smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@@H]2C1 ZINC001164850142 720849352 /nfs/dbraw/zinc/84/93/52/720849352.db2.gz DMNDERRXXJBIEQ-QUCCMNQESA-N 2 2 366.465 2.280 20 30 FEEDLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@@H]2C1 ZINC001164850142 720849353 /nfs/dbraw/zinc/84/93/53/720849353.db2.gz DMNDERRXXJBIEQ-QUCCMNQESA-N 2 2 366.465 2.280 20 30 FEEDLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc(C#N)c1 ZINC000026331415 539783959 /nfs/dbraw/zinc/78/39/59/539783959.db2.gz KZFRCSZOVVOFQR-UHFFFAOYSA-N 2 2 363.465 2.124 20 30 FEEDLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc(C#N)c1 ZINC000026331415 539783962 /nfs/dbraw/zinc/78/39/62/539783962.db2.gz KZFRCSZOVVOFQR-UHFFFAOYSA-N 2 2 363.465 2.124 20 30 FEEDLP C=C(C)CSc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000044172265 540119334 /nfs/dbraw/zinc/11/93/34/540119334.db2.gz NVIKGKPRGHBXGC-OAHLLOKOSA-N 2 2 353.536 2.291 20 30 FEEDLP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000046382098 540254699 /nfs/dbraw/zinc/25/46/99/540254699.db2.gz UADBZADUXNWYGV-SFHVURJKSA-N 2 2 369.513 2.117 20 30 FEEDLP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000046382098 540254703 /nfs/dbraw/zinc/25/47/03/540254703.db2.gz UADBZADUXNWYGV-SFHVURJKSA-N 2 2 369.513 2.117 20 30 FEEDLP CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124880011 543848715 /nfs/dbraw/zinc/84/87/15/543848715.db2.gz MJQFWMQVBKYOOH-UXHICEINSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124880011 543848716 /nfs/dbraw/zinc/84/87/16/543848716.db2.gz MJQFWMQVBKYOOH-UXHICEINSA-N 2 2 369.513 2.362 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)cc3C#N)CC2)CC1 ZINC000120246929 326243851 /nfs/dbraw/zinc/24/38/51/326243851.db2.gz XTCJBQHXAZOXDQ-UHFFFAOYSA-N 2 2 359.449 2.377 20 30 FEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000265853489 329166565 /nfs/dbraw/zinc/16/65/65/329166565.db2.gz QNBOXWLMEPCVLG-IBGZPJMESA-N 2 2 372.513 2.048 20 30 FEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000265853489 329166566 /nfs/dbraw/zinc/16/65/66/329166566.db2.gz QNBOXWLMEPCVLG-IBGZPJMESA-N 2 2 372.513 2.048 20 30 FEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000265853492 329166592 /nfs/dbraw/zinc/16/65/92/329166592.db2.gz QNBOXWLMEPCVLG-LJQANCHMSA-N 2 2 372.513 2.048 20 30 FEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000265853492 329166594 /nfs/dbraw/zinc/16/65/94/329166594.db2.gz QNBOXWLMEPCVLG-LJQANCHMSA-N 2 2 372.513 2.048 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)CC1 ZINC000176509908 546455516 /nfs/dbraw/zinc/45/55/16/546455516.db2.gz MJNPBPOXKQITAY-UHFFFAOYSA-N 2 2 364.493 2.477 20 30 FEEDLP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000481662108 561238112 /nfs/dbraw/zinc/23/81/12/561238112.db2.gz UUQAWIHBGVDXST-QFIPXVFZSA-N 2 2 370.541 2.305 20 30 FEEDLP CN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178928925 546874794 /nfs/dbraw/zinc/87/47/94/546874794.db2.gz YQJQQWQXPIQEQS-RTBURBONSA-N 2 2 371.529 2.306 20 30 FEEDLP CN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178928925 546874796 /nfs/dbraw/zinc/87/47/96/546874796.db2.gz YQJQQWQXPIQEQS-RTBURBONSA-N 2 2 371.529 2.306 20 30 FEEDLP C=CCN(Cc1cccc(C#N)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179315226 546929543 /nfs/dbraw/zinc/92/95/43/546929543.db2.gz QZZCWOVXFXLXHO-UHFFFAOYSA-N 2 2 369.513 2.282 20 30 FEEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246625250 549178051 /nfs/dbraw/zinc/17/80/51/549178051.db2.gz NPPCDYAULFLIFR-FPOVZHCZSA-N 2 2 374.525 2.199 20 30 FEEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246625250 549178055 /nfs/dbraw/zinc/17/80/55/549178055.db2.gz NPPCDYAULFLIFR-FPOVZHCZSA-N 2 2 374.525 2.199 20 30 FEEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)n1C ZINC000267388682 550030407 /nfs/dbraw/zinc/03/04/07/550030407.db2.gz CHVSMCFDZVQGSX-UHFFFAOYSA-N 2 2 356.352 2.312 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000275009373 550570030 /nfs/dbraw/zinc/57/00/30/550570030.db2.gz DWZXJZWESUEBGL-ROUUACIJSA-N 2 2 355.486 2.061 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000275009373 550570031 /nfs/dbraw/zinc/57/00/31/550570031.db2.gz DWZXJZWESUEBGL-ROUUACIJSA-N 2 2 355.486 2.061 20 30 FEEDLP C(#CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000284235141 551506413 /nfs/dbraw/zinc/50/64/13/551506413.db2.gz VICFPGGLNMAGOE-ROUUACIJSA-N 4 2 352.486 2.195 20 30 FEEDLP C(#CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000284235141 551506414 /nfs/dbraw/zinc/50/64/14/551506414.db2.gz VICFPGGLNMAGOE-ROUUACIJSA-N 4 2 352.486 2.195 20 30 FEEDLP O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000328774648 553820195 /nfs/dbraw/zinc/82/01/95/553820195.db2.gz KJIUWMUUOKHTKL-SFHVURJKSA-N 2 2 373.501 2.164 20 30 FEEDLP O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000328774648 553820196 /nfs/dbraw/zinc/82/01/96/553820196.db2.gz KJIUWMUUOKHTKL-SFHVURJKSA-N 2 2 373.501 2.164 20 30 FEEDLP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000328824103 553828347 /nfs/dbraw/zinc/82/83/47/553828347.db2.gz RJPNHDBPEPEVQA-IBGZPJMESA-N 2 2 372.538 2.030 20 30 FEEDLP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000328824103 553828349 /nfs/dbraw/zinc/82/83/49/553828349.db2.gz RJPNHDBPEPEVQA-IBGZPJMESA-N 2 2 372.538 2.030 20 30 FEEDLP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000328824103 553828351 /nfs/dbraw/zinc/82/83/51/553828351.db2.gz RJPNHDBPEPEVQA-IBGZPJMESA-N 2 2 372.538 2.030 20 30 FEEDLP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@H]1CCSC1 ZINC000328824103 553828353 /nfs/dbraw/zinc/82/83/53/553828353.db2.gz RJPNHDBPEPEVQA-IBGZPJMESA-N 2 2 372.538 2.030 20 30 FEEDLP Cn1ccnc1C[NH+]1CCC(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1 ZINC000328844912 553831900 /nfs/dbraw/zinc/83/19/00/553831900.db2.gz QCJDJWXFUZIOCY-UHFFFAOYSA-N 2 2 356.474 2.322 20 30 FEEDLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC[N@@H+]1C ZINC000329550309 553966342 /nfs/dbraw/zinc/96/63/42/553966342.db2.gz FMWWPIZPESQAET-VGWMRTNUSA-N 2 2 351.470 2.019 20 30 FEEDLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC[N@H+]1C ZINC000329550309 553966346 /nfs/dbraw/zinc/96/63/46/553966346.db2.gz FMWWPIZPESQAET-VGWMRTNUSA-N 2 2 351.470 2.019 20 30 FEEDLP C[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@@H]1n1cc[nH+]c1 ZINC000329948900 554037443 /nfs/dbraw/zinc/03/74/43/554037443.db2.gz LBOSZADNHWFZDR-HLLBOEOZSA-N 2 2 351.520 2.117 20 30 FEEDLP CCN1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329956035 554038648 /nfs/dbraw/zinc/03/86/48/554038648.db2.gz KZXPLBSAFHJCAR-BBWFWOEESA-N 2 2 362.522 2.123 20 30 FEEDLP C[C@H]1[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOC1(C)C ZINC000330094988 554063370 /nfs/dbraw/zinc/06/33/70/554063370.db2.gz URZDIWBBLWFKOG-QGZVFWFLSA-N 2 2 367.534 2.477 20 30 FEEDLP C[C@H]1[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOC1(C)C ZINC000330094988 554063371 /nfs/dbraw/zinc/06/33/71/554063371.db2.gz URZDIWBBLWFKOG-QGZVFWFLSA-N 2 2 367.534 2.477 20 30 FEEDLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000330240273 554091400 /nfs/dbraw/zinc/09/14/00/554091400.db2.gz FDURMAGELFUHIW-UHFFFAOYSA-N 2 2 365.522 2.239 20 30 FEEDLP CC[C@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@H]1[NH+]1CCOCC1 ZINC000330269824 554096737 /nfs/dbraw/zinc/09/67/37/554096737.db2.gz SKWIEJZMNJVBLE-DOTOQJQBSA-N 2 2 357.458 2.231 20 30 FEEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000330289812 554100134 /nfs/dbraw/zinc/10/01/34/554100134.db2.gz FGMNVEKYQRWJQE-KRWDZBQOSA-N 2 2 373.501 2.332 20 30 FEEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000330332379 554106938 /nfs/dbraw/zinc/10/69/38/554106938.db2.gz OUUZQFFDVRRUNH-RDJZCZTQSA-N 2 2 363.506 2.408 20 30 FEEDLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000510905665 561850225 /nfs/dbraw/zinc/85/02/25/561850225.db2.gz RJJYUEQUNWRPEO-KRWDZBQOSA-N 2 2 372.488 2.483 20 30 FEEDLP CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362834308 554991744 /nfs/dbraw/zinc/99/17/44/554991744.db2.gz KTFASYJTFBYZCC-HNNXBMFYSA-N 2 2 362.424 2.077 20 30 FEEDLP CN(C(=O)c1c(F)cc(C#N)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362834308 554991745 /nfs/dbraw/zinc/99/17/45/554991745.db2.gz KTFASYJTFBYZCC-HNNXBMFYSA-N 2 2 362.424 2.077 20 30 FEEDLP C[NH+]1CCC(CNC(=O)c2ccc(F)c(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000367400562 556038551 /nfs/dbraw/zinc/03/85/51/556038551.db2.gz WEJHRGIMYQOCBE-UHFFFAOYSA-N 2 2 358.461 2.377 20 30 FEEDLP CN(C(=O)/C=C/c1cccc(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370818966 556977799 /nfs/dbraw/zinc/97/77/99/556977799.db2.gz IPVPHWYGGPDIRG-YJJPMGAVSA-N 2 2 352.482 2.198 20 30 FEEDLP CN(C(=O)/C=C/c1cccc(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370818966 556977801 /nfs/dbraw/zinc/97/78/01/556977801.db2.gz IPVPHWYGGPDIRG-YJJPMGAVSA-N 2 2 352.482 2.198 20 30 FEEDLP CN(C(=O)/C=C/c1cccc(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370818965 556977906 /nfs/dbraw/zinc/97/79/06/556977906.db2.gz IPVPHWYGGPDIRG-ROUKRRSUSA-N 2 2 352.482 2.198 20 30 FEEDLP CN(C(=O)/C=C/c1cccc(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370818965 556977909 /nfs/dbraw/zinc/97/79/09/556977909.db2.gz IPVPHWYGGPDIRG-ROUKRRSUSA-N 2 2 352.482 2.198 20 30 FEEDLP C[C@@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376810609 558224361 /nfs/dbraw/zinc/22/43/61/558224361.db2.gz JPCXFRLDHKBAHI-MRXNPFEDSA-N 2 2 355.486 2.385 20 30 FEEDLP C[N@H+](CCC#N)C[C@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000414125128 559150191 /nfs/dbraw/zinc/15/01/91/559150191.db2.gz MEGZKMJFJZULNH-SFHVURJKSA-N 2 2 354.454 2.472 20 30 FEEDLP C[N@@H+](CCC#N)C[C@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000414125128 559150192 /nfs/dbraw/zinc/15/01/92/559150192.db2.gz MEGZKMJFJZULNH-SFHVURJKSA-N 2 2 354.454 2.472 20 30 FEEDLP CC(C)(CNC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000433011241 559869877 /nfs/dbraw/zinc/86/98/77/559869877.db2.gz NLVBTTHQQXAFLR-LJQANCHMSA-N 2 2 372.513 2.238 20 30 FEEDLP C=C(C)C[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000470907904 560993586 /nfs/dbraw/zinc/99/35/86/560993586.db2.gz FUERPOUXLVUOJO-UHFFFAOYSA-N 2 2 359.514 2.292 20 30 FEEDLP C=C(C)C[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)Cc1ccccc1 ZINC000470907904 560993587 /nfs/dbraw/zinc/99/35/87/560993587.db2.gz FUERPOUXLVUOJO-UHFFFAOYSA-N 2 2 359.514 2.292 20 30 FEEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601970135 567890464 /nfs/dbraw/zinc/89/04/64/567890464.db2.gz YJAZOXBBRFSJLG-RTWAWAEBSA-N 2 2 358.530 2.227 20 30 FEEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601970135 567890466 /nfs/dbraw/zinc/89/04/66/567890466.db2.gz YJAZOXBBRFSJLG-RTWAWAEBSA-N 2 2 358.530 2.227 20 30 FEEDLP N#CCCCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737687031 598355358 /nfs/dbraw/zinc/35/53/58/598355358.db2.gz GLJASULRXNQRDF-UHFFFAOYSA-N 2 2 362.441 2.231 20 30 FEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000815652400 674963846 /nfs/dbraw/zinc/96/38/46/674963846.db2.gz ATHAXBWDGCSCGK-INIZCTEOSA-N 2 2 371.934 2.244 20 30 FEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000815652400 674963850 /nfs/dbraw/zinc/96/38/50/674963850.db2.gz ATHAXBWDGCSCGK-INIZCTEOSA-N 2 2 371.934 2.244 20 30 FEEDLP CC[NH+]=C(NCCn1cc[nH+]c1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000114061681 670889445 /nfs/dbraw/zinc/88/94/45/670889445.db2.gz DRSRAEWJGGKTLN-UHFFFAOYSA-N 2 2 360.893 2.324 20 30 FEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631063864 676931539 /nfs/dbraw/zinc/93/15/39/676931539.db2.gz GZISIJFDYCGRKY-UHFFFAOYSA-N 2 2 357.907 2.118 20 30 FEEDLP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001045946897 680642072 /nfs/dbraw/zinc/64/20/72/680642072.db2.gz DMPXBXLDXOHHNT-ZHALLVOQSA-N 2 2 369.937 2.163 20 30 FEEDLP C=C(Cl)C[NH+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001045946897 680642075 /nfs/dbraw/zinc/64/20/75/680642075.db2.gz DMPXBXLDXOHHNT-ZHALLVOQSA-N 2 2 369.937 2.163 20 30 FEEDLP C=C(Cl)C[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001045946897 680642076 /nfs/dbraw/zinc/64/20/76/680642076.db2.gz DMPXBXLDXOHHNT-ZHALLVOQSA-N 2 2 369.937 2.163 20 30 FEEDLP C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001045946897 680642078 /nfs/dbraw/zinc/64/20/78/680642078.db2.gz DMPXBXLDXOHHNT-ZHALLVOQSA-N 2 2 369.937 2.163 20 30 FEEDLP C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852885885 682353521 /nfs/dbraw/zinc/35/35/21/682353521.db2.gz DNPJFJDQYDVEBI-MJGOQNOKSA-N 2 2 363.864 2.344 20 30 FEEDLP C[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852885885 682353525 /nfs/dbraw/zinc/35/35/25/682353525.db2.gz DNPJFJDQYDVEBI-MJGOQNOKSA-N 2 2 363.864 2.344 20 30 FEEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530018 540260692 /nfs/dbraw/zinc/26/06/92/540260692.db2.gz JMPHXLFYYSITRV-KRWDZBQOSA-N 2 2 363.465 2.122 20 30 FEEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530018 540260695 /nfs/dbraw/zinc/26/06/95/540260695.db2.gz JMPHXLFYYSITRV-KRWDZBQOSA-N 2 2 363.465 2.122 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2F)CC1 ZINC000057154072 540773414 /nfs/dbraw/zinc/77/34/14/540773414.db2.gz ZXSIPRBUBINVPB-SFHVURJKSA-N 2 2 354.429 2.110 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3C#N)CC2)CC1 ZINC000066568303 541337395 /nfs/dbraw/zinc/33/73/95/541337395.db2.gz WDNMSXTVKJJKNL-UHFFFAOYSA-N 2 2 354.498 2.324 20 30 FEEDLP N#Cc1ccc(C[N@@H+]2CCCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000077487020 542388225 /nfs/dbraw/zinc/38/82/25/542388225.db2.gz NKSXAQBBNCUALN-UHFFFAOYSA-N 2 2 359.437 2.246 20 30 FEEDLP N#Cc1ccc(C[N@H+]2CCCN(c3cc(-n4cc[nH+]c4)ncn3)CC2)cc1 ZINC000077487020 542388227 /nfs/dbraw/zinc/38/82/27/542388227.db2.gz NKSXAQBBNCUALN-UHFFFAOYSA-N 2 2 359.437 2.246 20 30 FEEDLP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000079296182 542511000 /nfs/dbraw/zinc/51/10/00/542511000.db2.gz BQBOUVUWFRAOII-GOSISDBHSA-N 2 2 369.513 2.260 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005999 542623030 /nfs/dbraw/zinc/62/30/30/542623030.db2.gz MVGAFLKHQQSYJJ-OAQYLSRUSA-N 2 2 371.529 2.075 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081005999 542623033 /nfs/dbraw/zinc/62/30/33/542623033.db2.gz MVGAFLKHQQSYJJ-OAQYLSRUSA-N 2 2 371.529 2.075 20 30 FEEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000123636390 543774422 /nfs/dbraw/zinc/77/44/22/543774422.db2.gz SIHUEEKFLUIKJG-HNNXBMFYSA-N 2 2 355.442 2.395 20 30 FEEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000123636390 543774425 /nfs/dbraw/zinc/77/44/25/543774425.db2.gz SIHUEEKFLUIKJG-HNNXBMFYSA-N 2 2 355.442 2.395 20 30 FEEDLP C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127777936 544013258 /nfs/dbraw/zinc/01/32/58/544013258.db2.gz UEFLGKSSYRJJKX-SJORKVTESA-N 2 2 365.543 2.313 20 30 FEEDLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CCC#N)c3ccccc3)cn2)CC1 ZINC000130456932 544152003 /nfs/dbraw/zinc/15/20/03/544152003.db2.gz XLSIIEONGNRCPE-LJQANCHMSA-N 2 2 350.470 2.363 20 30 FEEDLP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186577407 327969036 /nfs/dbraw/zinc/96/90/36/327969036.db2.gz SPQVLDGWZINKNQ-LJQANCHMSA-N 3 2 369.557 2.138 20 30 FEEDLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000173644218 327273257 /nfs/dbraw/zinc/27/32/57/327273257.db2.gz PEVAYABZSJCHTC-CYBMUJFWSA-N 2 2 364.877 2.239 20 30 FEEDLP C=CCN(Cc1cccs1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179301737 546927963 /nfs/dbraw/zinc/92/79/63/546927963.db2.gz WQVBKPMPOXEIQY-UHFFFAOYSA-N 2 2 350.532 2.472 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC[N@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000181733081 547369632 /nfs/dbraw/zinc/36/96/32/547369632.db2.gz FRNXIIATBKPJEW-JOCHJYFZSA-N 3 2 370.541 2.349 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)CC2)cc1 ZINC000181733081 547369635 /nfs/dbraw/zinc/36/96/35/547369635.db2.gz FRNXIIATBKPJEW-JOCHJYFZSA-N 3 2 370.541 2.349 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656445 549676237 /nfs/dbraw/zinc/67/62/37/549676237.db2.gz GKKIFKIAGQWFQX-IRXDYDNUSA-N 2 2 357.502 2.406 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656445 549676241 /nfs/dbraw/zinc/67/62/41/549676241.db2.gz GKKIFKIAGQWFQX-IRXDYDNUSA-N 2 2 357.502 2.406 20 30 FEEDLP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000264118440 549981179 /nfs/dbraw/zinc/98/11/79/549981179.db2.gz QLUXDAAARHZSJN-LJQANCHMSA-N 2 2 354.454 2.323 20 30 FEEDLP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000264118440 549981182 /nfs/dbraw/zinc/98/11/82/549981182.db2.gz QLUXDAAARHZSJN-LJQANCHMSA-N 2 2 354.454 2.323 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000269699952 550218108 /nfs/dbraw/zinc/21/81/08/550218108.db2.gz YCEJWVUBSYBOTQ-AZUAARDMSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000269699952 550218111 /nfs/dbraw/zinc/21/81/11/550218111.db2.gz YCEJWVUBSYBOTQ-AZUAARDMSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000269699952 550218114 /nfs/dbraw/zinc/21/81/14/550218114.db2.gz YCEJWVUBSYBOTQ-AZUAARDMSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000269699952 550218116 /nfs/dbraw/zinc/21/81/16/550218116.db2.gz YCEJWVUBSYBOTQ-AZUAARDMSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000279681097 550916237 /nfs/dbraw/zinc/91/62/37/550916237.db2.gz HBJQUXJZPLMHIC-UHFFFAOYSA-N 2 2 352.482 2.077 20 30 FEEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000285522083 551769693 /nfs/dbraw/zinc/76/96/93/551769693.db2.gz DYQLFFUQAZXYCP-GOSISDBHSA-N 2 2 357.454 2.345 20 30 FEEDLP C[NH+](CCC[N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccco1 ZINC000285522083 551769690 /nfs/dbraw/zinc/76/96/90/551769690.db2.gz DYQLFFUQAZXYCP-GOSISDBHSA-N 2 2 357.454 2.345 20 30 FEEDLP C[NH+](CCC[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)Cc1ccco1 ZINC000285522083 551769691 /nfs/dbraw/zinc/76/96/91/551769691.db2.gz DYQLFFUQAZXYCP-GOSISDBHSA-N 2 2 357.454 2.345 20 30 FEEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000285522083 