 2 0 348.491 0.697 20 30 ECEDRP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999998331 745158426 /nfs/dbraw/zinc/15/84/26/745158426.db2.gz QWPHVVHFZNCWGI-JKSUJKDBSA-N 2 0 332.452 0.811 20 30 ECEDRP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000035963 745212605 /nfs/dbraw/zinc/21/26/05/745212605.db2.gz RPBZDWBJRVQURW-INIZCTEOSA-N 2 0 344.463 0.813 20 30 ECEDRP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978826451 746754689 /nfs/dbraw/zinc/75/46/89/746754689.db2.gz GKELSAORIBMYMU-OSYLJGHBSA-N 2 0 331.464 0.928 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC000985035370 747288480 /nfs/dbraw/zinc/28/84/80/747288480.db2.gz UQMQYPZJCCDJHT-LUKYLMHMSA-N 2 0 348.491 0.600 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC000985123785 747410683 /nfs/dbraw/zinc/41/06/83/747410683.db2.gz QTWPARNESKYUKL-JYJNAYRXSA-N 2 0 334.464 0.354 20 30 ECEDRP C#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136000 747469237 /nfs/dbraw/zinc/46/92/37/747469237.db2.gz PWTBUQJXZXXJNL-WBVHZDCISA-N 2 0 329.448 0.472 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCN(C)C3=O)C2)CC1 ZINC000985155383 747480589 /nfs/dbraw/zinc/48/05/89/747480589.db2.gz YWAOEYAECKPYKM-XIRDDKMYSA-N 2 0 346.475 0.047 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC000985155381 747481015 /nfs/dbraw/zinc/48/10/15/747481015.db2.gz YWAOEYAECKPYKM-DJIMGWMZSA-N 2 0 346.475 0.047 20 30 ECEDRP C=CCN1CC[C@H]([N@H+](C)[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000980404935 749504091 /nfs/dbraw/zinc/50/40/91/749504091.db2.gz FGVBWWCVVWCOIO-HOTGVXAUSA-N 2 0 334.464 0.402 20 30 ECEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CC[NH+](C(C)C)CC1 ZINC000262814182 749857615 /nfs/dbraw/zinc/85/76/15/749857615.db2.gz WEOUFJMWGDEZHB-KRWDZBQOSA-N 3 0 336.528 0.414 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168162677 750402892 /nfs/dbraw/zinc/40/28/92/750402892.db2.gz QNEWRIMCGCBVTJ-HNNXBMFYSA-N 2 0 334.464 0.096 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC001021089647 752528667 /nfs/dbraw/zinc/52/86/67/752528667.db2.gz GTDOSSPZFNRLCN-KBAYOESNSA-N 2 0 333.476 0.995 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000982927161 754216466 /nfs/dbraw/zinc/21/64/66/754216466.db2.gz RYIKSFBDHAKFSP-BBWFWOEESA-N 2 0 348.491 0.389 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+][C@@H](C)C(=O)NC)CC2)CC1 ZINC001168307919 754270243 /nfs/dbraw/zinc/27/02/43/754270243.db2.gz MNKORBCCGJMJLA-HNNXBMFYSA-N 2 0 348.491 0.342 20 30 ECEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CCC[NH+](C)C)[C@H]2C(C)C)C[C@H]1O ZINC001105653442 755194127 /nfs/dbraw/zinc/19/41/27/755194127.db2.gz VATYAWXRJLTFMQ-FPAYPSAMSA-N 2 0 335.492 0.928 20 30 ECEDRP CC[NH+]=C(NCCN1CC[NH+](CC)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261939214 755480194 /nfs/dbraw/zinc/48/01/94/755480194.db2.gz DEYLKHFUXAAFKC-GOSISDBHSA-N 2 0 337.512 0.702 20 30 ECEDRP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(F)c1 ZINC001127779263 758644579 /nfs/dbraw/zinc/64/45/79/758644579.db2.gz KIJQQJDJOKYFJS-RDJZCZTQSA-N 2 0 346.406 0.766 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC001022535035 758854269 /nfs/dbraw/zinc/85/42/69/758854269.db2.gz DPGBRFSAANEQID-XHSDSOJGSA-N 2 0 348.491 0.885 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001022716854 759031522 /nfs/dbraw/zinc/03/15/22/759031522.db2.gz KKSQELUUIJSIER-XHSDSOJGSA-N 2 0 348.491 0.742 20 30 ECEDRP C=CCN1CC[C@@H](N2CC(CNC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1=O ZINC001032205704 759621565 /nfs/dbraw/zinc/62/15/65/759621565.db2.gz FXZBOLWSDYACSE-DLBZAZTESA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)CC1 ZINC001032207264 759641514 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GSDVWGWWIKCWDA-QYZOEREBSA-N 2 0 341.455 0.493 20 30 ECEDRP N#Cc1cccc(C[NH2+]CCCNC(=O)CCN2CCOCC2)c1 ZINC001168441152 766518810 /nfs/dbraw/zinc/51/88/10/766518810.db2.gz BOOAEUYYIFBSRS-UHFFFAOYSA-N 2 0 330.432 0.876 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC001046035544 766721382 /nfs/dbraw/zinc/72/13/82/766721382.db2.gz OUJJYHSCWKEPKV-KRWDZBQOSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC001046036393 766727128 /nfs/dbraw/zinc/72/71/28/766727128.db2.gz ITHJBNGZAXKAJO-ZWKOTPCHSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741453 766828797 /nfs/dbraw/zinc/82/87/97/766828797.db2.gz XABQLGOFBCYVAE-IOSXPMGOSA-N 2 0 329.444 0.454 20 30 ECEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC001046064361 766842894 /nfs/dbraw/zinc/84/28/94/766842894.db2.gz LPVQJCQBVGNXMO-SFHVURJKSA-N 2 0 346.519 0.960 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@@H+](C(C)C)C3)CC2)CC1 ZINC001046086183 766928215 /nfs/dbraw/zinc/92/82/15/766928215.db2.gz MXJXHTYKQYHHSR-IBGZPJMESA-N 2 0 346.519 0.959 20 30 ECEDRP CN1CCO[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219942 767086889 /nfs/dbraw/zinc/08/68/89/767086889.db2.gz QYGOJLKMTHRODG-PKOBYXMFSA-N 2 0 342.443 0.969 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C ZINC001106599924 768483391 /nfs/dbraw/zinc/48/33/91/768483391.db2.gz QNIVZLJLZIPIGY-OWCLPIDISA-N 2 0 336.480 0.150 20 30 ECEDRP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001055539286 769054143 /nfs/dbraw/zinc/05/41/43/769054143.db2.gz VGLODLJGWVSMJP-UHFFFAOYSA-N 2 0 336.480 0.745 20 30 ECEDRP CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001055572297 769148176 /nfs/dbraw/zinc/14/81/76/769148176.db2.gz CATQAXLECRSFQH-INIZCTEOSA-N 2 0 348.491 0.294 20 30 ECEDRP CC[C@@H](C(=O)NC1CC[NH+](CCNC(=O)C#CC2CC2)CC1)[NH+](C)C ZINC001055573896 769156306 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WBIBNMFTVRGMGQ-FUHWJXTLSA-N 2 0 333.476 0.637 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCOC)[C@H]3C2)CC1 ZINC001042369692 780159395 /nfs/dbraw/zinc/15/93/95/780159395.db2.gz ZZGZCRVYXHITNZ-AEFFLSMTSA-N 2 0 333.476 0.901 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1n1ccnn1 ZINC001070312331 783818486 /nfs/dbraw/zinc/81/84/86/783818486.db2.gz MGSPBRMULBQZFF-ZBFHGGJFSA-N 2 0 341.419 0.580 20 30 ECEDRP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001070382760 783921001 /nfs/dbraw/zinc/92/10/01/783921001.db2.gz PGZUXMLGBYJVGF-NUJGCVRESA-N 2 0 348.491 0.600 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001070493137 784187140 /nfs/dbraw/zinc/18/71/40/784187140.db2.gz LNLOYXDWLAHNJG-XYJFISCASA-N 2 0 343.475 0.832 20 30 ECEDRP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001071015414 784420894 /nfs/dbraw/zinc/42/08/94/784420894.db2.gz CQUAETBELXXDJU-UHFFFAOYSA-N 2 0 348.491 0.699 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070688014 784553575 /nfs/dbraw/zinc/55/35/75/784553575.db2.gz JOZJUFICMVWFKF-BFYDXBDKSA-N 2 0 331.464 0.524 20 30 ECEDRP C=CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073740014 787090629 /nfs/dbraw/zinc/09/06/29/787090629.db2.gz AVSMTYGWBZITPJ-HOTGVXAUSA-N 2 0 325.453 0.489 20 30 ECEDRP C=CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001073740010 787091167 /nfs/dbraw/zinc/09/11/67/787091167.db2.gz AVSMTYGWBZITPJ-CVEARBPZSA-N 2 0 325.453 0.489 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C(C)C)C1 ZINC001266517806 835930217 /nfs/dbraw/zinc/93/02/17/835930217.db2.gz NPMVTIVLMVSHMD-SJORKVTESA-N 2 0 348.491 0.389 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266610152 836044200 /nfs/dbraw/zinc/04/42/00/836044200.db2.gz KRPIIADCBUSQMG-RBSFLKMASA-N 2 0 336.480 0.788 20 30 ECEDRP 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ZINC000530233860 268211137 /nfs/dbraw/zinc/21/11/37/268211137.db2.gz KBOZKHPNPFYXFU-UHFFFAOYSA-N 2 0 342.443 0.975 20 30 ECEDRP NC(=O)C1([NH2+]CC#CC[NH2+]C2(C(N)=O)CCCCC2)CCCCC1 ZINC000351330512 295034390 /nfs/dbraw/zinc/03/43/90/295034390.db2.gz QDHSIAMGSCYBND-UHFFFAOYSA-N 2 0 334.464 0.545 20 30 ECEDRP CCN(CCC#N)C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519293 436693589 /nfs/dbraw/zinc/69/35/89/436693589.db2.gz VSBCIDUNLMCAAE-UHFFFAOYSA-N 2 0 337.468 0.138 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCc1ccc(OC)cc1 ZINC000264095072 437017437 /nfs/dbraw/zinc/01/74/37/437017437.db2.gz MJOBGQBWLZOUOF-OAHLLOKOSA-N 2 0 347.463 0.700 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CN(C(=O)OC(C)(C)C)C1 ZINC000304805835 437160816 /nfs/dbraw/zinc/16/08/16/437160816.db2.gz DAFCMINMHRRIOD-CYBMUJFWSA-N 2 0 325.457 0.994 20 30 ECEDRP C[C@H](CN1CCOCC1)NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329503069 437377040 /nfs/dbraw/zinc/37/70/40/437377040.db2.gz AMDANNOHJBZKMD-BZUAXINKSA-N 2 0 340.468 0.416 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000343735115 437641026 /nfs/dbraw/zinc/64/10/26/437641026.db2.gz FNDPNYWTOLWIAC-QGZVFWFLSA-N 2 0 348.491 0.840 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000343743438 437644903 /nfs/dbraw/zinc/64/49/03/437644903.db2.gz VGXSPMABXTXTFQ-MRXNPFEDSA-N 2 0 334.464 0.448 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000343761770 437649506 /nfs/dbraw/zinc/64/95/06/437649506.db2.gz HXWIEALLLBDJKL-UHFFFAOYSA-N 2 0 348.491 0.840 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000343762961 437650253 /nfs/dbraw/zinc/65/02/53/437650253.db2.gz JDTUXFSLIHWJFU-ZBFHGGJFSA-N 2 0 336.480 0.694 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340478165 437658364 /nfs/dbraw/zinc/65/83/64/437658364.db2.gz AENGIXGRRBTQCH-HZPDHXFCSA-N 2 0 334.464 0.496 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)C(C)C ZINC000419575998 438363528 /nfs/dbraw/zinc/36/35/28/438363528.db2.gz XDKQCTMMCSCDAX-MRXNPFEDSA-N 2 0 336.480 0.623 20 30 ECEDRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000548849388 438734149 /nfs/dbraw/zinc/73/41/49/438734149.db2.gz LXKLAPVTFYENDJ-UHFFFAOYSA-N 2 0 347.511 1.144 20 30 ECEDRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(CCC#N)CC3)C2)CC1 ZINC000601574193 438933717 /nfs/dbraw/zinc/93/37/17/438933717.db2.gz JCLHCIGWGDLUGQ-INIZCTEOSA-N 2 0 348.495 0.396 20 30 ECEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCN(CCC#N)CC1 ZINC000602332612 439067786 /nfs/dbraw/zinc/06/77/86/439067786.db2.gz GTQIOMWIOCERDQ-INIZCTEOSA-N 2 0 338.500 0.499 20 30 ECEDRP C#CCN1CCN(C(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000490740221 439293830 /nfs/dbraw/zinc/29/38/30/439293830.db2.gz JQBNKQKZEQUBQR-UHFFFAOYSA-N 2 0 332.492 0.572 20 30 ECEDRP C#CCN1C(=O)C[C@@H]([NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)C1=O ZINC000491637049 439417221 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30 ECEDRP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000747404142 579851872 /nfs/dbraw/zinc/85/18/72/579851872.db2.gz HCNMRDQJROTNOW-OAHLLOKOSA-N 2 0 334.464 0.000 20 30 ECEDRP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905428040 586893491 /nfs/dbraw/zinc/89/34/91/586893491.db2.gz QHBRKKONAZHMOU-LJQANCHMSA-N 2 0 345.491 0.734 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CC1 ZINC000829279802 588320930 /nfs/dbraw/zinc/32/09/30/588320930.db2.gz BBPOOGLULBKMCG-UHFFFAOYSA-N 2 0 333.476 0.902 20 30 ECEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C3=NO[C@H](C[NH3+])C3)CC2)c1 ZINC000852896521 589523160 /nfs/dbraw/zinc/52/31/60/589523160.db2.gz CQNZGXPVVHOZID-INIZCTEOSA-N 2 0 341.415 0.742 20 30 ECEDRP Cc1cccc(C#N)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000872446257 590117470 /nfs/dbraw/zinc/11/74/70/590117470.db2.gz BBMDNEZEYQXOAN-UHFFFAOYSA-N 2 0 338.477 0.981 20 30 ECEDRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C#CC2CC[NH2+]CC2)cc1 ZINC000877008995 590433410 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ECEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000491786531 439452015 /nfs/dbraw/zinc/45/20/15/439452015.db2.gz PBQGCTIJWWFJQA-KRWDZBQOSA-N 2 0 337.512 0.513 20 30 ECEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[NH2+]CCO3)CC2)c1 ZINC000593919140 439495173 /nfs/dbraw/zinc/49/51/73/439495173.db2.gz PSZNVJBMVLPYCV-KRWDZBQOSA-N 2 0 328.416 0.627 20 30 ECEDRP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000584345815 439579789 /nfs/dbraw/zinc/57/97/89/439579789.db2.gz CTCNFIKIHDEZRM-KRWDZBQOSA-N 2 0 346.479 0.129 20 30 ECEDRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000573840649 439669517 /nfs/dbraw/zinc/66/95/17/439669517.db2.gz VVMYZJOMQGFZGL-OAHLLOKOSA-N 2 0 330.436 0.471 20 30 ECEDRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000563149450 322301239 /nfs/dbraw/zinc/30/12/39/322301239.db2.gz JYABRHRUOGCVAY-UHFFFAOYSA-N 2 0 328.420 0.926 20 30 ECEDRP C=C(CC[NH+](C)C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000900207252 586531267 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CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261996408 743338106 /nfs/dbraw/zinc/33/81/06/743338106.db2.gz SNLBUUHTXXQUNQ-USXIJHARSA-N 3 0 334.512 0.024 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCn3cncn3)CC2)CC1 ZINC000997364912 743535861 /nfs/dbraw/zinc/53/58/61/743535861.db2.gz OSUDKOGMVYLATM-UHFFFAOYSA-N 2 0 344.463 0.204 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC000999870670 744972699 /nfs/dbraw/zinc/97/26/99/744972699.db2.gz OUELSKLIGVOCKT-JCYILVPMSA-N 2 0 346.475 0.189 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCc2cn([C@@H]3CC[N@@H+](CC)C3)nn2)CC1 ZINC001000046879 745228135 /nfs/dbraw/zinc/22/81/35/745228135.db2.gz WZEUHIIYVRVQTI-QGZVFWFLSA-N 2 0 344.463 0.506 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCn3cncn3)C2)CC1 ZINC001000993067 745957936 /nfs/dbraw/zinc/95/79/36/745957936.db2.gz PVIZDKJYELMPAQ-KRWDZBQOSA-N 2 0 344.463 0.204 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]Cc3nccn3C)C2)CC1 ZINC001000994464 745959686 /nfs/dbraw/zinc/95/96/86/745959686.db2.gz VBLJKOJSNNGLCK-KRWDZBQOSA-N 2 0 343.475 0.846 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)C1=O ZINC001027595245 746030431 /nfs/dbraw/zinc/03/04/31/746030431.db2.gz WZEWPWZYPXKRKL-CVEARBPZSA-N 2 0 345.447 0.662 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@H]3CCC[N@H+]3C)CC2)C1=O ZINC001001263250 746223143 /nfs/dbraw/zinc/22/31/43/746223143.db2.gz IVWGKJNZCWBSSD-SJORKVTESA-N 2 0 348.491 0.696 20 30 ECEDRP CN(C)C(=O)CNC(N[C@H]1CCN(C2CC2)C1)=[NH+]C1CCOCC1 ZINC000262251416 746663523 /nfs/dbraw/zinc/66/35/23/746663523.db2.gz CALQAWDCVQBNBC-AWEZNQCLSA-N 2 0 337.468 0.026 20 30 ECEDRP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978852097 746799278 /nfs/dbraw/zinc/79/92/78/746799278.db2.gz RQPBJJJQQDTQCN-OSYLJGHBSA-N 2 0 329.448 0.376 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)Cc3c[nH]cn3)C2)C1=O ZINC000984858252 747030451 /nfs/dbraw/zinc/03/04/51/747030451.db2.gz 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C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376984 754448421 /nfs/dbraw/zinc/44/84/21/754448421.db2.gz NWGBHMKSWFJCKQ-GJZGRUSLSA-N 2 0 344.463 0.647 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccn(C)n3)C[C@H]2C)CC1 ZINC000989829825 754483529 /nfs/dbraw/zinc/48/35/29/754483529.db2.gz WZAIOBNGHRLKNT-QAPCUYQASA-N 2 0 343.475 0.844 20 30 ECEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)NC1CC[NH+](C2CC2)CC1 ZINC000087497034 754543977 /nfs/dbraw/zinc/54/39/77/754543977.db2.gz PQKUZFJUGRPBFX-UHFFFAOYSA-N 3 0 333.484 0.778 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1=O ZINC000990276870 754931454 /nfs/dbraw/zinc/93/14/54/754931454.db2.gz KIALTURXORHZRV-CVEARBPZSA-N 2 0 334.464 0.448 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001009627826 755087531 /nfs/dbraw/zinc/08/75/31/755087531.db2.gz NSUIZFSQPBCNED-AEFFLSMTSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 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ECEDRP CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H](C#N)C1)[NH+](C)C ZINC000912536400 609966483 /nfs/dbraw/zinc/96/64/83/609966483.db2.gz VAOWLVHDFBIUIS-RRFJBIMHSA-N 2 0 337.468 0.230 20 30 ECEDRP C=C(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)C1 ZINC000941566324 610386512 /nfs/dbraw/zinc/38/65/12/610386512.db2.gz BNMBYFIYHUQHNJ-WMZOPIPTSA-N 2 0 334.508 0.979 20 30 ECEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908798 610428968 /nfs/dbraw/zinc/42/89/68/610428968.db2.gz PTOXZVNKDFTAPF-YJTLQXIOSA-N 2 0 331.460 0.700 20 30 ECEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058434 610636313 /nfs/dbraw/zinc/63/63/13/610636313.db2.gz XTYCLRRAZGGNIJ-JKSUJKDBSA-N 2 0 331.464 0.908 20 30 ECEDRP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923282286 611224307 /nfs/dbraw/zinc/22/43/07/611224307.db2.gz MBWXUCDZYWDAOW-QZTJIDSGSA-N 2 0 342.443 0.735 20 30 ECEDRP C#CCN(C(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000929565172 611765321 /nfs/dbraw/zinc/76/53/21/611765321.db2.gz QEIQAJLTSFNOSM-INIZCTEOSA-N 2 0 348.491 0.391 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC000954500660 612336069 /nfs/dbraw/zinc/33/60/69/612336069.db2.gz YQMBSUSPJKUDDB-KRWDZBQOSA-N 2 0 348.491 0.341 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCOC)C3)C2)CC1 ZINC001041845366 782325798 /nfs/dbraw/zinc/32/57/98/782325798.db2.gz XHKUHYWTNWRGLM-IBGZPJMESA-N 2 0 333.476 0.902 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1=O ZINC000970333864 733376447 /nfs/dbraw/zinc/37/64/47/733376447.db2.gz BHCYFKLHDXAFBH-SJORKVTESA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)Cc3c[nH]cn3)CC2)C1=O ZINC001167331542 733797849 /nfs/dbraw/zinc/79/78/49/733797849.db2.gz PMJUGAFZYFSRGV-OAHLLOKOSA-N 2 0 345.447 0.615 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC000970792290 733943092 /nfs/dbraw/zinc/94/30/92/733943092.db2.gz IHWPONZGBMYPIE-GOSISDBHSA-N 2 0 343.475 0.498 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1=O ZINC001023130953 736526628 /nfs/dbraw/zinc/52/66/28/736526628.db2.gz OUWTVPQQWXAPBD-YVSFHVDLSA-N 2 0 348.491 0.885 20 30 ECEDRP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500655 736926501 /nfs/dbraw/zinc/92/65/01/736926501.db2.gz XIYVEMXCOYAKAG-FXQQTDPRSA-N 2 0 331.460 0.701 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CN(C[C@@H](C)O)CCO3)CC1 ZINC000972686694 737378219 /nfs/dbraw/zinc/37/82/19/737378219.db2.gz BQQYLKVCLSMTDN-APWZRJJASA-N 2 0 349.475 0.016 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000973410802 739224385 /nfs/dbraw/zinc/22/43/85/739224385.db2.gz QGIBPQSFWSYQRD-QAETUUGQSA-N 2 0 346.475 0.189 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104679174 739462149 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348.491 0.696 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)C2)C1=O ZINC000984047154 745733639 /nfs/dbraw/zinc/73/36/39/745733639.db2.gz HNOMGZNYDPQPPA-VQHPVUNQSA-N 2 0 348.491 0.742 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CC1 ZINC001000994563 745959468 /nfs/dbraw/zinc/95/94/68/745959468.db2.gz VRUGSLGVKJGTKH-SJORKVTESA-N 2 0 346.475 0.191 20 30 ECEDRP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001098705795 746318146 /nfs/dbraw/zinc/31/81/46/746318146.db2.gz JRIYKUTVTODCPO-MRXNPFEDSA-N 2 0 344.463 0.506 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001001454543 746393159 /nfs/dbraw/zinc/39/31/59/746393159.db2.gz XTWPMCSGXCQMFX-IAGOWNOFSA-N 2 0 346.475 0.473 20 30 ECEDRP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105361333 752119462 /nfs/dbraw/zinc/11/94/62/752119462.db2.gz WQNLDOJQGMCZBC-UHFFFAOYSA-N 2 0 344.463 0.813 20 30 ECEDRP C[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000262271658 746848258 /nfs/dbraw/zinc/84/82/58/746848258.db2.gz GXYUVJLYJGHFEY-HUUCEWRRSA-N 2 0 339.484 0.008 20 30 ECEDRP C#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001088350312 748871718 /nfs/dbraw/zinc/87/17/18/748871718.db2.gz UJJFGNNXEDUVGL-VZDIDWBNSA-N 2 0 331.460 0.844 20 30 ECEDRP C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000980404934 749503782 /nfs/dbraw/zinc/50/37/82/749503782.db2.gz FGVBWWCVVWCOIO-CVEARBPZSA-N 2 0 334.464 0.402 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCc1ccnn1C ZINC001027943915 749675966 /nfs/dbraw/zinc/67/59/66/749675966.db2.gz PDEYIVAOHQGHCU-MSOLQXFVSA-N 2 0 343.475 0.641 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3ccnn3C)[C@@H]2C)CC1 ZINC000987574738 750977148 /nfs/dbraw/zinc/97/71/48/750977148.db2.gz GTVTYWHEVDTMPW-MAUKXSAKSA-N 2 0 343.475 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCCC3)C2)CC1 ZINC001021090153 752530263 /nfs/dbraw/zinc/53/02/63/752530263.db2.gz NITPGQDQLRFFRM-QAQDUYKDSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cccn3)C2)CC1 ZINC001021090181 752530706 /nfs/dbraw/zinc/53/07/06/752530706.db2.gz OCPIHLGUMLMLLN-QAQDUYKDSA-N 2 0 329.448 0.465 20 30 ECEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168290508 754027074 /nfs/dbraw/zinc/02/70/74/754027074.db2.gz GXBKBVFOWKIBKI-HUUCEWRRSA-N 2 0 349.479 0.375 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)nn1 ZINC001105376983 754449917 /nfs/dbraw/zinc/44/99/17/754449917.db2.gz NWGBHMKSWFJCKQ-GASCZTMLSA-N 2 0 344.463 0.647 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cnns3)C[C@H]2C)CC1 ZINC000989828708 754497671 /nfs/dbraw/zinc/49/76/71/754497671.db2.gz HVAHUOUHFCOYBD-HIFRSBDPSA-N 2 0 347.488 0.962 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCn3cncn3)C[C@H]2C)CC1 ZINC000989829134 754498819 /nfs/dbraw/zinc/49/88/19/754498819.db2.gz OJKDCYYTDYYSJT-WBVHZDCISA-N 2 0 344.463 0.202 20 30 ECEDRP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001028710545 754787443 /nfs/dbraw/zinc/78/74/43/754787443.db2.gz WOIFUNRNVVXGMC-ZACQAIPSSA-N 2 0 337.464 0.490 20 30 ECEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105667105 755600671 /nfs/dbraw/zinc/60/06/71/755600671.db2.gz OBLQBNXBQFAYAN-PSBWJHGTSA-N 2 0 335.492 0.928 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1=O ZINC000996677579 758447576 /nfs/dbraw/zinc/44/75/76/758447576.db2.gz LGNXMZMGYBQGOQ-SJORKVTESA-N 2 0 348.491 0.694 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCn3cncn3)C2)CC1 ZINC001046850398 763230200 /nfs/dbraw/zinc/23/02/00/763230200.db2.gz VGYJFTYPGUDHCR-GOSISDBHSA-N 2 0 344.463 0.204 20 30 ECEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)C2)CC1 ZINC001052081356 763797700 /nfs/dbraw/zinc/79/77/00/763797700.db2.gz AETWYRYKTIYURO-QZTJIDSGSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](N3CC[NH+](CCC)CC3)C2)CC1 ZINC001052121505 763942098 /nfs/dbraw/zinc/94/20/98/763942098.db2.gz DPZBBCWIIVLEBV-IBGZPJMESA-N 2 0 346.519 0.960 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000995228031 764105062 /nfs/dbraw/zinc/10/50/62/764105062.db2.gz HAFGEKYRXACAHP-GDBMZVCRSA-N 2 0 345.447 0.789 20 30 ECEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001047501154 764525504 /nfs/dbraw/zinc/52/55/04/764525504.db2.gz NHCCFSAOBUGACX-SQNIBIBYSA-N 2 0 333.476 0.920 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@@H]3CCNC3=O)CC2)CC1 ZINC001052959011 765415085 /nfs/dbraw/zinc/41/50/85/765415085.db2.gz QFTVURMYHCCAJE-IAGOWNOFSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCCOC3)C2)CC1 ZINC001016338155 766146457 /nfs/dbraw/zinc/14/64/57/766146457.db2.gz