551769692 /nfs/dbraw/zinc/76/96/92/551769692.db2.gz DYQLFFUQAZXYCP-GOSISDBHSA-N 2 2 357.454 2.345 20 30 FEEDLP C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000290471683 552484485 /nfs/dbraw/zinc/48/44/85/552484485.db2.gz GQRXJYUBQXKLIV-CABCVRRESA-N 2 2 350.430 2.347 20 30 FEEDLP Cn1ccnc1C[NH+]1CCC(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000328836989 553830514 /nfs/dbraw/zinc/83/05/14/553830514.db2.gz NAKRMZFFAXEVKD-UHFFFAOYSA-N 2 2 370.501 2.364 20 30 FEEDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000329198017 553900412 /nfs/dbraw/zinc/90/04/12/553900412.db2.gz AFYFYZXTBNPCLE-LJQANCHMSA-N 2 2 370.497 2.307 20 30 FEEDLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH+]2Cc2cnn(C)c2)CC[N@@H+]1C ZINC000329562201 553967995 /nfs/dbraw/zinc/96/79/95/553967995.db2.gz JLXHKTBUYYKZNI-HJWJTTGWSA-N 2 2 351.470 2.019 20 30 FEEDLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH+]2Cc2cnn(C)c2)CC[N@H+]1C ZINC000329562201 553967997 /nfs/dbraw/zinc/96/79/97/553967997.db2.gz JLXHKTBUYYKZNI-HJWJTTGWSA-N 2 2 351.470 2.019 20 30 FEEDLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cnn(C)c2)CC[NH+]1C ZINC000329562201 553967999 /nfs/dbraw/zinc/96/79/99/553967999.db2.gz JLXHKTBUYYKZNI-HJWJTTGWSA-N 2 2 351.470 2.019 20 30 FEEDLP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cnn(C)c2)CC[NH+]1C ZINC000329562201 553968000 /nfs/dbraw/zinc/96/80/00/553968000.db2.gz JLXHKTBUYYKZNI-HJWJTTGWSA-N 2 2 351.470 2.019 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000330513621 554132111 /nfs/dbraw/zinc/13/21/11/554132111.db2.gz CVQTXLRLWIFQFV-NVXWUHKLSA-N 2 2 354.539 2.110 20 30 FEEDLP C#CCOc1ccccc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364339993 555294575 /nfs/dbraw/zinc/29/45/75/555294575.db2.gz FLXAUBQJJOUNSJ-QGZVFWFLSA-N 2 2 370.497 2.331 20 30 FEEDLP CCC[NH+]1CCC([NH+]2CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000364690596 555375737 /nfs/dbraw/zinc/37/57/37/555375737.db2.gz LXXSONQJIMRLRF-UHFFFAOYSA-N 2 2 352.486 2.202 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364913563 555435317 /nfs/dbraw/zinc/43/53/17/555435317.db2.gz GVDUKANILBOPNN-CRAIPNDOSA-N 2 2 362.543 2.452 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364913563 555435319 /nfs/dbraw/zinc/43/53/19/555435319.db2.gz GVDUKANILBOPNN-CRAIPNDOSA-N 2 2 362.543 2.452 20 30 FEEDLP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369515483 556617074 /nfs/dbraw/zinc/61/70/74/556617074.db2.gz JPGWFMWGOHJXCJ-QZTJIDSGSA-N 2 2 373.545 2.168 20 30 FEEDLP C[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767020 556689008 /nfs/dbraw/zinc/68/90/08/556689008.db2.gz PKJUHFNXMRDZKC-PXNSSMCTSA-N 2 2 351.498 2.269 20 30 FEEDLP C[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767020 556689011 /nfs/dbraw/zinc/68/90/11/556689011.db2.gz PKJUHFNXMRDZKC-PXNSSMCTSA-N 2 2 351.498 2.269 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)C1=O ZINC000370236648 556818577 /nfs/dbraw/zinc/81/85/77/556818577.db2.gz SXLOBHNUWGUWMO-NXOAAHMSSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@@H]3[C@H]4CCCC[NH+]4C[C@H]3C2)C1=O ZINC000370236648 556818581 /nfs/dbraw/zinc/81/85/81/556818581.db2.gz SXLOBHNUWGUWMO-NXOAAHMSSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@@H]3[C@H]4CCCC[N@H+]4C[C@H]3C2)C1=O ZINC000370236648 556818583 /nfs/dbraw/zinc/81/85/83/556818583.db2.gz SXLOBHNUWGUWMO-NXOAAHMSSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@@H]3[C@H]4CCCC[N@@H+]4C[C@H]3C2)C1=O ZINC000370236648 556818587 /nfs/dbraw/zinc/81/85/87/556818587.db2.gz SXLOBHNUWGUWMO-NXOAAHMSSA-N 2 2 356.495 2.141 20 30 FEEDLP CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370819554 556978483 /nfs/dbraw/zinc/97/84/83/556978483.db2.gz LCILMJXPQIDPGS-GOSISDBHSA-N 2 2 372.538 2.277 20 30 FEEDLP CN(C(=O)CSc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370819554 556978485 /nfs/dbraw/zinc/97/84/85/556978485.db2.gz LCILMJXPQIDPGS-GOSISDBHSA-N 2 2 372.538 2.277 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000517023836 562071825 /nfs/dbraw/zinc/07/18/25/562071825.db2.gz IUJFGQAOSMGDON-UHFFFAOYSA-N 2 2 369.513 2.260 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccc(C#N)cc3)CC2)CC1 ZINC000517023836 562071826 /nfs/dbraw/zinc/07/18/26/562071826.db2.gz IUJFGQAOSMGDON-UHFFFAOYSA-N 2 2 369.513 2.260 20 30 FEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000371439154 557187378 /nfs/dbraw/zinc/18/73/78/557187378.db2.gz SJBMKFACVKIOPE-HUUCEWRRSA-N 2 2 365.481 2.273 20 30 FEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000371439154 557187380 /nfs/dbraw/zinc/18/73/80/557187380.db2.gz SJBMKFACVKIOPE-HUUCEWRRSA-N 2 2 365.481 2.273 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372525794 557493409 /nfs/dbraw/zinc/49/34/09/557493409.db2.gz YDLVFCFYLQNBPD-KPFFTGBYSA-N 2 2 357.502 2.014 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372525794 557493411 /nfs/dbraw/zinc/49/34/11/557493411.db2.gz YDLVFCFYLQNBPD-KPFFTGBYSA-N 2 2 357.502 2.014 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372525794 557493412 /nfs/dbraw/zinc/49/34/12/557493412.db2.gz YDLVFCFYLQNBPD-KPFFTGBYSA-N 2 2 357.502 2.014 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372525794 557493413 /nfs/dbraw/zinc/49/34/13/557493413.db2.gz YDLVFCFYLQNBPD-KPFFTGBYSA-N 2 2 357.502 2.014 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc1 ZINC000374503957 557892371 /nfs/dbraw/zinc/89/23/71/557892371.db2.gz KFNZNVQOYWRSRD-UXHICEINSA-N 2 2 352.482 2.266 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC000376163154 558135439 /nfs/dbraw/zinc/13/54/39/558135439.db2.gz QOANBAQMKDQNOO-LEWJYISDSA-N 2 2 355.482 2.450 20 30 FEEDLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424178533 559656986 /nfs/dbraw/zinc/65/69/86/559656986.db2.gz WVXWKXIGWKOIHE-VYDXJSESSA-N 2 2 368.403 2.377 20 30 FEEDLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424178533 559656987 /nfs/dbraw/zinc/65/69/87/559656987.db2.gz WVXWKXIGWKOIHE-VYDXJSESSA-N 2 2 368.403 2.377 20 30 FEEDLP N#Cc1ccc(NCCNc2cccc[nH+]2)nc1NCCNc1cccc[nH+]1 ZINC000436277087 559939221 /nfs/dbraw/zinc/93/92/21/559939221.db2.gz WKHULTFZUHMJTM-UHFFFAOYSA-N 2 2 374.452 2.791 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026984 560283184 /nfs/dbraw/zinc/28/31/84/560283184.db2.gz MCDGWSMRSFJSOE-DLBZAZTESA-N 2 2 360.502 2.414 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026984 560283185 /nfs/dbraw/zinc/28/31/85/560283185.db2.gz MCDGWSMRSFJSOE-DLBZAZTESA-N 2 2 360.502 2.414 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026601 560283239 /nfs/dbraw/zinc/28/32/39/560283239.db2.gz LOSHBMGBVPZVSZ-SJORKVTESA-N 2 2 358.486 2.190 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026601 560283240 /nfs/dbraw/zinc/28/32/40/560283240.db2.gz LOSHBMGBVPZVSZ-SJORKVTESA-N 2 2 358.486 2.190 20 30 FEEDLP C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000455906086 560499831 /nfs/dbraw/zinc/49/98/31/560499831.db2.gz MWNRLTOJDXLIHH-MRXNPFEDSA-N 2 2 355.486 2.385 20 30 FEEDLP C[C@@H]1CN(C(=O)Nc2cccc(CC#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000455906086 560499832 /nfs/dbraw/zinc/49/98/32/560499832.db2.gz MWNRLTOJDXLIHH-MRXNPFEDSA-N 2 2 355.486 2.385 20 30 FEEDLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccc(C#N)c1 ZINC000462265318 560803502 /nfs/dbraw/zinc/80/35/02/560803502.db2.gz HPWSJYROOWFNMA-ZEDDUWKQSA-N 2 2 366.509 2.431 20 30 FEEDLP C[C@@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cccc(C#N)c1 ZINC000462265318 560803503 /nfs/dbraw/zinc/80/35/03/560803503.db2.gz HPWSJYROOWFNMA-ZEDDUWKQSA-N 2 2 366.509 2.431 20 30 FEEDLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000476826016 561129319 /nfs/dbraw/zinc/12/93/19/561129319.db2.gz YSXHFDJOZSBIQQ-KRWDZBQOSA-N 2 2 364.534 2.197 20 30 FEEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528387592 562326373 /nfs/dbraw/zinc/32/63/73/562326373.db2.gz DSTUQAHKXPPLHU-SFHVURJKSA-N 2 2 365.477 2.094 20 30 FEEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000528387592 562326374 /nfs/dbraw/zinc/32/63/74/562326374.db2.gz DSTUQAHKXPPLHU-SFHVURJKSA-N 2 2 365.477 2.094 20 30 FEEDLP C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262005171 672907335 /nfs/dbraw/zinc/90/73/35/672907335.db2.gz VKQSYFUTEIVCBL-HOTGVXAUSA-N 2 2 365.547 2.254 20 30 FEEDLP COc1ccc(NC(=[NH2+])NC[C@H](C(C)C)[NH+]2CCOCC2)cc1Cl ZINC000303783932 673017610 /nfs/dbraw/zinc/01/76/10/673017610.db2.gz ORKVZQQUUILIGP-OAHLLOKOSA-N 2 2 354.882 2.432 20 30 FEEDLP C=C(Br)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034213982 680431157 /nfs/dbraw/zinc/43/11/57/680431157.db2.gz FQVHRKODOJMNOK-RBSFLKMASA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034213982 680431158 /nfs/dbraw/zinc/43/11/58/680431158.db2.gz FQVHRKODOJMNOK-RBSFLKMASA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034213982 680431161 /nfs/dbraw/zinc/43/11/61/680431161.db2.gz FQVHRKODOJMNOK-RBSFLKMASA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034213982 680431166 /nfs/dbraw/zinc/43/11/66/680431166.db2.gz FQVHRKODOJMNOK-RBSFLKMASA-N 2 2 358.324 2.206 20 30 FEEDLP CCCCCCCCNC(=[NH2+])NCC1([NH+]2CCOCC2)CCOCC1 ZINC000849116560 681658178 /nfs/dbraw/zinc/65/81/78/681658178.db2.gz SOYPGNQUQHDPNW-UHFFFAOYSA-N 2 2 354.539 2.342 20 30 FEEDLP C#CCSCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000889906558 688848132 /nfs/dbraw/zinc/84/81/32/688848132.db2.gz GIRUTZHBTKMCDS-ZWKOTPCHSA-N 2 2 351.560 2.148 20 30 FEEDLP C#CCSCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000889906558 688848137 /nfs/dbraw/zinc/84/81/37/688848137.db2.gz GIRUTZHBTKMCDS-ZWKOTPCHSA-N 2 2 351.560 2.148 20 30 FEEDLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000057874986 540821590 /nfs/dbraw/zinc/82/15/90/540821590.db2.gz LOXHXJJEHWBKNA-UHFFFAOYSA-N 2 2 354.498 2.265 20 30 FEEDLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000057874986 540821593 /nfs/dbraw/zinc/82/15/93/540821593.db2.gz LOXHXJJEHWBKNA-UHFFFAOYSA-N 2 2 354.498 2.265 20 30 FEEDLP C[NH+]1CCC(CNC(=O)NCC#Cc2ccccc2)([NH+]2CCCCC2)CC1 ZINC000073571439 541968643 /nfs/dbraw/zinc/96/86/43/541968643.db2.gz PAAUUCZUBXFHOB-UHFFFAOYSA-N 2 2 368.525 2.288 20 30 FEEDLP N#CCC[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000090665461 542788551 /nfs/dbraw/zinc/78/85/51/542788551.db2.gz VYEGRYLOLRZLJH-OAQYLSRUSA-N 2 2 356.514 2.418 20 30 FEEDLP N#CCC[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000090665461 542788552 /nfs/dbraw/zinc/78/85/52/542788552.db2.gz VYEGRYLOLRZLJH-OAQYLSRUSA-N 2 2 356.514 2.418 20 30 FEEDLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc2)CC1 ZINC000092175231 542847408 /nfs/dbraw/zinc/84/74/08/542847408.db2.gz DTGCTHWVURFUMZ-NRFANRHFSA-N 2 2 374.492 2.284 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000264679888 329047611 /nfs/dbraw/zinc/04/76/11/329047611.db2.gz YJLMJYHXBFJPBX-UHFFFAOYSA-N 2 2 372.488 2.464 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NCc3cccnc3)CCC[NH+]2C)cn1 ZINC000328622254 522405135 /nfs/dbraw/zinc/40/51/35/522405135.db2.gz BARYSYFWJZHXDV-FXAWDEMLSA-N 2 2 370.501 2.287 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NCc3cccnc3)CCC[NH+]2C)cn1 ZINC000328622254 522405148 /nfs/dbraw/zinc/40/51/48/522405148.db2.gz BARYSYFWJZHXDV-FXAWDEMLSA-N 2 2 370.501 2.287 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NCc3cccnc3)CCC[N@@H+]2C)cn1 ZINC000328622254 522405161 /nfs/dbraw/zinc/40/51/61/522405161.db2.gz BARYSYFWJZHXDV-FXAWDEMLSA-N 2 2 370.501 2.287 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NCc3cccnc3)CCC[N@H+]2C)cn1 ZINC000328622254 522405171 /nfs/dbraw/zinc/40/51/71/522405171.db2.gz BARYSYFWJZHXDV-FXAWDEMLSA-N 2 2 370.501 2.287 20 30 FEEDLP COc1ccc(NC(=[NH2+])NCc2cccnc2-n2cc[nH+]c2)cc1OC ZINC000170912414 546182689 /nfs/dbraw/zinc/18/26/89/546182689.db2.gz CKMHGEWZYBLLQF-UHFFFAOYSA-N 2 2 352.398 2.211 20 30 FEEDLP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccc(C#N)cc3)C3CC3)cn2)CC1 ZINC000180030063 547040698 /nfs/dbraw/zinc/04/06/98/547040698.db2.gz DXTDCHKALSMQKZ-UHFFFAOYSA-N 2 2 362.481 2.265 20 30 FEEDLP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccc(C#N)cc3)C3CC3)cn2)CC1 ZINC000180030063 547040703 /nfs/dbraw/zinc/04/07/03/547040703.db2.gz DXTDCHKALSMQKZ-UHFFFAOYSA-N 2 2 362.481 2.265 20 30 FEEDLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000489763967 561418609 /nfs/dbraw/zinc/41/86/09/561418609.db2.gz VTNMRYINMIVPSE-VQTJNVASSA-N 2 2 369.513 2.258 20 30 FEEDLP C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262014483 549780489 /nfs/dbraw/zinc/78/04/89/549780489.db2.gz XKYQYUQAVIWUGO-RDJZCZTQSA-N 2 2 355.490 2.074 20 30 FEEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OC ZINC000264124002 549981794 /nfs/dbraw/zinc/98/17/94/549981794.db2.gz RSAPXKKPSJDZJB-ZIAGYGMSSA-N 2 2 364.490 2.318 20 30 FEEDLP C=CCc1ccc(OC[C@@H](O)C[N@H+](C)CCCn2cc[nH+]c2)c(OC)c1 ZINC000271615477 550389898 /nfs/dbraw/zinc/38/98/98/550389898.db2.gz DBRHFMPNHLLDGR-SFHVURJKSA-N 2 2 359.470 2.382 20 30 FEEDLP C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)c(OC)c1 ZINC000271615477 550389900 /nfs/dbraw/zinc/38/99/00/550389900.db2.gz DBRHFMPNHLLDGR-SFHVURJKSA-N 2 2 359.470 2.382 20 30 FEEDLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619715 550461232 /nfs/dbraw/zinc/46/12/32/550461232.db2.gz UORPPRUWURCOJX-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619715 550461233 /nfs/dbraw/zinc/46/12/33/550461233.db2.gz UORPPRUWURCOJX-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411102 550887156 /nfs/dbraw/zinc/88/71/56/550887156.db2.gz NVHOSNFTLMBHIF-QFBILLFUSA-N 2 2 350.470 2.385 20 30 FEEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411102 550887159 /nfs/dbraw/zinc/88/71/59/550887159.db2.gz NVHOSNFTLMBHIF-QFBILLFUSA-N 2 2 350.470 2.385 20 30 FEEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411102 550887161 /nfs/dbraw/zinc/88/71/61/550887161.db2.gz NVHOSNFTLMBHIF-QFBILLFUSA-N 2 2 350.470 2.385 20 30 FEEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411102 550887163 /nfs/dbraw/zinc/88/71/63/550887163.db2.gz NVHOSNFTLMBHIF-QFBILLFUSA-N 2 2 350.470 2.385 20 30 FEEDLP C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000288134325 552097259 /nfs/dbraw/zinc/09/72/59/552097259.db2.gz LAZMPRMPETVTKK-FQEVSTJZSA-N 2 2 370.541 2.288 20 30 FEEDLP C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000288134325 552097261 /nfs/dbraw/zinc/09/72/61/552097261.db2.gz LAZMPRMPETVTKK-FQEVSTJZSA-N 2 2 370.541 2.288 20 30 FEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292074045 552691030 /nfs/dbraw/zinc/69/10/30/552691030.db2.gz DZGWVRHLKYBTAB-OXJNMPFZSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292074045 552691031 /nfs/dbraw/zinc/69/10/31/552691031.db2.gz DZGWVRHLKYBTAB-OXJNMPFZSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292074045 552691032 /nfs/dbraw/zinc/69/10/32/552691032.db2.gz DZGWVRHLKYBTAB-OXJNMPFZSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292074045 552691033 /nfs/dbraw/zinc/69/10/33/552691033.db2.gz DZGWVRHLKYBTAB-OXJNMPFZSA-N 2 2 358.461 2.488 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000504303841 561655867 /nfs/dbraw/zinc/65/58/67/561655867.db2.gz VSPNLOIRQSZWPO-WOJBJXKFSA-N 2 2 367.497 2.012 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000504303841 561655868 /nfs/dbraw/zinc/65/58/68/561655868.db2.gz VSPNLOIRQSZWPO-WOJBJXKFSA-N 2 2 367.497 2.012 20 30 FEEDLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858651 554020169 /nfs/dbraw/zinc/02/01/69/554020169.db2.gz OEIISPCUCMAKIG-DOTOQJQBSA-N 2 2 360.458 2.352 20 30 FEEDLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858651 554020171 /nfs/dbraw/zinc/02/01/71/554020171.db2.gz OEIISPCUCMAKIG-DOTOQJQBSA-N 2 2 360.458 2.352 20 30 FEEDLP C[NH+]1CCO[C@@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858651 554020173 /nfs/dbraw/zinc/02/01/73/554020173.db2.gz OEIISPCUCMAKIG-DOTOQJQBSA-N 2 2 360.458 2.352 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000329952407 554038187 /nfs/dbraw/zinc/03/81/87/554038187.db2.gz ITWRUXQEHJUJJV-KRWDZBQOSA-N 2 2 360.506 2.043 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000331594528 554291200 /nfs/dbraw/zinc/29/12/00/554291200.db2.gz NDLSHIGTRXHQSV-GOSISDBHSA-N 2 2 361.534 2.413 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000331594528 554291202 /nfs/dbraw/zinc/29/12/02/554291202.db2.gz NDLSHIGTRXHQSV-GOSISDBHSA-N 2 2 361.534 2.413 20 30 FEEDLP C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703295 554982168 /nfs/dbraw/zinc/98/21/68/554982168.db2.gz PYRIJDXNMAHCTJ-WIYYLYMNSA-N 2 2 356.514 2.285 20 30 FEEDLP C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703295 554982169 /nfs/dbraw/zinc/98/21/69/554982169.db2.gz PYRIJDXNMAHCTJ-WIYYLYMNSA-N 2 2 356.514 2.285 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000368589763 556355573 /nfs/dbraw/zinc/35/55/73/556355573.db2.gz JJFJXQKQOHNBEM-QFIPXVFZSA-N 2 2 368.525 2.170 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@]1(C#N)CCc2ccccc2C1 ZINC000368589763 556355576 /nfs/dbraw/zinc/35/55/76/556355576.db2.gz JJFJXQKQOHNBEM-QFIPXVFZSA-N 2 2 368.525 2.170 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CSCc3ccc(C#N)cc3)C2)CC1 ZINC000369277362 556561840 /nfs/dbraw/zinc/56/18/40/556561840.db2.gz LPNQBBKBXYFZHW-GOSISDBHSA-N 2 2 372.538 2.076 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CSCc3ccc(C#N)cc3)C2)CC1 ZINC000369277362 556561842 /nfs/dbraw/zinc/56/18/42/556561842.db2.gz LPNQBBKBXYFZHW-GOSISDBHSA-N 2 2 372.538 2.076 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507431 557707598 /nfs/dbraw/zinc/70/75/98/557707598.db2.gz IAHSYEDIVWTFHQ-RBUKOAKNSA-N 2 2 354.498 2.359 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507431 557707600 /nfs/dbraw/zinc/70/76/00/557707600.db2.gz IAHSYEDIVWTFHQ-RBUKOAKNSA-N 2 2 354.498 2.359 20 30 FEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375741879 558075751 /nfs/dbraw/zinc/07/57/51/558075751.db2.gz FXQRKRBSVKKFSD-GHTZIAJQSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375741879 558075752 /nfs/dbraw/zinc/07/57/52/558075752.db2.gz FXQRKRBSVKKFSD-GHTZIAJQSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375741879 558075753 /nfs/dbraw/zinc/07/57/53/558075753.db2.gz FXQRKRBSVKKFSD-GHTZIAJQSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375741879 558075754 /nfs/dbraw/zinc/07/57/54/558075754.db2.gz FXQRKRBSVKKFSD-GHTZIAJQSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375741881 558075769 /nfs/dbraw/zinc/07/57/69/558075769.db2.gz FXQRKRBSVKKFSD-NQIIRXRSSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375741881 558075770 /nfs/dbraw/zinc/07/57/70/558075770.db2.gz FXQRKRBSVKKFSD-NQIIRXRSSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375741881 558075771 /nfs/dbraw/zinc/07/57/71/558075771.db2.gz FXQRKRBSVKKFSD-NQIIRXRSSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375741881 558075772 /nfs/dbraw/zinc/07/57/72/558075772.db2.gz FXQRKRBSVKKFSD-NQIIRXRSSA-N 2 2 354.498 2.345 20 30 FEEDLP C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411489514 558903922 /nfs/dbraw/zinc/90/39/22/558903922.db2.gz QKEMJBHADUZVRV-GOSISDBHSA-N 2 2 368.481 2.442 20 30 FEEDLP C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411489514 558903923 /nfs/dbraw/zinc/90/39/23/558903923.db2.gz QKEMJBHADUZVRV-GOSISDBHSA-N 2 2 368.481 2.442 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451031757 560283499 /nfs/dbraw/zinc/28/34/99/560283499.db2.gz XMCPJKVGYATLHT-GQIGUUNPSA-N 2 2 373.501 2.044 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451031757 560283500 /nfs/dbraw/zinc/28/35/00/560283500.db2.gz XMCPJKVGYATLHT-GQIGUUNPSA-N 2 2 373.501 2.044 20 30 FEEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107628 560351808 /nfs/dbraw/zinc/35/18/08/560351808.db2.gz BUSUUZFBEZCFGK-INIZCTEOSA-N 2 2 360.424 2.143 20 30 FEEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107628 560351809 /nfs/dbraw/zinc/35/18/09/560351809.db2.gz BUSUUZFBEZCFGK-INIZCTEOSA-N 2 2 360.424 2.143 20 30 FEEDLP CCC(CC)[C@H](CNC(=[NH2+])NCCc1cccs1)[NH+]1CCOCC1 ZINC000303789761 673017725 /nfs/dbraw/zinc/01/77/25/673017725.db2.gz VSHHLFSSBCHZPO-KRWDZBQOSA-N 2 2 352.548 2.332 20 30 FEEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595469320 673254945 /nfs/dbraw/zinc/25/49/45/673254945.db2.gz FLLHZERJNGSYFD-INIZCTEOSA-N 2 2 362.499 2.135 20 30 FEEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000595469320 673254949 /nfs/dbraw/zinc/25/49/49/673254949.db2.gz FLLHZERJNGSYFD-INIZCTEOSA-N 2 2 362.499 2.135 20 30 FEEDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000548908174 674005574 /nfs/dbraw/zinc/00/55/74/674005574.db2.gz CJBBKKZNHWBDIT-IAGOWNOFSA-N 2 2 363.527 2.290 20 30 FEEDLP C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000999184938 680397311 /nfs/dbraw/zinc/39/73/11/680397311.db2.gz GSAPNURGWHIRPJ-DJIMGWMZSA-N 2 2 362.905 2.487 20 30 FEEDLP C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000845626410 681142038 /nfs/dbraw/zinc/14/20/38/681142038.db2.gz GRIJMIXTAJYWOL-CGTJXYLNSA-N 2 2 352.523 2.471 20 30 FEEDLP C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845626410 681142040 /nfs/dbraw/zinc/14/20/40/681142040.db2.gz GRIJMIXTAJYWOL-CGTJXYLNSA-N 2 2 352.523 2.471 20 30 FEEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000877191247 686337959 /nfs/dbraw/zinc/33/79/59/686337959.db2.gz MMZMMVMWCVPFEM-SFHVURJKSA-N 2 2 356.857 2.463 20 30 FEEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000877191247 686337965 /nfs/dbraw/zinc/33/79/65/686337965.db2.gz MMZMMVMWCVPFEM-SFHVURJKSA-N 2 2 356.857 2.463 20 30 FEEDLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000015368490 539617423 /nfs/dbraw/zinc/61/74/23/539617423.db2.gz YMZONUGOTPZZFE-UHFFFAOYSA-N 2 2 362.477 2.334 20 30 FEEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000015368490 539617428 /nfs/dbraw/zinc/61/74/28/539617428.db2.gz YMZONUGOTPZZFE-UHFFFAOYSA-N 2 2 362.477 2.334 20 30 FEEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518661 540260935 /nfs/dbraw/zinc/26/09/35/540260935.db2.gz CWXUIEBNJYXQBS-KRWDZBQOSA-N 2 2 363.465 2.122 20 30 FEEDLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518661 540260938 /nfs/dbraw/zinc/26/09/38/540260938.db2.gz CWXUIEBNJYXQBS-KRWDZBQOSA-N 2 2 363.465 2.122 20 30 FEEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046530021 540261061 /nfs/dbraw/zinc/26/10/61/540261061.db2.gz JMPHXLFYYSITRV-QGZVFWFLSA-N 2 2 363.465 2.122 20 30 FEEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046530021 540261062 /nfs/dbraw/zinc/26/10/62/540261062.db2.gz JMPHXLFYYSITRV-QGZVFWFLSA-N 2 2 363.465 2.122 20 30 FEEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000051559931 540437470 /nfs/dbraw/zinc/43/74/70/540437470.db2.gz AIQZBSMSTRGZOK-UHFFFAOYSA-N 2 2 359.518 2.455 20 30 FEEDLP C=C(C)C[N@H+](CC)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000051559931 540437474 /nfs/dbraw/zinc/43/74/74/540437474.db2.gz AIQZBSMSTRGZOK-UHFFFAOYSA-N 2 2 359.518 2.455 20 30 FEEDLP CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000066962075 541401679 /nfs/dbraw/zinc/40/16/79/541401679.db2.gz OUFLYJMYHJMVET-KRWDZBQOSA-N 2 2 372.513 2.168 20 30 FEEDLP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000066962075 541401683 /nfs/dbraw/zinc/40/16/83/541401683.db2.gz OUFLYJMYHJMVET-KRWDZBQOSA-N 2 2 372.513 2.168 20 30 FEEDLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000072813333 541870949 /nfs/dbraw/zinc/87/09/49/541870949.db2.gz IHSHRGVOWOHZJJ-UHFFFAOYSA-N 2 2 354.498 2.323 20 30 FEEDLP C#CC[NH+]1CCC(c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)CC1 ZINC000109581565 543328046 /nfs/dbraw/zinc/32/80/46/543328046.db2.gz OEGQTPJCDUDKCM-UHFFFAOYSA-N 2 2 366.465 2.381 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000127355333 543987505 /nfs/dbraw/zinc/98/75/05/543987505.db2.gz UPLLVVODZSJRPW-SFHVURJKSA-N 2 2 357.502 2.390 20 30 FEEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135293783 544340748 /nfs/dbraw/zinc/34/07/48/544340748.db2.gz JOYXLYDDUMAOLE-LJQANCHMSA-N 2 2 354.498 2.226 20 30 FEEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135293783 544340750 /nfs/dbraw/zinc/34/07/50/544340750.db2.gz JOYXLYDDUMAOLE-LJQANCHMSA-N 2 2 354.498 2.226 20 30 FEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000177056871 327494047 /nfs/dbraw/zinc/49/40/47/327494047.db2.gz QFIUWQNGFOPJDG-LJQANCHMSA-N 2 2 352.438 2.461 20 30 FEEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)CC1 ZINC000267221989 329304004 /nfs/dbraw/zinc/30/40/04/329304004.db2.gz SVFFBKPBUAISSU-UHFFFAOYSA-N 2 2 354.479 2.297 20 30 FEEDLP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271917249 329737104 /nfs/dbraw/zinc/73/71/04/329737104.db2.gz ZCAMWXXJTODUNB-UHFFFAOYSA-N 3 2 370.541 2.348 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000171704558 546219871 /nfs/dbraw/zinc/21/98/71/546219871.db2.gz ADOCYBHJBBWRTC-FQEVSTJZSA-N 2 2 372.513 2.010 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cc(C#N)ccc3F)CC2)CC1 ZINC000176382526 546438410 /nfs/dbraw/zinc/43/84/10/546438410.db2.gz WYDUAUKVFCHISP-UHFFFAOYSA-N 2 2 373.476 2.055 20 30 FEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000480948465 561220931 /nfs/dbraw/zinc/22/09/31/561220931.db2.gz AXNCVMDIWXXOPJ-WOJBJXKFSA-N 2 2 363.546 2.445 20 30 FEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000480948465 561220932 /nfs/dbraw/zinc/22/09/32/561220932.db2.gz AXNCVMDIWXXOPJ-WOJBJXKFSA-N 2 2 363.546 2.445 20 30 FEEDLP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000180233205 547070871 /nfs/dbraw/zinc/07/08/71/547070871.db2.gz KQKNRUQSPYMQLF-MRXNPFEDSA-N 2 2 353.470 2.017 20 30 FEEDLP C=CC[N@@H+](CCOC)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000191114073 548340176 /nfs/dbraw/zinc/34/01/76/548340176.db2.gz GIPDFEZGJSTKHS-UHFFFAOYSA-N 2 2 359.514 2.164 20 30 FEEDLP C=CC[N@H+](CCOC)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000191114073 548340179 /nfs/dbraw/zinc/34/01/79/548340179.db2.gz GIPDFEZGJSTKHS-UHFFFAOYSA-N 2 2 359.514 2.164 20 30 FEEDLP C=CC[NH+](CCOC)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000191114073 548340184 /nfs/dbraw/zinc/34/01/84/548340184.db2.gz GIPDFEZGJSTKHS-UHFFFAOYSA-N 2 2 359.514 2.164 20 30 FEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000245820545 548998922 /nfs/dbraw/zinc/99/89/22/548998922.db2.gz DVIAISONRRUIDR-VQIMIIECSA-N 2 2 352.438 2.461 20 30 FEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000245820545 548998925 /nfs/dbraw/zinc/99/89/25/548998925.db2.gz DVIAISONRRUIDR-VQIMIIECSA-N 2 2 352.438 2.461 20 30 FEEDLP C(#CC[NH+]1CCC(n2cc[nH+]c2)CC1)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000276280651 550577821 /nfs/dbraw/zinc/57/78/21/550577821.db2.gz FTGKLOOHTIPTAA-UHFFFAOYSA-N 4 2 352.486 2.057 20 30 FEEDLP CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000284343601 551528556 /nfs/dbraw/zinc/52/85/56/551528556.db2.gz MYOWPXBHSMWAOX-VQTJNVASSA-N 2 2 359.514 2.270 20 30 FEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000285808633 551813731 /nfs/dbraw/zinc/81/37/31/551813731.db2.gz WHYDJFUBSPVKPF-UXDRXVOSSA-N 2 2 370.497 2.323 20 30 FEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000285808633 551813732 /nfs/dbraw/zinc/81/37/32/551813732.db2.gz WHYDJFUBSPVKPF-UXDRXVOSSA-N 2 2 370.497 2.323 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCC(C)CC3)[nH+]c2)CC1 ZINC000299132619 553519521 /nfs/dbraw/zinc/51/95/21/553519521.db2.gz FDEJTXHANMOHQQ-UHFFFAOYSA-N 2 2 354.498 2.279 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000504303838 561655980 /nfs/dbraw/zinc/65/59/80/561655980.db2.gz VSPNLOIRQSZWPO-PMACEKPBSA-N 2 2 367.497 2.012 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000504303838 561655981 /nfs/dbraw/zinc/65/59/81/561655981.db2.gz VSPNLOIRQSZWPO-PMACEKPBSA-N 2 2 367.497 2.012 20 30 FEEDLP C[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@H]1[NH+](C)C ZINC000329132567 553886605 /nfs/dbraw/zinc/88/66/05/553886605.db2.gz ATKYIGKTOVONHL-UKRRQHHQSA-N 2 2 351.520 2.209 20 30 FEEDLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000329306300 553921930 /nfs/dbraw/zinc/92/19/30/553921930.db2.gz YPSADNRPLOMYLM-SFHVURJKSA-N 2 2 365.518 2.231 20 30 FEEDLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000329306300 553921932 /nfs/dbraw/zinc/92/19/32/553921932.db2.gz YPSADNRPLOMYLM-SFHVURJKSA-N 2 2 365.518 2.231 20 30 FEEDLP Cc1nc(N2CCN(C(=O)NC[C@@H]3CCCC[N@H+]3CC(C)C)CC2)cc[nH+]1 ZINC000329442259 553948107 /nfs/dbraw/zinc/94/81/07/553948107.db2.gz BQHXIDLTXDOBFV-SFHVURJKSA-N 2 2 374.533 2.332 20 30 FEEDLP Cc1nc(N2CCN(C(=O)NC[C@@H]3CCCC[N@@H+]3CC(C)C)CC2)cc[nH+]1 ZINC000329442259 553948110 /nfs/dbraw/zinc/94/81/10/553948110.db2.gz BQHXIDLTXDOBFV-SFHVURJKSA-N 2 2 374.533 2.332 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329786188 554005363 /nfs/dbraw/zinc/00/53/63/554005363.db2.gz XPZUIPVZELQCBI-YCPHGPKFSA-N 2 2 359.518 2.482 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329786188 554005367 /nfs/dbraw/zinc/00/53/67/554005367.db2.gz XPZUIPVZELQCBI-YCPHGPKFSA-N 2 2 359.518 2.482 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329786188 554005369 /nfs/dbraw/zinc/00/53/69/554005369.db2.gz XPZUIPVZELQCBI-YCPHGPKFSA-N 2 2 359.518 2.482 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329786188 554005372 /nfs/dbraw/zinc/00/53/72/554005372.db2.gz XPZUIPVZELQCBI-YCPHGPKFSA-N 2 2 359.518 2.482 20 30 FEEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)CC[N@@H+]1C ZINC000329799744 554008199 /nfs/dbraw/zinc/00/81/99/554008199.db2.gz HSRRNLKMXYGQII-CABCVRRESA-N 2 2 351.520 2.048 20 30 FEEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)CC[N@H+]1C ZINC000329799744 554008200 /nfs/dbraw/zinc/00/82/00/554008200.db2.gz HSRRNLKMXYGQII-CABCVRRESA-N 2 2 351.520 2.048 20 30 FEEDLP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC[NH+]1C ZINC000329799744 554008202 /nfs/dbraw/zinc/00/82/02/554008202.db2.gz HSRRNLKMXYGQII-CABCVRRESA-N 2 2 351.520 2.048 20 30 FEEDLP Cc1ccc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000329802653 554008429 /nfs/dbraw/zinc/00/84/29/554008429.db2.gz JIWXQBOCVCJRMV-UHFFFAOYSA-N 2 2 359.518 2.344 20 30 FEEDLP C[C@H](C[C@H]1CCCO1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000329806475 554009251 /nfs/dbraw/zinc/00/92/51/554009251.db2.gz NYGCCKUZETZKND-QZTJIDSGSA-N 2 2 366.550 2.398 20 30 FEEDLP CCN1CCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329956037 554038554 /nfs/dbraw/zinc/03/85/54/554038554.db2.gz KZXPLBSAFHJCAR-GVDBMIGSSA-N 2 2 362.522 2.123 20 30 FEEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)O1 ZINC000360790860 554889649 /nfs/dbraw/zinc/88/96/49/554889649.db2.gz CIYABQREDCZLMU-POHUPDAJSA-N 2 2 369.509 2.235 20 30 FEEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)O1 ZINC000360790860 554889652 /nfs/dbraw/zinc/88/96/52/554889652.db2.gz CIYABQREDCZLMU-POHUPDAJSA-N 2 2 369.509 2.235 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364898749 555429947 /nfs/dbraw/zinc/42/99/47/555429947.db2.gz WNJKMTRCFIRMQG-WMLDXEAASA-N 2 2 363.531 2.014 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364898749 555429951 /nfs/dbraw/zinc/42/99/51/555429951.db2.gz WNJKMTRCFIRMQG-WMLDXEAASA-N 2 2 363.531 2.014 20 30 FEEDLP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369515485 556617208 /nfs/dbraw/zinc/61/72/08/556617208.db2.gz JPGWFMWGOHJXCJ-ZWKOTPCHSA-N 2 2 373.545 2.168 20 30 FEEDLP Cc1cccc(NC2CC[NH+](CC(=O)NCc3cccc(C#N)c3)CC2)[nH+]1 ZINC000369583695 556639107 /nfs/dbraw/zinc/63/91/07/556639107.db2.gz JWUWZHQZHLXUBX-UHFFFAOYSA-N 2 2 363.465 2.454 20 30 FEEDLP C[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369767022 556689100 /nfs/dbraw/zinc/68/91/00/556689100.db2.gz PKJUHFNXMRDZKC-YLJYHZDGSA-N 2 2 351.498 2.269 20 30 FEEDLP C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369767022 556689101 /nfs/dbraw/zinc/68/91/01/556689101.db2.gz PKJUHFNXMRDZKC-YLJYHZDGSA-N 2 2 351.498 2.269 20 30 FEEDLP C[C@H]([NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000369840305 556709324 /nfs/dbraw/zinc/70/93/24/556709324.db2.gz KWIHJMIXWPMZFV-KRWDZBQOSA-N 2 2 370.497 2.326 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194827 557103544 /nfs/dbraw/zinc/10/35/44/557103544.db2.gz GROFVJWPCFSHBQ-HXUWFJFHSA-N 2 2 354.498 2.372 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194827 557103547 /nfs/dbraw/zinc/10/35/47/557103547.db2.gz GROFVJWPCFSHBQ-HXUWFJFHSA-N 2 2 354.498 2.372 20 30 FEEDLP C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374252794 557851446 /nfs/dbraw/zinc/85/14/46/557851446.db2.gz AAWANNSWRKCMTM-KRWDZBQOSA-N 2 2 354.498 2.118 20 30 FEEDLP C[C@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374252794 557851448 /nfs/dbraw/zinc/85/14/48/557851448.db2.gz AAWANNSWRKCMTM-KRWDZBQOSA-N 2 2 354.498 2.118 20 30 FEEDLP C[N@@H+]1CCN(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C(=O)C1 ZINC000374726591 557921874 /nfs/dbraw/zinc/92/18/74/557921874.db2.gz PJDBADVKSXSSTO-UHFFFAOYSA-N 2 2 354.498 2.226 20 30 FEEDLP C[N@H+]1CCN(C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)C(=O)C1 ZINC000374726591 557921876 /nfs/dbraw/zinc/92/18/76/557921876.db2.gz PJDBADVKSXSSTO-UHFFFAOYSA-N 2 2 354.498 2.226 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3C3CC3)CC2)cc1 ZINC000375301136 558006370 /nfs/dbraw/zinc/00/63/70/558006370.db2.gz FDOYWYIYLUSSSB-CTNGQTDRSA-N 2 2 352.482 2.169 20 30 FEEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc1OC ZINC000415093035 559204856 /nfs/dbraw/zinc/20/48/56/559204856.db2.gz HHZGJRYVRFBHFD-ZDUSSCGKSA-N 2 2 371.275 2.101 20 30 FEEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450229067 560254832 /nfs/dbraw/zinc/25/48/32/560254832.db2.gz WEAYQBIMDKFRFP-WTGUMLROSA-N 2 2 363.546 2.373 20 30 FEEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450229067 560254833 /nfs/dbraw/zinc/25/48/33/560254833.db2.gz WEAYQBIMDKFRFP-WTGUMLROSA-N 2 2 363.546 2.373 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452120550 560352440 /nfs/dbraw/zinc/35/24/40/560352440.db2.gz RRDIUZCOXDIVAO-INIZCTEOSA-N 2 2 362.440 2.389 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452120550 560352441 /nfs/dbraw/zinc/35/24/41/560352441.db2.gz RRDIUZCOXDIVAO-INIZCTEOSA-N 2 2 362.440 2.389 20 30 FEEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000470814951 560990367 /nfs/dbraw/zinc/99/03/67/560990367.db2.gz GRPYEFZLKIYZSR-ROUUACIJSA-N 2 2 359.424 2.475 20 30 FEEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000470814951 560990368 /nfs/dbraw/zinc/99/03/68/560990368.db2.gz GRPYEFZLKIYZSR-ROUUACIJSA-N 2 2 359.424 2.475 20 30 FEEDLP COCCNC(=[NH2+])NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000171144506 672329868 /nfs/dbraw/zinc/32/98/68/672329868.db2.gz KFEXKYMCTHASHI-QGZVFWFLSA-N 2 2 358.511 2.398 20 30 FEEDLP COCCNC(=[NH2+])NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000171144506 672329869 /nfs/dbraw/zinc/32/98/69/672329869.db2.gz KFEXKYMCTHASHI-QGZVFWFLSA-N 2 2 358.511 2.398 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594445837 673073311 /nfs/dbraw/zinc/07/33/11/673073311.db2.gz KYFZGEBVBMWIPH-YESZJQIVSA-N 2 2 350.413 2.237 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594445837 673073312 /nfs/dbraw/zinc/07/33/12/673073312.db2.gz KYFZGEBVBMWIPH-YESZJQIVSA-N 2 2 350.413 2.237 20 30 FEEDLP C#C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1F ZINC000820755627 675385459 /nfs/dbraw/zinc/38/54/59/675385459.db2.gz NBQWBXQNCMEGAB-KRWDZBQOSA-N 2 2 368.884 2.336 20 30 FEEDLP C#C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1F ZINC000820755627 675385460 /nfs/dbraw/zinc/38/54/60/675385460.db2.gz NBQWBXQNCMEGAB-KRWDZBQOSA-N 2 2 368.884 2.336 20 30 FEEDLP C[NH2+]C[C@](C)(O)C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530518 684299893 /nfs/dbraw/zinc/29/98/93/684299893.db2.gz FAGZSFIBWXJEIU-HLTSFMKQSA-N 2 2 370.284 2.060 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000872177352 684924595 /nfs/dbraw/zinc/92/45/95/684924595.db2.gz HVLPRVHFPFKULX-AWEZNQCLSA-N 2 2 362.865 2.416 20 30 FEEDLP CCOCCC[NH+]=C(NCCn1cc[nH+]c1)NCc1ccc(OC)cc1 ZINC000066244993 541294669 /nfs/dbraw/zinc/29/46/69/541294669.db2.gz JCNRSCCJZHDFSU-UHFFFAOYSA-N 2 2 359.474 2.054 