XHMUMDSGUYXHDC-AEFFLSMTSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001168441274 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ZINC001027694426 746862944 /nfs/dbraw/zinc/86/29/44/746862944.db2.gz YEIRXVCXDYUVKN-GDBMZVCRSA-N 2 0 334.464 0.128 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H]([C@@H](C)[NH2+]CC3CC3)C2)CC1 ZINC000979457773 747878937 /nfs/dbraw/zinc/87/89/37/747878937.db2.gz MUYKXZNTWGRPBE-QAPCUYQASA-N 2 0 333.476 0.947 20 30 ECEDRP C=CCN1CCN(C(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)CC1 ZINC000985832746 749201276 /nfs/dbraw/zinc/20/12/76/749201276.db2.gz OGNAQGNBQMSGHU-INIZCTEOSA-N 2 0 349.479 0.006 20 30 ECEDRP CC[NH+]=C(NCCN1CCSCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262791167 749774012 /nfs/dbraw/zinc/77/40/12/749774012.db2.gz NZLUICPEIPZSJF-MRXNPFEDSA-N 2 0 337.537 0.947 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cnns3)C2)CC1 ZINC001021089628 752528747 /nfs/dbraw/zinc/52/87/47/752528747.db2.gz FMGOERHMPDZHMX-HDJSIYSDSA-N 2 0 333.461 0.620 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCS[C@@H](C(C)C)C1 ZINC000261728568 752929883 /nfs/dbraw/zinc/92/98/83/752929883.db2.gz 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CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168344921 754760476 /nfs/dbraw/zinc/76/04/76/754760476.db2.gz FKPVMLMYPIFPNK-HNNXBMFYSA-N 2 0 349.479 0.377 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCn3cncn3)C2)CC1 ZINC001009631407 755094133 /nfs/dbraw/zinc/09/41/33/755094133.db2.gz YBWTWAFZPCGNBZ-QGZVFWFLSA-N 2 0 344.463 0.204 20 30 ECEDRP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)C[N@@H+](C)CCC)[C@@H]2C(C)C)C[C@H]1O ZINC001105669296 755671118 /nfs/dbraw/zinc/67/11/18/755671118.db2.gz QQBQZIMJFKEZLT-RWQQGDIJSA-N 2 0 335.492 0.928 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001076589859 756697050 /nfs/dbraw/zinc/69/70/50/756697050.db2.gz QIULSEJCZVDSKS-RDJZCZTQSA-N 2 0 348.491 0.294 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001011254325 757300187 /nfs/dbraw/zinc/30/01/87/757300187.db2.gz BYRQMKWAVFARMJ-QGZVFWFLSA-N 2 0 348.491 0.343 20 30 ECEDRP 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330.476 0.324 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596173 767350265 /nfs/dbraw/zinc/35/02/65/767350265.db2.gz VSEQDXUUSDXBFA-LPHOPBHVSA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(NC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001046596203 767350409 /nfs/dbraw/zinc/35/04/09/767350409.db2.gz VSEQDXUUSDXBFA-VQIMIIECSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001106594034 768477042 /nfs/dbraw/zinc/47/70/42/768477042.db2.gz NEYDTIJQSRTQAL-BZUAXINKSA-N 2 0 348.491 0.150 20 30 ECEDRP CC[C@@H](C(=O)NC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1)[NH+](C)C ZINC001055632003 769304854 /nfs/dbraw/zinc/30/48/54/769304854.db2.gz OAOJVERPUFGEGY-ZFWWWQNUSA-N 2 0 337.468 0.183 20 30 ECEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001055632223 769307696 /nfs/dbraw/zinc/30/76/96/769307696.db2.gz QUHUONORJIJBEF-CJNGLKHVSA-N 2 0 349.479 0.183 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019325267 771158612 /nfs/dbraw/zinc/15/86/12/771158612.db2.gz RRVIHHAWQPYTLM-HOTGVXAUSA-N 2 0 334.464 0.306 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1=O ZINC001020161523 772231182 /nfs/dbraw/zinc/23/11/82/772231182.db2.gz GMMFXCUJDPFNQV-QAETUUGQSA-N 2 0 346.475 0.352 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1=O ZINC001020174941 772243194 /nfs/dbraw/zinc/24/31/94/772243194.db2.gz ZUGUVGICROVSIO-QUSNUVHPSA-N 2 0 348.491 0.740 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+]([C@H](C)C(=O)NC)CC2)CC1 ZINC001045646666 775961413 /nfs/dbraw/zinc/96/14/13/775961413.db2.gz LMAMUVDNFVEMPY-OAHLLOKOSA-N 2 0 348.491 0.437 20 30 ECEDRP C#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)CC1 ZINC001045669963 776006768 /nfs/dbraw/zinc/00/67/68/776006768.db2.gz JXCBMERAKRTWKI-QZTJIDSGSA-N 2 0 345.487 0.949 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001070192771 783626348 /nfs/dbraw/zinc/62/63/48/783626348.db2.gz OHJFISXUCNDBEV-PMPSAXMXSA-N 2 0 330.436 0.126 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1n1ccnn1 ZINC001070305466 783811508 /nfs/dbraw/zinc/81/15/08/783811508.db2.gz ZJMHRQVOJDSONX-SJORKVTESA-N 2 0 346.479 0.926 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001070502287 784197901 /nfs/dbraw/zinc/19/79/01/784197901.db2.gz HTXBTLFCCXGBGU-XYJFISCASA-N 2 0 343.475 0.812 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070543350 784247664 /nfs/dbraw/zinc/24/76/64/784247664.db2.gz WXIBGIWHJDCTSC-FUHWJXTLSA-N 2 0 343.475 0.669 20 30 ECEDRP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001070994993 784353052 /nfs/dbraw/zinc/35/30/52/784353052.db2.gz MEIAMZQXUYTTFW-UHFFFAOYSA-N 2 0 336.480 0.555 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001070648941 784495444 /nfs/dbraw/zinc/49/54/44/784495444.db2.gz FPYQDMBJEWVOKE-YLFCFFPRSA-N 2 0 343.475 0.668 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070655213 784506538 /nfs/dbraw/zinc/50/65/38/784506538.db2.gz ADWIDUIOSUUIBT-INMHGKMJSA-N 2 0 331.464 0.830 20 30 ECEDRP C#CCC[NH+]1CCN(CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267574680 837822732 /nfs/dbraw/zinc/82/27/32/837822732.db2.gz POEXZDDQZXHGBM-UHFFFAOYSA-N 2 0 334.508 0.960 20 30 ECEDRP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001266531148 835947464 /nfs/dbraw/zinc/94/74/64/835947464.db2.gz UOFFPTDLJFFAOH-HOCLYGCPSA-N 2 0 347.463 0.224 20 30 ECEDRP C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266897898 836448926 /nfs/dbraw/zinc/44/89/26/836448926.db2.gz QCPOAUGKCMBAPB-JKSUJKDBSA-N 2 0 346.475 0.048 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267012603 836614046 /nfs/dbraw/zinc/61/40/46/836614046.db2.gz VJYLRSFWNGVEJD-HOTGVXAUSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267070107 836713852 /nfs/dbraw/zinc/71/38/52/836713852.db2.gz HXMCDHHPJKRFHB-MRXNPFEDSA-N 2 0 334.464 0.050 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267088687 836738921 /nfs/dbraw/zinc/73/89/21/836738921.db2.gz NVOPOWOQOCQWRZ-DLBZAZTESA-N 2 0 348.491 0.485 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](NCC(N)=O)c2ccccc2)CC1 ZINC001267381342 837305302 /nfs/dbraw/zinc/30/53/02/837305302.db2.gz ARKYVJRCVWXJKQ-QGZVFWFLSA-N 2 0 342.443 0.264 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CC(=O)NCC)C2)CC1 ZINC001267707841 838311410 /nfs/dbraw/zinc/31/14/10/838311410.db2.gz IATNTZYZQKVSRK-MRXNPFEDSA-N 2 0 348.491 0.248 20 30 ECEDRP C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000151712754 254499674 /nfs/dbraw/zinc/49/96/74/254499674.db2.gz HYGPVFDPYIVMDN-ZDUSSCGKSA-N 2 0 333.436 0.872 20 30 ECEDRP [NH2+]=C(NCC(=O)NCC[NH+]1CCCCCC1)N1CCSCC1 ZINC000262624620 295005667 /nfs/dbraw/zinc/00/56/67/295005667.db2.gz AXMPAGOUYKPHBP-UHFFFAOYSA-N 2 0 327.498 0.342 20 30 ECEDRP C[N@@H+]1CC[C@H](CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)C1 ZINC000089120488 436406387 /nfs/dbraw/zinc/40/63/87/436406387.db2.gz DPJJEZWPHPPVLD-ZIAGYGMSSA-N 2 0 337.468 0.819 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COC2(CCOCC2)O1 ZINC000262129916 436909185 /nfs/dbraw/zinc/90/91/85/436909185.db2.gz KPCKSLHWNXCCJY-UONOGXRCSA-N 2 0 326.441 0.297 20 30 ECEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000264084727 437017377 /nfs/dbraw/zinc/01/73/77/437017377.db2.gz IWIIEAHEHAGSQB-UHFFFAOYSA-N 2 0 347.467 0.026 20 30 ECEDRP C[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000329228119 437336435 /nfs/dbraw/zinc/33/64/35/437336435.db2.gz AHWLFPHHXGRUBN-CVEARBPZSA-N 2 0 325.501 0.856 20 30 ECEDRP C[C@H](C(=O)N(C)CCC#N)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306199 437918201 /nfs/dbraw/zinc/91/82/01/437918201.db2.gz SJVLMUYIWDOZOU-NVXWUHKLSA-N 2 0 335.496 0.847 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000374755647 438228878 /nfs/dbraw/zinc/22/88/78/438228878.db2.gz SZNFHKSDQDMROF-UHFFFAOYSA-N 2 0 334.464 0.425 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000419576404 438363177 /nfs/dbraw/zinc/36/31/77/438363177.db2.gz XLWQGKYFYTZRNJ-ZACQAIPSSA-N 2 0 348.491 0.622 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000419731241 438369613 /nfs/dbraw/zinc/36/96/13/438369613.db2.gz QTSJASCERBFSIN-IYBDPMFKSA-N 2 0 334.464 0.496 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)[C@@H](C)CC)CC1 ZINC000359261595 438396837 /nfs/dbraw/zinc/39/68/37/438396837.db2.gz FSCPKIFSDSCWAE-HNNXBMFYSA-N 2 0 338.496 0.990 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420370837 438402996 /nfs/dbraw/zinc/40/29/96/438402996.db2.gz CXMLCLUIMAEPOC-CFVMTHIKSA-N 2 0 338.452 0.605 20 30 ECEDRP C#CCNC(=O)C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000491047820 439325340 /nfs/dbraw/zinc/32/53/40/439325340.db2.gz VYLMBEBFJBGFRF-UHFFFAOYSA-N 2 0 334.508 0.864 20 30 ECEDRP C#CCN1CCN(C(=O)C[N@@H+](CCC(N)=O)Cc2ccccc2)CC1 ZINC000490865293 439305236 /nfs/dbraw/zinc/30/52/36/439305236.db2.gz AGYYBYVMSUUXDI-UHFFFAOYSA-N 2 0 342.443 0.141 20 30 ECEDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1C#N ZINC000599337674 439439720 /nfs/dbraw/zinc/43/97/20/439439720.db2.gz DQEQXTADBMYERK-SFHVURJKSA-N 2 0 346.475 0.867 20 30 ECEDRP C[NH+](C)CCOc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)ccn1 ZINC000611587201 439708053 /nfs/dbraw/zinc/70/80/53/439708053.db2.gz YPVVWHGUVAJWRK-UHFFFAOYSA-N 2 0 331.420 0.740 20 30 ECEDRP C=CC[C@@]1(C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000662744371 439866231 /nfs/dbraw/zinc/86/62/31/439866231.db2.gz FWGDQIQNJKCFBP-KRWDZBQOSA-N 2 0 348.451 0.198 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000672013410 548255857 /nfs/dbraw/zinc/25/58/57/548255857.db2.gz DKUPIVZHHCILEI-AWEZNQCLSA-N 2 0 336.480 0.600 20 30 ECEDRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852867508 589519930 /nfs/dbraw/zinc/51/99/30/589519930.db2.gz WWRGDTDLKBJFPN-UHFFFAOYSA-N 2 0 334.464 0.048 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1 ZINC000875182718 590279169 /nfs/dbraw/zinc/27/91/69/590279169.db2.gz WNLMRPXTEXNBNG-ZBFHGGJFSA-N 2 0 334.464 0.306 20 30 ECEDRP CCN1CC[NH+](C[C@H](C)CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884235025 590784423 /nfs/dbraw/zinc/78/44/23/590784423.db2.gz KYERADFXRZUJGS-FXQQTDPRSA-N 2 0 347.507 0.516 20 30 ECEDRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)C1 ZINC000884236273 590785707 /nfs/dbraw/zinc/78/57/07/590785707.db2.gz QEPWTCJUSIORGR-DHADLLTHSA-N 2 0 345.491 0.364 20 30 ECEDRP 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C#CC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCN(CC)CC2)CC1 ZINC000914100681 609852969 /nfs/dbraw/zinc/85/29/69/609852969.db2.gz KVXGAHKKVGPYLC-UHFFFAOYSA-N 2 0 349.523 0.801 20 30 ECEDRP C=C1[C@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000912998332 610029059 /nfs/dbraw/zinc/02/90/59/610029059.db2.gz FZZHQYYAJRXIFO-WCVJEAGWSA-N 2 0 334.464 0.209 20 30 ECEDRP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940908796 610428615 /nfs/dbraw/zinc/42/86/15/610428615.db2.gz PTOXZVNKDFTAPF-BWRBCVJASA-N 2 0 331.460 0.700 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](C(C)C)C3)CC2)CC1 ZINC000941677395 610450428 /nfs/dbraw/zinc/45/04/28/610450428.db2.gz OHORUNSCBAAKQC-UHFFFAOYSA-N 2 0 332.492 0.568 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000950076441 611858599 /nfs/dbraw/zinc/85/85/99/611858599.db2.gz DNQSLCNIHYNLHM-IAGOWNOFSA-N 2 0 346.475 0.000 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCN(CC)C3=O)C2)CC1 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VWWSWBPFVBMHLF-QGZVFWFLSA-N 2 0 343.475 0.498 20 30 ECEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@H](CNC(=O)[C@H]1CN(C)CCO1)O2 ZINC001053585745 766376388 /nfs/dbraw/zinc/37/63/88/766376388.db2.gz KIFWPNCZFBBITM-HZPDHXFCSA-N 2 0 337.464 0.633 20 30 ECEDRP C=CCN1CC[C@H](N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1=O ZINC001031682147 766450241 /nfs/dbraw/zinc/45/02/41/766450241.db2.gz WDKNVBJKRLXMMK-BMFZPTHFSA-N 2 0 334.464 0.162 20 30 ECEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254968 766606520 /nfs/dbraw/zinc/60/65/20/766606520.db2.gz GZQCZRBQHBTJQA-CVEARBPZSA-N 2 0 349.479 0.329 20 30 ECEDRP C#CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)C1 ZINC001046031892 766702587 /nfs/dbraw/zinc/70/25/87/766702587.db2.gz BKXBNPIKODZYBN-GBESFXJTSA-N 2 0 346.519 0.959 20 30 ECEDRP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)C1 ZINC001046035789 766722142 /nfs/dbraw/zinc/72/21/42/766722142.db2.gz SRMPLMDWDNITSY-RBUKOAKNSA-N 2 0 346.519 0.816 20 30 ECEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212293523 767173885 /nfs/dbraw/zinc/17/38/85/767173885.db2.gz VOTCHLLTVZLQSA-BRWVUGGUSA-N 2 0 337.464 0.346 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001106621380 768520100 /nfs/dbraw/zinc/52/01/00/768520100.db2.gz ILRKYTDBDGRGHL-BFYDXBDKSA-N 2 0 348.491 0.150 20 30 ECEDRP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001055578614 769174649 /nfs/dbraw/zinc/17/46/49/769174649.db2.gz QVNSPNJQMSGRHI-MRXNPFEDSA-N 2 0 348.491 0.438 20 30 ECEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC001055632226 769306331 /nfs/dbraw/zinc/30/63/31/769306331.db2.gz QUHUONORJIJBEF-XJKSGUPXSA-N 2 0 349.479 0.183 20 30 ECEDRP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001055632328 769306639 /nfs/dbraw/zinc/30/66/39/769306639.db2.gz SAJNCSQCCAEBBO-GJZGRUSLSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC000993855329 769763155 /nfs/dbraw/zinc/76/31/55/769763155.db2.gz OFYIJSOSPBUUQA-HNNXBMFYSA-N 2 0 346.475 0.143 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001019386418 771236839 /nfs/dbraw/zinc/23/68/39/771236839.db2.gz NSEPRXYEVFVATD-HOTGVXAUSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCCO)[C@H]3C2)CC1 ZINC001042369288 780158278 /nfs/dbraw/zinc/15/82/78/780158278.db2.gz WBIBNMFTVRGMGQ-AEFFLSMTSA-N 2 0 333.476 0.637 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001070493136 784187032 /nfs/dbraw/zinc/18/70/32/784187032.db2.gz LNLOYXDWLAHNJG-SOLBZPMBSA-N 2 0 343.475 0.832 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534730 784239745 /nfs/dbraw/zinc/23/97/45/784239745.db2.gz LELCVFMHXRJZJT-YQQAZPJKSA-N 2 0 329.448 0.279 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563726 784280522 /nfs/dbraw/zinc/28/05/22/784280522.db2.gz ITJJUPUMWDTVQM-HLLBOEOZSA-N 2 0 331.464 0.832 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1c1cncn1C ZINC001070721082 784595778 /nfs/dbraw/zinc/59/57/78/784595778.db2.gz MYJGMEABXQLXIN-IAGOWNOFSA-N 2 0 343.475 0.813 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@@H](C)COC)C3)CC1 ZINC001073457213 789864499 /nfs/dbraw/zinc/86/44/99/789864499.db2.gz GGMJYXRXMPWDPD-INIZCTEOSA-N 2 0 333.476 0.901 20 30 ECEDRP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001266513597 835923551 /nfs/dbraw/zinc/92/35/51/835923551.db2.gz CZFPEPQKFWNMTF-INIZCTEOSA-N 2 0 347.463 0.146 20 30 ECEDRP C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266542179 835963951 /nfs/dbraw/zinc/96/39/51/835963951.db2.gz JHDDFFQHKZZELK-JKSUJKDBSA-N 2 0 336.480 0.696 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001266685203 836139566 /nfs/dbraw/zinc/13/95/66/836139566.db2.gz BLLWVMQRLRPFHF-RBGFHDKUSA-N 2 0 334.464 0.091 20 30 ECEDRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266716849 836191117 /nfs/dbraw/zinc/19/11/17/836191117.db2.gz QZOJNMSNDYRILH-QLFBSQMISA-N 2 0 335.452 0.126 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001266767416 836273593 /nfs/dbraw/zinc/27/35/93/836273593.db2.gz NAJBUIGBWSVLPH-CVEARBPZSA-N 2 0 336.480 0.294 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCC(NC(=O)CC[N@@H+](C)CC)CC1 ZINC001266915376 836474102 /nfs/dbraw/zinc/47/41/02/836474102.db2.gz GVRHGTBDPGXCMA-QQFBHYJXSA-N 2 0 336.480 0.483 20 30 ECEDRP C#Cc1cccc(NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001266992915 836575237 /nfs/dbraw/zinc/57/52/37/836575237.db2.gz FRUYDYSFRZOQTJ-ZBFHGGJFSA-N 2 0 342.443 0.652 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)NCc2nc(CCC)no2)CC1 ZINC001266994379 836580510 /nfs/dbraw/zinc/58/05/10/836580510.db2.gz MOIRUTNBUKWFFT-AWEZNQCLSA-N 2 0 347.463 0.962 20 30 ECEDRP C#CCNC(=O)CN1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267789465 838569517 /nfs/dbraw/zinc/56/95/17/838569517.db2.gz FVQONYDZKUTQMY-KRWDZBQOSA-N 2 0 348.491 0.391 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001267834595 838628015 /nfs/dbraw/zinc/62/80/15/838628015.db2.gz WTJXDAIKDOJVMX-LSDHHAIUSA-N 2 0 334.464 0.237 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001267872688 838668460 /nfs/dbraw/zinc/66/84/60/838668460.db2.gz PSYGAGXCIWXVCQ-APWZRJJASA-N 2 0 348.491 0.486 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CCn2ccnc2)C1=O ZINC001268078088 839274556 /nfs/dbraw/zinc/27/45/56/839274556.db2.gz ULOVKGIZBSNDIR-GJZGRUSLSA-N 2 0 333.436 0.497 20 30 ECEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCCC1 ZINC000264064682 282025999 /nfs/dbraw/zinc/02/59/99/282025999.db2.gz DPUMBQRVDOBVBV-UHFFFAOYSA-N 2 0 331.468 0.788 20 30 ECEDRP C[NH+]=C(NCCN1CCOCC1)NCc1cccc(C[NH+](C)C)c1 ZINC000104171789 436556721 /nfs/dbraw/zinc/55/67/21/436556721.db2.gz ZTOQPFYWBYWUIK-UHFFFAOYSA-N 2 0 333.480 0.745 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000264114907 437016167 /nfs/dbraw/zinc/01/61/67/437016167.db2.gz SDSDFKOFIQFAPR-INIZCTEOSA-N 2 0 331.464 0.734 20 30 ECEDRP C[C@H]1CCC[N@H+](CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264129059 437016680 /nfs/dbraw/zinc/01/66/80/437016680.db2.gz XHBRJHJPEWGSGX-HNNXBMFYSA-N 2 0 331.468 0.645 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccc(F)cc1 ZINC000264106126 437017338 /nfs/dbraw/zinc/01/73/38/437017338.db2.gz PMBMAAHZNWYUFK-HUUCEWRRSA-N 2 0 338.427 0.954 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(O)cc1 ZINC000264101835 437017564 /nfs/dbraw/zinc/01/75/64/437017564.db2.gz OKNMYZKKJORQFN-AWEZNQCLSA-N 2 0 333.436 0.511 20 30 ECEDRP C[C@@H](CN1CCOCC1)NC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000329503067 437376558 /nfs/dbraw/zinc/37/65/58/437376558.db2.gz AMDANNOHJBZKMD-ARFHVFGLSA-N 2 0 340.468 0.416 20 30 ECEDRP [NH2+]=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCOCC1 ZINC000190538426 437628972 /nfs/dbraw/zinc/62/89/72/437628972.db2.gz LELHZWYMXBPSKQ-QGZVFWFLSA-N 2 0 332.448 0.924 20 30 ECEDRP C=CCNC(=O)NC(=O)CN(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000362424496 437738464 /nfs/dbraw/zinc/73/84/64/437738464.db2.gz JRYUXKQDIUJLKZ-UHFFFAOYSA-N 2 0 338.452 0.573 20 30 ECEDRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCN(C)[C@@H](C#N)C3)C2)CC1 ZINC000372224070 438050989 /nfs/dbraw/zinc/05/09/89/438050989.db2.gz WDPICRVXKZJABI-HOCLYGCPSA-N 2 0 334.468 0.004 20 30 ECEDRP CCN1CCO[C@H](CN2CC[NH+](CCCSCC#N)CC2)C1 ZINC000372619574 438106090 /nfs/dbraw/zinc/10/60/90/438106090.db2.gz JOGZPPOVVNHJQS-INIZCTEOSA-N 2 0 326.510 0.972 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000419727104 438370375 /nfs/dbraw/zinc/37/03/75/438370375.db2.gz KVWMYFHOTXLDTO-GJZGRUSLSA-N 2 0 336.480 0.586 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440981931 438573561 /nfs/dbraw/zinc/57/35/61/438573561.db2.gz KWVPEPHUYAGHLA-UHFFFAOYSA-N 2 0 337.512 0.962 20 30 ECEDRP N#CCc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCC(O)CC2)cc1 ZINC000563141623 438860798 /nfs/dbraw/zinc/86/07/98/438860798.db2.gz LPVPNROENHPYMT-SFHVURJKSA-N 2 0 347.459 0.929 20 30 ECEDRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)CC3(C#N)CC3)cn2)CC1 ZINC000599290026 439420537 /nfs/dbraw/zinc/42/05/37/439420537.db2.gz NWLLETFNNKOFGM-INIZCTEOSA-N 2 0 329.448 0.978 20 30 ECEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000594437134 439561159 /nfs/dbraw/zinc/56/11/59/439561159.db2.gz IPGVLXXEEBFWSG-HNNXBMFYSA-N 2 0 335.452 0.164 20 30 ECEDRP C[NH2+]CCCc1[nH]nc(NC(=O)C2CC[NH+](C(C)C)CC2)c1C#N ZINC000584506078 439594770 /nfs/dbraw/zinc/59/47/70/439594770.db2.gz NGXJBLOSRRFZNW-UHFFFAOYSA-N 2 0 332.452 1.492 20 30 ECEDRP N#Cc1sccc1N1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000594735282 439598792 /nfs/dbraw/zinc/59/87/92/439598792.db2.gz KEBFJDUZSCJUSG-CQSZACIVSA-N 2 0 347.488 0.939 20 30 ECEDRP CC(C)[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N1CC[NH+](C)CC1 ZINC000574685097 439720820 /nfs/dbraw/zinc/72/08/20/439720820.db2.gz ZAPUDBCLYSOVMG-DLBZAZTESA-N 2 0 325.501 0.054 20 30 ECEDRP C=CC[C@@]1(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)CCC[NH2+]1 ZINC000638856515 440632715 /nfs/dbraw/zinc/63/27/15/440632715.db2.gz NMXHSQXPZPZHHN-QAPCUYQASA-N 2 0 334.464 0.496 20 30 ECEDRP C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000567691031 322593271 /nfs/dbraw/zinc/59/32/71/322593271.db2.gz NRHSHWIOOIURJH-AEFFLSMTSA-N 2 0 346.475 0.771 20 30 ECEDRP C=C1[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000900592238 586644750 /nfs/dbraw/zinc/64/47/50/586644750.db2.gz XHEMLIFPVNGZEQ-FZKCQIBNSA-N 2 0 334.464 0.209 20 30 ECEDRP C=C1[C@H](C(=O)NCC[N@@H+](C)C(C)C)[C@@H]1C(=O)NCC[NH+](C)C(C)C ZINC000900701053 586657526 /nfs/dbraw/zinc/65/75/26/586657526.db2.gz VAXJEMPEMLJGCL-IYBDPMFKSA-N 2 0 338.496 0.701 20 30 ECEDRP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000905428037 586893599 /nfs/dbraw/zinc/89/35/99/586893599.db2.gz QHBRKKONAZHMOU-IBGZPJMESA-N 2 0 345.491 0.734 20 30 ECEDRP C=C[C@H](CO)[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000852713330 589507181 /nfs/dbraw/zinc/50/71/81/589507181.db2.gz DLSLVORDRLSPEK-OAHLLOKOSA-N 2 0 332.448 0.904 20 30 ECEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000876759010 590410270 /nfs/dbraw/zinc/41/02/70/590410270.db2.gz MWUPAURRCFZSDC-ZDUSSCGKSA-N 2 0 330.860 0.515 20 30 ECEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884305229 590799947 /nfs/dbraw/zinc/79/99/47/590799947.db2.gz OXSVOSBZWKXVID-TVRKMHQQSA-N 3 0 349.523 0.858 20 30 ECEDRP C#CCN(C(=O)C(=O)NC[C@H]1CCCC[N@H+]1CC)C1CC[NH+](C)CC1 ZINC000929955343 611371448 /nfs/dbraw/zinc/37/14/48/611371448.db2.gz 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ZINC001050756847 760789910 /nfs/dbraw/zinc/78/99/10/760789910.db2.gz KALUALBQOJINID-KRWDZBQOSA-N 2 0 333.476 0.902 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CCC[N@H+]4C)C[C@H]3C2)C1=O ZINC001048723763 761045474 /nfs/dbraw/zinc/04/54/74/761045474.db2.gz OTJUJDSEAFCMFU-YVSFHVDLSA-N 2 0 346.475 0.258 20 30 ECEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001052073993 763778152 /nfs/dbraw/zinc/77/81/52/763778152.db2.gz RFBPQYZYEWFMFJ-SFHVURJKSA-N 2 0 332.492 0.570 20 30 ECEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081360 763797180 /nfs/dbraw/zinc/79/71/80/763797180.db2.gz AETWYRYKTIYURO-ZWKOTPCHSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CC[NH+]1CCC([C@H]2CCCN(C(=O)[C@@H]3CN(C)CCO3)C2)CC1 ZINC001047227665 763816796 /nfs/dbraw/zinc/81/67/96/763816796.db2.gz DZDYBHAUULZJRY-ROUUACIJSA-N 2 0 333.476 0.901 20 30 ECEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052107267 763884591 /nfs/dbraw/zinc/88/45/91/763884591.db2.gz CNICCVIYETXHFJ-QGZVFWFLSA-N 2 0 330.476 0.324 20 30 ECEDRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC001047627335 764923656 /nfs/dbraw/zinc/92/36/56/764923656.db2.gz OOFJDVQMNIPGGA-SQNIBIBYSA-N 2 0 342.443 0.513 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001016337531 766144979 /nfs/dbraw/zinc/14/49/79/766144979.db2.gz RKRDFGPBOOVVDK-FUHWJXTLSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@H]12 ZINC000992310891 766232661 /nfs/dbraw/zinc/23/26/61/766232661.db2.gz NDXUSNRLKPBXHS-WMZOPIPTSA-N 2 0 329.448 0.805 20 30 ECEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)CC2)C1 ZINC001046054637 766802111 /nfs/dbraw/zinc/80/21/11/766802111.db2.gz BAIKWWCUIREPRK-OALUTQOASA-N 2 0 346.519 0.960 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC2)C1 ZINC001046064842 766846485 /nfs/dbraw/zinc/84/64/85/766846485.db2.gz WHSVYYYWWIEWDE-ROUUACIJSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046073341 766885720 /nfs/dbraw/zinc/88/57/20/766885720.db2.gz BWFOFCIZIXDGAA-GOSISDBHSA-N 2 0 332.492 0.570 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106907977 767104891 /nfs/dbraw/zinc/10/48/91/767104891.db2.gz KMZZGXXAAYWMJS-OWCLPIDISA-N 2 0 338.496 0.703 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CC(=O)NC)CC3)CC1 ZINC001016984617 767439001 /nfs/dbraw/zinc/43/90/01/767439001.db2.gz GGLBUCOOMBTVQE-INIZCTEOSA-N 2 0 346.475 0.048 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)CC1 ZINC000992927800 767800732 /nfs/dbraw/zinc/80/07/32/767800732.db2.gz VSTTZSATAYAHIT-YESZJQIVSA-N 2 0 346.475 0.034 20 30 ECEDRP C[C@@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001055625875 769290708 /nfs/dbraw/zinc/29/07/08/769290708.db2.gz LJXFNNAIZTZATC-AWEZNQCLSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C(C)C)C2=O)C1 ZINC001018985407 770482134 /nfs/dbraw/zinc/48/21/34/770482134.db2.gz QUMNNNGRXPDHHE-BBWFWOEESA-N 2 0 346.475 0.284 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCCOC3)C2)CC1 ZINC001019814335 771829199 /nfs/dbraw/zinc/82/91/99/771829199.db2.gz ZLNJPISNLZUHRX-WMZOPIPTSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC001020250549 772351015 /nfs/dbraw/zinc/35/10/15/772351015.db2.gz IESMORWSTLLYFY-ZOBUZTSGSA-N 2 0 327.432 0.619 20 30 ECEDRP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001070026871 790374528 /nfs/dbraw/zinc/37/45/28/790374528.db2.gz LOEVWMRVWFHCMV-XHSDSOJGSA-N 2 0 332.452 0.680 20 30 ECEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]3COC[C@@H]32)CC1 ZINC001079273627 780949190 /nfs/dbraw/zinc/94/91/90/780949190.db2.gz HOWDZVNJGAGOLZ-YESZJQIVSA-N 2 0 331.460 0.511 20 30 ECEDRP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C2)C1 ZINC001041489219 781618832 /nfs/dbraw/zinc/61/88/32/781618832.db2.gz QKULWBRFVYRMSE-YDXUJSMASA-N 2 0 331.460 0.960 20 30 ECEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1CC ZINC001037938237 783714992 /nfs/dbraw/zinc/71/49/92/783714992.db2.gz STNRJXPQMBUYAH-WBVHZDCISA-N 2 0 331.464 0.908 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001070493265 784187251 /nfs/dbraw/zinc/18/72/51/784187251.db2.gz RDWDAGXNWGZQMO-XYJFISCASA-N 2 0 341.459 0.279 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534982 784239583 /nfs/dbraw/zinc/23/95/83/784239583.db2.gz YBLITVLHEAIUQI-DOTOQJQBSA-N 2 0 343.475 0.669 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1c1cncn1C ZINC001070655483 784507489 /nfs/dbraw/zinc/50/74/89/784507489.db2.gz NRDJCNAWEIBGDH-HUUCEWRRSA-N 2 0 331.464 0.974 20 30 ECEDRP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603927 786755374 /nfs/dbraw/zinc/75/53/74/786755374.db2.gz SBLZFPMYXDMWPZ-INIZCTEOSA-N 2 0 347.463 0.289 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@@H](CC)C(N)=O)[C@@H]2C)CC1 ZINC001075129006 788947616 /nfs/dbraw/zinc/94/76/16/788947616.db2.gz NZGNYFSZNLRVNA-BPUTZDHNSA-N 2 0 334.464 0.175 20 30 ECEDRP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267488944 837552830 /nfs/dbraw/zinc/55/28/30/837552830.db2.gz SDBFBHJVZZLAOP-HUUCEWRRSA-N 2 0 337.468 0.279 20 30 ECEDRP C#CCC[N@H+]1CC[C@H](CCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001267531683 837705366 /nfs/dbraw/zinc/70/53/66/837705366.db2.gz WXGAGIFYGSRFNN-INIZCTEOSA-N 2 0 331.464 0.910 20 30 ECEDRP C=CC[NH+]1CCN(CCN(C)C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001267572021 837805948 /nfs/dbraw/zinc/80/59/48/837805948.db2.gz DHXCRLQHOWJVQO-UHFFFAOYSA-N 2 0 348.495 0.320 20 30 ECEDRP C=CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266373295 835785034 /nfs/dbraw/zinc/78/50/34/835785034.db2.gz ACSLWUPBMKRTJA-INIZCTEOSA-N 2 0 348.491 0.744 20 30 ECEDRP CC(C)(C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C1CC1)[NH+]1CCCCC1 ZINC001266409940 835814979 /nfs/dbraw/zinc/81/49/79/835814979.db2.gz UWIZZMIUKMAJLC-HNNXBMFYSA-N 2 0 349.479 0.375 20 30 ECEDRP COCC#CC[NH2+][C@@H](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001267151172 836854088 /nfs/dbraw/zinc/85/40/88/836854088.db2.gz LTVRHVITMJDYAU-HNNXBMFYSA-N 2 0 325.453 0.231 20 30 ECEDRP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267296992 837156155 /nfs/dbraw/zinc/15/61/55/837156155.db2.gz YYWKYLPDOLMUAT-CVEARBPZSA-N 2 0 336.480 0.601 20 30 ECEDRP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001267767677 838505543 /nfs/dbraw/zinc/50/55/43/838505543.db2.gz QDLIWUSIGUUATI-CABCVRRESA-N 2 0 335.452 0.033 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)C(C)C ZINC000419564727 254773306 /nfs/dbraw/zinc/77/33/06/254773306.db2.gz CUVAMYMOHKMMFK-JKSUJKDBSA-N 2 0 336.480 0.622 20 30 ECEDRP C#Cc1cccc(NC(=O)CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)c1 ZINC000264101900 275388419 /nfs/dbraw/zinc/38/84/19/275388419.db2.gz ONFHPFITEZLEHV-MRXNPFEDSA-N 2 0 327.432 0.995 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C(C)C ZINC000419572370 277850004 /nfs/dbraw/zinc/85/00/04/277850004.db2.gz QFYOFGJSYKIBEJ-HZPDHXFCSA-N 2 0 336.480 0.622 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000081355654 436343709 /nfs/dbraw/zinc/34/37/09/436343709.db2.gz LXYFHVOJJVAWIY-HNNXBMFYSA-N 2 0 336.480 0.553 20 30 ECEDRP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H]([NH+]3CC=CC3)C2)n1C ZINC000262012274 436901412 /nfs/dbraw/zinc/90/14/12/436901412.db2.gz WWQQYMXVGYLTJO-HNNXBMFYSA-N 2 0 329.452 0.678 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1c2ccccc2CC1=O ZINC000170909767 436960890 /nfs/dbraw/zinc/96/08/90/436960890.db2.gz LMWMPVPNTUAGSF-HNNXBMFYSA-N 2 0 329.448 0.964 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1S(N)(=O)=O ZINC000287228615 437172119 /nfs/dbraw/zinc/17/21/19/437172119.db2.gz NWPSGFVDOJQKPB-ZDUSSCGKSA-N 2 0 339.465 0.223 20 30 ECEDRP C=C(C)C[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CC(=C)C)CC1 ZINC000181252648 437315735 /nfs/dbraw/zinc/31/57/35/437315735.db2.gz SIXLJYNAZFIZRM-UHFFFAOYSA-N 2 0 336.480 0.673 20 30 ECEDRP CN1CCO[C@H](C(=O)NC[C@@]2(N3CCOCC3)CCSC2)C1 ZINC000329751712 437409632 /nfs/dbraw/zinc/40/96/32/437409632.db2.gz VVOOSGBPRFIGGD-ZFWWWQNUSA-N 2 0 329.466 0.481 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000343906652 437691061 /nfs/dbraw/zinc/69/10/61/437691061.db2.gz HPOGRQDRPRAEBI-RHSMWYFYSA-N 2 0 348.491 0.742 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000340804924 437740012 /nfs/dbraw/zinc/74/00/12/437740012.db2.gz UXQDWZZEMKNFEK-OAHLLOKOSA-N 2 0 336.480 0.601 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)NC1CC[NH2+]CC1)C(C)C ZINC000419576927 438363275 /nfs/dbraw/zinc/36/32/75/438363275.db2.gz YLUQIGCHZOZXDC-INIZCTEOSA-N 2 0 336.480 0.669 20 30 ECEDRP COC(=O)[C@H]1C[C@@H]([NH+](C)CC#CC[N@@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595855789 438869895 /nfs/dbraw/zinc/86/98/95/438869895.db2.gz HABMHAZXNNQPGZ-RUPPMWDTSA-N 2 0 336.432 0.757 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)CC1 ZINC000490670686 439283994 /nfs/dbraw/zinc/28/39/94/439283994.db2.gz NVEONOFDIXODKC-KRWDZBQOSA-N 2 0 334.508 0.721 20 30 ECEDRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc2c(C#N)cnn2c1 ZINC000568632123 439264303 /nfs/dbraw/zinc/26/43/03/439264303.db2.gz JPJFQTJFTKLOGI-UHFFFAOYSA-N 2 0 327.436 0.670 20 30 ECEDRP C#CCNC(=O)CC[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000491806959 439455256 /nfs/dbraw/zinc/45/52/56/439455256.db2.gz RZFNDXOOBMHGNR-UHFFFAOYSA-N 2 0 342.487 0.923 20 30 ECEDRP C=CC[C@@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000662716713 439858242 /nfs/dbraw/zinc/85/82/42/439858242.db2.gz VSLVPGAZAWZVNL-SFHVURJKSA-N 2 0 334.464 0.451 20 30 ECEDRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000328724394 546004809 /nfs/dbraw/zinc/00/48/09/546004809.db2.gz SSOLYGVFCOYRAR-JKSUJKDBSA-N 2 0 325.501 0.858 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621846256 546576123 /nfs/dbraw/zinc/57/61/23/546576123.db2.gz YQSSKFDXECGSTI-KBXCAEBGSA-N 2 0 334.464 0.483 20 30 ECEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000836317867 588929641 /nfs/dbraw/zinc/92/96/41/588929641.db2.gz IJEWPHMGIYCDJU-INIZCTEOSA-N 2 0 335.496 0.409 20 30 ECEDRP C#CCN1CCN(C(=O)C[N@@H+]2[C@H](C)[C@H](C(=O)OCC)CC[C@@H]2C)CC1 ZINC000852204831 589450724 /nfs/dbraw/zinc/45/07/24/589450724.db2.gz XHDFIBIXJUQBBU-GVDBMIGSSA-N 2 0 349.475 0.816 20 30 ECEDRP C[NH+]1CCN(c2ccc(CNC(=O)C#CC3CC[NH2+]CC3)cn2)CC1 ZINC000852872116 589520815 /nfs/dbraw/zinc/52/08/15/589520815.db2.gz BMWJBMNZRXJLBV-UHFFFAOYSA-N 2 0 341.459 0.453 20 30 ECEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)C(=C)C[NH+](C)C ZINC000855081961 589619932 /nfs/dbraw/zinc/61/99/32/589619932.db2.gz RRRYMLHRZUPNRZ-HOTGVXAUSA-N 2 0 336.480 0.766 20 30 ECEDRP C[NH+]=C(NCCN1CCCS1(=O)=O)NC1CC[NH+](C(C)C)CC1 ZINC000114090029 589659868 /nfs/dbraw/zinc/65/98/68/589659868.db2.gz ZLLSVMNAOAFPOU-UHFFFAOYSA-N 2 0 345.513 0.060 20 30 ECEDRP COCC[NH2+]C1CCN(C(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CC1 ZINC000876944673 590428696 /nfs/dbraw/zinc/42/86/96/590428696.db2.gz OSMJCHHJKYNPDH-GOSISDBHSA-N 2 0 342.443 0.972 20 30 ECEDRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3CC4(C3)C[NH2+]C[C@@H]4C#N)CC2)C1 ZINC000884236275 590786315 /nfs/dbraw/zinc/78/63/15/590786315.db2.gz QEPWTCJUSIORGR-VIHIWDAPSA-N 2 0 345.491 0.364 20 30 ECEDRP COCCN(CC1CC[NH+](C)CC1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884450809 590832476 /nfs/dbraw/zinc/83/24/76/590832476.db2.gz UHUUIJIAFHWWJM-TVRKMHQQSA-N 2 0 348.491 0.943 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000884642958 590881916 /nfs/dbraw/zinc/88/19/16/590881916.db2.gz UDLMCNOCUQPIBH-LBPRGKRZSA-N 2 0 344.406 0.114 20 30 ECEDRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104168611 591052783 /nfs/dbraw/zinc/05/27/83/591052783.db2.gz FWXPSESHGKWVMA-IRXDYDNUSA-N 2 0 339.528 0.981 20 30 ECEDRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104181485 591053091 /nfs/dbraw/zinc/05/30/91/591053091.db2.gz DSZLEWRAFPRUPQ-MRXNPFEDSA-N 2 0 325.501 0.733 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)[C@@H](C)C2)CC1 ZINC000948071573 611408633 /nfs/dbraw/zinc/40/86/33/611408633.db2.gz ZANAMXTUCOPMAH-HOCLYGCPSA-N 2 0 334.464 0.047 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000937977447 609430163 /nfs/dbraw/zinc/43/01/63/609430163.db2.gz BCAQMIRMIZFXDW-IRXDYDNUSA-N 2 0 346.475 0.000 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)C2CCN(Cc3nccn3C)CC2)CC1 ZINC000928656137 611707317 /nfs/dbraw/zinc/70/73/17/611707317.db2.gz MMXBTNDKIOZBNK-UHFFFAOYSA-N 2 0 343.475 0.846 20 30 ECEDRP C=C(CC[NH+](C)C)C(=O)NC1(C)CN(C(=O)C(=C)CC[NH+](C)C)C1 ZINC000913842393 609827436 /nfs/dbraw/zinc/82/74/36/609827436.db2.gz XBZVAKLPJATXLJ-UHFFFAOYSA-N 2 0 336.480 0.719 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@]3(C2)CCCC[NH2+]3)CC1 ZINC000911236901 609829788 /nfs/dbraw/zinc/82/97/88/609829788.db2.gz VVPQZZZDVJCSRO-IBGZPJMESA-N 2 0 348.491 0.888 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])CC1 ZINC000911236861 609829852 /nfs/dbraw/zinc/82/98/52/609829852.db2.gz VCHXMGLJTCMFEB-RDTXWAMCSA-N 2 0 334.464 0.483 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000911235508 609829859 /nfs/dbraw/zinc/82/98/59/609829859.db2.gz FZWISVITNMVFDG-IAGOWNOFSA-N 2 0 342.443 0.494 20 30 ECEDRP C=C(CC[NH+](C)C)C(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000915066483 609903454 /nfs/dbraw/zinc/90/34/54/609903454.db2.gz OMRRBEJVENYVKB-UHFFFAOYSA-N 2 0 336.480 0.827 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cncn3)C2)CC1 ZINC000939812415 610137487 /nfs/dbraw/zinc/13/74/87/610137487.db2.gz WLIOVZHGIVJVDZ-NVXWUHKLSA-N 2 0 344.463 0.060 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC000945184735 610938567 /nfs/dbraw/zinc/93/85/67/610938567.db2.gz XMIUPIZBJJPYGI-NVXWUHKLSA-N 2 0 348.491 0.246 20 30 ECEDRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000923428992 611242111 /nfs/dbraw/zinc/24/21/11/611242111.db2.gz MPKHNILLYWPNBP-DFGXFYAUSA-N 2 0 329.400 0.804 20 30 ECEDRP C#CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC[NH+](C)CC1 ZINC000929566893 611765635 /nfs/dbraw/zinc/76/56/35/611765635.db2.gz GXBKKEKYICURLG-IAGOWNOFSA-N 2 0 346.475 0.285 20 30 ECEDRP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CCO2 ZINC000949189308 611894504 /nfs/dbraw/zinc/89/45/04/611894504.db2.gz PKRRLBRXTJSQJF-DLBZAZTESA-N 2 0 333.476 0.901 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]Cc3cnc(C)cn3)C2)CC1 ZINC000970792322 733943053 /nfs/dbraw/zinc/94/30/53/733943053.db2.gz JIKCRLZWLROTQS-QGZVFWFLSA-N 2 0 341.459 0.821 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001167619869 736106000 /nfs/dbraw/zinc/10/60/00/736106000.db2.gz MNIUVCJALLNCTL-HZPDHXFCSA-N 2 0 336.480 0.485 20 30 ECEDRP C#CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001023500034 736924932 /nfs/dbraw/zinc/92/49/32/736924932.db2.gz OSPPWTZFWDNPAX-WPZCVXBKSA-N 2 0 331.460 0.701 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)nn1 ZINC001105256703 741571777 /nfs/dbraw/zinc/57/17/77/741571777.db2.gz NWLXSAUJDBKYKR-QGZVFWFLSA-N 2 0 344.463 0.649 20 30 ECEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001105259481 741581093 /nfs/dbraw/zinc/58/10/93/741581093.db2.gz AKVOLUBETWSRBJ-UHFFFAOYSA-N 2 0 332.452 0.811 20 30 ECEDRP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326809 741805586 /nfs/dbraw/zinc/80/55/86/741805586.db2.gz GZMKCSOIWHDXDB-YOEHRIQHSA-N 2 0 346.479 0.915 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC001026889507 742029557 /nfs/dbraw/zinc/02/95/57/742029557.db2.gz XKGKSMNPLQDQKM-WBVHZDCISA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028934280 742903283 /nfs/dbraw/zinc/90/32/83/742903283.db2.gz XWJACZHJLFSPAT-HOTGVXAUSA-N 2 0 346.475 0.307 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001029003509 743159194 /nfs/dbraw/zinc/15/91/94/743159194.db2.gz MUBPNDXHMWGMFN-SJORKVTESA-N 2 0 333.476 0.806 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@H]3CCCNC3=O)C2)CC1 ZINC001029004522 743164687 /nfs/dbraw/zinc/16/46/87/743164687.db2.gz YGWBQESLITZFAI-WBVHZDCISA-N 2 0 346.475 0.048 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCN(C)C3=O)C2)CC1 ZINC001027234029 743245902 /nfs/dbraw/zinc/24/59/02/743245902.db2.gz OJCRHEGXLPQKLJ-NVXWUHKLSA-N 2 0 346.475 0.000 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ncccn3)CC2)CC1 ZINC000997363457 743535271 /nfs/dbraw/zinc/53/52/71/743535271.db2.gz GGIIIVNGOHPALL-UHFFFAOYSA-N 2 0 341.459 0.902 20 30 ECEDRP C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000999195967 744560576 /nfs/dbraw/zinc/56/05/76/744560576.db2.gz UVCPYPXLTHZOGV-KSZLIROESA-N 2 0 333.476 0.947 20 30 ECEDRP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999985331 745138319 /nfs/dbraw/zinc/13/83/19/745138319.db2.gz BFNHIHQGKXTCLO-HYVNUMGLSA-N 2 0 344.463 0.505 20 30 ECEDRP C=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C)nn2)C1 ZINC000999998116 745158591 /nfs/dbraw/zinc/15/85/91/745158591.db2.gz QWPHVVHFZNCWGI-HOTGVXAUSA-N 2 0 332.452 0.811 20 30 ECEDRP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000034975 745210583 /nfs/dbraw/zinc/21/05/83/745210583.db2.gz LEGDOTJULACTJM-INIZCTEOSA-N 2 0 342.447 0.260 20 30 ECEDRP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000045844 745226233 /nfs/dbraw/zinc/22/62/33/745226233.db2.gz RDRQQJDNNBBILK-GDBMZVCRSA-N 2 0 332.452 0.669 20 30 ECEDRP C#CC[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)CC1 ZINC001000214410 745352429 /nfs/dbraw/zinc/35/24/29/745352429.db2.gz MWHMGJIQUYXVKL-RMXPPQQLSA-N 2 0 343.471 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CC1 ZINC001000994550 745959477 /nfs/dbraw/zinc/95/94/77/745959477.db2.gz VRUGSLGVKJGTKH-DLBZAZTESA-N 2 0 346.475 0.191 20 30 ECEDRP C#CCC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001001647911 746569664 /nfs/dbraw/zinc/56/96/64/746569664.db2.gz ZZSFDPDMRIPOKU-HFCFLWKCSA-N 2 0 331.460 0.701 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@@H]2C1 ZINC001088046281 747141321 /nfs/dbraw/zinc/14/13/21/747141321.db2.gz NGIIBGRMOPREAW-QGRXYFRJSA-N 2 0 343.471 0.653 20 30 ECEDRP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]2C1 ZINC001088136035 747469504 /nfs/dbraw/zinc/46/95/04/747469504.db2.gz RQIFDNNIYSIMEF-AEFFLSMTSA-N 2 0 343.475 0.862 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001004149945 749263110 /nfs/dbraw/zinc/26/31/10/749263110.db2.gz OMQDHQTUHGRFPA-HOCLYGCPSA-N 2 0 334.464 0.306 20 30 ECEDRP C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001029904135 749534375 /nfs/dbraw/zinc/53/43/75/749534375.db2.gz NYQCTWQAPBNEFB-IRXDYDNUSA-N 2 0 348.491 0.649 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cn2ccnc2C)CC1 ZINC001168153500 750088129 /nfs/dbraw/zinc/08/81/29/750088129.db2.gz LGPRORLNAKZYTO-AWEZNQCLSA-N 2 0 345.447 0.206 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCC(C)CC3)C2)nn1 ZINC001105347339 750290537 /nfs/dbraw/zinc/29/05/37/750290537.db2.gz AILXGYRYQMGLTG-UHFFFAOYSA-N 2 0 344.463 0.506 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NC[C@](C)(O)c1cccs1 ZINC000261747320 753178598 /nfs/dbraw/zinc/17/85/98/753178598.db2.gz NBZDQJFIXZRSKD-CJNGLKHVSA-N 2 0 339.509 0.366 20 30 ECEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168290507 754027566 /nfs/dbraw/zinc/02/75/66/754027566.db2.gz GXBKBVFOWKIBKI-GJZGRUSLSA-N 2 0 349.479 0.375 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC(=O)N3CCC3)C[C@H]2C)CC1 ZINC000989828173 754496717 /nfs/dbraw/zinc/49/67/17/754496717.db2.gz ARQHNDBGODVQCS-NVXWUHKLSA-N 2 0 346.475 0.143 20 30 ECEDRP CCOC(=O)[C@@H]1CCCN(C(NC[C@@H]2C[N@H+](C)CCN2C)=[NH+]C)C1 ZINC000088645735 754574888 /nfs/dbraw/zinc/57/48/88/754574888.db2.gz WUMUCTMAXBCWSH-HUUCEWRRSA-N 2 0 339.484 0.083 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001009627829 755087482 /nfs/dbraw/zinc/08/74/82/755087482.db2.gz NSUIZFSQPBCNED-WMZOPIPTSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)C[NH+](CC)CC)[C@@H]2C(C)C)C[C@H]1O ZINC001105661978 755372943 /nfs/dbraw/zinc/37/29/43/755372943.db2.gz LUTLZRMNQUFSIU-PSBWJHGTSA-N 2 0 335.492 0.928 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3[C@@H](C)C(N)=O)CC1 ZINC001021470056 757484175 /nfs/dbraw/zinc/48/41/75/757484175.db2.gz UGJJXTQJDDBFTA-LNRIEFBSSA-N 2 0 346.475 0.317 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1=O ZINC001022089202 758261276 /nfs/dbraw/zinc/26/12/76/758261276.db2.gz GMMFXCUJDPFNQV-YYIAUSFCSA-N 2 0 346.475 0.352 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1=O ZINC000996726696 758641344 /nfs/dbraw/zinc/64/13/44/758641344.db2.gz ZDRBIRARDVMVQJ-IAGOWNOFSA-N 2 0 348.491 0.838 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]Cc3cnon3)[C@H](C)C2)CC1 ZINC001048479356 760593036 /nfs/dbraw/zinc/59/30/36/760593036.db2.gz MQBJFYOGGYLKHD-GDBMZVCRSA-N 2 0 345.447 0.599 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C ZINC001106271328 768041727 /nfs/dbraw/zinc/04/17/27/768041727.db2.gz BEQZNPQOOZHPQY-ZACQAIPSSA-N 2 0 348.491 0.294 20 30 ECEDRP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766760 764564674 /nfs/dbraw/zinc/56/46/74/764564674.db2.gz GRBKBTUNSOOIOB-RDJZCZTQSA-N 2 0 344.463 0.506 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CC(=O)NC)CC2)CC1 ZINC001052959492 765415864 /nfs/dbraw/zinc/41/58/64/765415864.db2.gz VSDUOPZEQUCUAV-MRXNPFEDSA-N 2 0 334.464 0.048 20 30 ECEDRP C#CC[N@@H+]1CC[C@@]2(NC(=O)c3cnn(CC[NH+](C)C)c3)CCC[C@@H]12 ZINC000992310886 766232227 /nfs/dbraw/zinc/23/22/27/766232227.db2.gz NDXUSNRLKPBXHS-AEFFLSMTSA-N 2 0 329.448 0.805 20 30 ECEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001127254974 766605866 /nfs/dbraw/zinc/60/58/66/766605866.db2.gz GZQCZRBQHBTJQA-HOTGVXAUSA-N 2 0 349.479 0.329 20 30 ECEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046042865 766757845 /nfs/dbraw/zinc/75/78/45/766757845.db2.gz OIDOANPXCPGGFP-SFHVURJKSA-N 2 0 344.503 0.857 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064455 766843863 /nfs/dbraw/zinc/84/38/63/766843863.db2.gz NQOGBQQTCSPROP-GOSISDBHSA-N 2 0 346.519 0.960 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC23CC[NH+](C[C@@H](C)O)CC3)CC1 ZINC001016984097 767437890 /nfs/dbraw/zinc/43/78/90/767437890.db2.gz CQHLDPGALBYPRA-NVXWUHKLSA-N 2 0 333.476 0.683 20 30 ECEDRP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC000992881843 767737334 /nfs/dbraw/zinc/73/73/34/767737334.db2.gz YBNKVBMHBYYMEC-BPQIPLTHSA-N 2 0 333.476 0.947 20 30 ECEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001127357097 768465080 /nfs/dbraw/zinc/46/50/80/768465080.db2.gz RMZPERLRUJHFAD-HNNXBMFYSA-N 2 0 336.480 0.649 20 30 ECEDRP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001055540140 769060695 /nfs/dbraw/zinc/06/06/95/769060695.db2.gz IXXZRCQQQMZCEJ-INIZCTEOSA-N 2 0 336.480 0.744 20 30 ECEDRP C=CC(C)(C)C(=O)NC1CC[NH+](CCNC(=O)CC[NH+](C)C)CC1 ZINC001055633420 769310479 /nfs/dbraw/zinc/31/04/79/769310479.db2.gz NJDLHRDHNFUHIN-UHFFFAOYSA-N 2 0 338.496 0.847 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1n1ccnn1 ZINC001070288115 783794039 /nfs/dbraw/zinc/79/40/39/783794039.db2.gz ANGGKZJEOPBXNR-BBWFWOEESA-N 2 0 344.463 0.517 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070529587 784234409 /nfs/dbraw/zinc/23/44/09/784234409.db2.gz WJZADMRZYVNYSD-DOTOQJQBSA-N 2 0 329.448 0.279 20 30 ECEDRP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963253 784242026 /nfs/dbraw/zinc/24/20/26/784242026.db2.gz JHUCIMWINRCZHX-KRWDZBQOSA-N 2 0 348.491 0.555 20 30 ECEDRP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001070963254 784242364 /nfs/dbraw/zinc/24/23/64/784242364.db2.gz JHUCIMWINRCZHX-QGZVFWFLSA-N 2 0 348.491 0.555 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cn(C)cn1 ZINC001070563721 784280699 /nfs/dbraw/zinc/28/06/99/784280699.db2.gz IFCZVGJPFRNZRV-DOTOQJQBSA-N 2 0 331.464 0.976 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)C[NH+]3CCCC3)[C@H]2C)C1=O ZINC001075108752 788916951 /nfs/dbraw/zinc/91/69/51/788916951.db2.gz JGGWYDUFFXTOBS-JYJNAYRXSA-N 2 