20 30 FEEDLP COc1cc[nH+]c(N2CC[NH+](CCOc3ccc(C#N)cc3OC)CC2)c1 ZINC000077282565 542361955 /nfs/dbraw/zinc/36/19/55/542361955.db2.gz DEDABNUBAPBKJU-UHFFFAOYSA-N 2 2 368.437 2.171 20 30 FEEDLP C=CC1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000111258665 543389747 /nfs/dbraw/zinc/38/97/47/543389747.db2.gz ONWJMLXBWRCWDF-UHFFFAOYSA-N 2 2 357.498 2.033 20 30 FEEDLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000114477985 543519460 /nfs/dbraw/zinc/51/94/60/543519460.db2.gz QMIPRZBMRWKNJV-MRXNPFEDSA-N 2 2 367.415 2.057 20 30 FEEDLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000114477985 543519462 /nfs/dbraw/zinc/51/94/62/543519462.db2.gz QMIPRZBMRWKNJV-MRXNPFEDSA-N 2 2 367.415 2.057 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCCN(c3cccc[nH+]3)C2)CC1 ZINC000127355093 543987591 /nfs/dbraw/zinc/98/75/91/543987591.db2.gz UPLLVVODZSJRPW-GOSISDBHSA-N 2 2 357.502 2.390 20 30 FEEDLP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188293690 328078874 /nfs/dbraw/zinc/07/88/74/328078874.db2.gz MFVQDTXUNCIRBN-FGZHOGPDSA-N 2 2 365.477 2.160 20 30 FEEDLP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188293690 328078876 /nfs/dbraw/zinc/07/88/76/328078876.db2.gz MFVQDTXUNCIRBN-FGZHOGPDSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188293690 328078878 /nfs/dbraw/zinc/07/88/78/328078878.db2.gz MFVQDTXUNCIRBN-FGZHOGPDSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188293690 328078879 /nfs/dbraw/zinc/07/88/79/328078879.db2.gz MFVQDTXUNCIRBN-FGZHOGPDSA-N 2 2 365.477 2.160 20 30 FEEDLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000264279316 329006975 /nfs/dbraw/zinc/00/69/75/329006975.db2.gz REEXSPPKHNYROT-INIZCTEOSA-N 2 2 357.502 2.287 20 30 FEEDLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000264279316 329006976 /nfs/dbraw/zinc/00/69/76/329006976.db2.gz REEXSPPKHNYROT-INIZCTEOSA-N 2 2 357.502 2.287 20 30 FEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000155878683 545579422 /nfs/dbraw/zinc/57/94/22/545579422.db2.gz WHINTVVEHJILFB-IBGZPJMESA-N 2 2 363.465 2.052 20 30 FEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000155878683 545579426 /nfs/dbraw/zinc/57/94/26/545579426.db2.gz WHINTVVEHJILFB-IBGZPJMESA-N 2 2 363.465 2.052 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183499814 547671601 /nfs/dbraw/zinc/67/16/01/547671601.db2.gz LDEZCIOKVNDNDC-HNNXBMFYSA-N 2 2 359.470 2.430 20 30 FEEDLP CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261995305 549778242 /nfs/dbraw/zinc/77/82/42/549778242.db2.gz SFVAGTFEMFHHRU-KXBFYZLASA-N 2 2 371.533 2.400 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278776976 550820588 /nfs/dbraw/zinc/82/05/88/550820588.db2.gz CULQSVGZTDHUGY-FQEVSTJZSA-N 2 2 357.502 2.453 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292195774 552703486 /nfs/dbraw/zinc/70/34/86/552703486.db2.gz RTXQMHXCAMAZKG-UTKZUKDTSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292195774 552703487 /nfs/dbraw/zinc/70/34/87/552703487.db2.gz RTXQMHXCAMAZKG-UTKZUKDTSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292195774 552703488 /nfs/dbraw/zinc/70/34/88/552703488.db2.gz RTXQMHXCAMAZKG-UTKZUKDTSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292195774 552703489 /nfs/dbraw/zinc/70/34/89/552703489.db2.gz RTXQMHXCAMAZKG-UTKZUKDTSA-N 2 2 370.497 2.358 20 30 FEEDLP Cc1cc(NCC[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600764058 553312591 /nfs/dbraw/zinc/31/25/91/553312591.db2.gz WJKWYEARDZDISC-QGZVFWFLSA-N 2 2 369.469 2.222 20 30 FEEDLP C[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@@H]1[NH+](C)C ZINC000329132569 553886200 /nfs/dbraw/zinc/88/62/00/553886200.db2.gz ATKYIGKTOVONHL-ZFWWWQNUSA-N 2 2 351.520 2.209 20 30 FEEDLP [O-]C(NCC1([NH+]2CCSCC2)CCCC1)=[NH+][C@@H]1CCn2cc[nH+]c2C1 ZINC000330168685 554077515 /nfs/dbraw/zinc/07/75/15/554077515.db2.gz AYYJVWKJSCYGED-OAHLLOKOSA-N 2 2 363.531 2.063 20 30 FEEDLP O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330168685 554077520 /nfs/dbraw/zinc/07/75/20/554077520.db2.gz AYYJVWKJSCYGED-OAHLLOKOSA-N 2 2 363.531 2.063 20 30 FEEDLP CN1CC[NH+](CC2(C)CC[NH+]([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000332116460 554383726 /nfs/dbraw/zinc/38/37/26/554383726.db2.gz KEDUKKSAJKIDPS-LJQANCHMSA-N 2 2 369.513 2.484 20 30 FEEDLP C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452969 555108979 /nfs/dbraw/zinc/10/89/79/555108979.db2.gz OSQXAIPXFVPSSW-UHFFFAOYSA-N 2 2 356.470 2.072 20 30 FEEDLP C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452969 555108982 /nfs/dbraw/zinc/10/89/82/555108982.db2.gz OSQXAIPXFVPSSW-UHFFFAOYSA-N 2 2 356.470 2.072 20 30 FEEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c(C#N)c1C ZINC000368418870 556303875 /nfs/dbraw/zinc/30/38/75/556303875.db2.gz YZEQOJNHAWPSOL-RPVQJOFSSA-N 2 2 374.485 2.186 20 30 FEEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c(C#N)c1C ZINC000368418870 556303877 /nfs/dbraw/zinc/30/38/77/556303877.db2.gz YZEQOJNHAWPSOL-RPVQJOFSSA-N 2 2 374.485 2.186 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NCCNc2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000623635116 556459923 /nfs/dbraw/zinc/45/99/23/556459923.db2.gz VLAHOIPYHKXPCP-UHFFFAOYSA-N 2 2 360.506 2.270 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCC[N@@H+]2C)cn1 ZINC000369479060 556607806 /nfs/dbraw/zinc/60/78/06/556607806.db2.gz RBBLMOLNIMCQIP-OXJNMPFZSA-N 2 2 363.469 2.112 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCC[N@H+]2C)cn1 ZINC000369479060 556607809 /nfs/dbraw/zinc/60/78/09/556607809.db2.gz RBBLMOLNIMCQIP-OXJNMPFZSA-N 2 2 363.469 2.112 20 30 FEEDLP C=CCCO[C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376681212 558207479 /nfs/dbraw/zinc/20/74/79/558207479.db2.gz QHWVDKZJWXAGRH-IRXDYDNUSA-N 2 2 360.502 2.355 20 30 FEEDLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433282525 559875637 /nfs/dbraw/zinc/87/56/37/559875637.db2.gz BHJUIUFVWGKBRQ-QGZVFWFLSA-N 2 2 372.513 2.005 20 30 FEEDLP C[C@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433282525 559875638 /nfs/dbraw/zinc/87/56/38/559875638.db2.gz BHJUIUFVWGKBRQ-QGZVFWFLSA-N 2 2 372.513 2.005 20 30 FEEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433305633 559876469 /nfs/dbraw/zinc/87/64/69/559876469.db2.gz OGFSKUCNFROGNR-KRWDZBQOSA-N 2 2 368.485 2.059 20 30 FEEDLP C=CCN(CC=C)C(=O)CN(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435691962 559928152 /nfs/dbraw/zinc/92/81/52/559928152.db2.gz NMDFRXZVVSDZQA-SFHVURJKSA-N 2 2 371.529 2.048 20 30 FEEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450229069 560254820 /nfs/dbraw/zinc/25/48/20/560254820.db2.gz WEAYQBIMDKFRFP-ZRNYENFQSA-N 2 2 363.546 2.373 20 30 FEEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450229069 560254821 /nfs/dbraw/zinc/25/48/21/560254821.db2.gz WEAYQBIMDKFRFP-ZRNYENFQSA-N 2 2 363.546 2.373 20 30 FEEDLP N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000459444841 560686799 /nfs/dbraw/zinc/68/67/99/560686799.db2.gz BFRPCDWRBAXIIO-FUHWJXTLSA-N 2 2 358.511 2.456 20 30 FEEDLP N#C[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000459453928 560687315 /nfs/dbraw/zinc/68/73/15/560687315.db2.gz DHAGMKOXWNQRAL-FUHWJXTLSA-N 2 2 360.889 2.266 20 30 FEEDLP C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000528426415 562328674 /nfs/dbraw/zinc/32/86/74/562328674.db2.gz SZDYIQITPPDXQT-QFBILLFUSA-N 2 2 362.433 2.066 20 30 FEEDLP C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000528426415 562328675 /nfs/dbraw/zinc/32/86/75/562328675.db2.gz SZDYIQITPPDXQT-QFBILLFUSA-N 2 2 362.433 2.066 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)cc1 ZINC000568507566 568051675 /nfs/dbraw/zinc/05/16/75/568051675.db2.gz AEYOQAZSNKMXHW-UHFFFAOYSA-N 2 2 363.465 2.044 20 30 FEEDLP N#CCCC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000573442777 671123361 /nfs/dbraw/zinc/12/33/61/671123361.db2.gz OTHYMBSPAUIIFW-UHFFFAOYSA-N 2 2 360.527 2.408 20 30 FEEDLP Cc1cc(Br)cn2cc(CCNC3=[NH+]CCCN3C)[nH+]c12 ZINC000263196666 672929993 /nfs/dbraw/zinc/92/99/93/672929993.db2.gz WOEWLEBHVYLEPY-UHFFFAOYSA-N 2 2 350.264 2.229 20 30 FEEDLP C=CCCOCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290198 679674455 /nfs/dbraw/zinc/67/44/55/679674455.db2.gz IKAZLAGQQFEBBV-RTBURBONSA-N 2 2 351.535 2.375 20 30 FEEDLP C=CCCOCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290198 679674456 /nfs/dbraw/zinc/67/44/56/679674456.db2.gz IKAZLAGQQFEBBV-RTBURBONSA-N 2 2 351.535 2.375 20 30 FEEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)CC2)s1 ZINC000996683604 680338494 /nfs/dbraw/zinc/33/84/94/680338494.db2.gz FLBVVJFNCWOOPU-HZPDHXFCSA-N 2 2 355.467 2.227 20 30 FEEDLP N#Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)CC2)s1 ZINC000996683604 680338497 /nfs/dbraw/zinc/33/84/97/680338497.db2.gz FLBVVJFNCWOOPU-HZPDHXFCSA-N 2 2 355.467 2.227 20 30 FEEDLP C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005411473 680574609 /nfs/dbraw/zinc/57/46/09/680574609.db2.gz CBNQYDQPHBSQPZ-UKRRQHHQSA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001005411473 680574610 /nfs/dbraw/zinc/57/46/10/680574610.db2.gz CBNQYDQPHBSQPZ-UKRRQHHQSA-N 2 2 358.324 2.158 20 30 FEEDLP CCCC[C@H](ON=C(C)C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000768129243 680938693 /nfs/dbraw/zinc/93/86/93/680938693.db2.gz YLKOEZGFZXTOOH-SFHVURJKSA-N 2 2 354.539 2.442 20 30 FEEDLP CCCC[C@H](ON=C(C)C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000768129243 680938694 /nfs/dbraw/zinc/93/86/94/680938694.db2.gz YLKOEZGFZXTOOH-SFHVURJKSA-N 2 2 354.539 2.442 20 30 FEEDLP C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926027135 683065376 /nfs/dbraw/zinc/06/53/76/683065376.db2.gz UYDDDSMFYAJFMY-AWEZNQCLSA-N 2 2 361.515 2.483 20 30 FEEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164789009 721422487 /nfs/dbraw/zinc/42/24/87/721422487.db2.gz UFCJGNZXABROAG-OKILXGFUSA-N 2 2 350.451 2.459 20 30 FEEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164789009 721422489 /nfs/dbraw/zinc/42/24/89/721422489.db2.gz UFCJGNZXABROAG-OKILXGFUSA-N 2 2 350.451 2.459 20 30 FEEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(OC)cc1 ZINC000064508802 541209503 /nfs/dbraw/zinc/20/95/03/541209503.db2.gz SWHMFCGUMPKYKS-UHFFFAOYSA-N 2 2 357.498 2.426 20 30 FEEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(OC)cc1 ZINC000064508802 541209505 /nfs/dbraw/zinc/20/95/05/541209505.db2.gz SWHMFCGUMPKYKS-UHFFFAOYSA-N 2 2 357.498 2.426 20 30 FEEDLP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000065441219 541238661 /nfs/dbraw/zinc/23/86/61/541238661.db2.gz ARJTTZBBZYVWPD-HXUWFJFHSA-N 2 2 369.513 2.116 20 30 FEEDLP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000065441219 541238664 /nfs/dbraw/zinc/23/86/64/541238664.db2.gz ARJTTZBBZYVWPD-HXUWFJFHSA-N 2 2 369.513 2.116 20 30 FEEDLP CC1CC[NH+](C[C@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000118832774 543660169 /nfs/dbraw/zinc/66/01/69/543660169.db2.gz QOBMTKRBQYTGRD-LJQANCHMSA-N 2 2 359.518 2.086 20 30 FEEDLP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000118832774 543660172 /nfs/dbraw/zinc/66/01/72/543660172.db2.gz QOBMTKRBQYTGRD-LJQANCHMSA-N 2 2 359.518 2.086 20 30 FEEDLP C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127777645 544013413 /nfs/dbraw/zinc/01/34/13/544013413.db2.gz UEFLGKSSYRJJKX-IRXDYDNUSA-N 2 2 365.543 2.313 20 30 FEEDLP C[NH+]=C(NCc1c(C)noc1C)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000156089944 545598852 /nfs/dbraw/zinc/59/88/52/545598852.db2.gz LLLFIMUFRFTPSF-LBPRGKRZSA-N 2 2 361.515 2.465 20 30 FEEDLP C[NH+]=C(NCc1c(C)noc1C)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000156089944 545598857 /nfs/dbraw/zinc/59/88/57/545598857.db2.gz LLLFIMUFRFTPSF-LBPRGKRZSA-N 2 2 361.515 2.465 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000174897796 546304590 /nfs/dbraw/zinc/30/45/90/546304590.db2.gz AOMDBSJTVAMQHZ-UHFFFAOYSA-N 2 2 368.525 2.492 20 30 FEEDLP [NH2+]=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccn1 ZINC000178148994 546746831 /nfs/dbraw/zinc/74/68/31/546746831.db2.gz YGPCEIMTUMOMKL-UHFFFAOYSA-N 2 2 358.877 2.284 20 30 FEEDLP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000484744415 561305163 /nfs/dbraw/zinc/30/51/63/561305163.db2.gz YWTVSBAGEYJCBL-OAQYLSRUSA-N 2 2 373.497 2.205 20 30 FEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1Cl ZINC000486022363 561335586 /nfs/dbraw/zinc/33/55/86/561335586.db2.gz CNGSOJWSAMVDGP-INIZCTEOSA-N 2 2 363.889 2.301 20 30 FEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1Cl ZINC000486022363 561335587 /nfs/dbraw/zinc/33/55/87/561335587.db2.gz CNGSOJWSAMVDGP-INIZCTEOSA-N 2 2 363.889 2.301 20 30 FEEDLP C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261972143 549775346 /nfs/dbraw/zinc/77/53/46/549775346.db2.gz NBKDTRJFMAZPPP-UKRRQHHQSA-N 2 2 357.487 2.251 20 30 FEEDLP COc1ccc(C)cc1NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266997371 550026365 /nfs/dbraw/zinc/02/63/65/550026365.db2.gz FMQPGJVRWVDJHC-UHFFFAOYSA-N 2 2 370.453 2.341 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000275009366 550569985 /nfs/dbraw/zinc/56/99/85/550569985.db2.gz DWZXJZWESUEBGL-MSOLQXFVSA-N 2 2 355.486 2.061 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000275009366 550569986 /nfs/dbraw/zinc/56/99/86/550569986.db2.gz DWZXJZWESUEBGL-MSOLQXFVSA-N 2 2 355.486 2.061 20 30 FEEDLP CC(C)SCCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000282188309 551192300 /nfs/dbraw/zinc/19/23/00/551192300.db2.gz HANYPHXDIFJERO-UHFFFAOYSA-N 2 2 351.516 2.422 20 30 FEEDLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968386 552775651 /nfs/dbraw/zinc/77/56/51/552775651.db2.gz MCTZXLJDKQMHFE-CTNGQTDRSA-N 2 2 352.482 2.471 20 30 FEEDLP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968386 552775652 /nfs/dbraw/zinc/77/56/52/552775652.db2.gz MCTZXLJDKQMHFE-CTNGQTDRSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968386 552775654 /nfs/dbraw/zinc/77/56/54/552775654.db2.gz MCTZXLJDKQMHFE-CTNGQTDRSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968386 552775656 /nfs/dbraw/zinc/77/56/56/552775656.db2.gz MCTZXLJDKQMHFE-CTNGQTDRSA-N 2 2 352.482 2.471 20 30 FEEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296841936 553218982 /nfs/dbraw/zinc/21/89/82/553218982.db2.gz JHPZQOJJPUMZHS-KRWDZBQOSA-N 2 2 357.502 2.064 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296841936 553218984 /nfs/dbraw/zinc/21/89/84/553218984.db2.gz JHPZQOJJPUMZHS-KRWDZBQOSA-N 2 2 357.502 2.064 20 30 FEEDLP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328903116 553842090 /nfs/dbraw/zinc/84/20/90/553842090.db2.gz HLEQZGJLYDMGAW-WDSOQIARSA-N 2 2 354.454 2.037 20 30 FEEDLP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000328903116 553842091 /nfs/dbraw/zinc/84/20/91/553842091.db2.gz HLEQZGJLYDMGAW-WDSOQIARSA-N 2 2 354.454 2.037 20 30 FEEDLP C[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@H]1[NH+](C)C ZINC000329132564 553886511 /nfs/dbraw/zinc/88/65/11/553886511.db2.gz ATKYIGKTOVONHL-DZGCQCFKSA-N 2 2 351.520 2.209 20 30 FEEDLP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000329349811 553929829 /nfs/dbraw/zinc/92/98/29/553929829.db2.gz WPSHCOZEWTWMFG-UHFFFAOYSA-N 2 2 358.486 2.257 20 30 FEEDLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000329951637 554038010 /nfs/dbraw/zinc/03/80/10/554038010.db2.gz MOPAHXOGZREYAA-LJQANCHMSA-N 2 2 366.550 2.254 20 30 FEEDLP O=C(CN1CC[NH+](Cc2cccc(O)c2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000330152680 554074627 /nfs/dbraw/zinc/07/46/27/554074627.db2.gz MEMRECNBWJUSDE-UHFFFAOYSA-N 2 2 372.513 2.093 20 30 FEEDLP C=CCn1c(C2CC2)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000508715972 561770468 /nfs/dbraw/zinc/77/04/68/561770468.db2.gz QEZUIJRSJPQNCS-UHFFFAOYSA-N 2 2 358.534 2.336 20 30 FEEDLP CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364154502 555259525 /nfs/dbraw/zinc/25/95/25/555259525.db2.gz FHVWRTJUGLDRRN-FQEVSTJZSA-N 2 2 366.509 2.217 20 30 FEEDLP CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364154502 555259526 /nfs/dbraw/zinc/25/95/26/555259526.db2.gz FHVWRTJUGLDRRN-FQEVSTJZSA-N 2 2 366.509 2.217 20 30 FEEDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1C#N ZINC000369671137 556664823 /nfs/dbraw/zinc/66/48/23/556664823.db2.gz DAVYDNASXSTLQE-UZLBHIALSA-N 2 2 353.470 2.473 20 30 FEEDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1C#N ZINC000369671137 556664825 /nfs/dbraw/zinc/66/48/25/556664825.db2.gz DAVYDNASXSTLQE-UZLBHIALSA-N 2 2 353.470 2.473 20 30 FEEDLP Cc1oc(NC(=O)C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000371374153 557165311 /nfs/dbraw/zinc/16/53/11/557165311.db2.gz PRINIYMUUFZNMM-UHFFFAOYSA-N 2 2 374.485 2.141 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372478313 557480809 /nfs/dbraw/zinc/48/08/09/557480809.db2.gz QBXIMHMMHYDTLH-YDZRNGNQSA-N 2 2 351.535 2.279 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372478313 557480812 /nfs/dbraw/zinc/48/08/12/557480812.db2.gz QBXIMHMMHYDTLH-YDZRNGNQSA-N 2 2 351.535 2.279 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507430 557707886 /nfs/dbraw/zinc/70/78/86/557707886.db2.gz IAHSYEDIVWTFHQ-OALUTQOASA-N 2 2 354.498 2.359 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507430 557707889 /nfs/dbraw/zinc/70/78/89/557707889.db2.gz IAHSYEDIVWTFHQ-OALUTQOASA-N 2 2 354.498 2.359 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011729 557963689 /nfs/dbraw/zinc/96/36/89/557963689.db2.gz HXJRGCGIVFAHAP-NRFANRHFSA-N 2 2 371.529 2.075 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011729 557963687 /nfs/dbraw/zinc/96/36/87/557963687.db2.gz HXJRGCGIVFAHAP-NRFANRHFSA-N 2 2 371.529 2.075 20 30 FEEDLP C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1 ZINC000375517606 558041990 /nfs/dbraw/zinc/04/19/90/558041990.db2.gz XBALDVFOBPFFHF-WIBUTAKZSA-N 2 2 352.438 2.103 20 30 FEEDLP C[C@@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C#N)c1 ZINC000462022812 560793217 /nfs/dbraw/zinc/79/32/17/560793217.db2.gz HIHNARIVGVJNDF-MRXNPFEDSA-N 2 2 354.498 2.337 20 30 FEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399345 