0 334.464 0.448 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](C[C@@H]2CCOC2)C3)CC1 ZINC001073457494 789865626 /nfs/dbraw/zinc/86/56/26/789865626.db2.gz SPEIBBQAOGPTDR-KRWDZBQOSA-N 2 0 345.487 0.902 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+]2CC[C@H](CCNC(=O)Cc3c[nH]cn3)C2)C1=O ZINC001267566934 837785877 /nfs/dbraw/zinc/78/58/77/837785877.db2.gz KLLOWXCZDGMPEK-HOCLYGCPSA-N 2 0 345.447 0.567 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C2CC2)CC1 ZINC001266444762 835847977 /nfs/dbraw/zinc/84/79/77/835847977.db2.gz DQIHCDSDUUQNBR-DLBZAZTESA-N 2 0 346.475 0.047 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+]Cc2ccnn2C)C2CC2)CC1 ZINC001266444993 835848607 /nfs/dbraw/zinc/84/86/07/835848607.db2.gz IRLBJLZURKCERF-SFHVURJKSA-N 2 0 343.475 0.750 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266559550 835987236 /nfs/dbraw/zinc/98/72/36/835987236.db2.gz DPYKZRJBFXADCM-SJORKVTESA-N 2 0 348.491 0.719 20 30 ECEDRP CC(C)[C@@H](C(=O)NCC[NH+]1CCC(NCC#N)CC1)[NH+]1CCCC1 ZINC001279453052 836033912 /nfs/dbraw/zinc/03/39/12/836033912.db2.gz CIJCLPKLEXDYSM-KRWDZBQOSA-N 2 0 335.496 0.801 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266733347 836214364 /nfs/dbraw/zinc/21/43/64/836214364.db2.gz RIBPDZBZGWAZQD-OAGGEKHMSA-N 2 0 334.464 0.237 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266751026 836242214 /nfs/dbraw/zinc/24/22/14/836242214.db2.gz ASLIIEBXAUWNML-CVEARBPZSA-N 2 0 348.491 0.437 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001266758117 836254534 /nfs/dbraw/zinc/25/45/34/836254534.db2.gz NYUGNGXOMAQGQI-HZPDHXFCSA-N 2 0 336.480 0.294 20 30 ECEDRP C#CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898362 836450541 /nfs/dbraw/zinc/45/05/41/836450541.db2.gz VHBOGSLSUPITQO-HZPDHXFCSA-N 2 0 334.464 0.048 20 30 ECEDRP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267302531 837167543 /nfs/dbraw/zinc/16/75/43/837167543.db2.gz FPPRHHQKEUQIQF-OAHLLOKOSA-N 2 0 336.480 0.152 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267991137 838934517 /nfs/dbraw/zinc/93/45/17/838934517.db2.gz ZQXBSELVBDTHOD-NVXWUHKLSA-N 2 0 348.491 0.485 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267994195 838941376 /nfs/dbraw/zinc/94/13/76/838941376.db2.gz OUHDWFUZFBWSCT-CYBMUJFWSA-N 2 0 341.415 0.348 20 30 ECEDRP N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000333844895 270005862 /nfs/dbraw/zinc/00/58/62/270005862.db2.gz OZJBGJVHGWWIQP-PIIMJCKOSA-N 2 0 339.443 0.993 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000343631919 437607488 /nfs/dbraw/zinc/60/74/88/437607488.db2.gz BUKMBEUQQHLOEJ-UHFFFAOYSA-N 2 0 336.480 0.744 20 30 ECEDRP C[NH+](C)CCNC(=O)C1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000195519157 436693144 /nfs/dbraw/zinc/69/31/44/436693144.db2.gz DZPHFIYHPGPHRZ-SFHVURJKSA-N 2 0 349.479 0.185 20 30 ECEDRP COc1ccc(CNC(=[NH2+])NCCN2CCC[N@H+](C)CC2)cc1OC ZINC000264121753 437017234 /nfs/dbraw/zinc/01/72/34/437017234.db2.gz VGUBMCMTIOHVTK-UHFFFAOYSA-N 2 0 349.479 0.746 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCc2ccccc21 ZINC000264306866 437017965 /nfs/dbraw/zinc/01/79/65/437017965.db2.gz TWKQKMXIRLHNCB-HNNXBMFYSA-N 2 0 329.448 0.964 20 30 ECEDRP COC[C@H](C)NC(=[NH2+])NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000264077658 437015210 /nfs/dbraw/zinc/01/52/10/437015210.db2.gz HQRDNPRISYIGEK-HNNXBMFYSA-N 2 0 333.480 0.873 20 30 ECEDRP C#CCNc1nc(N[C@@H](C)C[NH+](C)C)nc(N[C@@H](C)C[NH+](C)C)n1 ZINC000286486329 437092865 /nfs/dbraw/zinc/09/28/65/437092865.db2.gz RBLARKIEHVJRFT-STQMWFEESA-N 2 0 334.472 0.641 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175742626 437114948 /nfs/dbraw/zinc/11/49/48/437114948.db2.gz UKMOPJRETLUVLY-UHFFFAOYSA-N 2 0 337.512 0.962 20 30 ECEDRP C[C@@H](CC#N)N(C)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000330423415 437506942 /nfs/dbraw/zinc/50/69/42/437506942.db2.gz QZONVKRBYIWJEF-AWEZNQCLSA-N 2 0 345.513 0.423 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000343735114 437640845 /nfs/dbraw/zinc/64/08/45/437640845.db2.gz FNDPNYWTOLWIAC-KRWDZBQOSA-N 2 0 348.491 0.840 20 30 ECEDRP COC(=O)[C@@H]1C[NH+](CC#CC[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000375357076 438250488 /nfs/dbraw/zinc/25/04/88/438250488.db2.gz TTXWELMBCWCWFU-KLHDSHLOSA-N 2 0 336.432 0.472 20 30 ECEDRP C#CCN1CCN(C(=O)CN2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)CC1 ZINC000491673347 439424399 /nfs/dbraw/zinc/42/43/99/439424399.db2.gz IJMXGALIGYKCBD-UKRRQHHQSA-N 2 0 347.381 0.399 20 30 ECEDRP CN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593783021 439465534 /nfs/dbraw/zinc/46/55/34/439465534.db2.gz SGLRIRGVKAEWAJ-UHFFFAOYSA-N 2 0 343.431 0.056 20 30 ECEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000594443232 439562451 /nfs/dbraw/zinc/56/24/51/439562451.db2.gz BCOZDSHGHFPEQZ-NWDGAFQWSA-N 2 0 335.374 0.350 20 30 ECEDRP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000600714739 439693680 /nfs/dbraw/zinc/69/36/80/439693680.db2.gz CGEBEYPOXYJFQR-KRWDZBQOSA-N 2 0 333.432 1.000 20 30 ECEDRP C[C@]([NH3+])(C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccc(Br)cc1 ZINC000841849947 586380512 /nfs/dbraw/zinc/38/05/12/586380512.db2.gz QJXWDSCSKTXMOJ-GAJTVXKRSA-N 2 0 337.221 0.851 20 30 ECEDRP C[NH+]1CCC(C#N)(NC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900607771 586647225 /nfs/dbraw/zinc/64/72/25/586647225.db2.gz HNYHDXGFWYWAHH-UHFFFAOYSA-N 2 0 334.464 0.982 20 30 ECEDRP CN1CCC([NH+]2CCC(NC(=O)C#CC3CC[NH2+]CC3)CC2)CC1 ZINC000852863056 589519040 /nfs/dbraw/zinc/51/90/40/589519040.db2.gz JQMYJSVEWVLPPU-UHFFFAOYSA-N 2 0 332.492 0.664 20 30 ECEDRP N#Cc1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cn1 ZINC000873227713 590187140 /nfs/dbraw/zinc/18/71/40/590187140.db2.gz MSZIPUDPDUYHHI-OAHLLOKOSA-N 2 0 342.447 0.273 20 30 ECEDRP N#Cc1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cn1 ZINC000873227706 590187155 /nfs/dbraw/zinc/18/71/55/590187155.db2.gz MSZIPUDPDUYHHI-HNNXBMFYSA-N 2 0 342.447 0.273 20 30 ECEDRP COCCC[N@H+](C)CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876770909 590412373 /nfs/dbraw/zinc/41/23/73/590412373.db2.gz KMFSFGOXWIKWFB-QGZVFWFLSA-N 2 0 330.432 0.830 20 30 ECEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000876879902 590421662 /nfs/dbraw/zinc/42/16/62/590421662.db2.gz DVYCOFLZBCAZCF-CYBMUJFWSA-N 2 0 331.844 0.848 20 30 ECEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884180232 590765256 /nfs/dbraw/zinc/76/52/56/590765256.db2.gz QQGCOUJKVXVMDO-GARNVTTQSA-N 2 0 334.464 0.599 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884642624 590882007 /nfs/dbraw/zinc/88/20/07/590882007.db2.gz NFRZECJMAVTSGX-KBXCAEBGSA-N 2 0 334.464 0.211 20 30 ECEDRP C(#CC[N@@H+]1CC[C@H](C2OCCO2)C1)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000931997102 611592059 /nfs/dbraw/zinc/59/20/59/611592059.db2.gz AZVZOHPHWGLSKZ-HOTGVXAUSA-N 2 0 336.432 0.379 20 30 ECEDRP C(#CC[N@@H+]1CC[C@@H](C2OCCO2)C1)C[NH+]1CC[C@H](C2OCCO2)C1 ZINC000931997104 611592211 /nfs/dbraw/zinc/59/22/11/611592211.db2.gz AZVZOHPHWGLSKZ-IYBDPMFKSA-N 2 0 336.432 0.379 20 30 ECEDRP C=C1[C@H](C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928433286 611688067 /nfs/dbraw/zinc/68/80/67/611688067.db2.gz SJIVBYQSEWONHX-QTKYJZQCSA-N 2 0 334.464 0.206 20 30 ECEDRP C=C1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2C)[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000913333977 609665832 /nfs/dbraw/zinc/66/58/32/609665832.db2.gz FZZHQYYAJRXIFO-CAOSSQGBSA-N 2 0 334.464 0.209 20 30 ECEDRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC#CC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000913523715 609684223 /nfs/dbraw/zinc/68/42/23/609684223.db2.gz JRMRICWJSJMGPB-MSOLQXFVSA-N 2 0 345.491 0.915 20 30 ECEDRP C#CCN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000910884830 609773446 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IYWUKHYIXMCIMI-AOIWGVFYSA-N 2 0 342.443 0.828 20 30 ECEDRP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2CC)[C@@H]1C(=O)NC[C@H]1CC[N@H+]1CC ZINC000922155646 611340335 /nfs/dbraw/zinc/34/03/35/611340335.db2.gz DJMZTHMJRIANQU-GEEKYZPCSA-N 2 0 334.464 0.209 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cccn2)C1 ZINC000971703679 734965145 /nfs/dbraw/zinc/96/51/45/734965145.db2.gz LBCFZYQNNSNWGZ-SJORKVTESA-N 2 0 329.448 0.513 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC001023128529 736524171 /nfs/dbraw/zinc/52/41/71/736524171.db2.gz IOCJCRSDNAUXOY-CALCHBBNSA-N 2 0 329.448 0.502 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CCCC[N@H+]3CC)C2)C1=O ZINC001023130951 736526356 /nfs/dbraw/zinc/52/63/56/736526356.db2.gz OUWTVPQQWXAPBD-TWMKSMIVSA-N 2 0 348.491 0.885 20 30 ECEDRP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001023640519 737129005 /nfs/dbraw/zinc/12/90/05/737129005.db2.gz HSBQARSQVLJLJL-INIZCTEOSA-N 2 0 331.464 0.910 20 30 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IEOYOZWIYJGULH-CAOSSQGBSA-N 2 0 334.464 0.447 20 30 ECEDRP C#CCC[N@H+]1CCC2(CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)C1 ZINC001072852994 788966223 /nfs/dbraw/zinc/96/62/23/788966223.db2.gz WHDSGOCPCGBCHZ-UHFFFAOYSA-N 2 0 333.476 0.902 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001266599730 836031518 /nfs/dbraw/zinc/03/15/18/836031518.db2.gz UYCPFIKFYZUUTA-ULQDDVLXSA-N 2 0 346.475 0.237 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001266951182 836516457 /nfs/dbraw/zinc/51/64/57/836516457.db2.gz ZXPNQWXUZRWXEM-OLZOCXBDSA-N 2 0 341.415 0.489 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267071962 836716907 /nfs/dbraw/zinc/71/69/07/836716907.db2.gz ZTMZUZMQAAIOTB-CVEARBPZSA-N 2 0 336.480 0.601 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267071964 836717218 /nfs/dbraw/zinc/71/72/18/836717218.db2.gz ZTMZUZMQAAIOTB-HZPDHXFCSA-N 2 0 336.480 0.601 20 30 ECEDRP C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CNC(=O)CCC[NH+](C)C)C1=O ZINC001267274237 837117180 /nfs/dbraw/zinc/11/71/80/837117180.db2.gz MELYDFYXHSRBBI-HOTGVXAUSA-N 2 0 336.480 0.696 20 30 ECEDRP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267659269 838179249 /nfs/dbraw/zinc/17/92/49/838179249.db2.gz YGGPXTJECKJTMK-JKSUJKDBSA-N 2 0 334.464 0.000 20 30 ECEDRP C#CCNC(=O)[C@@H](C)N1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768673 838508940 /nfs/dbraw/zinc/50/89/40/838508940.db2.gz QNDKZWUTXXYYPU-CVEARBPZSA-N 2 0 348.491 0.531 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001267843489 838641452 /nfs/dbraw/zinc/64/14/52/838641452.db2.gz GJBNNKVDTPMTCQ-OAHLLOKOSA-N 2 0 334.464 0.096 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001267859860 838656790 /nfs/dbraw/zinc/65/67/90/838656790.db2.gz HFTYNGXKPUFUKZ-LJQANCHMSA-N 2 0 348.491 0.342 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001267962318 838876646 /nfs/dbraw/zinc/87/66/46/838876646.db2.gz CDOMUAZJODVLEB-LUKYLMHMSA-N 2 0 348.491 0.435 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267999523 838949504 /nfs/dbraw/zinc/94/95/04/838949504.db2.gz QRWNTWWJTREWMN-GJZGRUSLSA-N 2 0 336.480 0.341 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]Cc2cnc(C)nc2)CC1 ZINC001268015728 838979246 /nfs/dbraw/zinc/97/92/46/838979246.db2.gz RSOUIUOPESFCEI-HNNXBMFYSA-N 2 0 343.475 0.972 20 30 ECEDRP CN(CCC#N)C(=O)CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000092796439 282395607 /nfs/dbraw/zinc/39/56/07/282395607.db2.gz WPRPVUIKVBHYID-QGZVFWFLSA-N 2 0 335.496 0.850 20 30 ECEDRP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352766528 280102119 /nfs/dbraw/zinc/10/21/19/280102119.db2.gz CUVQXXSGXBNOSS-SJLPKXTDSA-N 2 0 337.512 0.999 20 30 ECEDRP C=CCC[C@@H](O)C[NH+]1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000130324782 436835374 /nfs/dbraw/zinc/83/53/74/436835374.db2.gz AAGMIKSVNHFFCC-MRXNPFEDSA-N 2 0 347.463 0.762 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N[C@H]1CCOc2ccccc21 ZINC000262794569 436941805 /nfs/dbraw/zinc/94/18/05/436941805.db2.gz OYGRIKQBBXLQQO-HOCLYGCPSA-N 2 0 331.464 0.921 20 30 ECEDRP COCCNC(=[NH2+])NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000264067313 437014725 /nfs/dbraw/zinc/01/47/25/437014725.db2.gz BWBOXCNKEIARAI-QGZVFWFLSA-N 2 0 333.480 0.916 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1c2ccccc2[nH]c1=O ZINC000267627144 437330533 /nfs/dbraw/zinc/33/05/33/437330533.db2.gz IYOGDYSVQMNCDZ-CYBMUJFWSA-N 2 0 330.436 0.718 20 30 ECEDRP CN1CCO[C@H](C(=O)NC[C@]2(N3CCOCC3)CCSC2)C1 ZINC000329751711 437410108 /nfs/dbraw/zinc/41/01/08/437410108.db2.gz VVOOSGBPRFIGGD-DZGCQCFKSA-N 2 0 329.466 0.481 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000343734641 437640067 /nfs/dbraw/zinc/64/00/67/437640067.db2.gz DANBSMZXFSWSKW-KRWDZBQOSA-N 2 0 348.491 0.886 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C(C)C ZINC000419567687 438362356 /nfs/dbraw/zinc/36/23/56/438362356.db2.gz JACAQASBGJRTKF-HZPDHXFCSA-N 2 0 336.480 0.608 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)C(C)C ZINC000419572126 438363135 /nfs/dbraw/zinc/36/31/35/438363135.db2.gz QFYOFGJSYKIBEJ-CVEARBPZSA-N 2 0 336.480 0.622 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000419731884 438369686 /nfs/dbraw/zinc/36/96/86/438369686.db2.gz RRKKAPHDHUXFHT-MRXNPFEDSA-N 2 0 336.480 0.777 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000419737388 438370111 /nfs/dbraw/zinc/37/01/11/438370111.db2.gz XYGRQFQASXRPAG-HOCLYGCPSA-N 2 0 336.480 0.871 20 30 ECEDRP CN(CCC[NH+]1CCN(C)CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000352784417 438474248 /nfs/dbraw/zinc/47/42/48/438474248.db2.gz OYPLJVULNVUNRZ-KRWDZBQOSA-N 2 0 329.448 0.654 20 30 ECEDRP COCCOCC[N@H+](C)CCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000602094482 439011027 /nfs/dbraw/zinc/01/10/27/439011027.db2.gz ABVTXHWXWNCOOY-UHFFFAOYSA-N 2 0 326.441 0.075 20 30 ECEDRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530233084 439493175 /nfs/dbraw/zinc/49/31/75/439493175.db2.gz OJKHQVIWLULACP-SFHVURJKSA-N 2 0 346.475 0.914 20 30 ECEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000491818417 439457912 /nfs/dbraw/zinc/45/79/12/439457912.db2.gz YMWZUFKOTGCSOJ-UHFFFAOYSA-N 2 0 345.447 0.877 20 30 ECEDRP CN(CCC[NH+](C)C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000595125842 439657431 /nfs/dbraw/zinc/65/74/31/439657431.db2.gz QTKRZRKEOBPYKQ-UHFFFAOYSA-N 2 0 349.410 0.636 20 30 ECEDRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600723177 439694991 /nfs/dbraw/zinc/69/49/91/439694991.db2.gz WHGQYVYCJCHZBV-INIZCTEOSA-N 2 0 329.448 0.978 20 30 ECEDRP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732608 439862670 /nfs/dbraw/zinc/86/26/70/439862670.db2.gz FOHYFIOLDXHIMD-FUHWJXTLSA-N 2 0 336.480 0.207 20 30 ECEDRP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CCC[NH2+]1 ZINC000662732611 439864659 /nfs/dbraw/zinc/86/46/59/439864659.db2.gz FOHYFIOLDXHIMD-WMZOPIPTSA-N 2 0 336.480 0.207 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627386521 440169915 /nfs/dbraw/zinc/16/99/15/440169915.db2.gz QGPXFSVQKABRKA-HDICACEKSA-N 2 0 334.464 0.211 20 30 ECEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335164 441015546 /nfs/dbraw/zinc/01/55/46/441015546.db2.gz GJPMKQHMEWRQMF-LSDHHAIUSA-N 2 0 346.479 0.689 20 30 ECEDRP C=C(CNC(=O)[C@H]1CCCC[NH+]1C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000620747679 546450355 /nfs/dbraw/zinc/45/03/55/546450355.db2.gz FIFULRWLGFMDMJ-HZPDHXFCSA-N 2 0 336.480 0.744 20 30 ECEDRP C=C(CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000620747519 546450511 /nfs/dbraw/zinc/45/05/11/546450511.db2.gz BGZPGEZMEKPDCG-KLHDSHLOSA-N 2 0 336.480 0.455 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000672310006 548306462 /nfs/dbraw/zinc/30/64/62/548306462.db2.gz CHBKPNVVRPYKIT-KRWDZBQOSA-N 2 0 348.491 0.744 20 30 ECEDRP C[NH+]1CCCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000681340091 549249879 /nfs/dbraw/zinc/24/98/79/549249879.db2.gz XYGNEIKMIUWCLG-HZPDHXFCSA-N 2 0 334.464 0.191 20 30 ECEDRP C#C[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[C@@H]1CCCO1 ZINC000776232977 579278361 /nfs/dbraw/zinc/27/83/61/579278361.db2.gz UUOCCRAZKSPHTD-IRXDYDNUSA-N 2 0 336.480 0.835 20 30 ECEDRP C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)C(=C)C[NH+](C)C)CC(C)C1 ZINC000837049537 588940987 /nfs/dbraw/zinc/94/09/87/588940987.db2.gz JNDUAFLJQJRVLO-UHFFFAOYSA-N 2 0 336.480 0.529 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510498 586781104 /nfs/dbraw/zinc/78/11/04/586781104.db2.gz QZYPXCFDHBSECF-CWRNSKLLSA-N 2 0 349.479 0.287 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1-c1ccncc1 ZINC000815860989 587300565 /nfs/dbraw/zinc/30/05/65/587300565.db2.gz LLHZSEVAFFRBFG-UHFFFAOYSA-N 2 0 340.387 0.277 20 30 ECEDRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)c2)CC1 ZINC000844194939 589102289 /nfs/dbraw/zinc/10/22/89/589102289.db2.gz OFSNRURGRGPHAL-SJORKVTESA-N 2 0 327.432 0.275 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846166796 589189832 /nfs/dbraw/zinc/18/98/32/589189832.db2.gz CUWHQPIKDZYCIJ-GVDBMIGSSA-N 2 0 336.480 0.869 20 30 ECEDRP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876849261 590419289 /nfs/dbraw/zinc/41/92/89/590419289.db2.gz XRNOIVAPKJNIDG-AEFFLSMTSA-N 2 0 339.443 0.251 20 30 ECEDRP [NH3+]Cc1cn(-c2cccc(CNC(=O)C#CC3CC[NH2+]CC3)c2)nn1 ZINC000877206375 590444588 /nfs/dbraw/zinc/44/45/88/590444588.db2.gz GZUGAJYBQCMBBO-UHFFFAOYSA-N 2 0 338.415 0.345 20 30 ECEDRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884305228 590799928 /nfs/dbraw/zinc/79/99/28/590799928.db2.gz OXSVOSBZWKXVID-HFCFLWKCSA-N 3 0 349.523 0.858 20 30 ECEDRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884309598 590801955 /nfs/dbraw/zinc/80/19/55/590801955.db2.gz ZKMQVGSKTRFEJU-BNQMIIOLSA-N 2 0 334.464 0.695 20 30 ECEDRP C=CCOC(=O)[C@@H](N)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000884328622 590806421 /nfs/dbraw/zinc/80/64/21/590806421.db2.gz UQGJTGQKAGWVJV-VNQPRFMTSA-N 2 0 335.448 0.908 20 30 ECEDRP C=C1[C@H](C(=O)NC(C)(C)C[NH+](C)C)[C@@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000909559710 608918478 /nfs/dbraw/zinc/91/84/78/608918478.db2.gz KDSXVSCIBIZQTH-OKILXGFUSA-N 2 0 338.496 0.701 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC000938293095 609771977 /nfs/dbraw/zinc/77/19/77/609771977.db2.gz NBUMWWJATNIYKJ-HOTGVXAUSA-N 2 0 343.431 0.006 20 30 ECEDRP C#CCN(C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)C1CC[NH+](C)CC1 ZINC000910882508 609772857 /nfs/dbraw/zinc/77/28/57/609772857.db2.gz GKXMRIDCNHKJKE-INIZCTEOSA-N 2 0 348.491 0.531 20 30 ECEDRP C#CCN(C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)C1CC[NH+](C)CC1 ZINC000910882510 609772882 /nfs/dbraw/zinc/77/28/82/609772882.db2.gz GKXMRIDCNHKJKE-MRXNPFEDSA-N 2 0 348.491 0.531 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C(C)C ZINC000911204270 609824552 /nfs/dbraw/zinc/82/45/52/609824552.db2.gz ZNFUSBBAIIFHIK-YYIAUSFCSA-N 2 0 348.491 0.810 20 30 ECEDRP C=C1[C@H](C(=O)NCC[C@H](C)[NH+](C)C)[C@H]1C(=O)NCC[C@H](C)[NH+](C)C ZINC000912394549 609953591 /nfs/dbraw/zinc/95/35/91/609953591.db2.gz TVSWJELAEVNDDA-SDADXPQNSA-N 2 0 338.496 0.701 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)O)CC2(C)C)CC1 ZINC000941239452 610623463 /nfs/dbraw/zinc/62/34/63/610623463.db2.gz OLIJPIQEPCNHLI-NVXWUHKLSA-N 2 0 335.492 0.929 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C[C@@H]2C)CC1 ZINC000945184738 610938471 /nfs/dbraw/zinc/93/84/71/610938471.db2.gz XMIUPIZBJJPYGI-RDJZCZTQSA-N 2 0 348.491 0.246 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000921528122 611246860 /nfs/dbraw/zinc/24/68/60/611246860.db2.gz SYWYOHVBTXVAKF-QZTJIDSGSA-N 2 0 348.491 0.761 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000950432140 612016696 /nfs/dbraw/zinc/01/66/96/612016696.db2.gz MXTMEQIMWGAEHU-DLBZAZTESA-N 2 0 346.475 0.000 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2CC[C@H]2CCOC2)CC1 ZINC001039042884 731979311 /nfs/dbraw/zinc/97/93/11/731979311.db2.gz YKLOXIHRHLIASB-FUHWJXTLSA-N 2 0 333.476 0.949 20 30 ECEDRP C=CCOCC[NH+](CCO)C1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001098524327 732048621 /nfs/dbraw/zinc/04/86/21/732048621.db2.gz HRZSCCHFFUPSRN-UHFFFAOYSA-N 2 0 341.496 0.816 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCn3cncn3)C2)CC1 ZINC000970922404 734091312 /nfs/dbraw/zinc/09/13/12/734091312.db2.gz XFVOHGBASPJXDI-OAHLLOKOSA-N 2 0 344.463 0.060 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCC(OC(C)(C)C)CC1 ZINC000261705382 734275368 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325.457 0.011 20 30 ECEDRP C#CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001088350311 748871922 /nfs/dbraw/zinc/87/19/22/748871922.db2.gz UJJFGNNXEDUVGL-VIHIWDAPSA-N 2 0 331.460 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CC(N)=O)C[C@H]3C2)CC1 ZINC000980254143 749260739 /nfs/dbraw/zinc/26/07/39/749260739.db2.gz MRUSXDCFXRDYGD-BRWVUGGUSA-N 2 0 346.475 0.034 20 30 ECEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(c2ccc(F)cc2)CC1 ZINC000262784362 749748482 /nfs/dbraw/zinc/74/84/82/749748482.db2.gz MEQGWIIZMQYXCN-QGZVFWFLSA-N 2 0 346.454 0.262 20 30 ECEDRP C#CCC[NH+]1CCCC2(CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC000981783757 751103669 /nfs/dbraw/zinc/10/36/69/751103669.db2.gz DOMFJXBNWRBAFW-IAGOWNOFSA-N 2 0 331.460 0.797 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001006314505 751233837 /nfs/dbraw/zinc/23/38/37/751233837.db2.gz LNNCJTXJHVMJKZ-XIRDDKMYSA-N 2 0 348.491 0.387 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001168297617 754052847 /nfs/dbraw/zinc/05/28/47/754052847.db2.gz URUBQJKMMDGVKF-UHFFFAOYSA-N 2 0 348.491 0.488 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC(=O)N3CCC3)C[C@H]2C)CC1 ZINC000989828175 754496484 /nfs/dbraw/zinc/49/64/84/754496484.db2.gz ARQHNDBGODVQCS-WBVHZDCISA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnnn3C)C[C@@H]2C)CC1 ZINC000989828468 754497503 /nfs/dbraw/zinc/49/75/03/754497503.db2.gz DHSIEEQEPXXURU-GOEBONIOSA-N 2 0 344.463 0.239 20 30 ECEDRP C[NH+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261866664 754702172 /nfs/dbraw/zinc/70/21/72/754702172.db2.gz ZCVGDDLLPKIAHC-DLBZAZTESA-N 2 0 349.523 0.700 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001168345316 754763243 /nfs/dbraw/zinc/76/32/43/754763243.db2.gz PDZSVBPUNFCFQB-OAHLLOKOSA-N 2 0 338.496 0.893 20 30 ECEDRP C#CC[N@@H+]1CC[C@]2(NC(=O)c3ccn(CC[NH+](C)C)n3)CCC[C@H]12 ZINC000990737004 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C#CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001016740839 766827195 /nfs/dbraw/zinc/82/71/95/766827195.db2.gz PKBQQTXOVWFOBB-MUZJZNNISA-N 2 0 343.471 0.844 20 30 ECEDRP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069759 766870709 /nfs/dbraw/zinc/87/07/09/766870709.db2.gz IOIUYCMQYAIACR-LJQANCHMSA-N 2 0 346.519 0.960 20 30 ECEDRP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001106139036 767017301 /nfs/dbraw/zinc/01/73/01/767017301.db2.gz