562326807 /nfs/dbraw/zinc/32/68/07/562326807.db2.gz VVWVPUYUAXVJRG-IAGOWNOFSA-N 2 2 353.466 2.091 20 30 FEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399345 562326808 /nfs/dbraw/zinc/32/68/08/562326808.db2.gz VVWVPUYUAXVJRG-IAGOWNOFSA-N 2 2 353.466 2.091 20 30 FEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399345 562326809 /nfs/dbraw/zinc/32/68/09/562326809.db2.gz VVWVPUYUAXVJRG-IAGOWNOFSA-N 2 2 353.466 2.091 20 30 FEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399345 562326810 /nfs/dbraw/zinc/32/68/10/562326810.db2.gz VVWVPUYUAXVJRG-IAGOWNOFSA-N 2 2 353.466 2.091 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603294466 673922910 /nfs/dbraw/zinc/92/29/10/673922910.db2.gz VBYFTXPVPWJHFH-ZDUSSCGKSA-N 2 2 364.291 2.296 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603294466 673922915 /nfs/dbraw/zinc/92/29/15/673922915.db2.gz VBYFTXPVPWJHFH-ZDUSSCGKSA-N 2 2 364.291 2.296 20 30 FEEDLP C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011405 541729922 /nfs/dbraw/zinc/72/99/22/541729922.db2.gz NPPCDYAULFLIFR-CTNGQTDRSA-N 2 2 374.525 2.199 20 30 FEEDLP C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011405 541729924 /nfs/dbraw/zinc/72/99/24/541729924.db2.gz NPPCDYAULFLIFR-CTNGQTDRSA-N 2 2 374.525 2.199 20 30 FEEDLP Cc1csc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)n1 ZINC000088520259 542752307 /nfs/dbraw/zinc/75/23/07/542752307.db2.gz KDZPWRJZJWURFO-UHFFFAOYSA-N 2 2 360.483 2.245 20 30 FEEDLP CN(C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)C1(C#N)CCCCC1 ZINC000106166390 543211214 /nfs/dbraw/zinc/21/12/14/543211214.db2.gz CRUOGCKQTXNAOZ-UHFFFAOYSA-N 2 2 357.502 2.359 20 30 FEEDLP C[NH+](C)CCCC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000123449576 543762676 /nfs/dbraw/zinc/76/26/76/543762676.db2.gz QZUGPYUCZNITCM-UHFFFAOYSA-N 2 2 363.527 2.386 20 30 FEEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124845016 543846782 /nfs/dbraw/zinc/84/67/82/543846782.db2.gz ACIGBYUFAFEGJN-MOPGFXCFSA-N 2 2 357.502 2.296 20 30 FEEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124845016 543846785 /nfs/dbraw/zinc/84/67/85/543846785.db2.gz ACIGBYUFAFEGJN-MOPGFXCFSA-N 2 2 357.502 2.296 20 30 FEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000090004049 325349621 /nfs/dbraw/zinc/34/96/21/325349621.db2.gz SLZNZTGHIPTQMN-QGZVFWFLSA-N 2 2 372.494 2.020 20 30 FEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000090004049 325349623 /nfs/dbraw/zinc/34/96/23/325349623.db2.gz SLZNZTGHIPTQMN-QGZVFWFLSA-N 2 2 372.494 2.020 20 30 FEEDLP C[C@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328636924 526196391 /nfs/dbraw/zinc/19/63/91/526196391.db2.gz OIWDXMRXCASHBO-HLLBOEOZSA-N 2 2 371.489 2.202 20 30 FEEDLP C[C@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328636924 526196400 /nfs/dbraw/zinc/19/64/00/526196400.db2.gz OIWDXMRXCASHBO-HLLBOEOZSA-N 2 2 371.489 2.202 20 30 FEEDLP C[C@H](C(=O)Nc1ncccn1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328636924 526196409 /nfs/dbraw/zinc/19/64/09/526196409.db2.gz OIWDXMRXCASHBO-HLLBOEOZSA-N 2 2 371.489 2.202 20 30 FEEDLP C[C@H](C(=O)Nc1ncccn1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328636924 526196418 /nfs/dbraw/zinc/19/64/18/526196418.db2.gz OIWDXMRXCASHBO-HLLBOEOZSA-N 2 2 371.489 2.202 20 30 FEEDLP CC[NH+]=C(NCc1ccnc(OC)c1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160103310 546007484 /nfs/dbraw/zinc/00/74/84/546007484.db2.gz IHEJCEIECQRMQY-RDJZCZTQSA-N 2 2 356.474 2.335 20 30 FEEDLP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000177056933 546535241 /nfs/dbraw/zinc/53/52/41/546535241.db2.gz AUFPLJNLXKNPEL-MRXNPFEDSA-N 2 2 369.494 2.413 20 30 FEEDLP C=CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1Cl ZINC000486022364 561335522 /nfs/dbraw/zinc/33/55/22/561335522.db2.gz CNGSOJWSAMVDGP-MRXNPFEDSA-N 2 2 363.889 2.301 20 30 FEEDLP C=CCOc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1Cl ZINC000486022364 561335523 /nfs/dbraw/zinc/33/55/23/561335523.db2.gz CNGSOJWSAMVDGP-MRXNPFEDSA-N 2 2 363.889 2.301 20 30 FEEDLP CN(C(=O)CSCC#N)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245715797 548981313 /nfs/dbraw/zinc/98/13/13/548981313.db2.gz OOSKEMYMULGFSV-IAGOWNOFSA-N 2 2 352.548 2.039 20 30 FEEDLP CN(C(=O)CSCC#N)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245715797 548981314 /nfs/dbraw/zinc/98/13/14/548981314.db2.gz OOSKEMYMULGFSV-IAGOWNOFSA-N 2 2 352.548 2.039 20 30 FEEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000489444252 561411404 /nfs/dbraw/zinc/41/14/04/561411404.db2.gz WDXSDQIYUXLVNA-FQEVSTJZSA-N 2 2 369.509 2.306 20 30 FEEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000489444252 561411405 /nfs/dbraw/zinc/41/14/05/561411405.db2.gz WDXSDQIYUXLVNA-FQEVSTJZSA-N 2 2 369.509 2.306 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000249422644 549589793 /nfs/dbraw/zinc/58/97/93/549589793.db2.gz HVWQNZXMCKZOBE-HOCLYGCPSA-N 2 2 364.515 2.285 20 30 FEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000249422644 549589796 /nfs/dbraw/zinc/58/97/96/549589796.db2.gz HVWQNZXMCKZOBE-HOCLYGCPSA-N 2 2 364.515 2.285 20 30 FEEDLP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000491028756 561442080 /nfs/dbraw/zinc/44/20/80/561442080.db2.gz GCAUWBPDNRYMPZ-UHFFFAOYSA-N 2 2 357.502 2.117 20 30 FEEDLP CCCC[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000491028756 561442081 /nfs/dbraw/zinc/44/20/81/561442081.db2.gz GCAUWBPDNRYMPZ-UHFFFAOYSA-N 2 2 357.502 2.117 20 30 FEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000266064592 550016784 /nfs/dbraw/zinc/01/67/84/550016784.db2.gz BMIPOOBXHHOIDZ-INIZCTEOSA-N 2 2 365.543 2.352 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(OCC#N)c1 ZINC000266383137 550020056 /nfs/dbraw/zinc/02/00/56/550020056.db2.gz NCKBKHBHPKXXDY-UHFFFAOYSA-N 2 2 359.474 2.079 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(OCC#N)c1 ZINC000266383137 550020057 /nfs/dbraw/zinc/02/00/57/550020057.db2.gz NCKBKHBHPKXXDY-UHFFFAOYSA-N 2 2 359.474 2.079 20 30 FEEDLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000272638905 550462224 /nfs/dbraw/zinc/46/22/24/550462224.db2.gz XGDXHJOMWQWVCA-UHFFFAOYSA-N 2 2 354.498 2.265 20 30 FEEDLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000328784205 553821841 /nfs/dbraw/zinc/82/18/41/553821841.db2.gz VPNKIRUSPIPTLV-RDJZCZTQSA-N 2 2 363.481 2.163 20 30 FEEDLP C=CCn1c(CC2CC2)nnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000508886746 561776728 /nfs/dbraw/zinc/77/67/28/561776728.db2.gz DPKVSKBDGLABMU-UHFFFAOYSA-N 2 2 372.561 2.411 20 30 FEEDLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@H]32)nc[nH+]1 ZINC000360054777 554861515 /nfs/dbraw/zinc/86/15/15/554861515.db2.gz GHWUSVOMJTZJSJ-SFFUCWETSA-N 2 2 370.501 2.317 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC#Cc3cccc(F)c3)CC2)CC1 ZINC000511479430 561870408 /nfs/dbraw/zinc/87/04/08/561870408.db2.gz UXHGIAAMNIUTSI-UHFFFAOYSA-N 2 2 372.488 2.035 20 30 FEEDLP C[NH+](CC#CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367218668 556003438 /nfs/dbraw/zinc/00/34/38/556003438.db2.gz SSMYRTYKHXJKCL-JEYFUZRVSA-N 4 2 358.574 2.104 20 30 FEEDLP C[NH+](CC#CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367218668 556003440 /nfs/dbraw/zinc/00/34/40/556003440.db2.gz SSMYRTYKHXJKCL-JEYFUZRVSA-N 4 2 358.574 2.104 20 30 FEEDLP CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367586396 556089974 /nfs/dbraw/zinc/08/99/74/556089974.db2.gz OVQRFJRWESIMTF-INIZCTEOSA-N 2 2 360.889 2.452 20 30 FEEDLP CN(C(=O)c1cc(C#N)ccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367586396 556089978 /nfs/dbraw/zinc/08/99/78/556089978.db2.gz OVQRFJRWESIMTF-INIZCTEOSA-N 2 2 360.889 2.452 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417262 556302271 /nfs/dbraw/zinc/30/22/71/556302271.db2.gz QMESTDBXNWCCAR-RNIPGJKVSA-N 2 2 370.497 2.364 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417262 556302272 /nfs/dbraw/zinc/30/22/72/556302272.db2.gz QMESTDBXNWCCAR-RNIPGJKVSA-N 2 2 370.497 2.364 20 30 FEEDLP C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372560 556583035 /nfs/dbraw/zinc/58/30/35/556583035.db2.gz JZVRRBUBYUNKDW-SFHVURJKSA-N 2 2 372.513 2.219 20 30 FEEDLP C=CCOc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372560 556583036 /nfs/dbraw/zinc/58/30/36/556583036.db2.gz JZVRRBUBYUNKDW-SFHVURJKSA-N 2 2 372.513 2.219 20 30 FEEDLP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369515482 556617386 /nfs/dbraw/zinc/61/73/86/556617386.db2.gz JPGWFMWGOHJXCJ-MSOLQXFVSA-N 2 2 373.545 2.168 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000519235131 562127848 /nfs/dbraw/zinc/12/78/48/562127848.db2.gz YLIQVPNHVPVVII-RLLQIKCJSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000519235131 562127849 /nfs/dbraw/zinc/12/78/49/562127849.db2.gz YLIQVPNHVPVVII-RLLQIKCJSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000519235131 562127850 /nfs/dbraw/zinc/12/78/50/562127850.db2.gz YLIQVPNHVPVVII-RLLQIKCJSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000519235131 562127851 /nfs/dbraw/zinc/12/78/51/562127851.db2.gz YLIQVPNHVPVVII-RLLQIKCJSA-N 2 2 366.509 2.391 20 30 FEEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000375509062 558040300 /nfs/dbraw/zinc/04/03/00/558040300.db2.gz KBYAZLDOUJCYEQ-RHSMWYFYSA-N 2 2 363.531 2.014 20 30 FEEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000375509062 558040301 /nfs/dbraw/zinc/04/03/01/558040301.db2.gz KBYAZLDOUJCYEQ-RHSMWYFYSA-N 2 2 363.531 2.014 20 30 FEEDLP C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376449176 558174590 /nfs/dbraw/zinc/17/45/90/558174590.db2.gz LXXCRUXMXMUGCN-AWEZNQCLSA-N 2 2 372.904 2.464 20 30 FEEDLP C[C@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376449176 558174592 /nfs/dbraw/zinc/17/45/92/558174592.db2.gz LXXCRUXMXMUGCN-AWEZNQCLSA-N 2 2 372.904 2.464 20 30 FEEDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413215343 559089032 /nfs/dbraw/zinc/08/90/32/559089032.db2.gz AEOLJMVEHBQVOP-HNNXBMFYSA-N 2 2 357.458 2.380 20 30 FEEDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413215343 559089034 /nfs/dbraw/zinc/08/90/34/559089034.db2.gz AEOLJMVEHBQVOP-HNNXBMFYSA-N 2 2 357.458 2.380 20 30 FEEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000435023545 559914629 /nfs/dbraw/zinc/91/46/29/559914629.db2.gz LLOVSJWQEWDEPC-MOPGFXCFSA-N 2 2 359.470 2.205 20 30 FEEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000435023545 559914630 /nfs/dbraw/zinc/91/46/30/559914630.db2.gz LLOVSJWQEWDEPC-MOPGFXCFSA-N 2 2 359.470 2.205 20 30 FEEDLP Cc1cc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1C#N ZINC000443982065 560098317 /nfs/dbraw/zinc/09/83/17/560098317.db2.gz UVXBVEJLACGHDC-UHFFFAOYSA-N 2 2 363.465 2.090 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC1 ZINC000449498394 560231706 /nfs/dbraw/zinc/23/17/06/560231706.db2.gz LGFMTCZRQHTHMT-QGZVFWFLSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC1 ZINC000449498394 560231707 /nfs/dbraw/zinc/23/17/07/560231707.db2.gz LGFMTCZRQHTHMT-QGZVFWFLSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000449498394 560231708 /nfs/dbraw/zinc/23/17/08/560231708.db2.gz LGFMTCZRQHTHMT-QGZVFWFLSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000449498394 560231709 /nfs/dbraw/zinc/23/17/09/560231709.db2.gz LGFMTCZRQHTHMT-QGZVFWFLSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494042 560231791 /nfs/dbraw/zinc/23/17/91/560231791.db2.gz FYUWUPZZLHIQPN-NRFANRHFSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494042 560231792 /nfs/dbraw/zinc/23/17/92/560231792.db2.gz FYUWUPZZLHIQPN-NRFANRHFSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494042 560231793 /nfs/dbraw/zinc/23/17/93/560231793.db2.gz FYUWUPZZLHIQPN-NRFANRHFSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494042 560231794 /nfs/dbraw/zinc/23/17/94/560231794.db2.gz FYUWUPZZLHIQPN-NRFANRHFSA-N 2 2 354.498 2.324 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026599 560283147 /nfs/dbraw/zinc/28/31/47/560283147.db2.gz LOSHBMGBVPZVSZ-IRXDYDNUSA-N 2 2 358.486 2.190 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026599 560283148 /nfs/dbraw/zinc/28/31/48/560283148.db2.gz LOSHBMGBVPZVSZ-IRXDYDNUSA-N 2 2 358.486 2.190 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026595 560283251 /nfs/dbraw/zinc/28/32/51/560283251.db2.gz LOSHBMGBVPZVSZ-DLBZAZTESA-N 2 2 358.486 2.190 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026595 560283252 /nfs/dbraw/zinc/28/32/52/560283252.db2.gz LOSHBMGBVPZVSZ-DLBZAZTESA-N 2 2 358.486 2.190 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336770 562407419 /nfs/dbraw/zinc/40/74/19/562407419.db2.gz VFXZMKJDWOBHDL-ZIFCJYIRSA-N 2 2 354.498 2.438 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336770 562407420 /nfs/dbraw/zinc/40/74/20/562407420.db2.gz VFXZMKJDWOBHDL-ZIFCJYIRSA-N 2 2 354.498 2.438 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1ccc(Cl)s1 ZINC000087208647 670685921 /nfs/dbraw/zinc/68/59/21/670685921.db2.gz COAZUNDLPYKVLH-UHFFFAOYSA-N 2 2 354.911 2.408 20 30 FEEDLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3nc(C#N)cs3)cc2)CC1 ZINC000571485183 670880614 /nfs/dbraw/zinc/88/06/14/670880614.db2.gz GJJHDYVGFBVGGK-UHFFFAOYSA-N 2 2 355.511 2.442 20 30 FEEDLP COc1ccc(NC(=[NH2+])NC[C@@H](C(C)C)[NH+]2CCOCC2)cc1Cl ZINC000303783930 673017551 /nfs/dbraw/zinc/01/75/51/673017551.db2.gz ORKVZQQUUILIGP-HNNXBMFYSA-N 2 2 354.882 2.432 20 30 FEEDLP C[NH+]=C(NCCc1cn2cc(Br)cc(C)c2[nH+]1)NC1CC1 ZINC000849081959 681651085 /nfs/dbraw/zinc/65/10/85/681651085.db2.gz RWJYTIKBVGUTOE-UHFFFAOYSA-N 2 2 350.264 2.275 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1SCC#N ZINC000918699479 685541126 /nfs/dbraw/zinc/54/11/26/685541126.db2.gz JGDTWPLGGPEGPY-UHFFFAOYSA-N 2 2 360.527 2.400 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1SCC#N ZINC000918699479 685541127 /nfs/dbraw/zinc/54/11/27/685541127.db2.gz JGDTWPLGGPEGPY-UHFFFAOYSA-N 2 2 360.527 2.400 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(C#N)c3)CC2)CC1 ZINC000891949467 689130158 /nfs/dbraw/zinc/13/01/58/689130158.db2.gz SFRFPFMMNYGNKY-UHFFFAOYSA-N 2 2 360.527 2.386 20 30 FEEDLP C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000901271347 690631652 /nfs/dbraw/zinc/63/16/52/690631652.db2.gz TXVZGOHXUUGKEM-QZTJIDSGSA-N 2 2 365.905 2.336 20 30 FEEDLP C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000901271347 690631654 /nfs/dbraw/zinc/63/16/54/690631654.db2.gz TXVZGOHXUUGKEM-QZTJIDSGSA-N 2 2 365.905 2.336 20 30 FEEDLP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000054510219 540593410 /nfs/dbraw/zinc/59/34/10/540593410.db2.gz BYXNEQRZHPNKDO-FQEVSTJZSA-N 2 2 369.513 2.117 20 30 FEEDLP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000054510219 540593414 /nfs/dbraw/zinc/59/34/14/540593414.db2.gz BYXNEQRZHPNKDO-FQEVSTJZSA-N 2 2 369.513 2.117 20 30 FEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006009 542623230 /nfs/dbraw/zinc/62/32/30/542623230.db2.gz JPSVCNZGHMAYPE-UHFFFAOYSA-N 2 2 358.530 2.445 20 30 FEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006009 542623235 /nfs/dbraw/zinc/62/32/35/542623235.db2.gz JPSVCNZGHMAYPE-UHFFFAOYSA-N 2 2 358.530 2.445 20 30 FEEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080983686 542622082 /nfs/dbraw/zinc/62/20/82/542622082.db2.gz OROZBZILASBGGG-UHFFFAOYSA-N 2 2 355.486 2.325 20 30 FEEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080983686 542622084 /nfs/dbraw/zinc/62/20/84/542622084.db2.gz OROZBZILASBGGG-UHFFFAOYSA-N 2 2 355.486 2.325 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NCCCCNc2cccc[nH+]2)cc1OC ZINC000104192069 543126199 /nfs/dbraw/zinc/12/61/99/543126199.db2.gz GIMAHQWJOVFQPW-UHFFFAOYSA-N 2 2 357.458 2.395 20 30 FEEDLP CN(C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000123578242 543770337 /nfs/dbraw/zinc/77/03/37/543770337.db2.gz UQWZAAIWCFBINM-QGZVFWFLSA-N 2 2 357.502 2.359 20 30 FEEDLP CN(C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000123578242 543770340 /nfs/dbraw/zinc/77/03/40/543770340.db2.gz UQWZAAIWCFBINM-QGZVFWFLSA-N 2 2 357.502 2.359 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153941502 544843226 /nfs/dbraw/zinc/84/32/26/544843226.db2.gz UFNSOOSUZJGPDT-ZCNNSNEGSA-N 2 2 364.578 2.290 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153941502 544843231 /nfs/dbraw/zinc/84/32/31/544843231.db2.gz UFNSOOSUZJGPDT-ZCNNSNEGSA-N 2 2 364.578 2.290 20 30 FEEDLP C#CCOc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000154375372 544898188 /nfs/dbraw/zinc/89/81/88/544898188.db2.gz RZCDJRJCJQVGPG-YOFSQIOKSA-N 2 2 367.493 2.082 20 30 FEEDLP C#CCOc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000154375372 544898192 /nfs/dbraw/zinc/89/81/92/544898192.db2.gz RZCDJRJCJQVGPG-YOFSQIOKSA-N 2 2 367.493 2.082 20 30 FEEDLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000264279317 329007062 /nfs/dbraw/zinc/00/70/62/329007062.db2.gz REEXSPPKHNYROT-MRXNPFEDSA-N 2 2 357.502 2.287 20 30 FEEDLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000264279317 329007063 /nfs/dbraw/zinc/00/70/63/329007063.db2.gz REEXSPPKHNYROT-MRXNPFEDSA-N 2 2 357.502 2.287 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H](CCC#N)c2ccccc2)CC1 ZINC000160687027 546063690 /nfs/dbraw/zinc/06/36/90/546063690.db2.gz CYTUXDNWBBCKPM-IBGZPJMESA-N 2 2 357.502 2.357 20 30 FEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000177056857 546535322 /nfs/dbraw/zinc/53/53/22/546535322.db2.gz QFIUWQNGFOPJDG-IBGZPJMESA-N 2 2 352.438 2.461 20 30 FEEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 ZINC000181464219 547318811 /nfs/dbraw/zinc/31/88/11/547318811.db2.gz QBVNRXLUOQCLQT-KRWDZBQOSA-N 2 2 350.470 2.211 20 30 FEEDLP C[NH+]1CCC(CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000264080651 549976656 /nfs/dbraw/zinc/97/66/56/549976656.db2.gz CVLPCCSVHKIYJO-UHFFFAOYSA-N 2 2 369.513 2.117 20 30 FEEDLP Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000267014843 550026828 /nfs/dbraw/zinc/02/68/28/550026828.db2.gz OFPBEARGPWVEKL-UHFFFAOYSA-N 2 2 372.444 2.149 20 30 FEEDLP C#CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000271658829 550393286 /nfs/dbraw/zinc/39/32/86/550393286.db2.gz CZJFRXLTQZQIGT-HXUWFJFHSA-N 2 2 362.477 2.475 20 30 FEEDLP COc1ccc(NC(=[NH2+])NCc2ccc(-n3cc[nH+]c3)nc2)cc1OC ZINC000303787846 553746121 /nfs/dbraw/zinc/74/61/21/553746121.db2.gz SYKPRUPJAUAMET-UHFFFAOYSA-N 2 2 352.398 2.211 20 30 FEEDLP C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858654 554020454 /nfs/dbraw/zinc/02/04/54/554020454.db2.gz OEIISPCUCMAKIG-WBVHZDCISA-N 2 2 360.458 2.352 20 30 FEEDLP C[NH+]1CCO[C@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858654 554020458 /nfs/dbraw/zinc/02/04/58/554020458.db2.gz OEIISPCUCMAKIG-WBVHZDCISA-N 2 2 360.458 2.352 20 30 FEEDLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858654 554020449 /nfs/dbraw/zinc/02/04/49/554020449.db2.gz OEIISPCUCMAKIG-WBVHZDCISA-N 2 2 360.458 2.352 20 30 FEEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000330245837 554092165 /nfs/dbraw/zinc/09/21/65/554092165.db2.gz XYJZIPNCZINPRX-ZACQAIPSSA-N 2 2 361.490 2.229 20 30 FEEDLP N#CCCN(C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000360925874 554895725 /nfs/dbraw/zinc/89/57/25/554895725.db2.gz HQHKOEAWDBZGNQ-YZGWKJHDSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000360925874 554895728 /nfs/dbraw/zinc/89/57/28/554895728.db2.gz HQHKOEAWDBZGNQ-YZGWKJHDSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000360925874 554895730 /nfs/dbraw/zinc/89/57/30/554895730.db2.gz HQHKOEAWDBZGNQ-YZGWKJHDSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000360925874 554895732 /nfs/dbraw/zinc/89/57/32/554895732.db2.gz HQHKOEAWDBZGNQ-YZGWKJHDSA-N 2 2 352.482 2.349 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364913565 555435276 /nfs/dbraw/zinc/43/52/76/555435276.db2.gz GVDUKANILBOPNN-QAPCUYQASA-N 2 2 362.543 2.452 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364913565 555435280 /nfs/dbraw/zinc/43/52/80/555435280.db2.gz GVDUKANILBOPNN-QAPCUYQASA-N 2 2 362.543 2.452 20 30 FEEDLP C=CCN(C(=O)NCc1c[nH+]cn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367851428 556154644 /nfs/dbraw/zinc/15/46/44/556154644.db2.gz VKBTZEGSEFIZQQ-SFHVURJKSA-N 2 2 353.470 2.392 20 30 FEEDLP C=CCN(C(=O)NCc1c[nH+]cn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367851428 556154647 /nfs/dbraw/zinc/15/46/47/556154647.db2.gz VKBTZEGSEFIZQQ-SFHVURJKSA-N 2 2 353.470 2.392 20 30 FEEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c(C#N)c1C ZINC000368418865 556303866 /nfs/dbraw/zinc/30/38/66/556303866.db2.gz YZEQOJNHAWPSOL-FDQGKXFDSA-N 2 2 374.485 2.186 20 30 FEEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c(C#N)c1C ZINC000368418865 556303868 /nfs/dbraw/zinc/30/38/68/556303868.db2.gz YZEQOJNHAWPSOL-FDQGKXFDSA-N 2 2 374.485 2.186 20 30 FEEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(C#N)c1C ZINC000368418868 556303894 /nfs/dbraw/zinc/30/38/94/556303894.db2.gz YZEQOJNHAWPSOL-QANKJYHBSA-N 2 2 374.485 2.186 20 30 FEEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(C#N)c1C ZINC000368418868 556303896 /nfs/dbraw/zinc/30/38/96/556303896.db2.gz YZEQOJNHAWPSOL-QANKJYHBSA-N 2 2 374.485 2.186 20 30 FEEDLP Cc1c(C#N)cccc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373166030 557642327 /nfs/dbraw/zinc/64/23/27/557642327.db2.gz KWWFVXWKAYFSSU-HNNXBMFYSA-N 2 2 355.486 2.499 20 30 FEEDLP Cc1c(C#N)cccc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373166030 557642330 /nfs/dbraw/zinc/64/23/30/557642330.db2.gz KWWFVXWKAYFSSU-HNNXBMFYSA-N 2 2 355.486 2.499 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 ZINC000374503959 557892277 /nfs/dbraw/zinc/89/22/77/557892277.db2.gz KFNZNVQOYWRSRD-WOJBJXKFSA-N 2 2 352.482 2.266 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CN4CCCC[C@H]4CO3)CC2)cc1 ZINC000376178697 558137271 /nfs/dbraw/zinc/13/72/71/558137271.db2.gz SVWJWZUPAIKIKP-VXKWHMMOSA-N 2 2 368.525 2.366 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377360225 558324770 /nfs/dbraw/zinc/32/47/70/558324770.db2.gz XUDUOQWDPGDWPO-IHPCNDPISA-N 2 2 357.502 2.061 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377360225 558324773 /nfs/dbraw/zinc/32/47/73/558324773.db2.gz XUDUOQWDPGDWPO-IHPCNDPISA-N 2 2 357.502 2.061 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377360225 558324777 /nfs/dbraw/zinc/32/47/77/558324777.db2.gz XUDUOQWDPGDWPO-IHPCNDPISA-N 2 2 357.502 2.061 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377360225 558324778 /nfs/dbraw/zinc/32/47/78/558324778.db2.gz XUDUOQWDPGDWPO-IHPCNDPISA-N 2 2 357.502 2.061 20 30 FEEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377641560 558384373 /nfs/dbraw/zinc/38/43/73/558384373.db2.gz OEWYNWOLCFPGJX-FQEVSTJZSA-N 2 2 354.498 2.118 20 30 FEEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377641560 558384376 /nfs/dbraw/zinc/38/43/76/558384376.db2.gz OEWYNWOLCFPGJX-FQEVSTJZSA-N 2 2 354.498 2.118 20 30 FEEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378369902 558541673 /nfs/dbraw/zinc/54/16/73/558541673.db2.gz MCAGKWHEEVHMGQ-QGZVFWFLSA-N 2 2 372.513 2.046 20 30 FEEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378369902 558541675 /nfs/dbraw/zinc/54/16/75/558541675.db2.gz MCAGKWHEEVHMGQ-QGZVFWFLSA-N 2 2 372.513 2.046 20 30 FEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378432906 558555987 /nfs/dbraw/zinc/55/59/87/558555987.db2.gz IHSJXJIXFCPDEX-LJQANCHMSA-N 2 2 371.481 2.207 20 30 FEEDLP CCCN1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000421348543 559539790 /nfs/dbraw/zinc/53/97/90/559539790.db2.gz HPMWMLKJXATUMI-LJQANCHMSA-N 2 2 354.498 2.371 20 30 FEEDLP CC[C@H](c1nnc(S[C@H](C#N)CC)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000436058062 559934479 /nfs/dbraw/zinc/93/44/79/559934479.db2.gz JKTQVTPCOLXBAE-LSDHHAIUSA-N 2 2 366.535 2.017 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452120564 560352357 /nfs/dbraw/zinc/35/23/57/560352357.db2.gz RRDIUZCOXDIVAO-MRXNPFEDSA-N 2 2 362.440 2.389 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452120564 560352358 /nfs/dbraw/zinc/35/23/58/560352358.db2.gz RRDIUZCOXDIVAO-MRXNPFEDSA-N 2 2 362.440 2.389 20 30 FEEDLP Cc1cc(C#N)cc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000455957948 560502148 /nfs/dbraw/zinc/50/21/48/560502148.db2.gz QXRAYUNCUSKQED-MRXNPFEDSA-N 2 2 355.486 2.499 20 30 FEEDLP Cc1cc(C#N)cc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000455957948 560502149 /nfs/dbraw/zinc/50/21/49/560502149.db2.gz QXRAYUNCUSKQED-MRXNPFEDSA-N 2 2 355.486 2.499 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000532948508 562493589 /nfs/dbraw/zinc/49/35/89/562493589.db2.gz HRHIEPLGJYOYRE-UHFFFAOYSA-N 2 2 354.498 2.074 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(C#N)c2)CC1 ZINC000532948508 562493590 /nfs/dbraw/zinc/49/35/90/562493590.db2.gz HRHIEPLGJYOYRE-UHFFFAOYSA-N 2 2 354.498 2.074 20 30 FEEDLP C[C@@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000602863335 568001042 /nfs/dbraw/zinc/00/10/42/568001042.db2.gz NLZKZHVABWDOQB-KRWDZBQOSA-N 2 2 350.466 2.376 20 30 FEEDLP C[C@@H]1C[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852597 568001541 /nfs/dbraw/zinc/00/15/41/568001541.db2.gz DCDZXKHTAJWQQI-SVFBPWRDSA-N 2 2 356.514 2.196 20 30 FEEDLP C[C@@H]1C[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852597 568001543 /nfs/dbraw/zinc/00/15/43/568001543.db2.gz DCDZXKHTAJWQQI-SVFBPWRDSA-N 2 2 356.514 2.196 20 30 FEEDLP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852597 568001545 /nfs/dbraw/zinc/00/15/45/568001545.db2.gz DCDZXKHTAJWQQI-SVFBPWRDSA-N 2 2 356.514 2.196 20 30 FEEDLP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852597 568001547 /nfs/dbraw/zinc/00/15/47/568001547.db2.gz DCDZXKHTAJWQQI-SVFBPWRDSA-N 2 2 356.514 2.196 20 30 FEEDLP C#C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1 ZINC000811516333 674610792 /nfs/dbraw/zinc/61/07/92/674610792.db2.gz LPMZDDBVBOAQGI-SFHVURJKSA-N 2 2 355.873 2.346 20 30 FEEDLP CCC(CC)[C@@H](CNC(=[NH2+])NCCc1cccs1)[NH+]1CCOCC1 ZINC000303789762 673017633 /nfs/dbraw/zinc/01/76/33/673017633.db2.gz VSHHLFSSBCHZPO-QGZVFWFLSA-N 2 2 352.548 2.332 20 30 FEEDLP C#CCSCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000889906556 688848093 /nfs/dbraw/zinc/84/80/93/688848093.db2.gz GIRUTZHBTKMCDS-QZTJIDSGSA-N 2 2 351.560 2.148 20 30 FEEDLP C#CCSCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000889906556 688848097 /nfs/dbraw/zinc/84/80/97/688848097.db2.gz GIRUTZHBTKMCDS-QZTJIDSGSA-N 2 2 351.560 2.148 20 30 FEEDLP N#CCc1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052003681 540450951 /nfs/dbraw/zinc/45/09/51/540450951.db2.gz NPNNIXDGZRBVLZ-HXUWFJFHSA-N 2 2 357.498 2.443 20 30 FEEDLP CC(C)CC[N@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000072691630 541851693 /nfs/dbraw/zinc/85/16/93/541851693.db2.gz HWWOHIZAZZDHSP-UHFFFAOYSA-N 2 2 357.502 2.382 20 30 FEEDLP CC(C)CC[N@@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000072691630 541851694 /nfs/dbraw/zinc/85/16/94/541851694.db2.gz HWWOHIZAZZDHSP-UHFFFAOYSA-N 2 2 357.502 2.382 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)NCc2[nH+]ccn2CCc2ccccc2)CC1 ZINC000081930180 542680248 /nfs/dbraw/zinc/68/02/48/542680248.db2.gz WHEOSIKUBLRVBT-UHFFFAOYSA-N 2 2 350.466 2.087 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000108873103 543306730 /nfs/dbraw/zinc/30/67/30/543306730.db2.gz MYOHKYBEDYUMCO-UHFFFAOYSA-N 2 2 372.488 2.464 20 30 FEEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(C#N)c1 ZINC000181464425 327732143 /nfs/dbraw/zinc/73/21/43/327732143.db2.gz BZJZGQMBKWFJQY-KRWDZBQOSA-N 2 2 350.470 2.211 20 30 FEEDLP Cc1oc(NC(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C#N)c1C ZINC000106164598 325587709 /nfs/dbraw/zinc/58/77/09/325587709.db2.gz MCMRNTYPVQIAFK-UHFFFAOYSA-N 2 2 355.442 2.395 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000120511570 326264616 /nfs/dbraw/zinc/26/46/16/326264616.db2.gz JXZBYYGTHHTJNT-UHFFFAOYSA-N 2 2 372.488 2.464 20 30 FEEDLP C[NH+]=C(NCc1c(C)noc1C)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000156625273 545640458 /nfs/dbraw/zinc/64/04/58/545640458.db2.gz SFEGNQVYJYYEEI-UHFFFAOYSA-N 2 2 356.405 2.481 20 30 FEEDLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000173644287 546284284 /nfs/dbraw/zinc/28/42/84/546284284.db2.gz MFVHCDSSALCVRQ-QGZVFWFLSA-N 2 2 358.486 2.022 20 30 FEEDLP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000177056946 546535173 /nfs/dbraw/zinc/53/51/73/546535173.db2.gz AUFPLJNLXKNPEL-INIZCTEOSA-N 2 2 369.494 2.413 20 30 FEEDLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000183486538 547669692 /nfs/dbraw/zinc/66/96/92/547669692.db2.gz YMGSDLASHIRDCX-UHFFFAOYSA-N 2 2 363.465 2.367 20 30 FEEDLP CN(C)c1cc[nH+]cc1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000183486538 547669694 /nfs/dbraw/zinc/66/96/94/547669694.db2.gz YMGSDLASHIRDCX-UHFFFAOYSA-N 2 2 363.465 2.367 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000187019991 548242176 /nfs/dbraw/zinc/24/21/76/548242176.db2.gz HVWQNZXMCKZOBE-ZBFHGGJFSA-N 2 2 364.515 2.285 20 30 FEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000187019991 548242180 /nfs/dbraw/zinc/24/21/80/548242180.db2.gz HVWQNZXMCKZOBE-ZBFHGGJFSA-N 2 2 364.515 2.285 20 30 FEEDLP C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189768277 548311677 /nfs/dbraw/zinc/31/16/77/548311677.db2.gz FXYSBLFRXXLCOB-ZWKOTPCHSA-N 2 2 357.564 2.161 20 30 FEEDLP C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189768277 548311681 /nfs/dbraw/zinc/31/16/81/548311681.db2.gz FXYSBLFRXXLCOB-ZWKOTPCHSA-N 2 2 357.564 2.161 20 30 FEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000246378568 549119016 /nfs/dbraw/zinc/11/90/16/549119016.db2.gz JVHOGWZKQKQFCC-BZSNNMDCSA-N 2 2 359.518 2.472 20 30 FEEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262437128 549819587 /nfs/dbraw/zinc/81/95/87/549819587.db2.gz GOZVRCWPNNFGBD-GDBMZVCRSA-N 2 2 360.531 2.149 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264285777 549993952 /nfs/dbraw/zinc/99/39/52/549993952.db2.gz VFAMPUXUDUNPDO-KRWDZBQOSA-N 2 2 355.482 2.364 20 30 FEEDLP C#CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000271658828 550393076 /nfs/dbraw/zinc/39/30/76/550393076.db2.gz CZJFRXLTQZQIGT-FQEVSTJZSA-N 2 2 362.477 2.475 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048483 551173607 /nfs/dbraw/zinc/17/36/07/551173607.db2.gz LWOKYWQXINSTFN-JXFKEZNVSA-N 2 2 357.502 2.453 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048483 551173608 /nfs/dbraw/zinc/17/36/08/551173608.db2.gz LWOKYWQXINSTFN-JXFKEZNVSA-N 2 2 357.502 2.453 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNc2ncc(Br)cc2C#N)CC1 ZINC000297519526 553303224 /nfs/dbraw/zinc/30/32/24/553303224.db2.gz OKGJODZMTIEBNI-UHFFFAOYSA-N 2 2 352.280 2.154 20 30 FEEDLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC000328796526 553823404 /nfs/dbraw/zinc/82/34/04/553823404.db2.gz UWOSXELAOXDQBI-KRWDZBQOSA-N 2 2 357.502 2.177 20 30 FEEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)[C@H]2C1 ZINC000329303442 553921264 /nfs/dbraw/zinc/92/12/64/553921264.db2.gz XHLYROKZVJXDGM-MOPGFXCFSA-N 2 2 353.470 2.371 20 30 FEEDLP N#CCCN(C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000360925872 554895171 /nfs/dbraw/zinc/89/51/71/554895171.db2.gz HQHKOEAWDBZGNQ-MISYRCLQSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000360925872 554895174 /nfs/dbraw/zinc/89/51/74/554895174.db2.gz HQHKOEAWDBZGNQ-MISYRCLQSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000360925872 554895177 /nfs/dbraw/zinc/89/51/77/554895177.db2.gz HQHKOEAWDBZGNQ-MISYRCLQSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000360925872 554895178 /nfs/dbraw/zinc/89/51/78/554895178.db2.gz HQHKOEAWDBZGNQ-MISYRCLQSA-N 2 2 352.482 2.349 20 30 FEEDLP CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367586397 556090025 /nfs/dbraw/zinc/09/00/25/556090025.db2.gz OVQRFJRWESIMTF-MRXNPFEDSA-N 2 2 360.889 2.452 20 30 FEEDLP CN(C(=O)c1cc(C#N)ccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367586397 556090028 /nfs/dbraw/zinc/09/00/28/556090028.db2.gz OVQRFJRWESIMTF-MRXNPFEDSA-N 2 2 360.889 2.452 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368243853 556257477 /nfs/dbraw/zinc/25/74/77/556257477.db2.gz QTLXUAXIPXZROV-VWPQPMDRSA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368243853 556257480 /nfs/dbraw/zinc/25/74/80/556257480.db2.gz QTLXUAXIPXZROV-VWPQPMDRSA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368243853 556257483 /nfs/dbraw/zinc/25/74/83/556257483.db2.gz QTLXUAXIPXZROV-VWPQPMDRSA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368243853 556257486 /nfs/dbraw/zinc/25/74/86/556257486.db2.gz QTLXUAXIPXZROV-VWPQPMDRSA-N 2 2 368.525 2.495 20 30 FEEDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OCCCC#N ZINC000369037127 556484319 /nfs/dbraw/zinc/48/43/19/556484319.db2.gz VEFFQLLLJRLZJY-ROUUACIJSA-N 2 2 359.470 2.331 20 30 FEEDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1OCCCC#N ZINC000369037127 556484320 /nfs/dbraw/zinc/48/43/20/556484320.db2.gz VEFFQLLLJRLZJY-ROUUACIJSA-N 2 2 359.470 2.331 20 30 FEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369519194 556618198 /nfs/dbraw/zinc/61/81/98/556618198.db2.gz PIEOZYFNINHHQI-OKZBNKHCSA-N 2 2 373.545 2.023 20 30 FEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1=O ZINC000371439152 557187486 /nfs/dbraw/zinc/18/74/86/557187486.db2.gz SJBMKFACVKIOPE-CABCVRRESA-N 2 2 365.481 2.273 20 30 FEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1=O ZINC000371439152 557187490 /nfs/dbraw/zinc/18/74/90/557187490.db2.gz SJBMKFACVKIOPE-CABCVRRESA-N 2 2 365.481 2.273 20 30 FEEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611016 557520709 /nfs/dbraw/zinc/52/07/09/557520709.db2.gz ONDULZIAZAEOOF-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611016 557520710 /nfs/dbraw/zinc/52/07/10/557520710.db2.gz ONDULZIAZAEOOF-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611016 557520712 /nfs/dbraw/zinc/52/07/12/557520712.db2.gz ONDULZIAZAEOOF-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611016 557520714 /nfs/dbraw/zinc/52/07/14/557520714.db2.gz ONDULZIAZAEOOF-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP C=CCCO[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000376681213 558207332 /nfs/dbraw/zinc/20/73/32/558207332.db2.gz QHWVDKZJWXAGRH-SJORKVTESA-N 2 2 360.502 2.355 20 30 FEEDLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000378449914 558560215 /nfs/dbraw/zinc/56/02/15/558560215.db2.gz HDSRKEPNSSMZAL-XPGWFJOJSA-N 2 2 352.482 2.122 20 30 FEEDLP C=CC[C@@H](Cc1ccccc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000413399975 559105105 /nfs/dbraw/zinc/10/51/05/559105105.db2.gz JUGXOXVJHSALFY-IBGZPJMESA-N 2 2 358.530 2.499 20 30 FEEDLP COc1cc2c(cc1OC)C[N@H+](CCNc1cc(C)[nH+]cc1C#N)CC2 ZINC000425215258 559691788 /nfs/dbraw/zinc/69/17/88/559691788.db2.gz MOOZTAUENKIRMM-UHFFFAOYSA-N 2 2 352.438 2.171 20 30 FEEDLP COc1cc2c(cc1OC)C[N@@H+](CCNc1cc(C)[nH+]cc1C#N)CC2 ZINC000425215258 559691789 /nfs/dbraw/zinc/69/17/89/559691789.db2.gz MOOZTAUENKIRMM-UHFFFAOYSA-N 2 2 352.438 2.171 20 30 FEEDLP C=CC[C@@H]1[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1(C)C ZINC000444781210 560120709 /nfs/dbraw/zinc/12/07/09/560120709.db2.gz GWUDMRXGYFJNST-KRWDZBQOSA-N 2 2 351.535 2.280 20 30 FEEDLP C=CC[C@@H]1[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1(C)C ZINC000444781210 560120710 /nfs/dbraw/zinc/12/07/10/560120710.db2.gz GWUDMRXGYFJNST-KRWDZBQOSA-N 2 2 351.535 2.280 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497085 560232016 /nfs/dbraw/zinc/23/20/16/560232016.db2.gz KDMUZBQZBLIHBY-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497085 560232017 /nfs/dbraw/zinc/23/20/17/560232017.db2.gz KDMUZBQZBLIHBY-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497085 560232018 /nfs/dbraw/zinc/23/20/18/560232018.db2.gz KDMUZBQZBLIHBY-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451031759 560283614 /nfs/dbraw/zinc/28/36/14/560283614.db2.gz XMCPJKVGYATLHT-JXXFODFXSA-N 2 2 373.501 2.044 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451031759 560283615 /nfs/dbraw/zinc/28/36/15/560283615.db2.gz