JTGYOOQQJCJUBW-OIISXLGYSA-N 2 0 348.491 0.315 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](C[C@@H](C)O)CC3)CC1 ZINC001016984100 767437994 /nfs/dbraw/zinc/43/79/94/767437994.db2.gz CQHLDPGALBYPRA-WBVHZDCISA-N 2 0 333.476 0.683 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](CCCO)CC3)CC1 ZINC001016985071 767439175 /nfs/dbraw/zinc/43/91/75/767439175.db2.gz JDVGGVWPWYOGGK-KRWDZBQOSA-N 2 0 333.476 0.685 20 30 ECEDRP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 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OZGCDJQWCYJBBA-APWZRJJASA-N 2 0 348.491 0.744 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070533919 784239529 /nfs/dbraw/zinc/23/95/29/784239529.db2.gz XSNGNJAVEALPKO-YQQAZPJKSA-N 2 0 329.448 0.422 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C[C@H]1c1cncn1C ZINC001070645152 784490031 /nfs/dbraw/zinc/49/00/31/784490031.db2.gz LWIHPGGHSRKJPE-BRWVUGGUSA-N 2 0 343.475 0.810 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C[C@H]1c1cncn1C ZINC001070654196 784504409 /nfs/dbraw/zinc/50/44/09/784504409.db2.gz ANBKOFQINAWYKP-ZACQAIPSSA-N 2 0 343.475 0.812 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C2)CC1 ZINC001072275954 785948794 /nfs/dbraw/zinc/94/87/94/785948794.db2.gz PUWOCYDKWSQANJ-NVXWUHKLSA-N 2 0 348.491 0.246 20 30 ECEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001073816161 787251810 /nfs/dbraw/zinc/25/18/10/787251810.db2.gz WGNBXVGTMQPGGJ-INIZCTEOSA-N 2 0 335.452 0.451 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)C4)C3)C2)C1=O ZINC001073425531 789820936 /nfs/dbraw/zinc/82/09/36/789820936.db2.gz AANLQTBSYKUJPI-HZPDHXFCSA-N 2 0 346.475 0.259 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](C[C@@H](C)OC)C3)CC1 ZINC001073455159 789862716 /nfs/dbraw/zinc/86/27/16/789862716.db2.gz ABBRVHHXNAHJNE-MRXNPFEDSA-N 2 0 333.476 0.901 20 30 ECEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569385 837794720 /nfs/dbraw/zinc/79/47/20/837794720.db2.gz UHSPCXJAQBPGKV-HOTGVXAUSA-N 2 0 346.475 0.048 20 30 ECEDRP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001266551094 835975650 /nfs/dbraw/zinc/97/56/50/835975650.db2.gz LEUJMNJISKNRDW-HOTGVXAUSA-N 2 0 336.480 0.601 20 30 ECEDRP C=C(C)CN(CC)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266703855 836170397 /nfs/dbraw/zinc/17/03/97/836170397.db2.gz OJYGQPJZUGLPPG-HZPDHXFCSA-N 2 0 338.496 0.799 20 30 ECEDRP C=CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267593580 837893465 /nfs/dbraw/zinc/89/34/65/837893465.db2.gz NVDVHYJJXVYMKL-CVEARBPZSA-N 2 0 336.480 0.411 20 30 ECEDRP C#CCNC(=O)[C@H](C)N1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267767716 838505648 /nfs/dbraw/zinc/50/56/48/838505648.db2.gz QWJYHRGAOZKGRK-GOEBONIOSA-N 2 0 334.464 0.141 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CCn2ccnc2)C1=O ZINC001268078090 839273519 /nfs/dbraw/zinc/27/35/19/839273519.db2.gz ULOVKGIZBSNDIR-HUUCEWRRSA-N 2 0 333.436 0.497 20 30 ECEDRP COC[C@H](C)NC(=[NH2+])NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000304807902 293017641 /nfs/dbraw/zinc/01/76/41/293017641.db2.gz UCZRCVCZDFSLMB-HNNXBMFYSA-N 2 0 325.501 0.876 20 30 ECEDRP C[NH+](C)CCNC(=O)C1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 ZINC000195519156 436692466 /nfs/dbraw/zinc/69/24/66/436692466.db2.gz DZPHFIYHPGPHRZ-GOSISDBHSA-N 2 0 349.479 0.185 20 30 ECEDRP C[NH+]=C(NCCc1nc(C)c(C)s1)NC[C@H]1C[N@H+](C)CCN1C ZINC000261818788 436890306 /nfs/dbraw/zinc/89/03/06/436890306.db2.gz UFIRDRRBYPEYKG-AWEZNQCLSA-N 2 0 338.525 0.713 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1cccc(OC)c1 ZINC000264149372 437018327 /nfs/dbraw/zinc/01/83/27/437018327.db2.gz YSDGOMGYWGIYMJ-HNNXBMFYSA-N 2 0 347.463 0.814 20 30 ECEDRP CN(CCN(C)S(=O)(=O)c1ccc(C#N)o1)C1CC[NH+](C)CC1 ZINC000286771160 437128202 /nfs/dbraw/zinc/12/82/02/437128202.db2.gz WJEYNKDZHOPSDF-UHFFFAOYSA-N 2 0 340.449 0.798 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000340831186 437748683 /nfs/dbraw/zinc/74/86/83/437748683.db2.gz SYUKZGNKBPDORA-SJORKVTESA-N 2 0 348.491 0.886 20 30 ECEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000424191730 437901442 /nfs/dbraw/zinc/90/14/42/437901442.db2.gz HWHJYFARWABXKL-HNNXBMFYSA-N 2 0 345.447 0.930 20 30 ECEDRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCN(C)[C@@H](C#N)C3)C2)CC1 ZINC000372224071 438052526 /nfs/dbraw/zinc/05/25/26/438052526.db2.gz WDPICRVXKZJABI-ZBFHGGJFSA-N 2 0 334.468 0.004 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000377575451 438312806 /nfs/dbraw/zinc/31/28/06/438312806.db2.gz PAGBGXWLZIWHEF-IRXDYDNUSA-N 2 0 336.480 0.877 20 30 ECEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(CC#N)CC1 ZINC000451412529 438698932 /nfs/dbraw/zinc/69/89/32/438698932.db2.gz WYXVFKZVXRXWDU-UHFFFAOYSA-N 2 0 342.509 0.968 20 30 ECEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000578006805 438887784 /nfs/dbraw/zinc/88/77/84/438887784.db2.gz UEWGHRBRFJDOFJ-FGTMMUONSA-N 2 0 338.496 0.550 20 30 ECEDRP CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000567681669 439165291 /nfs/dbraw/zinc/16/52/91/439165291.db2.gz YJAGWOAVFVYLIE-QGZVFWFLSA-N 2 0 346.479 0.129 20 30 ECEDRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cnc4c(C#N)cnn4c3)C2)CC1 ZINC000592504916 439242364 /nfs/dbraw/zinc/24/23/64/439242364.db2.gz DENHBOVQYTVCIX-MRXNPFEDSA-N 2 0 339.447 0.859 20 30 ECEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000491743998 439439521 /nfs/dbraw/zinc/43/95/21/439439521.db2.gz NFRULUZUYFHGCB-QGZVFWFLSA-N 2 0 337.512 0.514 20 30 ECEDRP C=CC[C@@]1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCC[NH2+]1 ZINC000662774267 439884098 /nfs/dbraw/zinc/88/40/98/439884098.db2.gz QCZRGWKGIDBHCJ-JSGCOSHPSA-N 2 0 334.386 0.637 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCc2ccccc2C[NH2+]C)CC1 ZINC000652692560 439922743 /nfs/dbraw/zinc/92/27/43/439922743.db2.gz XTMVULNOFDMOES-UHFFFAOYSA-N 2 0 344.459 0.789 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000627371657 440159849 /nfs/dbraw/zinc/15/98/49/440159849.db2.gz MZVKJPFMFBOUFO-XHSDSOJGSA-N 2 0 336.480 0.668 20 30 ECEDRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000561327579 322259329 /nfs/dbraw/zinc/25/93/29/322259329.db2.gz VDSFYUYBCBOJKK-HNNXBMFYSA-N 2 0 341.463 0.964 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000668835452 547762367 /nfs/dbraw/zinc/76/23/67/547762367.db2.gz ATPUWBHMCWGFIK-INIZCTEOSA-N 2 0 336.480 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332.492 0.713 20 30 ECEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)C1 ZINC001046064359 766845177 /nfs/dbraw/zinc/84/51/77/766845177.db2.gz LMWXOFJDAYOZCC-ZWKOTPCHSA-N 2 0 332.492 0.713 20 30 ECEDRP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077087 766906946 /nfs/dbraw/zinc/90/69/46/766906946.db2.gz RRJNJXAFZBJHGE-QGZVFWFLSA-N 2 0 332.492 0.877 20 30 ECEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001127260295 766924802 /nfs/dbraw/zinc/92/48/02/766924802.db2.gz AYIPGNWUCBUKRN-DLBZAZTESA-N 2 0 348.491 0.767 20 30 ECEDRP C[C@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001055632543 769308717 /nfs/dbraw/zinc/30/87/17/769308717.db2.gz XTCJMVVRILZCGB-CQSZACIVSA-N 2 0 349.479 0.185 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000993855926 769765805 /nfs/dbraw/zinc/76/58/05/769765805.db2.gz WAZQCZQZILKJJJ-HNNXBMFYSA-N 2 0 346.475 0.000 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001106885141 770535207 /nfs/dbraw/zinc/53/52/07/770535207.db2.gz UCZDZVHYAOBSFN-OWCLPIDISA-N 2 0 348.491 0.457 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H]3CCCN(C)C3=O)C2)CC1 ZINC001019814039 771829294 /nfs/dbraw/zinc/82/92/94/771829294.db2.gz QYOUGDOPWZKVIT-IRXDYDNUSA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC001019815527 771831119 /nfs/dbraw/zinc/83/11/19/771831119.db2.gz IHWPONZGBMYPIE-SFHVURJKSA-N 2 0 343.475 0.498 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001020250694 772350421 /nfs/dbraw/zinc/35/04/21/772350421.db2.gz LMLXUCGERRIVDV-QAETUUGQSA-N 2 0 346.475 0.237 20 30 ECEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001077708569 781558580 /nfs/dbraw/zinc/55/85/80/781558580.db2.gz MNARHEOKYFAMNV-FCGDIQPGSA-N 2 0 341.455 0.516 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001070224140 783693329 /nfs/dbraw/zinc/69/33/29/783693329.db2.gz PKLYFBUOKGZMOV-IKGGRYGDSA-N 2 0 344.463 0.373 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001070494742 784188996 /nfs/dbraw/zinc/18/89/96/784188996.db2.gz GKSFPONOIMIOFN-PNBKFKSVSA-N 2 0 331.464 0.830 20 30 ECEDRP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001070964628 784249492 /nfs/dbraw/zinc/24/94/92/784249492.db2.gz RYOLYACTPIJIFY-HZPDHXFCSA-N 2 0 336.480 0.553 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1c1cn(C)cn1 ZINC001070549322 784258487 /nfs/dbraw/zinc/25/84/87/784258487.db2.gz XHURUSDEKOQEDC-FUHWJXTLSA-N 2 0 343.475 0.669 20 30 ECEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CCc2cncn2C)CC1 ZINC001071100974 784539357 /nfs/dbraw/zinc/53/93/57/784539357.db2.gz KCLJBBZNJBRHDF-MJGOQNOKSA-N 2 0 344.459 0.972 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1c1cncn1C ZINC001070689624 784556345 /nfs/dbraw/zinc/55/63/45/784556345.db2.gz IAZLTZNWJOXZII-ARFHVFGLSA-N 2 0 331.464 0.832 20 30 ECEDRP C#CCC[N@H+]1CC[C@@]2(C1)CN(C(=O)C13CC[NH+](CC1)C3)C[C@@H](C)O2 ZINC001071227873 784786168 /nfs/dbraw/zinc/78/61/68/784786168.db2.gz LIOOYOYHCHEKKD-VQIMIIECSA-N 2 0 331.460 0.797 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)CC1 ZINC001072680501 788582301 /nfs/dbraw/zinc/58/23/01/788582301.db2.gz WLYRRZJETBDZPD-WBVHZDCISA-N 2 0 348.491 0.246 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H]3CCOC3)[C@@H]2C)CC1 ZINC001075128885 788947442 /nfs/dbraw/zinc/94/74/42/788947442.db2.gz BMDZCCRLPPBKJA-JZXOWHBKSA-N 2 0 333.476 0.947 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)C[NH+]4CCCC4)C3)C2)C1=O ZINC001073430587 789832398 /nfs/dbraw/zinc/83/23/98/789832398.db2.gz IMSBJWVOMKTJAQ-MRXNPFEDSA-N 2 0 346.475 0.403 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]([NH2+][C@H]2CCN(C)C2=O)C2CC2)CC1 ZINC001266444764 835848313 /nfs/dbraw/zinc/84/83/13/835848313.db2.gz DQIHCDSDUUQNBR-IRXDYDNUSA-N 2 0 346.475 0.047 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC ZINC001266880529 836427542 /nfs/dbraw/zinc/42/75/42/836427542.db2.gz LIWMBWWLBCEUPP-HZPDHXFCSA-N 2 0 336.480 0.437 20 30 ECEDRP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H](C(C)C)[NH+](C)C)C1=O ZINC001266903239 836458378 /nfs/dbraw/zinc/45/83/78/836458378.db2.gz NAJPVOBEXUWABX-DMRKSPOLSA-N 2 0 348.491 0.406 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+][C@H](C)C(=O)NCC=C)C2)CC1 ZINC001267026513 836645663 /nfs/dbraw/zinc/64/56/63/836645663.db2.gz OXUNBBRAGVHOLT-WBVHZDCISA-N 2 0 346.475 0.213 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001267872691 838668514 /nfs/dbraw/zinc/66/85/14/838668514.db2.gz PSYGAGXCIWXVCQ-VQIMIIECSA-N 2 0 348.491 0.486 20 30 ECEDRP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC(=O)NCC#N)CC1 ZINC001267920628 838795797 /nfs/dbraw/zinc/79/57/97/838795797.db2.gz ASLDNHDFLVVENE-UHFFFAOYSA-N 2 0 337.468 0.185 20 30 ECEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000103338608 436554140 /nfs/dbraw/zinc/55/41/40/436554140.db2.gz HCSKFSYOILTROP-OAHLLOKOSA-N 2 0 333.480 0.778 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000130548993 436838220 /nfs/dbraw/zinc/83/82/20/436838220.db2.gz WKRCYJVRANQVMT-UHFFFAOYSA-N 2 0 349.410 0.588 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1cc(Cl)cn1C ZINC000261962389 436898828 /nfs/dbraw/zinc/89/88/28/436898828.db2.gz KPPUERDQUSYVMT-OAHLLOKOSA-N 2 0 338.887 0.686 20 30 ECEDRP C#CC[N@@H+](C)CCCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000296386498 436990646 /nfs/dbraw/zinc/99/06/46/436990646.db2.gz GAYUBGQLOMYIFR-UHFFFAOYSA-N 2 0 347.463 0.776 20 30 ECEDRP [NH2+]=C(NCCC[NH+]1CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000264063567 437015177 /nfs/dbraw/zinc/01/51/77/437015177.db2.gz DKYUAQIQERCYLX-UHFFFAOYSA-N 2 0 331.468 0.789 20 30 ECEDRP C[NH+](C)C1(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CCOCC1 ZINC000267447749 437327526 /nfs/dbraw/zinc/32/75/26/437327526.db2.gz QNJUJNUBKWGKLK-UHFFFAOYSA-N 2 0 347.467 0.024 20 30 ECEDRP C[C@H](C#N)CN(C)S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000330375135 437495033 /nfs/dbraw/zinc/49/50/33/437495033.db2.gz NPHWOWPBFKXISS-CQSZACIVSA-N 2 0 345.513 0.280 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CCC)C2)CC1 ZINC000343735971 437640042 /nfs/dbraw/zinc/64/00/42/437640042.db2.gz HCWIKBMVURWCAW-OAHLLOKOSA-N 2 0 336.480 0.601 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000343734642 437641083 /nfs/dbraw/zinc/64/10/83/437641083.db2.gz DANBSMZXFSWSKW-QGZVFWFLSA-N 2 0 348.491 0.886 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000343769159 437650822 /nfs/dbraw/zinc/65/08/22/437650822.db2.gz SGSAIYXAZMBKQL-INIZCTEOSA-N 2 0 348.491 0.886 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000343902184 437689047 /nfs/dbraw/zinc/68/90/47/437689047.db2.gz BOTZOZLOEYDHCB-HOCLYGCPSA-N 2 0 348.491 0.885 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343898553 437687450 /nfs/dbraw/zinc/68/74/50/437687450.db2.gz ZNFJSOBQOAVNAF-ZBFHGGJFSA-N 2 0 336.480 0.742 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000343928548 437701307 /nfs/dbraw/zinc/70/13/07/437701307.db2.gz VUWYQUVDYPXVFY-DOTOQJQBSA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181163 438199996 /nfs/dbraw/zinc/19/99/96/438199996.db2.gz LCPDKTUOAPGURH-CABCVRRESA-N 2 0 340.468 0.819 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000377751912 438326709 /nfs/dbraw/zinc/32/67/09/438326709.db2.gz YRCJPXVPUCLTSO-GOSISDBHSA-N 2 0 332.492 0.570 20 30 ECEDRP CN(CCC#N)C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000578006808 438887615 /nfs/dbraw/zinc/88/76/15/438887615.db2.gz UEWGHRBRFJDOFJ-SQNIBIBYSA-N 2 0 338.496 0.550 20 30 ECEDRP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000518172002 438989962 /nfs/dbraw/zinc/98/99/62/438989962.db2.gz LPGPGOIECNMUQW-RTBURBONSA-N 2 0 346.475 0.549 20 30 ECEDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cn2)CC1 ZINC000581723739 439247289 /nfs/dbraw/zinc/24/72/89/439247289.db2.gz UKGXTQNKEYPBCZ-INIZCTEOSA-N 2 0 344.463 0.861 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000570147680 439395217 /nfs/dbraw/zinc/39/52/17/439395217.db2.gz HQOJRYKHRDFBML-IBGZPJMESA-N 2 0 348.491 0.745 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000491678554 439426545 /nfs/dbraw/zinc/42/65/45/439426545.db2.gz BQOMWDXEQFQALR-UHFFFAOYSA-N 2 0 336.480 0.886 20 30 ECEDRP C[NH+](C)CC[C@H](N)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593918291 439493701 /nfs/dbraw/zinc/49/37/01/439493701.db2.gz DCZFFIHYQQUFLP-SFHVURJKSA-N 2 0 343.475 0.918 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600765771 439701328 /nfs/dbraw/zinc/70/13/28/439701328.db2.gz MXCWORMRDKZMGT-ZFWWWQNUSA-N 2 0 338.452 0.477 20 30 ECEDRP CC(C)[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N1CC[NH+](C)CC1 ZINC000574685106 439719789 /nfs/dbraw/zinc/71/97/89/439719789.db2.gz ZAPUDBCLYSOVMG-IRXDYDNUSA-N 2 0 325.501 0.054 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668836248 547762838 /nfs/dbraw/zinc/76/28/38/547762838.db2.gz UOLXOYLAAYUSPB-OAHLLOKOSA-N 2 0 336.480 0.742 20 30 ECEDRP C#CC[C@H]1CCCN(C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000843245298 589055352 /nfs/dbraw/zinc/05/53/52/589055352.db2.gz AGMWSGYKVKBONU-INIZCTEOSA-N 2 0 336.480 0.200 20 30 ECEDRP C=C1[C@H](C(=O)N2CCC[NH+](C)CC2)[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000899935883 586513935 /nfs/dbraw/zinc/51/39/35/586513935.db2.gz SFFRIZXWLSKJJF-HOTGVXAUSA-N 2 0 334.464 0.117 20 30 ECEDRP C=CCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903722287 586801773 /nfs/dbraw/zinc/80/17/73/586801773.db2.gz KDCPLWWHFAVUAF-HUUCEWRRSA-N 2 0 328.478 0.820 20 30 ECEDRP N#Cc1ccc([C@H](O)C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000819003256 587464115 /nfs/dbraw/zinc/46/41/15/587464115.db2.gz CNTGEUIPBONTPH-DLBZAZTESA-N 2 0 330.432 0.769 20 30 ECEDRP C#CCN1CCN(C(=O)CN(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214254 589808175 /nfs/dbraw/zinc/80/81/75/589808175.db2.gz HBVYOFWKZIXEGP-UHFFFAOYSA-N 2 0 342.487 0.957 20 30 ECEDRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000863750221 590033665 /nfs/dbraw/zinc/03/36/65/590033665.db2.gz AHSWVTRBOCDGTA-CQSZACIVSA-N 2 0 345.447 0.254 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1 ZINC000875182716 590279147 /nfs/dbraw/zinc/27/91/47/590279147.db2.gz WNLMRPXTEXNBNG-GOEBONIOSA-N 2 0 334.464 0.306 20 30 ECEDRP C#CCN1CCN(C(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC000879248661 590574066 /nfs/dbraw/zinc/57/40/66/590574066.db2.gz WQIOVEQCWJIADQ-UHFFFAOYSA-N 2 0 332.492 0.572 20 30 ECEDRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886059849 590789110 /nfs/dbraw/zinc/78/91/10/590789110.db2.gz MSQKSCSMYUFYTB-MRXNPFEDSA-N 2 0 336.480 0.821 20 30 ECEDRP COCCN(CC1CC[NH+](C)CC1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884450808 590832499 /nfs/dbraw/zinc/83/24/99/590832499.db2.gz UHUUIJIAFHWWJM-HFCFLWKCSA-N 2 0 348.491 0.943 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000926180947 611523593 /nfs/dbraw/zinc/52/35/93/611523593.db2.gz SONUGVFVSXWKNV-XSYGEPLQSA-N 2 0 347.503 0.928 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000937756049 609060682 /nfs/dbraw/zinc/06/06/82/609060682.db2.gz MLAJVGQMBWDRPZ-IRXDYDNUSA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CC4CC4)C3)CC2)CC1 ZINC000941676925 610449482 /nfs/dbraw/zinc/44/94/82/610449482.db2.gz ICJAIWBIYZGLPH-UHFFFAOYSA-N 2 0 344.503 0.570 20 30 ECEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC[C@@H]2C1 ZINC000946815473 611169825 /nfs/dbraw/zinc/16/98/25/611169825.db2.gz AAOMIICKVUHLHS-CALCHBBNSA-N 2 0 343.475 0.862 20 30 ECEDRP C#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946894762 611236246 /nfs/dbraw/zinc/23/62/46/611236246.db2.gz GSEWACUBPCRZMS-OKZBNKHCSA-N 2 0 333.476 0.758 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000921668900 611293324 /nfs/dbraw/zinc/29/33/24/611293324.db2.gz ZIWKVRDPYUPGIR-UHFFFAOYSA-N 2 0 335.496 0.409 20 30 ECEDRP C#CCN(C(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000929399866 611751210 /nfs/dbraw/zinc/75/12/10/611751210.db2.gz WKHQYKYRWQERHH-MRXNPFEDSA-N 2 0 348.491 0.391 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000950431708 612016640 /nfs/dbraw/zinc/01/66/40/612016640.db2.gz IBQDIXOWASBZPY-IRXDYDNUSA-N 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C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001098766754 764564447 /nfs/dbraw/zinc/56/44/47/764564447.db2.gz GRBKBTUNSOOIOB-DOTOQJQBSA-N 2 0 344.463 0.506 20 30 ECEDRP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)nn1 ZINC001098773833 764903461 /nfs/dbraw/zinc/90/34/61/764903461.db2.gz JBNKYIMYMIXJKD-QGZVFWFLSA-N 2 0 346.479 0.896 20 30 ECEDRP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)CC[N@@H+](C)CCC)C2)nn1 ZINC001098774126 764934771 /nfs/dbraw/zinc/93/47/71/764934771.db2.gz NSFLQLMJCFFNGT-QGZVFWFLSA-N 2 0 346.479 0.896 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC001046043202 766760175 /nfs/dbraw/zinc/76/01/75/766760175.db2.gz YAVTVJTZCFLBHF-SFHVURJKSA-N 2 0 344.503 0.857 20 30 ECEDRP C#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001016741452 766829326 /nfs/dbraw/zinc/82/93/26/766829326.db2.gz XABQLGOFBCYVAE-BWRBCVJASA-N 2 0 329.444 0.454 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN([C@H]3CC[N@@H+](CC=C)C3)CC2)CC1 ZINC001046085069 766925929 /nfs/dbraw/zinc/92/59/29/766925929.db2.gz DPHAZYVAHQPSGJ-IBGZPJMESA-N 2 0 344.503 0.736 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC001106907976 767104979 /nfs/dbraw/zinc/10/49/79/767104979.db2.gz KMZZGXXAAYWMJS-BZUAXINKSA-N 2 0 338.496 0.703 20 30 ECEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)C[C@H]1C ZINC001106145545 767343595 /nfs/dbraw/zinc/34/35/95/767343595.db2.gz ALBCODPTYPDVFK-HZPDHXFCSA-N 2 0 331.464 0.766 20 30 ECEDRP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001055625877 769290809 /nfs/dbraw/zinc/29/08/09/769290809.db2.gz LJXFNNAIZTZATC-CQSZACIVSA-N 2 0 349.479 0.185 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001019325268 771158656 /nfs/dbraw/zinc/15/86/56/771158656.db2.gz RRVIHHAWQPYTLM-JKSUJKDBSA-N 2 0 334.464 0.306 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3cnon3)C[C@H]2C)CC1 ZINC001044870866 774693817 /nfs/dbraw/zinc/69/38/17/774693817.db2.gz HBIVOWPFHFWZGT-ZBFHGGJFSA-N 2 0 345.447 0.884 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]Cc2ccnn2C)CC1 ZINC001045321358 775409053 /nfs/dbraw/zinc/40/90/53/775409053.db2.gz MOKYBKVYMZTBMW-SFHVURJKSA-N 2 0 343.475 0.846 20 30 ECEDRP C#CC[NH+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]3COC[C@@H]32)CC1 ZINC001079260589 780932312 /nfs/dbraw/zinc/93/23/12/780932312.db2.gz DFEVBFISSDHULZ-YESZJQIVSA-N 2 0 333.476 0.899 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1n1ccnn1 ZINC001070216425 783676430 /nfs/dbraw/zinc/67/64/30/783676430.db2.gz QVHHLMGNXHIMEA-CVEARBPZSA-N 2 0 342.447 0.129 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1n1ccnn1 ZINC001070288116 783794021 /nfs/dbraw/zinc/79/40/21/783794021.db2.gz ANGGKZJEOPBXNR-ZACQAIPSSA-N 2 0 344.463 0.517 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1n1ccnn1 ZINC001070301352 783805961 /nfs/dbraw/zinc/80/59/61/783805961.db2.gz YAZAIFQCUOUDKO-CVEARBPZSA-N 2 0 332.452 0.538 20 30 ECEDRP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071098336 784538514 /nfs/dbraw/zinc/53/85/14/784538514.db2.gz JZCIGTSQTVVSRA-SUMDDJOVSA-N 2 0 333.476 0.947 20 30 ECEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001073603970 786755236 /nfs/dbraw/zinc/75/52/36/786755236.db2.gz SWBVYMLKHVDVTQ-MRXNPFEDSA-N 2 0 349.479 0.842 20 30 ECEDRP C=C(C)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073700393 787000760 /nfs/dbraw/zinc/00/07/60/787000760.db2.gz KTTOKGGWJDXERA-VZDIDWBNSA-N 2 0 349.475 0.633 20 30 ECEDRP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001073709872 787019229 /nfs/dbraw/zinc/01/92/29/787019229.db2.gz KRLXDWKZPLKSJE-ISXWCOSWSA-N 2 0 347.459 0.080 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H]3CCOC3)[C@@H]2C)CC1 ZINC001075128884 788947276 /nfs/dbraw/zinc/94/72/76/788947276.db2.gz BMDZCCRLPPBKJA-BQFCYCMXSA-N 2 0 333.476 0.947 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+]([C@H](C)COC)C3)CC1 ZINC001073457214 789864146 /nfs/dbraw/zinc/86/41/46/789864146.db2.gz GGMJYXRXMPWDPD-MRXNPFEDSA-N 2 0 333.476 0.901 20 30 ECEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267531319 837703864 /nfs/dbraw/zinc/70/38/64/837703864.db2.gz QBEVXTGXMOCYBX-CVEARBPZSA-N 2 0 349.479 0.327 20 30 ECEDRP C=CCOCC[NH+]1CCN(CCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001267576225 837828870 /nfs/dbraw/zinc/82/88/70/837828870.db2.gz UIDHAPFELQTKLL-KRWDZBQOSA-N 2 0 338.496 0.217 20 30 ECEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001266326150 835704092 /nfs/dbraw/zinc/70/40/92/835704092.db2.gz YNMSGGNWUXTTEY-MRXNPFEDSA-N 2 0 339.480 0.738 20 30 ECEDRP C#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001266379339 835790620 /nfs/dbraw/zinc/79/06/20/835790620.db2.gz FRGOQWOCRYDCNP-JKSUJKDBSA-N 2 0 346.475 0.048 20 30 ECEDRP C#CCNC(=O)[C@H](C)[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266560377 835988718 /nfs/dbraw/zinc/98/87/18/835988718.db2.gz JYVRTQWTUQMAMJ-DOTOQJQBSA-N 2 0 348.491 0.294 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267070103 836713624 /nfs/dbraw/zinc/71/36/24/836713624.db2.gz HXMCDHHPJKRFHB-INIZCTEOSA-N 2 0 334.464 0.050 20 30 ECEDRP C=CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001267216520 837007079 /nfs/dbraw/zinc/00/70/79/837007079.db2.gz OOHCRNOVJKVPJJ-OAHLLOKOSA-N 2 0 348.491 0.601 20 30 ECEDRP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267702712 838300393 /nfs/dbraw/zinc/30/03/93/838300393.db2.gz IJJQZDSDMZRZII-HOTGVXAUSA-N 2 0 346.475 0.000 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001267859859 838657132 /nfs/dbraw/zinc/65/71/32/838657132.db2.gz HFTYNGXKPUFUKZ-IBGZPJMESA-N 2 0 348.491 0.342 20 30 ECEDRP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001268075309 839271181 /nfs/dbraw/zinc/27/11/81/839271181.db2.gz NAFPCXYLNMYQHS-HNNXBMFYSA-N 2 0 341.415 0.967 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCC#N ZINC000129734319 285251057 /nfs/dbraw/zinc/25/10/57/285251057.db2.gz KFBRHFRUDOADAA-OAHLLOKOSA-N 2 0 345.513 0.425 20 30 ECEDRP C=CC[NH+]=C(NCc1nnc(C)n1C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000261992967 436899738 /nfs/dbraw/zinc/89/97/38/436899738.db2.gz RUPHECDWGWDTJU-HNNXBMFYSA-N 2 0 329.452 0.701 20 30 ECEDRP CC1CC[NH+](CCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264130700 437016863 /nfs/dbraw/zinc/01/68/63/437016863.db2.gz XYPJYDNNIZAXMF-UHFFFAOYSA-N 2 0 331.468 0.645 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC(=C)C)CC2)CC1 ZINC000286388395 437091120 /nfs/dbraw/zinc/09/11/20/437091120.db2.gz DEHOKESJAUOPEX-UHFFFAOYSA-N 2 0 348.491 0.910 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nnc2n1CCCCC2 ZINC000303788817 437158061 /nfs/dbraw/zinc/15/80/61/437158061.db2.gz UTPUZHJSRTUGRV-AWEZNQCLSA-N 2 0 333.484 0.936 20 30 ECEDRP C[N@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000267388667 437326771 /nfs/dbraw/zinc/32/67/71/437326771.db2.gz CHNATSBJDMOVIH-UHFFFAOYSA-N 2 0 331.468 0.788 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000343757528 437647950 /nfs/dbraw/zinc/64/79/50/437647950.db2.gz GHELJHKKONIQIE-GDBMZVCRSA-N 2 0 336.480 0.742 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000347021943 437826871 /nfs/dbraw/zinc/82/68/71/437826871.db2.gz XPEXIADKSWPQNA-HNNXBMFYSA-N 2 0 337.468 0.276 20 30 ECEDRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCCCC#N ZINC000357158737 437925268 /nfs/dbraw/zinc/92/52/68/437925268.db2.gz XIEGILHMDKASAK-UHFFFAOYSA-N 2 0 330.498 0.968 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000371566446 437957699 /nfs/dbraw/zinc/95/76/99/437957699.db2.gz WUNMOCNLIKUGQO-ROUUACIJSA-N 2 0 333.476 0.949 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+](C)CCCC)CC1 ZINC000358124580 438159943 /nfs/dbraw/zinc/15/99/43/438159943.db2.gz HREVLFLSCKWQCX-UHFFFAOYSA-N 2 0 338.496 0.991 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000369280558 438448985 /nfs/dbraw/zinc/44/89/85/438448985.db2.gz RHQRZAGXIBHJKY-QGZVFWFLSA-N 2 0 346.519 0.959 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CC1 ZINC000519632824 439048758 /nfs/dbraw/zinc/04/87/58/439048758.db2.gz LJYKTDWUIUHEDU-UHFFFAOYSA-N 2 0 345.451 0.658 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000490657193 439285171 /nfs/dbraw/zinc/28/51/71/439285171.db2.gz QUNUHDAMBYLJKI-UHFFFAOYSA-N 2 0 332.492 0.572 20 30 ECEDRP C[NH+]1CCC(C[NH2+]C[C@H](O)CC(C)(C)C#N)(N2CCOCC2)CC1 ZINC000598726757 439308242 /nfs/dbraw/zinc/30/82/42/439308242.db2.gz ARCWLEDRYNMAKK-MRXNPFEDSA-N 2 0 338.496 0.673 20 30 ECEDRP C#CCNC(=O)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000491155310 439339363 /nfs/dbraw/zinc/33/93/63/439339363.db2.gz QNBSEAYYHOEWRT-UHFFFAOYSA-N 2 0 342.487 0.876 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000491716235 439435547 /nfs/dbraw/zinc/43/55/47/439435547.db2.gz MPFDCOUCKLLKJE-SFHVURJKSA-N 2 0 349.523 0.753 20 30 ECEDRP C[NH2+]C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000595280887 439689794 /nfs/dbraw/zinc/68/97/94/439689794.db2.gz FCYSEUSFXSMKEK-AWEZNQCLSA-N 2 0 345.447 0.173 20 30 ECEDRP C=CC[C@@]1(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCC[NH2+]1 ZINC000662710995 439854617 /nfs/dbraw/zinc/85/46/17/439854617.db2.gz KPZGVHRJXXJESM-YJBOKZPZSA-N 2 0 336.480 0.744 20 30 ECEDRP C=CCn1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)nn1 ZINC000648759450 440323190 /nfs/dbraw/zinc/32/31/90/440323190.db2.gz CWSVUVSQUJXGOO-OAHLLOKOSA-N 2 0 334.468 0.952 20 30 ECEDRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]C[C@H]3C#N)cc2)CC1 ZINC000834490543 588903353 /nfs/dbraw/zinc/90/33/53/588903353.db2.gz VRNRKSDQVICABX-NVXWUHKLSA-N 2 0 327.432 0.670 20 30 ECEDRP C[NH+](C)CCCN1C(=O)C[C@H](N2CCC3(CC2)CC(=O)C=CO3)C1=O ZINC000899253136 586478671 /nfs/dbraw/zinc/47/86/71/586478671.db2.gz KLXRBQDQXNISCT-HNNXBMFYSA-N 2 0 349.431 0.403 20 30 ECEDRP CC(C)[NH+]1CCN(CCCC(=O)NC2(C#N)CC[NH+](C)CC2)CC1 ZINC000900608038 586647341 /nfs/dbraw/zinc/64/73/41/586647341.db2.gz JNDXZAPLLZZRJP-UHFFFAOYSA-N 2 0 335.496 0.897 20 30 ECEDRP C[NH+]1CCN(c2ncccc2CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873192 589520925 /nfs/dbraw/zinc/52/09/25/589520925.db2.gz QMEFELQSKNFRJE-UHFFFAOYSA-N 2 0 341.459 0.453 20 30 ECEDRP C[NH+]=C(NC[C@@H](C1CC1)[NH+](C)C)N1CCN(c2ncccn2)CC1 ZINC000114066794 589658598 /nfs/dbraw/zinc/65/85/98/589658598.db2.gz LXUVLXMJNQSHSX-HNNXBMFYSA-N 2 0 331.468 0.514 20 30 ECEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCCN1C(=O)C(=C)C[NH+](C)C ZINC000871468357 590072217 /nfs/dbraw/zinc/07/22/17/590072217.db2.gz LBEDBMJIPQYFTK-INIZCTEOSA-N 2 0 336.480 0.719 20 30 ECEDRP CC[NH+](CC)CCN(CCOC)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884212684 590776736 /nfs/dbraw/zinc/77/67/36/590776736.db2.gz KWWIBKPKSBXGKQ-PQUAAJSLSA-N 2 0 336.480 0.943 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(C)C ZINC000884614752 590872621 /nfs/dbraw/zinc/87/26/21/590872621.db2.gz WVHVKBKQUQAWFC-JYJNAYRXSA-N 2 0 334.464 0.374 20 30 ECEDRP C[NH+](C)CCNC(=O)c1cccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000104181855 591052963 /nfs/dbraw/zinc/05/29/63/591052963.db2.gz KGBIWZGTJSXVSP-UHFFFAOYSA-N 2 0 349.504 0.842 20 30 ECEDRP C#CCN(C(=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000930492435 611435099 /nfs/dbraw/zinc/43/50/99/611435099.db2.gz XTFGDLSVFZNWCM-PBHICJAKSA-N 2 0 346.475 0.141 20 30 ECEDRP C=C1[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[C@@H]1C(=O)NC(C)(C)C[NH+](C)C ZINC000909559711 608918460 /nfs/dbraw/zinc/91/84/60/608918460.db2.gz KDSXVSCIBIZQTH-ZIAGYGMSSA-N 2 0 338.496 0.701 20 30 ECEDRP C=C1[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@H]1C(=O)NC[C@H](C)C[NH+](C)C ZINC000908344857 609651243 /nfs/dbraw/zinc/65/12/43/609651243.db2.gz FXWMQSPLRADAEX-XRGAULLZSA-N 2 0 338.496 0.416 20 30 ECEDRP C#CCN(C(=O)C(=O)N(C)CC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000910887103 609773909 /nfs/dbraw/zinc/77/39/09/609773909.db2.gz ZNOHWFFHKICAGJ-UHFFFAOYSA-N 2 0 334.464 0.097 20 30 ECEDRP C#CCN(C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000910888326 609774399 /nfs/dbraw/zinc/77/43/99/609774399.db2.gz YAIIHWDMQHUZLW-MRXNPFEDSA-N 2 0 334.464 0.095 20 30 ECEDRP C[NH+]=C(NCC[N@H+](C)C1CCCC1)N[C@H]1CCc2nc(C)nn2C1 ZINC000152088412 609832594 /nfs/dbraw/zinc/83/25/94/609832594.db2.gz MXEHKMWRDMUKDF-AWEZNQCLSA-N 2 0 333.484 0.941 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)CC1 ZINC000911235463 609833953 /nfs/dbraw/zinc/83/39/53/609833953.db2.gz FGJZLBPXXANZAS-GOSISDBHSA-N 2 0 334.464 0.498 20 30 ECEDRP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000923413099 611240573 /nfs/dbraw/zinc/24/05/73/611240573.db2.gz BLDCKKQSTFILNM-YVSFHVDLSA-N 2 0 342.399 0.459 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000921528123 611246981 /nfs/dbraw/zinc/24/69/81/611246981.db2.gz SYWYOHVBTXVAKF-ROUUACIJSA-N 2 0 348.491 0.761 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1=O ZINC000969563246 731971616 /nfs/dbraw/zinc/97/16/16/731971616.db2.gz AIYPHJBTCSNEHD-HZPDHXFCSA-N 2 0 348.491 0.838 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969815128 732404444 /nfs/dbraw/zinc/40/44/44/732404444.db2.gz RRVIHHAWQPYTLM-CVEARBPZSA-N 2 0 334.464 0.306 20 30 ECEDRP C=C(C)C[N@@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532866 733053691 /nfs/dbraw/zinc/05/36/91/733053691.db2.gz IHXONBOVCSNZRS-UHFFFAOYSA-N 2 0 327.469 0.426 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001167235851 733081263 /nfs/dbraw/zinc/08/12/63/733081263.db2.gz AWYKDXGDFCKHCZ-GJZGRUSLSA-N 2 0 336.480 0.362 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001025168664 738752317 /nfs/dbraw/zinc/75/23/17/738752317.db2.gz SFMVVWKYBLEAJM-IAGOWNOFSA-N 2 0 346.475 0.191 20 30 ECEDRP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001104294767 734018956 /nfs/dbraw/zinc/01/89/56/734018956.db2.gz ZUVZSQVTVHQBFN-HZPDHXFCSA-N 2 0 348.491 0.294 20 30 ECEDRP C[NH+]=C(NCC(=O)Nc1cccnc1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261951087 734867055 /nfs/dbraw/zinc/86/70/55/734867055.db2.gz HKLOFXSURDHPSL-SWLSCSKDSA-N 2 0 330.436 0.668 20 30 ECEDRP C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1=O ZINC000971676614 734940985 /nfs/dbraw/zinc/94/09/85/734940985.db2.gz GBEYKZUTTCBUHY-JKSUJKDBSA-N 2 0 348.491 0.790 20 30 ECEDRP CC[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261978903 735225949 /nfs/dbraw/zinc/22/59/49/735225949.db2.gz OKBRZBZQAFGXNN-CYBMUJFWSA-N 2 0 330.498 0.413 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001167636304 736188019 /nfs/dbraw/zinc/18/80/19/736188019.db2.gz RRVWWLNYAFVWTH-CVEARBPZSA-N 2 0 336.480 0.483 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001167636308 736188476 /nfs/dbraw/zinc/18/84/76/736188476.db2.gz RRVWWLNYAFVWTH-HZPDHXFCSA-N 2 0 336.480 0.483 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(OC)no3)C2)CC1 ZINC001023128045 736523699 /nfs/dbraw/zinc/52/36/99/736523699.db2.gz NKNZUIHDWHVUAS-GASCZTMLSA-N 2 0 346.431 0.765 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ncnn3CC)C2)CC1 ZINC001023128923 736524144 /nfs/dbraw/zinc/52/41/44/736524144.db2.gz YUYMVAIDUUBHED-IYBDPMFKSA-N 2 0 344.463 0.380 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nccn3C)C2)CC1 ZINC001023128569 736524246 /nfs/dbraw/zinc/52/42/46/736524246.db2.gz KFKBIYVNQSKQIL-IYBDPMFKSA-N 2 0 329.448 0.502 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CCC[NH+](C)C)C2 ZINC001112519067 737736711 /nfs/dbraw/zinc/73/67/11/737736711.db2.gz RJBUTBQPHNJLFQ-LPHOPBHVSA-N 2 0 348.491 0.296 20 30 ECEDRP CCN1CCCC[C@@H]1CNC(=[NH+]C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261947581 742984012 /nfs/dbraw/zinc/98/40/12/742984012.db2.gz GJODJUORQDRMNG-CQSZACIVSA-N 2 0 344.525 0.945 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001027173121 743005293 /nfs/dbraw/zinc/00/52/93/743005293.db2.gz KQLALNGGGAJJBE-HZPDHXFCSA-N 2 0 346.475 0.307 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1 ZINC000261623141 751845093 /nfs/dbraw/zinc/84/50/93/751845093.db2.gz CCFBNQPOSSXQCC-KRWDZBQOSA-N 3 0 334.512 0.192 20 30 ECEDRP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999960092 745101218 /nfs/dbraw/zinc/10/12/18/745101218.db2.gz BMQZNIDWYWLSEC-HOTGVXAUSA-N 2 0 332.452 0.811 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC([N@H+](C)[C@@H]3CCNC3=O)CC2)CC1 ZINC000985805250 749140429 /nfs/dbraw/zinc/14/04/29/749140429.db2.gz VOWFGKMPQYUQMR-QGZVFWFLSA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H]3C[N@@H+](CCO)C[C@H]3C2)CC1 ZINC000980252809 749258924 /nfs/dbraw/zinc/25/89/24/749258924.db2.gz JGRMKBJSDMLRKB-KZNAEPCWSA-N 2 0 333.476 0.541 20 30 ECEDRP C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCN(C(=O)Cn3ccnc3)C2)C1=O ZINC001029914105 749586335 /nfs/dbraw/zinc/58/63/35/749586335.db2.gz QWPALEQHKCSBNJ-HZPDHXFCSA-N 2 0 345.447 0.450 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)[C@H](CC)C(N)=O)C2)CC1 ZINC000980477668 749630322 /nfs/dbraw/zinc/63/03/22/749630322.db2.gz IROBMFWYXHUVTN-JKSUJKDBSA-N 2 0 334.464 0.128 20 30 ECEDRP C#CCC[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CN(CC)CCO3)C[C@@]2(C)C1 ZINC000982820230 753852252 /nfs/dbraw/zinc/85/22/52/753852252.db2.gz JXSPIWFHRHMVNZ-YTQUADARSA-N 2 0 333.476 0.901 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCn3cncn3)C[C@@H]2C)CC1 ZINC000989829133 754498753 /nfs/dbraw/zinc/49/87/53/754498753.db2.gz OJKDCYYTDYYSJT-RDJZCZTQSA-N 2 0 344.463 0.202 20 30 ECEDRP N#CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001168320545 754507550 /nfs/dbraw/zinc/50/75/50/754507550.db2.gz BDJHYWLUODSACX-UHFFFAOYSA-N 2 0 349.479 0.378 20 30 ECEDRP C#CC[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 ZINC001105672647 755786133 /nfs/dbraw/zinc/78/61/33/755786133.db2.gz CHTBPPGVPFTCAN-RWQQGDIJSA-N 2 0 335.492 0.926 20 30 ECEDRP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]3C2)C1=O ZINC001049065478 757856865 /nfs/dbraw/zinc/85/68/65/757856865.db2.gz TWDJYTDELDCNOM-YVSFHVDLSA-N 2 0 348.491 0.504 20 30 ECEDRP C=CCCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001107235021 758019904 /nfs/dbraw/zinc/01/99/04/758019904.db2.gz XJLLBBVDHZQXMN-CQSZACIVSA-N 2 0 332.452 0.669 20 30 ECEDRP N#Cc1ccccc1C[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127777661 758600282 /nfs/dbraw/zinc/60/02/82/758600282.db2.gz APUMDVXBOIBLDX-IAGOWNOFSA-N 2 0 328.416 0.627 20 30 ECEDRP N#Cc1ccc(C[NH2+]CCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC001127779497 758623381 /nfs/dbraw/zinc/62/33/81/758623381.db2.gz MLJUZYGFHQUOEY-IRXDYDNUSA-N 2 0 328.416 0.627 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)C1=O ZINC001022600766 758937970 /nfs/dbraw/zinc/93/79/70/758937970.db2.gz WRMZRULLPJZFIZ-SMLCLMEVSA-N 2 0 348.491 0.740 20 30 ECEDRP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001049611040 758990957 /nfs/dbraw/zinc/99/09/57/758990957.db2.gz NWSCUSZNZKDFAQ-KZIZELGASA-N 2 0 343.471 0.938 20 30 ECEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001047638411 759373736 /nfs/dbraw/zinc/37/37/36/759373736.db2.gz RFDKOCPRMMDWRW-ROUUACIJSA-N 2 0 329.444 0.889 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3CCCO)CC1 ZINC001049921082 759405472 /nfs/dbraw/zinc/40/54/72/759405472.db2.gz UZKRWGPGEIVKKK-MSOLQXFVSA-N 2 0 333.476 0.779 20 30 ECEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](O)C1 ZINC001083633372 759874359 /nfs/dbraw/zinc/87/43/59/759874359.db2.gz UUCOFHWZQKXDDE-CVEARBPZSA-N 2 0 327.388 0.618 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)CC1 ZINC001050208603 759944256 /nfs/dbraw/zinc/94/42/56/759944256.db2.gz PKVKXOAYYSHIPN-HYVNUMGLSA-N 2 0 346.475 0.128 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H]3CCCNC3=O)C2)CC1 ZINC001046849053 763226491 /nfs/dbraw/zinc/22/64/91/763226491.db2.gz ADPMLSGVSIRRRK-APWZRJJASA-N 2 0 346.475 0.191 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC(=O)NC)C3)CC1 ZINC001047209843 763805454 /nfs/dbraw/zinc/80/54/54/763805454.db2.gz YARBTMHNYDBAMF-XIRDDKMYSA-N 2 0 346.475 0.047 20 30 ECEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052107937 763889258 /nfs/dbraw/zinc/88/92/58/763889258.db2.gz IAOFESISDZHWLF-ROUUACIJSA-N 2 0 332.492 0.570 20 30 ECEDRP C#CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001052573528 764783234 /nfs/dbraw/zinc/78/32/34/764783234.db2.gz XVSLKINVPWDLAL-VZDIDWBNSA-N 2 0 331.460 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCN3CCCC3=O)C2)CC1 ZINC001016328293 766122898 /nfs/dbraw/zinc/12/28/98/766122898.db2.gz CFYHQOFQJDUPPU-QGZVFWFLSA-N 2 0 346.475 0.145 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC2)C1 ZINC001046064456 766844986 /nfs/dbraw/zinc/84/49/86/766844986.db2.gz NQOGBQQTCSPROP-SFHVURJKSA-N 2 0 346.519 0.960 20 30 ECEDRP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046077086 766906419 /nfs/dbraw/zinc/90/64/19/766906419.db2.gz RRJNJXAFZBJHGE-KRWDZBQOSA-N 2 0 332.492 0.877 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC001046085819 766928289 /nfs/dbraw/zinc/92/82/89/766928289.db2.gz RMUNQHSHGOHHNE-RTBURBONSA-N 2 0 346.519 0.959 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001106797076 769013007 /nfs/dbraw/zinc/01/30/07/769013007.db2.gz HOMUCSWWSHVUNP-IAGOWNOFSA-N 2 0 348.491 0.152 20 30 ECEDRP C[NH+](C)CCCC(=O)NCC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC001055625860 769291670 /nfs/dbraw/zinc/29/16/70/769291670.db2.gz KWSGFEJHSDABPV-UHFFFAOYSA-N 2 0 348.491 0.438 20 30 ECEDRP C=CCCC(=O)NC1CC[NH+](CCNC(=O)CCC[NH+](C)C)CC1 ZINC001055626112 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/nfs/dbraw/zinc/45/97/34/836459734.db2.gz JZAKESBGYPWJDU-UUAJXVIYSA-N 2 0 348.491 0.291 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266995300 836580479 /nfs/dbraw/zinc/58/04/79/836580479.db2.gz QRPDCUFGLUKLID-GJZGRUSLSA-N 2 0 344.459 0.594 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCNC(=O)C3CC3)C2)CC1 ZINC001267026778 836645774 /nfs/dbraw/zinc/64/57/74/836645774.db2.gz VJCFJZDVYVJAGH-KRWDZBQOSA-N 2 0 346.475 0.048 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267044616 836671358 /nfs/dbraw/zinc/67/13/58/836671358.db2.gz KFZNLJNHQPCXCC-LSDHHAIUSA-N 2 0 334.464 0.047 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001267088688 836738772 /nfs/dbraw/zinc/73/87/72/836738772.db2.gz NVOPOWOQOCQWRZ-IAGOWNOFSA-N 2 0 348.491 0.485 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H]2CCN(CC=C)C2=O)CC1 ZINC001267116437 836811393 /nfs/dbraw/zinc/81/13/93/836811393.db2.gz AXPNFGXHEBFKMJ-QGZVFWFLSA-N 2 0 346.475 0.167 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001267596925 837902517 /nfs/dbraw/zinc/90/25/17/837902517.db2.gz RKTRIVQZLXWYSC-JKSUJKDBSA-N 2 0 338.496 0.798 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001267820520 838610082 /nfs/dbraw/zinc/61/00/82/838610082.db2.gz GIIHTVHBUIYOMO-JKSUJKDBSA-N 2 0 336.480 0.485 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC2(C[NH2+][C@H]3CCNC3=O)CCCC2)CC1 ZINC001267847499 838645831 /nfs/dbraw/zinc/64/58/31/838645831.db2.gz YHSUMHYUABLFFG-INIZCTEOSA-N 2 0 346.475 0.239 20 30 ECEDRP C=CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001268041764 839185329 /nfs/dbraw/zinc/18/53/29/839185329.db2.gz DFUHUMDHJCPRMQ-GJZGRUSLSA-N 2 0 336.480 0.647 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)n1cnc(C#N)n1 ZINC000336959953 266147033 /nfs/dbraw/zinc/14/70/33/266147033.db2.gz ZQHHCNMVLWANEU-GJZGRUSLSA-N 2 0 347.467 0.585 20 30 ECEDRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)n1cnc(C#N)n1 ZINC000336959952 266147894 /nfs/dbraw/zinc/14/78/94/266147894.db2.gz ZQHHCNMVLWANEU-CABCVRRESA-N 2 0 347.467 0.585 20 30 ECEDRP C[NH+]=C(NCC1(O)CCCC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000262791655 273481354 /nfs/dbraw/zinc/48/13/54/273481354.db2.gz OCOHJKLYKWUZGW-OAHLLOKOSA-N 2 0 338.496 0.957 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000490818733 276783364 /nfs/dbraw/zinc/78/33/64/276783364.db2.gz ABQHMOBPXZTVPP-LJQANCHMSA-N 2 0 346.519 0.959 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270574327 436674799 /nfs/dbraw/zinc/67/47/99/436674799.db2.gz OECQKLRUMMUDPS-MRXNPFEDSA-N 3 0 348.495 0.911 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(N2CCOCC2)c1 ZINC000264081576 437015953 /nfs/dbraw/zinc/01/59/53/437015953.db2.gz IOKJMLQSJSJLTB-MRXNPFEDSA-N 2 0 346.479 0.807 20 30 ECEDRP C#Cc1cccc(NC(=O)CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)c1 ZINC000264101898 437017470 /nfs/dbraw/zinc/01/74/70/437017470.db2.gz ONFHPFITEZLEHV-INIZCTEOSA-N 2 0 327.432 0.995 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000264114910 437017704 /nfs/dbraw/zinc/01/77/04/437017704.db2.gz SDSDFKOFIQFAPR-MRXNPFEDSA-N 2 0 331.464 0.734 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC2CC[NH+](CC=C)CC2)CC1 ZINC000264454311 437032710 /nfs/dbraw/zinc/03/27/10/437032710.db2.gz ZIFMENGOLVUXFJ-UHFFFAOYSA-N 2 0 334.464 0.520 20 30 ECEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000303694178 437154794 /nfs/dbraw/zinc/15/47/94/437154794.db2.gz CQNQIUVDNUIRNI-AWEZNQCLSA-N 2 0 325.457 0.996 20 30 ECEDRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000303898054 437156246 /nfs/dbraw/zinc/15/62/46/437156246.db2.gz QZLNRPQLYSMTDC-ZDUSSCGKSA-N 2 0 337.468 0.996 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cnc(C#N)n1 ZINC000178494704 437215554 /nfs/dbraw/zinc/21/55/54/437215554.db2.gz BXBCTKVEFBARSH-CQSZACIVSA-N 2 0 333.440 0.024 20 30 ECEDRP Cn1ccnc1N1CCN(CC(=O)N(CCC#N)CCC#N)CC1 ZINC000266881044 437260018 /nfs/dbraw/zinc/26/00/18/437260018.db2.gz AEIDRIRTZVHMEV-UHFFFAOYSA-N 2 0 329.408 0.198 20 30 ECEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330215123 437470288 /nfs/dbraw/zinc/47/02/88/437470288.db2.gz MEITVRJUISTNKA-OAHLLOKOSA-N 2 0 349.483 0.722 20 30 ECEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330215122 437470432 /nfs/dbraw/zinc/47/04/32/437470432.db2.gz MEITVRJUISTNKA-HNNXBMFYSA-N 2 0 349.483 0.722 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)CC1 ZINC000343765285 437649406 /nfs/dbraw/zinc/64/94/06/437649406.db2.gz MUXHOCMIWVHWSP-HNNXBMFYSA-N 2 0 336.480 0.553 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000340507938 437678319 /nfs/dbraw/zinc/67/83/19/437678319.db2.gz HGLCYXPTCWWRBB-AWEZNQCLSA-N 2 0 334.464 0.354 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000343933378 437700004 /nfs/dbraw/zinc/70/00/04/437700004.db2.gz ZPUNPLCIAQBNRB-INIZCTEOSA-N 2 0 336.480 0.744 20 30 ECEDRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424140802 437894483 /nfs/dbraw/zinc/89/44/83/437894483.db2.gz BYTCOPHORXIDKI-MRXNPFEDSA-N 2 0 345.447 0.615 20 30 ECEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000424191733 437903117 /nfs/dbraw/zinc/90/31/17/437903117.db2.gz HWHJYFARWABXKL-OAHLLOKOSA-N 2 0 345.447 0.930 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)C(C)C ZINC000419567394 438362962 /nfs/dbraw/zinc/36/29/62/438362962.db2.gz ILLZYBFFRGBBCU-BZUAXINKSA-N 2 0 336.480 0.607 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1)C(C)C ZINC000419567683 438363464 /nfs/dbraw/zinc/36/34/64/438363464.db2.gz JACAQASBGJRTKF-CVEARBPZSA-N 2 0 336.480 0.608 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])CC1 ZINC000419727546 438369945 /nfs/dbraw/zinc/36/99/45/438369945.db2.gz LQXMTGNBDAVEBI-HOCLYGCPSA-N 2 0 336.480 0.729 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420370834 438402430 /nfs/dbraw/zinc/40/24/30/438402430.db2.gz CXMLCLUIMAEPOC-AEGPPILISA-N 2 0 338.452 0.605 20 30 ECEDRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000591739458 439077684 /nfs/dbraw/zinc/07/76/84/439077684.db2.gz VZBCWUFHTHREDX-QGZVFWFLSA-N 2 0 346.475 0.914 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000491392144 439374961 /nfs/dbraw/zinc/37/49/61/439374961.db2.gz AFHQAENMYUCLTE-IAGOWNOFSA-N 2 0 336.480 0.619 20 30 ECEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000491813210 439457674 /nfs/dbraw/zinc/45/76/74/439457674.db2.gz GSALIRXSNQXEPG-GOSISDBHSA-N 2 0 349.523 0.751 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600765770 439700942 /nfs/dbraw/zinc/70/09/42/439700942.db2.gz MXCWORMRDKZMGT-UKRRQHHQSA-N 2 0 338.452 0.477 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000653392939 440149649 /nfs/dbraw/zinc/14/96/49/440149649.db2.gz OICDTJMNGRSIME-UHFFFAOYSA-N 2 0 336.480 0.697 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000653392581 440150540 /nfs/dbraw/zinc/15/05/40/440150540.db2.gz GNVLGQLMJGFPSL-UHFFFAOYSA-N 2 0 338.496 0.847 20 30 ECEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000627371656 440160036 /nfs/dbraw/zinc/16/00/36/440160036.db2.gz MZVKJPFMFBOUFO-ARFHVFGLSA-N 2 0 336.480 0.668 20 30 ECEDRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000557889423 322211569 /nfs/dbraw/zinc/21/15/69/322211569.db2.gz PRIHAZLVGLZLOQ-GOSISDBHSA-N 2 0 346.475 0.915 20 30 ECEDRP C=C(CNC(=O)C[NH+]1CC[C@@H](C)C1)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000620749645 546450881 /nfs/dbraw/zinc/45/08/81/546450881.db2.gz HXIDSTPAVDCQEF-GASCZTMLSA-N 2 0 336.480 0.459 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668836372 547763437 /nfs/dbraw/zinc/76/34/37/547763437.db2.gz XOWVDUBIDDPKCK-OAHLLOKOSA-N 2 0 336.480 0.742 20 30 ECEDRP C(C[NH+]1CCCCC1)NN=C1CC[NH+](CCN2CCOCC2)CC1 ZINC000731558706 578312985 /nfs/dbraw/zinc/31/29/85/578312985.db2.gz GPQOHECXCLKCDM-UHFFFAOYSA-N 2 0 337.512 0.846 20 30 ECEDRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841016054 588976106 /nfs/dbraw/zinc/97/61/06/588976106.db2.gz CPLVFOLPCGPQEN-PBHICJAKSA-N 2 0 342.447 0.980 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000838622263 586818733 /nfs/dbraw/zinc/81/87/33/586818733.db2.gz BAZJBEUEOJOTIW-QGZVFWFLSA-N 2 0 335.496 0.363 20 30 ECEDRP C#CC[NH+](C)CCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000838623896 586819361 /nfs/dbraw/zinc/81/93/61/586819361.db2.gz VSIFIRQDZODDAW-SFHVURJKSA-N 2 0 349.523 0.751 20 30 ECEDRP N#Cc1cccc(C[NH+]2CCC(NC(=O)C3=NO[C@@H](C[NH3+])C3)CC2)c1 ZINC000852896522 589523280 /nfs/dbraw/zinc/52/32/80/589523280.db2.gz CQNZGXPVVHOZID-MRXNPFEDSA-N 2 0 341.415 0.742 20 30 ECEDRP C[NH+](C)C1(CNC(=O)[C@@H]2[NH2+]CCc3cc(C#N)ccc32)CCOCC1 ZINC000876762515 590411668 /nfs/dbraw/zinc/41/16/68/590411668.db2.gz HXHARJZMQNWWPL-QGZVFWFLSA-N 2 0 342.443 0.972 20 30 ECEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000876801910 590416522 /nfs/dbraw/zinc/41/65/22/590416522.db2.gz KHQNBWWQCWATEX-IAGOWNOFSA-N 2 0 341.459 0.598 20 30 ECEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104168614 591052441 /nfs/dbraw/zinc/05/24/41/591052441.db2.gz FWXPSESHGKWVMA-IAGOWNOFSA-N 2 0 339.528 0.981 20 30 ECEDRP C=C1[C@@H](C(=O)NC2CC([NH+](C)C)C2)[C@@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000908012619 609637024 /nfs/dbraw/zinc/63/70/24/609637024.db2.gz NYYWHKIXXDXXAR-LOMNCMHXSA-N 2 0 334.464 0.206 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000913988224 609840572 /nfs/dbraw/zinc/84/05/72/609840572.db2.gz HGHJHPDEDGZOQW-HZPDHXFCSA-N 2 0 336.480 0.883 20 30 ECEDRP C#CCN(C(=O)NC1CC[NH+](CCOC)CC1)C1CC[NH+](C)CC1 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C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001020934487 752360217 /nfs/dbraw/zinc/36/02/17/752360217.db2.gz UBRRXPMYLQTTJF-RBSFLKMASA-N 2 0 332.448 0.106 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]Cc3cn(CC)nn3)C2)CC1 ZINC001021090300 752529883 /nfs/dbraw/zinc/52/98/83/752529883.db2.gz SHYGJXXMSLBIPD-WKILWMFISA-N 2 0 344.463 0.380 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@]3(C)C[N@@H+](CCCO)C[C@]3(C)C2)CC1 ZINC000982832123 753888664 /nfs/dbraw/zinc/88/86/64/753888664.db2.gz VZYLSZHQTPXGNN-BGYRXZFFSA-N 2 0 347.503 0.884 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCCC2(C[NH2+]CC(=O)N(C)C)CC2)CC1 ZINC001168307898 754269070 /nfs/dbraw/zinc/26/90/70/754269070.db2.gz LKDNSEQFQAIGDU-UHFFFAOYSA-N 2 0 348.491 0.296 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]32)CC1 ZINC001076605644 756724918 /nfs/dbraw/zinc/72/49/18/756724918.db2.gz LHFPKOSVDMSFMM-YESZJQIVSA-N 2 0 346.475 0.128 20 30 ECEDRP 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ZBSUDTGFAVMILX-SJORKVTESA-N 2 0 346.475 0.143 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000950431709 612016600 /nfs/dbraw/zinc/01/66/00/612016600.db2.gz IBQDIXOWASBZPY-SJORKVTESA-N 2 0 348.491 0.389 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](CCCO)C3)C2)CC1 ZINC001041842718 782323842 /nfs/dbraw/zinc/32/38/42/782323842.db2.gz AVWRFKBNCBDHKL-IBGZPJMESA-N 2 0 333.476 0.638 20 30 ECEDRP C#CCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001104433563 736191641 /nfs/dbraw/zinc/19/16/41/736191641.db2.gz KTIQBVDGTANEFD-QUJXQBBWSA-N 2 0 345.487 0.947 20 30 ECEDRP C#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CN(C)CCO1)C[C@@H](C)O2 ZINC001098577372 736913963 /nfs/dbraw/zinc/91/39/63/736913963.db2.gz CTTDLOQVFDBRIC-CVEARBPZSA-N 2 0 335.448 0.032 20 30 ECEDRP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001025554258 739714000 /nfs/dbraw/zinc/71/40/00/739714000.db2.gz AHFSGCXMKVTIHX-JKSUJKDBSA-N 2 0 331.464 0.908 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001025793986 739960051 /nfs/dbraw/zinc/96/00/51/739960051.db2.gz GPGWDUDIUSXMSO-FFRIZKCHSA-N 2 0 346.475 0.160 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)c3cnccn3)C[C@H]21 ZINC001025814032 739996417 /nfs/dbraw/zinc/99/64/17/739996417.db2.gz FDWRDUNHTAFLCK-ONMISFSYSA-N 2 0 339.443 0.682 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)C[N@H+]2CCC[C@@H]2C)C1=O ZINC001026040886 740326866 /nfs/dbraw/zinc/32/68/66/740326866.db2.gz SVYAEENSVQXUIM-ZNFSNMQZSA-N 2 0 346.475 0.304 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](C[C@@H]4CC[C@H](C)O4)C[C@H]32)CC1 ZINC001026149316 740424923 /nfs/dbraw/zinc/42/49/23/740424923.db2.gz HGZGKWPKLSMPGI-GPFWEFOESA-N 2 0 345.487 0.946 20 30 ECEDRP C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC001026373934 741104107 /nfs/dbraw/zinc/10/41/07/741104107.db2.gz WFCSCOLHESVYHL-BHYGNILZSA-N 2 0 329.448 0.518 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[N@@H+](C)C3CCC3)C2)nn1 ZINC001105259930 741583217 /nfs/dbraw/zinc/58/32/17/741583217.db2.gz SDYLNGXNACNSFN-UHFFFAOYSA-N 2 0 330.436 0.259 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2cnn(C)c2)C1 ZINC001026892750 742036356 /nfs/dbraw/zinc/03/63/56/742036356.db2.gz BGXWIUAWLQTCBR-RDJZCZTQSA-N 2 0 329.448 0.456 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(S(C)(=O)=O)CC1 ZINC000261597357 751752102 /nfs/dbraw/zinc/75/21/02/751752102.db2.gz AADBVHIFCWNOMB-CQSZACIVSA-N 2 0 345.513 0.047 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001029003354 743155335 /nfs/dbraw/zinc/15/53/35/743155335.db2.gz LUBNDVNKBVOMET-GDBMZVCRSA-N 2 0 334.464 0.034 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3nccn3C)C2)CC1 ZINC001027234013 743245837 /nfs/dbraw/zinc/24/58/37/743245837.db2.gz ODODAVUWKYQGHO-MRXNPFEDSA-N 2 0 343.475 0.703 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)C1=O ZINC000999832251 744927487 /nfs/dbraw/zinc/92/74/87/744927487.db2.gz BDXQJAHLGQLPAX-GPANFISMSA-N 2 0 334.464 0.448 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000046322 745227381 /nfs/dbraw/zinc/22/73/81/745227381.db2.gz SHPBDWIHPFEGOG-ZBFHGGJFSA-N 2 0 330.436 0.116 20 30 ECEDRP COCC#CC[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154651 745368000 /nfs/dbraw/zinc/36/80/00/745368000.db2.gz WDFOOZYPLWPLSQ-ZIAGYGMSSA-N 2 0 349.397 0.957 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000261688961 752216160 /nfs/dbraw/zinc/21/61/60/752216160.db2.gz IKJOAKLELSZCLI-SFHVURJKSA-N 3 0 348.539 0.558 20 30 ECEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262806196 749832386 /nfs/dbraw/zinc/83/23/86/749832386.db2.gz SGXTYLHANJCTSA-OAHLLOKOSA-N 3 0 347.511 0.979 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3ccn(C)n3)[C@@H]2C)CC1 ZINC000987575028 750976696 /nfs/dbraw/zinc/97/66/96/750976696.db2.gz 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C#CCC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+]3CCCCC3)C2)nn1 ZINC001105377195 754504398 /nfs/dbraw/zinc/50/43/98/754504398.db2.gz UFCGQLPKXWVJAB-UHFFFAOYSA-N 2 0 344.463 0.650 20 30 ECEDRP C#CCC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+](C)C)[C@@H]2C(C)C)C[C@H]1O ZINC001105659977 755219189 /nfs/dbraw/zinc/21/91/89/755219189.db2.gz RLMXPRRYFDRLQC-PSBWJHGTSA-N 2 0 335.492 0.928 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1=O ZINC001030020034 755576640 /nfs/dbraw/zinc/57/66/40/755576640.db2.gz BOJTXVVLUGHWFW-ARFHVFGLSA-N 2 0 334.464 0.448 20 30 ECEDRP C=CCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001076070410 756054962 /nfs/dbraw/zinc/05/49/62/756054962.db2.gz HWDWSCJDQDJXNB-RWBIUQBRSA-N 2 0 331.460 0.958 20 30 ECEDRP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCC[N@H+]3C)CCC[C@@H]12 ZINC001107328918 758300601 /nfs/dbraw/zinc/30/06/01/758300601.db2.gz CAPBXXVCGUVGPV-FRQCXROJSA-N 2 0 348.491 0.744 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCc3ccnn3C)C2)CC1 ZINC001032207170 759628942 /nfs/dbraw/zinc/62/89/42/759628942.db2.gz GFOFDIJIYJXSOM-UHFFFAOYSA-N 2 0 343.475 0.356 20 30 ECEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)CC1 ZINC001050598350 760550765 /nfs/dbraw/zinc/55/07/65/760550765.db2.gz CGKLEEAGDCBFQL-GNZRSQJKSA-N 2 0 343.471 0.797 20 30 ECEDRP CC#CC[NH+]1CCC2(CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC001050755566 760785065 /nfs/dbraw/zinc/78/50/65/760785065.db2.gz DUQAJRYHZBNADQ-QGZVFWFLSA-N 2 0 333.476 0.902 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CCCO)CC3)CC1 ZINC001050765837 760808325 /nfs/dbraw/zinc/80/83/25/760808325.db2.gz YERRXZWVCWSURO-UHFFFAOYSA-N 2 0 333.476 0.638 20 30 ECEDRP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3cccc(C#N)c3)C2)C1 ZINC001051930121 763362607 /nfs/dbraw/zinc/36/26/07/763362607.db2.gz IWFDKPNOXVQZEJ-MSOLQXFVSA-N 2 0 342.443 0.827 20 30 ECEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)CC1 ZINC001052036681 763650572 /nfs/dbraw/zinc/65/05/72/763650572.db2.gz SIKDOJCXANQRHY-ROUUACIJSA-N 2 0 332.492 0.568 20 30 ECEDRP C#CC[NH+]1CCC([C@@H]2CCCN(C(=O)[C@H]3CN(C)CCO3)C2)CC1 ZINC001047227662 763816321 /nfs/dbraw/zinc/81/63/21/763816321.db2.gz DZDYBHAUULZJRY-QZTJIDSGSA-N 2 0 333.476 0.901 20 30 ECEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001047408796 764254651 /nfs/dbraw/zinc/25/46/51/764254651.db2.gz CIQSFBVSKWFYIT-BZSNNMDCSA-N 2 0 333.476 0.920 20 30 ECEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001047501151 764525543 /nfs/dbraw/zinc/52/55/43/764525543.db2.gz NHCCFSAOBUGACX-BZSNNMDCSA-N 2 0 333.476 0.920 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC)[C@H](C)C2)CC1 ZINC001107030609 764740681 /nfs/dbraw/zinc/74/06/81/764740681.db2.gz OHNBPDYAPLVKDQ-NVXWUHKLSA-N 2 0 348.491 0.152 20 30 ECEDRP C#CCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CCC[C@H]12 ZINC000991958084 764943763 /nfs/dbraw/zinc/94/37/63/764943763.db2.gz SZYWFXPMJXUYIL-NNMQDGNJSA-N 2 0 343.471 0.986 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCn3cccn3)C2)CC1 ZINC001016331128 766130601 /nfs/dbraw/zinc/13/06/01/766130601.db2.gz XDVJNGNVMQOLJS-KRWDZBQOSA-N 2 0 329.448 0.419 20 30 ECEDRP C=C(C)CC[NH+]1CC2(C1)CC[C@@H](CNC(=O)[C@@H]1CN(C)CCO1)O2 ZINC001053585744 766376457 /nfs/dbraw/zinc/37/64/57/766376457.db2.gz KIFWPNCZFBBITM-HOTGVXAUSA-N 2 0 337.464 0.633 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001046032159 766704998 /nfs/dbraw/zinc/70/49/98/766704998.db2.gz FDAHZVQDWFRVCH-FGTMMUONSA-N 2 0 332.492 0.568 20 30 ECEDRP C#CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC001046041979 766753893 /nfs/dbraw/zinc/75/38/93/766753893.db2.gz VWZFJESPGWMVKQ-QZTJIDSGSA-N 2 0 332.492 0.713 20 30 ECEDRP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC2)C1 ZINC001046042241 766755369 /nfs/dbraw/zinc/75/53/69/766755369.db2.gz XTRFRMSZOVRRFE-QZTJIDSGSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CCC[N@H+]1CC[C@H](N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001046058895 766819700 /nfs/dbraw/zinc/81/97/00/766819700.db2.gz VMENVQBLWKORRT-SFHVURJKSA-N 2 0 332.492 0.570 20 30 ECEDRP CC#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC001046073837 766887507 /nfs/dbraw/zinc/88/75/07/766887507.db2.gz MGINLJLBDCIUPR-IBGZPJMESA-N 2 0 346.519 0.960 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC23CC[NH+](C[C@H](C)O)CC3)CC1 ZINC001016984098 767437914 /nfs/dbraw/zinc/43/79/14/767437914.db2.gz CQHLDPGALBYPRA-RDJZCZTQSA-N 2 0 333.476 0.683 20 30 ECEDRP C=CCCC(=O)NC1CC[NH+](CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001055602100 769234480 /nfs/dbraw/zinc/23/44/80/769234480.db2.gz PBEGCMLNVCIWDJ-UHFFFAOYSA-N 2 0 348.491 0.745 20 30 ECEDRP C=CCN1CC[C@@H]([NH+]2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001045639936 775946149 /nfs/dbraw/zinc/94/61/49/775946149.db2.gz VPEUWJMTTLVBEG-HZPDHXFCSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001079719786 776761638 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ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cncn1C ZINC001070710533 784580135 /nfs/dbraw/zinc/58/01/35/784580135.db2.gz FVXWCNDWPMCHOJ-HUUCEWRRSA-N 2 0 327.432 0.033 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]2C)C1=O ZINC001074710638 787657599 /nfs/dbraw/zinc/65/75/99/787657599.db2.gz BEBHGUQELSPDBI-YHUYYLMFSA-N 2 0 336.480 0.693 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)C3CC[NH+](C)CC3)[C@H]2C)C1=O ZINC001074852958 788438951 /nfs/dbraw/zinc/43/89/51/788438951.db2.gz HIUYXWYOXXJBEO-BHYGNILZSA-N 2 0 348.491 0.694 20 30 ECEDRP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001267487091 837549094 /nfs/dbraw/zinc/54/90/94/837549094.db2.gz AJYDRNMFCKDUBG-WBVHZDCISA-N 2 0 348.491 0.437 20 30 ECEDRP CCCN(C(=O)Cn1ccnc1C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001267495698 837565663 /nfs/dbraw/zinc/56/56/63/837565663.db2.gz FUSCNJFQQPOABT-OAHLLOKOSA-N 2 0 346.435 0.144 20 30 ECEDRP 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0.757 20 30 ECEDRP CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000130324061 436836776 /nfs/dbraw/zinc/83/67/76/436836776.db2.gz YELUEUCOOZVWDL-DLBZAZTESA-N 2 0 335.496 0.706 20 30 ECEDRP C=CC[NH+]1CCC(NC(NC[C@H]2CCc3nnc(C)n3C2)=[NH+]C)CC1 ZINC000262796513 436941956 /nfs/dbraw/zinc/94/19/56/436941956.db2.gz PMPQGNMJJJPEHH-OAHLLOKOSA-N 2 0 345.495 0.964 20 30 ECEDRP C[NH+]=C(NCCCC[NH+]1CCC(C(N)=O)CC1)NCc1ccco1 ZINC000264054497 437015288 /nfs/dbraw/zinc/01/52/88/437015288.db2.gz NLYIWZTXRRUDMA-UHFFFAOYSA-N 2 0 335.452 0.922 20 30 ECEDRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC000329182997 437330844 /nfs/dbraw/zinc/33/08/44/437330844.db2.gz FMGCQIDFDBEMSL-DKUMPPAJSA-N 2 0 338.452 0.357 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)CC1 ZINC000343734672 437640128 /nfs/dbraw/zinc/64/01/28/437640128.db2.gz DJQFTESMQBHERO-UHFFFAOYSA-N 2 0 338.496 0.799 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C)[C@H](C(C)C)C2)CC1 ZINC000343737501 437643395 /nfs/dbraw/zinc/64/33/95/437643395.db2.gz IUGTVWUXOUQIKS-INIZCTEOSA-N 2 0 336.480 0.552 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000343795026 437661255 /nfs/dbraw/zinc/66/12/55/437661255.db2.gz WDGHZWHIGACUDV-OAHLLOKOSA-N 2 0 336.480 0.553 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000343928550 437700474 /nfs/dbraw/zinc/70/04/74/437700474.db2.gz VUWYQUVDYPXVFY-NVXWUHKLSA-N 2 0 348.491 0.696 20 30 ECEDRP C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371306200 437917172 /nfs/dbraw/zinc/91/71/72/437917172.db2.gz SJVLMUYIWDOZOU-RDJZCZTQSA-N 2 0 335.496 0.847 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000350181164 438201520 /nfs/dbraw/zinc/20/15/20/438201520.db2.gz LCPDKTUOAPGURH-GJZGRUSLSA-N 2 0 340.468 0.819 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)C(C)C ZINC000419563434 438362737 /nfs/dbraw/zinc/36/27/37/438362737.db2.gz BBBSLDQIGGTMFO-HOTGVXAUSA-N 2 0 336.480 0.622 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2CCC)CC1 ZINC000419691854 438367275 /nfs/dbraw/zinc/36/72/75/438367275.db2.gz APHFFHCTCQEXKB-INIZCTEOSA-N 2 0 336.480 0.744 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419734059 438368781 /nfs/dbraw/zinc/36/87/81/438368781.db2.gz UVCLTNSYCQMDMN-MRXNPFEDSA-N 2 0 338.496 0.975 20 30 ECEDRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)CN1CC[NH+](C)CC1 ZINC000567691032 439167951 /nfs/dbraw/zinc/16/79/51/439167951.db2.gz NRHSHWIOOIURJH-FUHWJXTLSA-N 2 0 346.475 0.771 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000491427913 439381572 /nfs/dbraw/zinc/38/15/72/439381572.db2.gz MMJUVASIEYYYNS-SJORKVTESA-N 2 0 336.480 0.869 20 30 ECEDRP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000593779248 439466550 /nfs/dbraw/zinc/46/65/50/439466550.db2.gz PRDNKAFIHHECPW-CYBMUJFWSA-N 2 0 343.431 0.102 20 30 ECEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593735984 439457104 /nfs/dbraw/zinc/45/71/04/439457104.db2.gz CHQLYRVVWYQMIB-ZQDZILKHSA-N 2 0 338.452 0.605 20 30 ECEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000594443233 439561891 /nfs/dbraw/zinc/56/18/91/439561891.db2.gz BCOZDSHGHFPEQZ-RYUDHWBXSA-N 2 0 335.374 0.350 20 30 ECEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(C#N)cc1 ZINC000595109973 439654840 /nfs/dbraw/zinc/65/48/40/439654840.db2.gz XUKDUIAGALUPEU-AWEZNQCLSA-N 2 0 345.447 0.885 20 30 ECEDRP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000600714741 439694280 /nfs/dbraw/zinc/69/42/80/439694280.db2.gz CGEBEYPOXYJFQR-QGZVFWFLSA-N 2 0 333.432 1.000 20 30 ECEDRP C=CC[C@@]1(C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000662401739 441029773 /nfs/dbraw/zinc/02/97/73/441029773.db2.gz QYLNIWYAVGZWES-QAPCUYQASA-N 2 0 334.464 0.355 20 30 ECEDRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCCCC#N)C[C@H]1C[NH+](C)C ZINC000867590052 589811051 /nfs/dbraw/zinc/81/10/51/589811051.db2.gz VOHDAGJHNVBVGQ-HUUCEWRRSA-N 2 0 330.498 0.681 20 30 ECEDRP CC(C)[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104181489 591052988 /nfs/dbraw/zinc/05/29/88/591052988.db2.gz DSZLEWRAFPRUPQ-INIZCTEOSA-N 2 0 325.501 0.733 20 30 ECEDRP C[NH+]=C(NCC1CC[NH+](C)CC1)N[C@H]1CCc2nc(COC)nn2C1 ZINC000159128765 611453825 /nfs/dbraw/zinc/45/38/25/611453825.db2.gz JPUDZDBJNQZTAT-AWEZNQCLSA-N 2 0 349.483 0.246 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000925173804 608943502 /nfs/dbraw/zinc/94/35/02/608943502.db2.gz ZIHNKJCZFGBZQM-JKSUJKDBSA-N 2 0 336.505 0.963 20 30 ECEDRP C=C1[C@H](C(=O)NC2CC([NH+](C)C)C2)[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000908012617 609636662 /nfs/dbraw/zinc/63/66/62/609636662.db2.gz NYYWHKIXXDXXAR-FPHCHBCASA-N 2 0 334.464 0.206 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)CC1 ZINC000939808548 610136141 /nfs/dbraw/zinc/13/61/41/610136141.db2.gz 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330.432 0.769 20 30 ECEDRP N#Cc1ccc(CC[N@H+]2CC[C@@H](N3C(=O)O[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000866711956 589761778 /nfs/dbraw/zinc/76/17/78/589761778.db2.gz PBTFXZSOXKATMG-IXDOHACOSA-N 2 0 326.400 0.968 20 30 ECEDRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C#N)c1 ZINC000872446261 590117512 /nfs/dbraw/zinc/11/75/12/590117512.db2.gz BFOYHILMCRMDDY-UHFFFAOYSA-N 2 0 338.477 0.981 20 30 ECEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000876786715 590416090 /nfs/dbraw/zinc/41/60/90/590416090.db2.gz BMVJGYSJWIMFJZ-IHRRRGAJSA-N 2 0 342.871 0.563 20 30 ECEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1([NH+]3CCCC3)CCOCC1)C2 ZINC000884212592 590777041 /nfs/dbraw/zinc/77/70/41/590777041.db2.gz JDNQHYZATQMFIB-PQUAAJSLSA-N 2 0 346.475 0.887 20 30 ECEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000884614324 590872693 /nfs/dbraw/zinc/87/26/93/590872693.db2.gz KESDJBZCUULMHO-BBWFWOEESA-N 2 0 348.491 0.764 20 30 ECEDRP 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C#CC[NH+]1CCC(C(=O)N2CCC3(CC2)C[N@H+](CCO)CCO3)CC1 ZINC000949532079 612023369 /nfs/dbraw/zinc/02/33/69/612023369.db2.gz XEDKPUCBUTUFDJ-UHFFFAOYSA-N 2 0 349.475 0.017 20 30 ECEDRP CC1(C)CC[N@H+](CC(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001167236079 733082225 /nfs/dbraw/zinc/08/22/25/733082225.db2.gz HALJKGYYPFUQTQ-UHFFFAOYSA-N 2 0 349.479 0.234 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2CN([C@@H](C)C(=O)N(C)C)C2)CC1 ZINC000970919403 734087853 /nfs/dbraw/zinc/08/78/53/734087853.db2.gz DNEWTVUJDMQMFL-CABCVRRESA-N 2 0 348.491 0.245 20 30 ECEDRP C=CCC[N@@H+]1CCO[C@@]2(CCN(C(=O)CCN3CCOCC3)C2)C1 ZINC000972599667 737055933 /nfs/dbraw/zinc/05/59/33/737055933.db2.gz WINKHEVSXMNGEH-SFHVURJKSA-N 2 0 337.464 0.588 20 30 ECEDRP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001167736669 740815726 /nfs/dbraw/zinc/81/57/26/740815726.db2.gz FRTVJLPXUSPMKA-OAHLLOKOSA-N 2 0 336.480 0.507 20 30 ECEDRP C=CCOCC[NH2+]CC1(CCNC(=O)COCC[NH+](C)C)CC1 ZINC001167737672 740933853 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ZINC001267597352 837904387 /nfs/dbraw/zinc/90/43/87/837904387.db2.gz VXMAMBFRSDSPTL-INIZCTEOSA-N 2 0 348.491 0.200 20 30 ECEDRP C[C@H](CC[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000419991975 209270598 /nfs/dbraw/zinc/27/05/98/209270598.db2.gz JBWCQTZXKJMZPG-CQSZACIVSA-N 2 0 345.447 0.302 20 30 ECEDRP C[NH+](C)CCOCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000318571152 270005706 /nfs/dbraw/zinc/00/57/06/270005706.db2.gz FJYYSKUFYAVKDG-UHFFFAOYSA-N 2 0 325.434 0.500 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000076458581 436207379 /nfs/dbraw/zinc/20/73/79/436207379.db2.gz VDFIEIVNGDOSPG-MRXNPFEDSA-N 2 0 334.464 0.035 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cncc(C#N)c1 ZINC000558471304 302470966 /nfs/dbraw/zinc/47/09/66/302470966.db2.gz OTJXMEAMGGHEKB-UHFFFAOYSA-N 2 0 325.438 0.067 20 30 ECEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261932491 436896364 /nfs/dbraw/zinc/89/63/64/436896364.db2.gz BSOGTOUAYOXTDN-JKSUJKDBSA-N 2 0 344.463 0.110 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@H](Oc2ccccn2)C1 ZINC000261932488 436896704 /nfs/dbraw/zinc/89/67/04/436896704.db2.gz BSOGTOUAYOXTDN-CVEARBPZSA-N 2 0 344.463 0.110 20 30 ECEDRP C=CC[NH+]1CCC(NC(NC[C@@H]2CCc3nnc(C)n3C2)=[NH+]C)CC1 ZINC000262796512 436942498 /nfs/dbraw/zinc/94/24/98/436942498.db2.gz PMPQGNMJJJPEHH-HNNXBMFYSA-N 2 0 345.495 0.964 20 30 ECEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1ccc(F)cc1 ZINC000264106124 437017607 /nfs/dbraw/zinc/01/76/07/437017607.db2.gz PMBMAAHZNWYUFK-CABCVRRESA-N 2 0 338.427 0.954 20 30 ECEDRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264093747 437017621 /nfs/dbraw/zinc/01/76/21/437017621.db2.gz LXRKFLRZCQVCDA-OAHLLOKOSA-N 2 0 331.468 0.788 20 30 ECEDRP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[N@H+]2C)CC1 ZINC000330122148 437457076 /nfs/dbraw/zinc/45/70/76/437457076.db2.gz AABCFYPEXGUCHU-HUUCEWRRSA-N 2 0 337.468 0.233 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000343754283 437646767 /nfs/dbraw/zinc/64/67/67/437646767.db2.gz CKQCFPWZYYEVFN-CQSZACIVSA-N 2 0 338.496 0.846 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000343759714 437649058 /nfs/dbraw/zinc/64/90/58/437649058.db2.gz DHUVGFQLABSFGK-GDBMZVCRSA-N 2 0 334.464 0.306 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CCC)CCC[NH+](C)C)CC1 ZINC000343764493 437649110 /nfs/dbraw/zinc/64/91/10/437649110.db2.gz LNMZLLXDIYBYFV-UHFFFAOYSA-N 2 0 338.496 0.943 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000340478663 437656902 /nfs/dbraw/zinc/65/69/02/437656902.db2.gz CSUOXULUDDMUQC-DLBZAZTESA-N 2 0 348.491 0.886 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424487325 437955796 /nfs/dbraw/zinc/95/57/96/437955796.db2.gz AUEOTWOSXBKKEH-HNNXBMFYSA-N 2 0 348.491 0.744 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000419724018 438369983 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CCC(CC)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)[NH+](C)C ZINC000104161084 586333849 /nfs/dbraw/zinc/33/38/49/586333849.db2.gz CDLMZHXOHLRFJL-INIZCTEOSA-N 2 0 327.517 0.979 20 30 ECEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000852874615 589520932 /nfs/dbraw/zinc/52/09/32/589520932.db2.gz SKAIJCCZQVVZDU-IAGOWNOFSA-N 2 0 346.475 0.096 20 30 ECEDRP C[NH+]1CCN(c2cc(CNC(=O)C#CC3CC[NH2+]CC3)ccn2)CC1 ZINC000852873327 589521072 /nfs/dbraw/zinc/52/10/72/589521072.db2.gz RRKOIDNJENNAAT-UHFFFAOYSA-N 2 0 341.459 0.453 20 30 ECEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000876759009 590410469 /nfs/dbraw/zinc/41/04/69/590410469.db2.gz MWUPAURRCFZSDC-CYBMUJFWSA-N 2 0 330.860 0.515 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884214264 590777346 /nfs/dbraw/zinc/77/73/46/590777346.db2.gz XMRJGIGBHHXYLE-UHFFFAOYSA-N 2 0 329.448 0.871 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000884642099 590882028 /nfs/dbraw/zinc/88/20/28/590882028.db2.gz ANMVOANYDHGMMD-IBGZPJMESA-N 2 0 348.491 0.745 20 30 ECEDRP C#CCN(C(=O)C(=O)N(C)CCC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000910886886 609773878 /nfs/dbraw/zinc/77/38/78/609773878.db2.gz XEFMZAWWCJFMGK-UHFFFAOYSA-N 2 0 348.491 0.487 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@]3(C2)CCCC[NH2+]3)CC1 ZINC000911235861 609829711 /nfs/dbraw/zinc/82/97/11/609829711.db2.gz JOHJLCNPDIGJCK-GOSISDBHSA-N 2 0 334.464 0.498 20 30 ECEDRP CC[C@H](C(=O)N1CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H](C#N)C1)[NH+](C)C ZINC000912536399 609966667 /nfs/dbraw/zinc/96/66/67/609966667.db2.gz VAOWLVHDFBIUIS-RBSFLKMASA-N 2 0 337.468 0.230 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000939811798 610137343 /nfs/dbraw/zinc/13/73/43/610137343.db2.gz UQYSWIVMJHAEED-CRAIPNDOSA-N 2 0 343.475 0.702 20 30 ECEDRP C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000922021676 611331382 /nfs/dbraw/zinc/33/13/82/611331382.db2.gz BUMAARLCKFCTQO-UHFFFAOYSA-N 2 0 327.494 0.832 20 30 ECEDRP C[NH+]1C[C@H]2CN(CC#CCN3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000933732785 611745229 /nfs/dbraw/zinc/74/52/29/611745229.db2.gz BOHXQPRKACMOQA-JVSBHGNQSA-N 2 0 330.520 0.757 20 30 ECEDRP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CCO2 ZINC000949189555 611894566 /nfs/dbraw/zinc/89/45/66/611894566.db2.gz YWDRKSUOAAGNFL-SJORKVTESA-N 2 0 333.476 0.901 20 30 ECEDRP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001098561343 735494237 /nfs/dbraw/zinc/49/42/37/735494237.db2.gz ACFOSKMRPIPLLT-UHFFFAOYSA-N 2 0 339.480 0.570 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCc3ccnn3C)C2)CC1 ZINC000970792764 733943471 /nfs/dbraw/zinc/94/34/71/733943471.db2.gz VHQJGBRBWWROQX-QGZVFWFLSA-N 2 0 343.475 0.498 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](C[C@@H]3CCOC3)C2)CC1 ZINC000970919738 734089375 /nfs/dbraw/zinc/08/93/75/734089375.db2.gz FVEKRMJVKGBNEH-HOTGVXAUSA-N 2 0 333.476 0.805 20 30 ECEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261951071 734866570 /nfs/dbraw/zinc/86/65/70/734866570.db2.gz HJVAZEYBEAZMEI-SWLSCSKDSA-N 2 0 333.484 0.634 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]Cc3nnc(C)[nH]3)C2)CC1 ZINC001023128136 736523401 /nfs/dbraw/zinc/52/34/01/736523401.db2.gz QXXQXWFTUQHQTN-GASCZTMLSA-N 2 0 330.436 0.195 20 30 ECEDRP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001024560677 738107176 /nfs/dbraw/zinc/10/71/76/738107176.db2.gz HXESSOUBRRBMIZ-VZDIDWBNSA-N 2 0 331.460 0.844 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](CC[NH2+][C@H](C)C(N)=O)C2)CC1 ZINC001105062598 741268124 /nfs/dbraw/zinc/26/81/24/741268124.db2.gz ZEFQPFCCRQBDTK-BFYDXBDKSA-N 2 0 348.491 0.280 20 30 ECEDRP C=CCC[NH2+]Cc1cn(C2CN(C(=O)C3(C[NH+](C)C)CC3)C2)nn1 ZINC001105314170 741734639 /nfs/dbraw/zinc/73/46/39/741734639.db2.gz NKQHVLCXRNWEJI-UHFFFAOYSA-N 2 0 332.452 0.669 20 30 ECEDRP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000974826148 742225226 /nfs/dbraw/zinc/22/52/26/742225226.db2.gz NPIUJHADHRAABH-YJTLQXIOSA-N 2 0 331.460 0.700 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC000997006399 743119480 /nfs/dbraw/zinc/11/94/80/743119480.db2.gz LXCOBIXSGDXQGI-WBVHZDCISA-N 2 0 348.491 0.696 20 30 ECEDRP C[NH+]=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261957685 743139287 /nfs/dbraw/zinc/13/92/87/743139287.db2.gz JHKDUOJGVUTLPZ-CYBMUJFWSA-N 2 0 342.509 0.555 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027218048 743195335 /nfs/dbraw/zinc/19/53/35/743195335.db2.gz WQTVDXXFWZLWOQ-HOTGVXAUSA-N 2 0 334.464 0.307 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)C1=O ZINC001027218050 743195799 /nfs/dbraw/zinc/19/57/99/743195799.db2.gz WQTVDXXFWZLWOQ-JKSUJKDBSA-N 2 0 334.464 0.307 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC001027233541 743244235 /nfs/dbraw/zinc/24/42/35/743244235.db2.gz DPZSRAZLMPTUIP-MRXNPFEDSA-N 2 0 341.459 0.760 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3nnc(C)o3)C2)CC1 ZINC001027234021 743245807 /nfs/dbraw/zinc/24/58/07/743245807.db2.gz OFSJEYRFLVSOFB-OAHLLOKOSA-N 2 0 345.447 0.661 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]Cc3ncnn3C)C2)CC1 ZINC001027234518 743247218 /nfs/dbraw/zinc/24/72/18/743247218.db2.gz YKLPOEBDMPXVHS-OAHLLOKOSA-N 2 0 344.463 0.098 20 30 ECEDRP [NH2+]=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000262007679 743387854 /nfs/dbraw/zinc/38/78/54/743387854.db2.gz SBSYCMAPXRWZCL-AWEZNQCLSA-N 2 0 329.452 0.398 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)C1=O ZINC000999373166 744663696 /nfs/dbraw/zinc/66/36/96/744663696.db2.gz FQHITJOCVPVYJN-NVXWUHKLSA-N 2 0 348.491 0.838 20 30 ECEDRP C=CCN1CC[C@H]([NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000999702287 744853522 /nfs/dbraw/zinc/85/35/22/744853522.db2.gz ALAAIIUMBGCSFU-GPANFISMSA-N 2 0 346.475 0.448 20 30 ECEDRP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)nn2)C1 ZINC000999985385 745138169 /nfs/dbraw/zinc/13/81/69/745138169.db2.gz BNCQYBXLFUKDNB-FVQBIDKESA-N 2 0 332.452 0.667 20 30 ECEDRP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C34CC[NH+](CC3)C4)nn2)C1 ZINC001000032978 745207083 /nfs/dbraw/zinc/20/70/83/745207083.db2.gz AZUJIXGWPHRJHU-HNNXBMFYSA-N 2 0 330.436 0.423 20 30 ECEDRP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)C3)nn2)C1 ZINC001000045847 745226407 /nfs/dbraw/zinc/22/64/07/745226407.db2.gz RDRQQJDNNBBILK-GOEBONIOSA-N 2 0 332.452 0.669 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]C[C@H]3CCOC3)C2)CC1 ZINC001000992960 745958261 /nfs/dbraw/zinc/95/82/61/745958261.db2.gz OSXAZERRFOTLNC-AEFFLSMTSA-N 2 0 333.476 0.949 20 30 ECEDRP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978172896 746008065 /nfs/dbraw/zinc/00/80/65/746008065.db2.gz CNBUVLQZZMHQOL-PHZGNYQRSA-N 2 0 329.448 0.376 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC001001231625 746190969 /nfs/dbraw/zinc/19/09/69/746190969.db2.gz YXANFAVPDGKAQV-QGZVFWFLSA-N 2 0 346.475 0.000 20 30 ECEDRP C#CCC[NH2+]Cc1cn(C2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105361142 752084626 /nfs/dbraw/zinc/08/46/26/752084626.db2.gz RRRISIAMJUKVCO-CQSZACIVSA-N 2 0 330.436 0.116 20 30 ECEDRP C[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262424560 747490605 /nfs/dbraw/zinc/49/06/05/747490605.db2.gz RKVLGABOWZQAOX-GDBMZVCRSA-N 2 0 326.510 0.848 20 30 ECEDRP C#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000985550976 748465411 /nfs/dbraw/zinc/46/54/11/748465411.db2.gz WZWXJOUMHLFVKN-MSOLQXFVSA-N 2 0 349.475 0.422 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)C1=O ZINC001003626110 748739539 /nfs/dbraw/zinc/73/95/39/748739539.db2.gz MGDUHDFJPWNKKO-WBVHZDCISA-N 2 0 348.491 0.696 20 30 ECEDRP C=CCN1CC[C@H]([NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)C1=O ZINC001003626109 748739776 /nfs/dbraw/zinc/73/97/76/748739776.db2.gz MGDUHDFJPWNKKO-RDJZCZTQSA-N 2 0 348.491 0.696 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)Cc3cnn(C)c3)C2)CC1 ZINC000980477191 749629012 /nfs/dbraw/zinc/62/90/12/749629012.db2.gz CJFOEADJNFLOMS-SFHVURJKSA-N 2 0 343.475 0.798 20 30 ECEDRP C[NH+]=C(NCc1cnc(N(C)C)n1C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262793926 749777019 /nfs/dbraw/zinc/77/70/19/749777019.db2.gz OUGPKZPAYQNYRM-CHWSQXEVSA-N 2 0 333.484 0.776 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001168162679 750402265 /nfs/dbraw/zinc/40/22/65/750402265.db2.gz QNEWRIMCGCBVTJ-OAHLLOKOSA-N 2 0 334.464 0.096 20 30 ECEDRP CC#CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740716 750577487 /nfs/dbraw/zinc/57/74/87/750577487.db2.gz HARODCKLZHCMDM-URSIVYNOSA-N 2 0 331.460 0.796 20 30 ECEDRP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833679 757138061 /nfs/dbraw/zinc/13/80/61/757138061.db2.gz RRQTZZHAGOAPNQ-XUWVNRHRSA-N 2 0 339.867 0.992 20 30 ECEDRP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CCC[N@H+]3CCC)C2)C1=O ZINC001022163930 758363376 /nfs/dbraw/zinc/36/33/76/758363376.db2.gz BYSWQOJGNYEXPN-VVLHAWIVSA-N 2 0 348.491 0.885 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+][C@H]3CCNC3=O)C(C)(C)C2)CC1 ZINC000996675358 758442753 /nfs/dbraw/zinc/44/27/53/758442753.db2.gz XXCHODGPRKQWHM-JKSUJKDBSA-N 2 0 346.475 0.047 20 30 ECEDRP O=C(NCC[NH2+]CC#Cc1ccccc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779485 758622866 /nfs/dbraw/zinc/62/28/66/758622866.db2.gz MIKUMMGQBPHGPL-MSOLQXFVSA-N 2 0 327.428 0.607 20 30 ECEDRP C#CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001054240901 767853049 /nfs/dbraw/zinc/85/30/49/767853049.db2.gz FYBHHYBHLWASRG-HKUYNNGSSA-N 2 0 333.476 0.902 20 30 ECEDRP C[NH+]=C(NC[C@H](C1CC1)[NH+](C)C)N1CCN(C(=O)c2ccco2)CC1 ZINC000073187973 760323908 /nfs/dbraw/zinc/32/39/08/760323908.db2.gz YVJBUGJAFCCRKG-OAHLLOKOSA-N 2 0 347.463 0.953 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCn3cccn3)C2)CC1 ZINC001046849473 763227463 /nfs/dbraw/zinc/22/74/63/763227463.db2.gz FWVOLMRZCPXRKW-IBGZPJMESA-N 2 0 343.475 0.809 20 30 ECEDRP N#Cc1ccc(C[NH2+]C[C@@H]2CN(C(=O)C[NH+]3CCCC3)CCO2)cc1 ZINC001051935886 763386293 /nfs/dbraw/zinc/38/62/93/763386293.db2.gz ZEVNDBWPKJARRD-GOSISDBHSA-N 2 0 342.443 0.971 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)CC1 ZINC000940544153 763402870 /nfs/dbraw/zinc/40/28/70/763402870.db2.gz YMUHPSHSHOXSAL-QGZVFWFLSA-N 2 0 346.475 0.145 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CCO[C@H](C[NH2+]CC3CCC3)C2)CC1 ZINC001051943705 763409354 /nfs/dbraw/zinc/40/93/54/763409354.db2.gz ODVUCLSTGAKCDD-GOSISDBHSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001052077713 763787314 /nfs/dbraw/zinc/78/73/14/763787314.db2.gz UPQIDSXEOKPNOB-QZTJIDSGSA-N 2 0 334.508 0.814 20 30 ECEDRP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)C2)CC1 ZINC001052081358 763797499 /nfs/dbraw/zinc/79/74/99/763797499.db2.gz AETWYRYKTIYURO-ROUUACIJSA-N 2 0 332.492 0.713 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001016337533 766144954 /nfs/dbraw/zinc/14/49/54/766144954.db2.gz RKRDFGPBOOVVDK-SJLPKXTDSA-N 2 0 333.476 0.949 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H](n3cc(C[NH2+]CC)nn3)C2)CC1 ZINC001089593662 766575351 /nfs/dbraw/zinc/57/53/51/766575351.db2.gz PXEIKBSIQGJWBG-KRWDZBQOSA-N 2 0 344.463 0.506 20 30 ECEDRP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001046030171 766696624 /nfs/dbraw/zinc/69/66/24/766696624.db2.gz KZDHAEOMOGXYNU-QZTJIDSGSA-N 2 0 332.492 0.733 20 30 ECEDRP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC001046069994 766871479 /nfs/dbraw/zinc/87/14/79/766871479.db2.gz LBPYURCGDOPNPT-GOSISDBHSA-N 2 0 332.492 0.570 20 30 ECEDRP C#CCC[N@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046075940 766899250 /nfs/dbraw/zinc/89/92/50/766899250.db2.gz IPWDFNWIIGGAGU-QGZVFWFLSA-N 2 0 330.476 0.324 20 30 ECEDRP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)C1 ZINC001046085163 766926330 /nfs/dbraw/zinc/92/63/30/766926330.db2.gz NAFVKVDXMNUVTQ-ROUUACIJSA-N 2 0 332.492 0.713 20 30 ECEDRP CN1CCO[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(C#N)c3)C2)C1 ZINC001046219936 767087437 /nfs/dbraw/zinc/08/74/37/767087437.db2.gz QYGOJLKMTHRODG-HKUYNNGSSA-N 2 0 342.443 0.969 20 30 ECEDRP CC[N@H+](C)CCC(=O)NCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC001055642858 769331425 /nfs/dbraw/zinc/33/14/25/769331425.db2.gz PBXMQPHRDIPKAH-CQSZACIVSA-N 2 0 337.468 0.185 20 30 ECEDRP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070194580 783632450 /nfs/dbraw/zinc/63/24/50/783632450.db2.gz CUGWAXYLGXKEEB-OAGGEKHMSA-N 2 0 330.436 0.147 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C[C@@H]1n1ccnn1 ZINC001070332702 783840886 /nfs/dbraw/zinc/84/08/86/783840886.db2.gz QSMTYSOBQVUBSG-IXDOHACOSA-N 2 0 344.463 0.373 20 30 ECEDRP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001070367530 783902947 /nfs/dbraw/zinc/90/29/47/783902947.db2.gz ZJUDQHNLBMWJEX-RYRKJORJSA-N 2 0 348.491 0.742 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1c1cn(C)cn1 ZINC001070493264 784187072 /nfs/dbraw/zinc/18/70/72/784187072.db2.gz RDWDAGXNWGZQMO-SOLBZPMBSA-N 2 0 341.459 0.279 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1c1cn(C)cn1 ZINC001070501044 784198101 /nfs/dbraw/zinc/19/81/01/784198101.db2.gz WKDNMKMBRAVPOD-DOTOQJQBSA-N 2 0 329.448 0.422 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070534729 784239551 /nfs/dbraw/zinc/23/95/51/784239551.db2.gz LELCVFMHXRJZJT-HLLBOEOZSA-N 2 0 329.448 0.279 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1c1cn(C)cn1 ZINC001070555811 784268765 /nfs/dbraw/zinc/26/87/65/784268765.db2.gz UTEOHYLLVSLDCM-GOEBONIOSA-N 2 0 327.432 0.033 20 30 ECEDRP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1c1cncn1C ZINC001070688863 784554146 /nfs/dbraw/zinc/55/41/46/784554146.db2.gz VXYBEHUOHSVTEQ-HZPDHXFCSA-N 2 0 343.475 0.669 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1cncn1C ZINC001070717877 784591993 /nfs/dbraw/zinc/59/19/93/784591993.db2.gz ACWRFBGSXPSPAZ-BZUAXINKSA-N 2 0 331.464 0.832 20 30 ECEDRP C=C(C)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1c1cncn1C ZINC001070718601 784592877 /nfs/dbraw/zinc/59/28/77/784592877.db2.gz BRIAKZOEDJWQBG-HZPDHXFCSA-N 2 0 331.464 0.976 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001071259220 784869005 /nfs/dbraw/zinc/86/90/05/784869005.db2.gz CIXQEJRSBBJSAX-QGZVFWFLSA-N 2 0 348.491 0.391 20 30 ECEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267531320 837704491 /nfs/dbraw/zinc/70/44/91/837704491.db2.gz QBEVXTGXMOCYBX-HOTGVXAUSA-N 2 0 349.479 0.327 20 30 ECEDRP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267569387 837794655 /nfs/dbraw/zinc/79/46/55/837794655.db2.gz UHSPCXJAQBPGKV-JKSUJKDBSA-N 2 0 346.475 0.048 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266545649 835966484 /nfs/dbraw/zinc/96/64/84/835966484.db2.gz YLYUWGROYWMLLT-FZKCQIBNSA-N 2 0 334.464 0.045 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001266545650 835966806 /nfs/dbraw/zinc/96/68/06/835966806.db2.gz YLYUWGROYWMLLT-VGWMRTNUSA-N 2 0 334.464 0.045 20 30 ECEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266620391 836057481 /nfs/dbraw/zinc/05/74/81/836057481.db2.gz VOQCBJJSMMFNBM-RBSFLKMASA-N 2 0 338.496 0.892 20 30 ECEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC3CC3)C2)CC1 ZINC001266639852 836076237 /nfs/dbraw/zinc/07/62/37/836076237.db2.gz JKDUQVJCCKBWQQ-QAQDUYKDSA-N 2 0 346.475 0.095 20 30 ECEDRP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC001266731096 836211036 /nfs/dbraw/zinc/21/10/36/836211036.db2.gz QXFSGNSRXHTIKW-JKSUJKDBSA-N 2 0 336.480 0.696 20 30 ECEDRP C#CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001266898359 836450020 /nfs/dbraw/zinc/45/00/20/836450020.db2.gz VHBOGSLSUPITQO-HOTGVXAUSA-N 2 0 334.464 0.048 20 30 ECEDRP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266901030 836454150 /nfs/dbraw/zinc/45/41/50/836454150.db2.gz IIUNMSZKWHYZLW-FIDHJVLJSA-N 2 0 346.475 0.044 20 30 ECEDRP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001267585773 837860954 /nfs/dbraw/zinc/86/09/54/837860954.db2.gz CEMSTMCDXYORBS-INIZCTEOSA-N 2 0 346.475 0.145 20 30 ECEDRP C#CCNC(=O)[C@@H](C)N1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001267768675 838508674 /nfs/dbraw/zinc/50/86/74/838508674.db2.gz QNDKZWUTXXYYPU-HZPDHXFCSA-N 2 0 348.491 0.531 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NCC2CC2)C1 ZINC001279242807 838615357 /nfs/dbraw/zinc/61/53/57/838615357.db2.gz ZCQPGPFKFAEGCX-JCYILVPMSA-N 2 0 346.475 0.189 20 30 ECEDRP C=CCNC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267928251 838807049 /nfs/dbraw/zinc/80/70/49/838807049.db2.gz DQXUQCLPNFCBOJ-WKILWMFISA-N 2 0 348.491 0.934 20 30 ECEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001267971117 838893001 /nfs/dbraw/zinc/89/30/01/838893001.db2.gz ZMUQZQYDPIICQA-QGZVFWFLSA-N 2 0 348.491 0.583 20 30 ECEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267999524 838949152 /nfs/dbraw/zinc/94/91/52/838949152.db2.gz QRWNTWWJTREWMN-HUUCEWRRSA-N 2 0 336.480 0.341 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000340215832 437604293 /nfs/dbraw/zinc/60/42/93/437604293.db2.gz VMWPGQAAWHYZJY-OAHLLOKOSA-N 2 0 336.480 0.601 20 30 ECEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CC[C@H](Oc2ccccn2)C1 ZINC000261934254 436897988 /nfs/dbraw/zinc/89/79/88/436897988.db2.gz CCOUAROKFGMFEF-CVEARBPZSA-N 2 0 346.479 0.356 20 30 ECEDRP COCCNC(=[NH2+])NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000264092834 437017129 /nfs/dbraw/zinc/01/71/29/437017129.db2.gz LLWORXAINFJKBT-UHFFFAOYSA-N 2 0 333.480 0.745 20 30 ECEDRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@H+](C)CCN2C)cc1OC ZINC000267452619 437327627 /nfs/dbraw/zinc/32/76/27/437327627.db2.gz RVNHJJGWLJGSNT-OAHLLOKOSA-N 2 0 349.479 0.396 20 30 ECEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000343757531 437646824 /nfs/dbraw/zinc/64/68/24/437646824.db2.gz GHELJHKKONIQIE-ZBFHGGJFSA-N 2 0 336.480 0.742 20 30 ECEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000343759716 437648402 /nfs/dbraw/zinc/64/84/02/437648402.db2.gz DHUVGFQLABSFGK-HOCLYGCPSA-N 2 0 334.464 0.306 20 30 ECEDRP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H]2CNc3c(C#N)cnn3C2)CC1 ZINC000567498632 439148009 /nfs/dbraw/zinc/14/80/09/439148009.db2.gz HWMDUAFDYJJHKO-ZBFHGGJFSA-N 2 0 332.452 0.479 20 30 ECEDRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cn2)CC1 ZINC000581723740 439247243 /nfs/dbraw/zinc/24/72/43/439247243.db2.gz UKGXTQNKEYPBCZ-MRXNPFEDSA-N 2 0 344.463 0.861 20 30 ECEDRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccsc1C#N ZINC000593543314 439398043 /nfs/dbraw/zinc/39/80/43/439398043.db2.gz PTKRTZKSZYUXNX-UHFFFAOYSA-N 2 0 330.479 0.734 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000491427910 439382709 /nfs/dbraw/zinc/38/27/09/439382709.db2.gz MMJUVASIEYYYNS-DLBZAZTESA-N 2 0 336.480 0.869 20 30 ECEDRP C=CC[C@]1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC[NH2+]1 ZINC000662760648 439880716 /nfs/dbraw/zinc/88/07/16/439880716.db2.gz HWETXRMIYJBVPY-TXPKVOOTSA-N 2 0 348.491 0.792 20 30 ECEDRP Cc1ncc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C#N ZINC000564516156 322378405 /nfs/dbraw/zinc/37/84/05/322378405.db2.gz PVXKXPWVOKNLHL-UHFFFAOYSA-N 2 0 339.465 0.376 20 30 ECEDRP C=CCN(CC=C)C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867279024 589003551 /nfs/dbraw/zinc/00/35/51/589003551.db2.gz PPBBKRPXHBLRTK-HZPDHXFCSA-N 2 0 336.480 0.385 20 30 ECEDRP C=CCN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903722285 586801547 /nfs/dbraw/zinc/80/15/47/586801547.db2.gz KDCPLWWHFAVUAF-CABCVRRESA-N 2 0 328.478 0.820 20 30 ECEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846166795 589189742 /nfs/dbraw/zinc/18/97/42/589189742.db2.gz CUWHQPIKDZYCIJ-BBWFWOEESA-N 2 0 336.480 0.869 20 30 ECEDRP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)C[NH+]1CCCC1 ZINC000849093324 589319740 /nfs/dbraw/zinc/31/97/40/589319740.db2.gz MJJYVECWXFDGOJ-UHFFFAOYSA-N 2 0 325.501 0.606 20 30 ECEDRP C[C@@H](CC#N)N(C)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589002 589810867 /nfs/dbraw/zinc/81/08/67/589810867.db2.gz AZKOYXLXLTYAQV-RRFJBIMHSA-N 2 0 345.513 0.136 20 30 ECEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000104174712 591053290 /nfs/dbraw/zinc/05/32/90/591053290.db2.gz PLFPUTSUIXDMHD-DLBZAZTESA-N 3 0 338.544 0.649 20 30 ECEDRP C#CCN(C(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000910886029 609773714 /nfs/dbraw/zinc/77/37/14/609773714.db2.gz JEIBBLAXOSRWGB-RDJZCZTQSA-N 2 0 346.475 0.095 20 30 ECEDRP C#CCN1CCC[C@H]1C(=O)N1CCCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000941464907 610333806 /nfs/dbraw/zinc/33/38/06/610333806.db2.gz BVFHTULZCSCTQP-SJORKVTESA-N 2 0 348.491 0.485 20 30 ECEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058432 610636494 /nfs/dbraw/zinc/63/64/94/610636494.db2.gz XTYCLRRAZGGNIJ-HOTGVXAUSA-N 2 0 331.464 0.908 20 30 ECEDRP CC#CCN1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408360 610722546 /nfs/dbraw/zinc/72/25/46/610722546.db2.gz CEAQNXUZDCLATR-ROUUACIJSA-N 2 0 344.503 0.713 20 30 ECEDRP C#CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000923321193 611229389 /nfs/dbraw/zinc/22/93/89/611229389.db2.gz DDFDPSYSTXYKQD-KRWDZBQOSA-N 2 0 334.464 0.637 20 30 ECEDRP C#CCN(C(=O)C(=O)NCC[NH+]1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC000929402604 611752249 /nfs/dbraw/zinc/75/22/49/611752249.db2.gz OUHINOSNQAKFNV-UHFFFAOYSA-N 2 0 348.491 0.391 20 30 ECEDRP