XMCPJKVGYATLHT-JXXFODFXSA-N 2 2 373.501 2.044 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459476615 560688777 /nfs/dbraw/zinc/68/87/77/560688777.db2.gz GFTNKRFCHIQQOF-KRWDZBQOSA-N 2 2 365.481 2.365 20 30 FEEDLP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N ZINC000602852595 568001554 /nfs/dbraw/zinc/00/15/54/568001554.db2.gz DCDZXKHTAJWQQI-SBHAEUEKSA-N 2 2 356.514 2.196 20 30 FEEDLP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N ZINC000602852595 568001556 /nfs/dbraw/zinc/00/15/56/568001556.db2.gz DCDZXKHTAJWQQI-SBHAEUEKSA-N 2 2 356.514 2.196 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594445834 673072865 /nfs/dbraw/zinc/07/28/65/673072865.db2.gz KYFZGEBVBMWIPH-IKGGRYGDSA-N 2 2 350.413 2.237 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594445834 673072871 /nfs/dbraw/zinc/07/28/71/673072871.db2.gz KYFZGEBVBMWIPH-IKGGRYGDSA-N 2 2 350.413 2.237 20 30 FEEDLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(C#N)c(Cl)c3)cn2)CC1 ZINC000619749036 676393131 /nfs/dbraw/zinc/39/31/31/676393131.db2.gz XTNXQPWVOCTKGH-UHFFFAOYSA-N 2 2 356.861 2.043 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)s1 ZINC001026896740 680352394 /nfs/dbraw/zinc/35/23/94/680352394.db2.gz FPKOKEHETAHHRH-DAXOMENPSA-N 2 2 355.467 2.085 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)s1 ZINC001026896740 680352398 /nfs/dbraw/zinc/35/23/98/680352398.db2.gz FPKOKEHETAHHRH-DAXOMENPSA-N 2 2 355.467 2.085 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001045075394 680621325 /nfs/dbraw/zinc/62/13/25/680621325.db2.gz ADIZTCLPAZVLQU-APHBMKBZSA-N 2 2 355.467 2.227 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC001045075394 680621328 /nfs/dbraw/zinc/62/13/28/680621328.db2.gz ADIZTCLPAZVLQU-APHBMKBZSA-N 2 2 355.467 2.227 20 30 FEEDLP N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1nc(C[NH+]3CCCCC3)cs1)C2 ZINC000884177606 687808900 /nfs/dbraw/zinc/80/89/00/687808900.db2.gz OOKKRLJZDGXYCJ-TXKKKEFDSA-N 2 2 359.499 2.207 20 30 FEEDLP C=C(C)CSc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000044172262 540119320 /nfs/dbraw/zinc/11/93/20/540119320.db2.gz NVIKGKPRGHBXGC-HNNXBMFYSA-N 2 2 353.536 2.291 20 30 FEEDLP COc1cccc(NC(=[NH2+])NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000104154552 543125454 /nfs/dbraw/zinc/12/54/54/543125454.db2.gz HOJTWYOTFIIXKA-IBGZPJMESA-N 2 2 354.454 2.323 20 30 FEEDLP COc1cccc(NC(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000104154552 543125458 /nfs/dbraw/zinc/12/54/58/543125458.db2.gz HOJTWYOTFIIXKA-IBGZPJMESA-N 2 2 354.454 2.323 20 30 FEEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118834236 543660156 /nfs/dbraw/zinc/66/01/56/543660156.db2.gz XBOFZWVAFOTDFX-LJQANCHMSA-N 2 2 359.518 2.230 20 30 FEEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000118834236 543660159 /nfs/dbraw/zinc/66/01/59/543660159.db2.gz XBOFZWVAFOTDFX-LJQANCHMSA-N 2 2 359.518 2.230 20 30 FEEDLP CN(C(=O)CSCC#N)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124778280 543842703 /nfs/dbraw/zinc/84/27/03/543842703.db2.gz OOSKEMYMULGFSV-IRXDYDNUSA-N 2 2 352.548 2.039 20 30 FEEDLP CN(C(=O)CSCC#N)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124778280 543842706 /nfs/dbraw/zinc/84/27/06/543842706.db2.gz OOSKEMYMULGFSV-IRXDYDNUSA-N 2 2 352.548 2.039 20 30 FEEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124845295 543846885 /nfs/dbraw/zinc/84/68/85/543846885.db2.gz ACIGBYUFAFEGJN-OALUTQOASA-N 2 2 357.502 2.296 20 30 FEEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124845295 543846888 /nfs/dbraw/zinc/84/68/88/543846888.db2.gz ACIGBYUFAFEGJN-OALUTQOASA-N 2 2 357.502 2.296 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247494696 549344217 /nfs/dbraw/zinc/34/42/17/549344217.db2.gz LFDHVNZCPWZYJG-TZIWHRDSSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247494696 549344218 /nfs/dbraw/zinc/34/42/18/549344218.db2.gz LFDHVNZCPWZYJG-TZIWHRDSSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247494696 549344221 /nfs/dbraw/zinc/34/42/21/549344221.db2.gz LFDHVNZCPWZYJG-TZIWHRDSSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247494696 549344224 /nfs/dbraw/zinc/34/42/24/549344224.db2.gz LFDHVNZCPWZYJG-TZIWHRDSSA-N 2 2 356.514 2.495 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c(F)cc(C#N)cc3F)CC2)CC1 ZINC000130546027 544155666 /nfs/dbraw/zinc/15/56/66/544155666.db2.gz JZXZYGRURQBSFJ-UHFFFAOYSA-N 2 2 362.424 2.125 20 30 FEEDLP CCOC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000186450035 327962421 /nfs/dbraw/zinc/96/24/21/327962421.db2.gz LHUBDAAJLHWFCS-IBGZPJMESA-N 2 2 356.470 2.343 20 30 FEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003762 325349924 /nfs/dbraw/zinc/34/99/24/325349924.db2.gz DVIAISONRRUIDR-LPHOPBHVSA-N 2 2 352.438 2.461 20 30 FEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003762 325349927 /nfs/dbraw/zinc/34/99/27/325349927.db2.gz DVIAISONRRUIDR-LPHOPBHVSA-N 2 2 352.438 2.461 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000274216804 329927207 /nfs/dbraw/zinc/92/72/07/329927207.db2.gz MMELXSCSAJMEKB-UHFFFAOYSA-N 2 2 357.458 2.461 20 30 FEEDLP C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160053700 546002918 /nfs/dbraw/zinc/00/29/18/546002918.db2.gz QZPBPHYAKNRHII-YESZJQIVSA-N 2 2 358.490 2.237 20 30 FEEDLP NC(CCN1CC[NH+](Cc2ccccc2)CC1)=[NH+]OCc1nccs1 ZINC000161334208 546120791 /nfs/dbraw/zinc/12/07/91/546120791.db2.gz WXKZYRVEOHDKOT-UHFFFAOYSA-N 2 2 359.499 2.140 20 30 FEEDLP NC(CC[NH+]1CCN(Cc2ccccc2)CC1)=[NH+]OCc1nccs1 ZINC000161334208 546120794 /nfs/dbraw/zinc/12/07/94/546120794.db2.gz WXKZYRVEOHDKOT-UHFFFAOYSA-N 2 2 359.499 2.140 20 30 FEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177177350 546561775 /nfs/dbraw/zinc/56/17/75/546561775.db2.gz MFVNKNKIAIEXLZ-FQEVSTJZSA-N 2 2 371.481 2.349 20 30 FEEDLP CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000484744414 561305078 /nfs/dbraw/zinc/30/50/78/561305078.db2.gz YWTVSBAGEYJCBL-NRFANRHFSA-N 2 2 373.497 2.205 20 30 FEEDLP CS(=O)(=O)CCCCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186867407 548208749 /nfs/dbraw/zinc/20/87/49/548208749.db2.gz YJJANSNRONUACF-UHFFFAOYSA-N 2 2 363.527 2.327 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000187020012 548242230 /nfs/dbraw/zinc/24/22/30/548242230.db2.gz HVWQNZXMCKZOBE-GDBMZVCRSA-N 2 2 364.515 2.285 20 30 FEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H](C)C1 ZINC000187020012 548242233 /nfs/dbraw/zinc/24/22/33/548242233.db2.gz HVWQNZXMCKZOBE-GDBMZVCRSA-N 2 2 364.515 2.285 20 30 FEEDLP CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245706366 548979959 /nfs/dbraw/zinc/97/99/59/548979959.db2.gz MJQFWMQVBKYOOH-WOJBJXKFSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245706366 548979965 /nfs/dbraw/zinc/97/99/65/548979965.db2.gz MJQFWMQVBKYOOH-WOJBJXKFSA-N 2 2 369.513 2.362 20 30 FEEDLP [NH2+]=C(NC[C@]1([NH+]2CCOCC2)CCSC1)Nc1ccc2c(c1)CCC2 ZINC000261976268 549776149 /nfs/dbraw/zinc/77/61/49/549776149.db2.gz GCNGDBUFAMWDQG-LJQANCHMSA-N 2 2 360.527 2.110 20 30 FEEDLP C[NH+]=C(NCc1c(C)noc1C)NCc1cccnc1-n1cc[nH+]c1C ZINC000261988614 549777295 /nfs/dbraw/zinc/77/72/95/549777295.db2.gz SCEHFTHAVNYBTQ-UHFFFAOYSA-N 2 2 353.430 2.046 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N(C)Cc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000264352697 549994584 /nfs/dbraw/zinc/99/45/84/549994584.db2.gz MLCKZNMXTSWORX-UHFFFAOYSA-N 2 2 359.396 2.237 20 30 FEEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC1 ZINC000272655609 550463102 /nfs/dbraw/zinc/46/31/02/550463102.db2.gz NQYXBEGJAXXHHL-LJQANCHMSA-N 2 2 366.465 2.456 20 30 FEEDLP C#CC[NH+]1CCC(c2nc([C@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC1 ZINC000272655609 550463104 /nfs/dbraw/zinc/46/31/04/550463104.db2.gz NQYXBEGJAXXHHL-LJQANCHMSA-N 2 2 366.465 2.456 20 30 FEEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000272940593 550477791 /nfs/dbraw/zinc/47/77/91/550477791.db2.gz LXCRMSGJMREWOQ-KRWDZBQOSA-N 2 2 367.497 2.036 20 30 FEEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272940593 550477792 /nfs/dbraw/zinc/47/77/92/550477792.db2.gz LXCRMSGJMREWOQ-KRWDZBQOSA-N 2 2 367.497 2.036 20 30 FEEDLP C=CCOc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000288478897 552160195 /nfs/dbraw/zinc/16/01/95/552160195.db2.gz PXKRPFUHSZCIML-UHFFFAOYSA-N 2 2 374.529 2.419 20 30 FEEDLP C=CCOc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000288478897 552160196 /nfs/dbraw/zinc/16/01/96/552160196.db2.gz PXKRPFUHSZCIML-UHFFFAOYSA-N 2 2 374.529 2.419 20 30 FEEDLP CN(C)c1ncccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000329544810 553965182 /nfs/dbraw/zinc/96/51/82/553965182.db2.gz GHVUMRMEHZGURL-UHFFFAOYSA-N 2 2 359.518 2.403 20 30 FEEDLP CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329971986 554041858 /nfs/dbraw/zinc/04/18/58/554041858.db2.gz VWAYBIJYLAHGAA-NPYXIHBLSA-N 2 2 360.506 2.018 20 30 FEEDLP CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329971986 554041859 /nfs/dbraw/zinc/04/18/59/554041859.db2.gz VWAYBIJYLAHGAA-NPYXIHBLSA-N 2 2 360.506 2.018 20 30 FEEDLP CCN1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329999320 554046940 /nfs/dbraw/zinc/04/69/40/554046940.db2.gz UNJPKRSBYQLRSH-INIZCTEOSA-N 2 2 362.522 2.124 20 30 FEEDLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)CC1 ZINC000330319799 554104438 /nfs/dbraw/zinc/10/44/38/554104438.db2.gz DNUDOQRUUAAPJM-SJLPKXTDSA-N 2 2 363.506 2.264 20 30 FEEDLP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000510966880 561852484 /nfs/dbraw/zinc/85/24/84/561852484.db2.gz JLPMTHRWHBQTIN-QGZVFWFLSA-N 2 2 358.461 2.219 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417260 556302219 /nfs/dbraw/zinc/30/22/19/556302219.db2.gz QMESTDBXNWCCAR-KCITZHQASA-N 2 2 370.497 2.364 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417260 556302222 /nfs/dbraw/zinc/30/22/22/556302222.db2.gz QMESTDBXNWCCAR-KCITZHQASA-N 2 2 370.497 2.364 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000369312406 556571801 /nfs/dbraw/zinc/57/18/01/556571801.db2.gz OJYJHCHBWPIQIM-SZPZYZBQSA-N 2 2 374.488 2.238 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000369312406 556571803 /nfs/dbraw/zinc/57/18/03/556571803.db2.gz OJYJHCHBWPIQIM-SZPZYZBQSA-N 2 2 374.488 2.238 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000369312406 556571805 /nfs/dbraw/zinc/57/18/05/556571805.db2.gz OJYJHCHBWPIQIM-SZPZYZBQSA-N 2 2 374.488 2.238 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000369312406 556571807 /nfs/dbraw/zinc/57/18/07/556571807.db2.gz OJYJHCHBWPIQIM-SZPZYZBQSA-N 2 2 374.488 2.238 20 30 FEEDLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCC[N@@H+]2C)cn1 ZINC000369479059 556608036 /nfs/dbraw/zinc/60/80/36/556608036.db2.gz RBBLMOLNIMCQIP-JXFKEZNVSA-N 2 2 363.469 2.112 20 30 FEEDLP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCC[N@H+]2C)cn1 ZINC000369479059 556608039 /nfs/dbraw/zinc/60/80/39/556608039.db2.gz RBBLMOLNIMCQIP-JXFKEZNVSA-N 2 2 363.469 2.112 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000370807579 556974315 /nfs/dbraw/zinc/97/43/15/556974315.db2.gz DBCSRTMMOSNZCT-UHFFFAOYSA-N 2 2 357.502 2.390 20 30 FEEDLP CCC[NH+]1CCN(C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000371324833 557146495 /nfs/dbraw/zinc/14/64/95/557146495.db2.gz AVUFRRXHORAMAG-UHFFFAOYSA-N 2 2 366.513 2.198 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2[nH+]ccn2CC(F)(F)F)CC1 ZINC000518510992 562113125 /nfs/dbraw/zinc/11/31/25/562113125.db2.gz OETJEIHAURRLRV-UHFFFAOYSA-N 2 2 359.396 2.285 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000377732534 558407603 /nfs/dbraw/zinc/40/76/03/558407603.db2.gz MMTQNEBRACUNLH-CNNODRBYSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000377732534 558407605 /nfs/dbraw/zinc/40/76/05/558407605.db2.gz MMTQNEBRACUNLH-CNNODRBYSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000377732534 558407606 /nfs/dbraw/zinc/40/76/06/558407606.db2.gz MMTQNEBRACUNLH-CNNODRBYSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000377732534 558407608 /nfs/dbraw/zinc/40/76/08/558407608.db2.gz MMTQNEBRACUNLH-CNNODRBYSA-N 2 2 366.509 2.249 20 30 FEEDLP C=CC[NH+](CC=C)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000411163987 558847295 /nfs/dbraw/zinc/84/72/95/558847295.db2.gz KZROADFTPQLPDL-GOSISDBHSA-N 2 2 357.498 2.198 20 30 FEEDLP CC[N@@H+](CC(=O)NC1(C#N)CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525893947 562258893 /nfs/dbraw/zinc/25/88/93/562258893.db2.gz DTFHDSIHPGOJJM-UHFFFAOYSA-N 2 2 355.486 2.182 20 30 FEEDLP CC[N@H+](CC(=O)NC1(C#N)CCC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000525893947 562258894 /nfs/dbraw/zinc/25/88/94/562258894.db2.gz DTFHDSIHPGOJJM-UHFFFAOYSA-N 2 2 355.486 2.182 20 30 FEEDLP Cc1nn(C)c(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c1C#N ZINC000527065288 562275247 /nfs/dbraw/zinc/27/52/47/562275247.db2.gz WSICHERJOCZZNS-UHFFFAOYSA-N 2 2 361.453 2.108 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000420630153 559494445 /nfs/dbraw/zinc/49/44/45/559494445.db2.gz SGWXRIUCWZSUOL-UHFFFAOYSA-N 2 2 357.458 2.463 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000420630153 559494446 /nfs/dbraw/zinc/49/44/46/559494446.db2.gz SGWXRIUCWZSUOL-UHFFFAOYSA-N 2 2 357.458 2.463 20 30 FEEDLP C=CCn1c(CC2CC2)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421258190 559534076 /nfs/dbraw/zinc/53/40/76/559534076.db2.gz DTTKJZWDNFPCCH-UHFFFAOYSA-N 2 2 372.561 2.413 20 30 FEEDLP C=CCn1c(CC2CC2)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421258190 559534077 /nfs/dbraw/zinc/53/40/77/559534077.db2.gz DTTKJZWDNFPCCH-UHFFFAOYSA-N 2 2 372.561 2.413 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547019 559708978 /nfs/dbraw/zinc/70/89/78/559708978.db2.gz WWNUUXFAOFNTEW-FXAWDEMLSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547019 559708979 /nfs/dbraw/zinc/70/89/79/559708979.db2.gz WWNUUXFAOFNTEW-FXAWDEMLSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547019 559708980 /nfs/dbraw/zinc/70/89/80/559708980.db2.gz WWNUUXFAOFNTEW-FXAWDEMLSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547019 559708981 /nfs/dbraw/zinc/70/89/81/559708981.db2.gz WWNUUXFAOFNTEW-FXAWDEMLSA-N 2 2 372.513 2.024 20 30 FEEDLP CC1(C#N)CCC([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000449106875 560216246 /nfs/dbraw/zinc/21/62/46/560216246.db2.gz NFIQDUVJZCCHRD-UHFFFAOYSA-N 2 2 355.486 2.182 20 30 FEEDLP N#CCCn1cc(C[NH2+]C[C@H]2CCCC[N@H+]2CCO)c(-c2ccccc2)n1 ZINC000449395696 560228830 /nfs/dbraw/zinc/22/88/30/560228830.db2.gz QGRVZNYZAGAYFP-HXUWFJFHSA-N 2 2 367.497 2.400 20 30 FEEDLP N#CCCn1cc(C[NH2+]C[C@H]2CCCC[N@@H+]2CCO)c(-c2ccccc2)n1 ZINC000449395696 560228831 /nfs/dbraw/zinc/22/88/31/560228831.db2.gz QGRVZNYZAGAYFP-HXUWFJFHSA-N 2 2 367.497 2.400 20 30 FEEDLP C[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000528426405 562328780 /nfs/dbraw/zinc/32/87/80/562328780.db2.gz SZDYIQITPPDXQT-APWZRJJASA-N 2 2 362.433 2.066 20 30 FEEDLP C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000528426405 562328781 /nfs/dbraw/zinc/32/87/81/562328781.db2.gz SZDYIQITPPDXQT-APWZRJJASA-N 2 2 362.433 2.066 20 30 FEEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000535205659 562553143 /nfs/dbraw/zinc/55/31/43/562553143.db2.gz JOBILXDNAZKHHL-KRWDZBQOSA-N 2 2 359.470 2.278 20 30 FEEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000535205659 562553144 /nfs/dbraw/zinc/55/31/44/562553144.db2.gz JOBILXDNAZKHHL-KRWDZBQOSA-N 2 2 359.470 2.278 20 30 FEEDLP CCN(CC)c1ccc(C=[NH+]NC(=S)NCCC[NH+](C)C)cc1F ZINC000739412180 673631375 /nfs/dbraw/zinc/63/13/75/673631375.db2.gz UIBKFVKCODTKBM-UHFFFAOYSA-N 2 2 353.511 2.422 20 30 FEEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000623372838 676531523 /nfs/dbraw/zinc/53/15/23/676531523.db2.gz IVUUZDKHNJVMKA-HNNXBMFYSA-N 2 2 354.878 2.460 20 30 FEEDLP C=C(Br)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981780579 680251534 /nfs/dbraw/zinc/25/15/34/680251534.db2.gz MRNWEFWAIDMYFV-HUUCEWRRSA-N 2 2 370.335 2.160 20 30 FEEDLP C=C(Br)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)C1 ZINC000981780579 680251524 /nfs/dbraw/zinc/25/15/24/680251524.db2.gz MRNWEFWAIDMYFV-HUUCEWRRSA-N 2 2 370.335 2.160 20 30 FEEDLP C=C(Br)C[NH+]1CCCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC000981780579 680251529 /nfs/dbraw/zinc/25/15/29/680251529.db2.gz MRNWEFWAIDMYFV-HUUCEWRRSA-N 2 2 370.335 2.160 20 30 FEEDLP C=C(Br)C[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)C1 ZINC000981780579 680251538 /nfs/dbraw/zinc/25/15/38/680251538.db2.gz MRNWEFWAIDMYFV-HUUCEWRRSA-N 2 2 370.335 2.160 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)s1 ZINC001034962151 680441719 /nfs/dbraw/zinc/44/17/19/680441719.db2.gz ADIZTCLPAZVLQU-DAXOMENPSA-N 2 2 355.467 2.227 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)s1 ZINC001034962151 680441721 /nfs/dbraw/zinc/44/17/21/680441721.db2.gz ADIZTCLPAZVLQU-DAXOMENPSA-N 2 2 355.467 2.227 20 30 FEEDLP C[NH2+]C[C@](C)(O)C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530517 684299998 /nfs/dbraw/zinc/29/99/98/684299998.db2.gz FAGZSFIBWXJEIU-CIUDSAMLSA-N 2 2 370.284 2.060 20 30 FEEDLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@@H]2C1 ZINC001164850145 720849435 /nfs/dbraw/zinc/84/94/35/720849435.db2.gz DMNDERRXXJBIEQ-UYAOXDASSA-N 2 2 366.465 2.280 20 30 FEEDLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@@H]2C1 ZINC001164850145 720849440 /nfs/dbraw/zinc/84/94/40/720849440.db2.gz DMNDERRXXJBIEQ-UYAOXDASSA-N 2 2 366.465 2.280 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)CCO1 ZINC000066562057 541335712 /nfs/dbraw/zinc/33/57/12/541335712.db2.gz RYQQTSVEVMAHKC-MRXNPFEDSA-N 2 2 356.470 2.072 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)CCO1 ZINC000066562057 541335715 /nfs/dbraw/zinc/33/57/15/541335715.db2.gz RYQQTSVEVMAHKC-MRXNPFEDSA-N 2 2 356.470 2.072 20 30 FEEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926635 542774055 /nfs/dbraw/zinc/77/40/55/542774055.db2.gz AFJLKHJEZATNLQ-INIZCTEOSA-N 2 2 373.526 2.207 20 30 FEEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000092665068 542879729 /nfs/dbraw/zinc/87/97/29/542879729.db2.gz ZBYFCKQZPBBGAP-ROUUACIJSA-N 2 2 366.513 2.196 20 30 FEEDLP N#CCCCOc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000093046716 542905211 /nfs/dbraw/zinc/90/52/11/542905211.db2.gz KOYQWMAEJJCHQT-UHFFFAOYSA-N 2 2 370.497 2.109 20 30 FEEDLP N#CCCN(C(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000131822568 544208368 /nfs/dbraw/zinc/20/83/68/544208368.db2.gz HIEGALYTGHWOLE-IBGZPJMESA-N 2 2 350.422 2.482 20 30 FEEDLP N#CCCN(C(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000131822568 544208369 /nfs/dbraw/zinc/20/83/69/544208369.db2.gz HIEGALYTGHWOLE-IBGZPJMESA-N 2 2 350.422 2.482 20 30 FEEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135293762 544340398 /nfs/dbraw/zinc/34/03/98/544340398.db2.gz JOYXLYDDUMAOLE-IBGZPJMESA-N 2 2 354.498 2.226 20 30 FEEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135293762 544340399 /nfs/dbraw/zinc/34/03/99/544340399.db2.gz JOYXLYDDUMAOLE-IBGZPJMESA-N 2 2 354.498 2.226 20 30 FEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000154543681 544919910 /nfs/dbraw/zinc/91/99/10/544919910.db2.gz RLMPDMRGKKAGEV-GOSISDBHSA-N 2 2 358.486 2.452 20 30 FEEDLP Cc1cccn2c(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c[nH+]c12 ZINC000192244324 328308706 /nfs/dbraw/zinc/30/87/06/328308706.db2.gz WVWCVVUDNWDVDM-LJQANCHMSA-N 2 2 359.433 2.405 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479068840 561180838 /nfs/dbraw/zinc/18/08/38/561180838.db2.gz OZPXTBGZAIEANT-OAHLLOKOSA-N 2 2 351.516 2.252 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177313640 546592037 /nfs/dbraw/zinc/59/20/37/546592037.db2.gz BUPVEPWTYWBZNQ-OAHLLOKOSA-N 2 2 351.516 2.238 20 30 FEEDLP CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482018691 561247490 /nfs/dbraw/zinc/24/74/90/561247490.db2.gz STLXOGJGVAKMKD-HXUWFJFHSA-N 2 2 372.513 2.104 20 30 FEEDLP C=CC[N@@H+](CCOC)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000191076599 548340688 /nfs/dbraw/zinc/34/06/88/548340688.db2.gz WARJHSVSWPLYPC-UHFFFAOYSA-N 2 2 359.514 2.164 20 30 FEEDLP C=CC[N@H+](CCOC)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000191076599 548340694 /nfs/dbraw/zinc/34/06/94/548340694.db2.gz WARJHSVSWPLYPC-UHFFFAOYSA-N 2 2 359.514 2.164 20 30 FEEDLP C=CC[NH+](CCOC)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000191076599 548340704 /nfs/dbraw/zinc/34/07/04/548340704.db2.gz WARJHSVSWPLYPC-UHFFFAOYSA-N 2 2 359.514 2.164 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000261964944 549774447 /nfs/dbraw/zinc/77/44/47/549774447.db2.gz LDECBUGXSGZWGI-MRXNPFEDSA-N 2 2 370.501 2.454 20 30 FEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCN(c2ccccc2)C1 ZINC000262783773 549849232 /nfs/dbraw/zinc/84/92/32/549849232.db2.gz MJYLVVYGJWBTGY-MRXNPFEDSA-N 2 2 352.486 2.163 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280242243 550974011 /nfs/dbraw/zinc/97/40/11/550974011.db2.gz NMZDZJUPJNJKPH-CQSZACIVSA-N 2 2 369.469 2.382 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1[nH+]ccn1CCCc1ccccc1 ZINC000296286136 553135087 /nfs/dbraw/zinc/13/50/87/553135087.db2.gz BXRPWWMVMGIBRB-UHFFFAOYSA-N 2 2 367.497 2.270 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCc3ccc4c[nH+]cn4c3)CC2)cc1 ZINC000297629391 553317736 /nfs/dbraw/zinc/31/77/36/553317736.db2.gz HPDAMDYRFYPDEH-UHFFFAOYSA-N 2 2 374.448 2.233 20 30 FEEDLP Cn1cc[nH+]c1N1CCC(NC(=O)C2CC[NH+](CC(F)F)CC2)CC1 ZINC000329485839 553956006 /nfs/dbraw/zinc/95/60/06/553956006.db2.gz GDKFZUSSVNIUII-UHFFFAOYSA-N 2 2 355.433 2.323 20 30 FEEDLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329945131 554036635 /nfs/dbraw/zinc/03/66/35/554036635.db2.gz FRKVYBQHMDLGRB-IAGOWNOFSA-N 2 2 362.522 2.267 20 30 FEEDLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(CC)[C@@H](c2[nH]cc[nH+]2)C1 ZINC000329945131 554036637 /nfs/dbraw/zinc/03/66/37/554036637.db2.gz FRKVYBQHMDLGRB-IAGOWNOFSA-N 2 2 362.522 2.267 20 30 FEEDLP C[C@H]1CCC[N@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@@H]1CO ZINC000330314507 554103896 /nfs/dbraw/zinc/10/38/96/554103896.db2.gz PESNWNRRGCCITR-DZGCQCFKSA-N 2 2 352.504 2.420 20 30 FEEDLP C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@@H]1CO ZINC000330314507 554103898 /nfs/dbraw/zinc/10/38/98/554103898.db2.gz PESNWNRRGCCITR-DZGCQCFKSA-N 2 2 352.504 2.420 20 30 FEEDLP COCC1(C#N)CC[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000510619970 561840782 /nfs/dbraw/zinc/84/07/82/561840782.db2.gz YBJQKDGONMTOLJ-UHFFFAOYSA-N 2 2 356.514 2.451 20 30 FEEDLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013881 555727494 /nfs/dbraw/zinc/72/74/94/555727494.db2.gz YNCDNSXYRWUETR-RDJZCZTQSA-N 2 2 362.905 2.269 20 30 FEEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000514819371 561981328 /nfs/dbraw/zinc/98/13/28/561981328.db2.gz DITGCOVMULDSKX-LJQANCHMSA-N 2 2 350.422 2.332 20 30 FEEDLP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000370653407 556931991 /nfs/dbraw/zinc/93/19/91/556931991.db2.gz SGYXZWNGIWABPH-SFHVURJKSA-N 2 2 369.509 2.436 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194824 557103767 /nfs/dbraw/zinc/10/37/67/557103767.db2.gz GROFVJWPCFSHBQ-FQEVSTJZSA-N 2 2 354.498 2.372 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000371194824 557103774 /nfs/dbraw/zinc/10/37/74/557103774.db2.gz GROFVJWPCFSHBQ-FQEVSTJZSA-N 2 2 354.498 2.372 20 30 FEEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777958 562118169 /nfs/dbraw/zinc/11/81/69/562118169.db2.gz DLTOPPZWLXGDIS-MRXNPFEDSA-N 2 2 360.527 2.373 20 30 FEEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777958 562118170 /nfs/dbraw/zinc/11/81/70/562118170.db2.gz DLTOPPZWLXGDIS-MRXNPFEDSA-N 2 2 360.527 2.373 20 30 FEEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777958 562118171 /nfs/dbraw/zinc/11/81/71/562118171.db2.gz DLTOPPZWLXGDIS-MRXNPFEDSA-N 2 2 360.527 2.373 20 30 FEEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777958 562118172 /nfs/dbraw/zinc/11/81/72/562118172.db2.gz DLTOPPZWLXGDIS-MRXNPFEDSA-N 2 2 360.527 2.373 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000519235129 562127855 /nfs/dbraw/zinc/12/78/55/562127855.db2.gz YLIQVPNHVPVVII-HOJAQTOUSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000519235129 562127856 /nfs/dbraw/zinc/12/78/56/562127856.db2.gz YLIQVPNHVPVVII-HOJAQTOUSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000519235129 562127857 /nfs/dbraw/zinc/12/78/57/562127857.db2.gz YLIQVPNHVPVVII-HOJAQTOUSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000519235129 562127858 /nfs/dbraw/zinc/12/78/58/562127858.db2.gz YLIQVPNHVPVVII-HOJAQTOUSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000374252795 557851299 /nfs/dbraw/zinc/85/12/99/557851299.db2.gz AAWANNSWRKCMTM-QGZVFWFLSA-N 2 2 354.498 2.118 20 30 FEEDLP C[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000374252795 557851300 /nfs/dbraw/zinc/85/13/00/557851300.db2.gz AAWANNSWRKCMTM-QGZVFWFLSA-N 2 2 354.498 2.118 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000378245683 558510392 /nfs/dbraw/zinc/51/03/92/558510392.db2.gz CUAJVGIVBBGRLP-KZNAEPCWSA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000378245683 558510394 /nfs/dbraw/zinc/51/03/94/558510394.db2.gz CUAJVGIVBBGRLP-KZNAEPCWSA-N 2 2 367.453 2.292 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCC#Cc3ccccc3)CC2)CC1 ZINC000422137769 559567383 /nfs/dbraw/zinc/56/73/83/559567383.db2.gz AKLPYZJKHYUNTK-UHFFFAOYSA-N 2 2 368.525 2.240 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCC#Cc3ccccc3)CC2)CC1 ZINC000422137769 559567384 /nfs/dbraw/zinc/56/73/84/559567384.db2.gz AKLPYZJKHYUNTK-UHFFFAOYSA-N 2 2 368.525 2.240 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026987 560283047 /nfs/dbraw/zinc/28/30/47/560283047.db2.gz MCDGWSMRSFJSOE-SJORKVTESA-N 2 2 360.502 2.414 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026987 560283048 /nfs/dbraw/zinc/28/30/48/560283048.db2.gz MCDGWSMRSFJSOE-SJORKVTESA-N 2 2 360.502 2.414 20 30 FEEDLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cccc(C#N)c1 ZINC000462265317 560803684 /nfs/dbraw/zinc/80/36/84/560803684.db2.gz HPWSJYROOWFNMA-XVSDAANHSA-N 2 2 366.509 2.431 20 30 FEEDLP C[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cccc(C#N)c1 ZINC000462265317 560803686 /nfs/dbraw/zinc/80/36/86/560803686.db2.gz HPWSJYROOWFNMA-XVSDAANHSA-N 2 2 366.509 2.431 20 30 FEEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359256 562532631 /nfs/dbraw/zinc/53/26/31/562532631.db2.gz HCBQSBPDICDUDK-MOPGFXCFSA-N 2 2 357.502 2.296 20 30 FEEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359256 562532632 /nfs/dbraw/zinc/53/26/32/562532632.db2.gz HCBQSBPDICDUDK-MOPGFXCFSA-N 2 2 357.502 2.296 20 30 FEEDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421716 568401783 /nfs/dbraw/zinc/40/17/83/568401783.db2.gz XHNNLJKHJRLSNJ-IRXDYDNUSA-N 2 2 363.527 2.290 20 30 FEEDLP COCC[N@H+](C)CCNC(NCc1ccc(OC)cc1)=[NH+]C(C)(C)C ZINC000912509208 685388682 /nfs/dbraw/zinc/38/86/82/685388682.db2.gz XEFGMQVGOBYKMH-UHFFFAOYSA-N 2 2 350.507 2.107 20 30 FEEDLP COCC[N@@H+](C)CCNC(NCc1ccc(OC)cc1)=[NH+]C(C)(C)C ZINC000912509208 685388689 /nfs/dbraw/zinc/38/86/89/685388689.db2.gz XEFGMQVGOBYKMH-UHFFFAOYSA-N 2 2 350.507 2.107 20 30 FEEDLP N#Cc1ccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)cc1C(F)(F)F ZINC000926050216 683068906 /nfs/dbraw/zinc/06/89/06/683068906.db2.gz WYZNROHHEAAWLW-UHFFFAOYSA-N 2 2 355.364 2.122 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276553 683563428 /nfs/dbraw/zinc/56/34/28/683563428.db2.gz UCLKZWOFXHNNIJ-WBVHZDCISA-N 2 2 353.507 2.251 20 30 FEEDLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575782 686860828 /nfs/dbraw/zinc/86/08/28/686860828.db2.gz OWORMDYGUMGIBS-CJNGLKHVSA-N 2 2 358.511 2.463 20 30 FEEDLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575782 686860834 /nfs/dbraw/zinc/86/08/34/686860834.db2.gz OWORMDYGUMGIBS-CJNGLKHVSA-N 2 2 358.511 2.463 20 30 FEEDLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575782 686860842 /nfs/dbraw/zinc/86/08/42/686860842.db2.gz OWORMDYGUMGIBS-CJNGLKHVSA-N 2 2 358.511 2.463 20 30 FEEDLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575782 686860852 /nfs/dbraw/zinc/86/08/52/686860852.db2.gz OWORMDYGUMGIBS-CJNGLKHVSA-N 2 2 358.511 2.463 20 30 FEEDLP Cc1[nH+]c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)ccc1CC#N ZINC001164736958 720587156 /nfs/dbraw/zinc/58/71/56/720587156.db2.gz WRKKWQWWDFTTPP-UHFFFAOYSA-N 2 2 350.470 2.311 20 30 FEEDLP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000043179598 540092975 /nfs/dbraw/zinc/09/29/75/540092975.db2.gz WLSCNNIXSRZFBB-UHFFFAOYSA-N 2 2 369.513 2.258 20 30 FEEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011400 541730302 /nfs/dbraw/zinc/73/03/02/541730302.db2.gz NPPCDYAULFLIFR-TZIWHRDSSA-N 2 2 374.525 2.199 20 30 FEEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000070011400 541730304 /nfs/dbraw/zinc/73/03/04/541730304.db2.gz NPPCDYAULFLIFR-TZIWHRDSSA-N 2 2 374.525 2.199 20 30 FEEDLP C=CCNC(=O)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000071114865 541765041 /nfs/dbraw/zinc/76/50/41/541765041.db2.gz IOWGAUQFKKRTDM-UHFFFAOYSA-N 2 2 356.470 2.476 20 30 FEEDLP C=CCNC(=O)C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000071114865 541765043 /nfs/dbraw/zinc/76/50/43/541765043.db2.gz IOWGAUQFKKRTDM-UHFFFAOYSA-N 2 2 356.470 2.476 20 30 FEEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000104679267 543137922 /nfs/dbraw/zinc/13/79/22/543137922.db2.gz AHACISFRBBAWGN-UHFFFAOYSA-N 2 2 372.469 2.326 20 30 FEEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000104679267 543137924 /nfs/dbraw/zinc/13/79/24/543137924.db2.gz AHACISFRBBAWGN-UHFFFAOYSA-N 2 2 372.469 2.326 20 30 FEEDLP CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124880261 543848373 /nfs/dbraw/zinc/84/83/73/543848373.db2.gz MJQFWMQVBKYOOH-PMACEKPBSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccc(C#N)cn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124880261 543848374 /nfs/dbraw/zinc/84/83/74/543848374.db2.gz MJQFWMQVBKYOOH-PMACEKPBSA-N 2 2 369.513 2.362 20 30 FEEDLP CCOC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000186450053 327962428 /nfs/dbraw/zinc/96/24/28/327962428.db2.gz LHUBDAAJLHWFCS-LJQANCHMSA-N 2 2 356.470 2.343 20 30 FEEDLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C([O-])=[NH+]CCn1cc[nH+]c1 ZINC000328622055 523085529 /nfs/dbraw/zinc/08/55/29/523085529.db2.gz AXXGFIVKUZUTOE-GJZGRUSLSA-N 2 2 365.478 2.403 20 30 FEEDLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C([O-])=[NH+]CCn1cc[nH+]c1 ZINC000328622055 523085534 /nfs/dbraw/zinc/08/55/34/523085534.db2.gz AXXGFIVKUZUTOE-GJZGRUSLSA-N 2 2 365.478 2.403 20 30 FEEDLP CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)NCCn1cc[nH+]c1 ZINC000328622055 523085543 /nfs/dbraw/zinc/08/55/43/523085543.db2.gz AXXGFIVKUZUTOE-GJZGRUSLSA-N 2 2 365.478 2.403 20 30 FEEDLP CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)NCCn1cc[nH+]c1 ZINC000328622055 523085558 /nfs/dbraw/zinc/08/55/58/523085558.db2.gz AXXGFIVKUZUTOE-GJZGRUSLSA-N 2 2 365.478 2.403 20 30 FEEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C)C(=O)N(C)CCC#N ZINC000160017720 546001294 /nfs/dbraw/zinc/00/12/94/546001294.db2.gz OIINVBMOKYHQDE-QGZVFWFLSA-N 2 2 357.502 2.380 20 30 FEEDLP N#CC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000170644079 546167886 /nfs/dbraw/zinc/16/78/86/546167886.db2.gz MHOIIPBZPDOQSO-UHFFFAOYSA-N 2 2 358.511 2.409 20 30 FEEDLP COc1ccccc1CNC(=[NH2+])NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000178585872 546815177 /nfs/dbraw/zinc/81/51/77/546815177.db2.gz RJSANKQZYLNBPH-UHFFFAOYSA-N 3 2 373.545 2.050 20 30 FEEDLP N#Cc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182972761 547581238 /nfs/dbraw/zinc/58/12/38/547581238.db2.gz NKZARTNIGARLTF-UHFFFAOYSA-N 2 2 370.497 2.321 20 30 FEEDLP C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000184306043 547804430 /nfs/dbraw/zinc/80/44/30/547804430.db2.gz YYJDPTKSGOLZIY-INIZCTEOSA-N 2 2 373.501 2.467 20 30 FEEDLP C[C@@H](C#N)Oc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000184306043 547804435 /nfs/dbraw/zinc/80/44/35/547804435.db2.gz YYJDPTKSGOLZIY-INIZCTEOSA-N 2 2 373.501 2.467 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249552782 549604389 /nfs/dbraw/zinc/60/43/89/549604389.db2.gz IPHANNYXEZEVEJ-UGKGYDQZSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249552782 549604391 /nfs/dbraw/zinc/60/43/91/549604391.db2.gz IPHANNYXEZEVEJ-UGKGYDQZSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249552782 549604395 /nfs/dbraw/zinc/60/43/95/549604395.db2.gz IPHANNYXEZEVEJ-UGKGYDQZSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249552782 549604396 /nfs/dbraw/zinc/60/43/96/549604396.db2.gz IPHANNYXEZEVEJ-UGKGYDQZSA-N 2 2 373.541 2.368 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000275009370 550570138 /nfs/dbraw/zinc/57/01/38/550570138.db2.gz DWZXJZWESUEBGL-QZTJIDSGSA-N 2 2 355.486 2.061 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000275009370 550570140 /nfs/dbraw/zinc/57/01/40/550570140.db2.gz DWZXJZWESUEBGL-QZTJIDSGSA-N 2 2 355.486 2.061 20 30 FEEDLP C[NH+](CCC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1)Cc1ccco1 ZINC000285522086 551769463 /nfs/dbraw/zinc/76/94/63/551769463.db2.gz DYQLFFUQAZXYCP-SFHVURJKSA-N 2 2 357.454 2.345 20 30 FEEDLP C[NH+](CCC[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1)Cc1ccco1 ZINC000285522086 551769465 /nfs/dbraw/zinc/76/94/65/551769465.db2.gz DYQLFFUQAZXYCP-SFHVURJKSA-N 2 2 357.454 2.345 20 30 FEEDLP C[NH+](CCC[N@H+](C)Cc1ccco1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000285522086 551769467 /nfs/dbraw/zinc/76/94/67/551769467.db2.gz DYQLFFUQAZXYCP-SFHVURJKSA-N 2 2 357.454 2.345 20 30 FEEDLP C[NH+](CCC[N@@H+](C)Cc1ccco1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000285522086 551769469 /nfs/dbraw/zinc/76/94/69/551769469.db2.gz DYQLFFUQAZXYCP-SFHVURJKSA-N 2 2 357.454 2.345 20 30 FEEDLP C[C@@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c(N[C@@H](C)Cn2cc[nH+]c2)n1 ZINC000290471690 552484442 /nfs/dbraw/zinc/48/44/42/552484442.db2.gz GQRXJYUBQXKLIV-GJZGRUSLSA-N 2 2 350.430 2.347 20 30 FEEDLP Cc1cc(NCC[NH2+]C[C@H](O)COc2ccccc2C#N)nc(C(C)C)[nH+]1 ZINC000600762245 553312634 /nfs/dbraw/zinc/31/26/34/553312634.db2.gz PSRMMZFNCIXXKN-KRWDZBQOSA-N 2 2 369.469 2.222 20 30 FEEDLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013882 555727508 /nfs/dbraw/zinc/72/75/08/555727508.db2.gz YNCDNSXYRWUETR-WBVHZDCISA-N 2 2 362.905 2.269 20 30 FEEDLP C[N@H+](Cc1cnc2ccc(C#N)cn12)C1CC[NH+](C2CCOCC2)CC1 ZINC000367427577 556046367 /nfs/dbraw/zinc/04/63/67/556046367.db2.gz ALEYIGMDKAAMRW-UHFFFAOYSA-N 2 2 353.470 2.281 20 30 FEEDLP C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC[NH+](C2CCOCC2)CC1 ZINC000367427577 556046371 /nfs/dbraw/zinc/04/63/71/556046371.db2.gz ALEYIGMDKAAMRW-UHFFFAOYSA-N 2 2 353.470 2.281 20 30 FEEDLP C[C@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369767019 556689381 /nfs/dbraw/zinc/68/93/81/556689381.db2.gz PKJUHFNXMRDZKC-FXAWDEMLSA-N 2 2 351.498 2.269 20 30 FEEDLP C[C@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369767019 556689384 /nfs/dbraw/zinc/68/93/84/556689384.db2.gz PKJUHFNXMRDZKC-FXAWDEMLSA-N 2 2 351.498 2.269 20 30 FEEDLP C#CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090856 557072340 /nfs/dbraw/zinc/07/23/40/557072340.db2.gz YRKSTNIIWZLDQM-UYAOXDASSA-N 2 2 354.498 2.219 20 30 FEEDLP C#CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090856 557072345 /nfs/dbraw/zinc/07/23/45/557072345.db2.gz YRKSTNIIWZLDQM-UYAOXDASSA-N 2 2 354.498 2.219 20 30 FEEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611009 557520433 /nfs/dbraw/zinc/52/04/33/557520433.db2.gz ONDULZIAZAEOOF-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611009 557520434 /nfs/dbraw/zinc/52/04/34/557520434.db2.gz ONDULZIAZAEOOF-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611009 557520436 /nfs/dbraw/zinc/52/04/36/557520436.db2.gz ONDULZIAZAEOOF-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611009 557520438 /nfs/dbraw/zinc/52/04/38/557520438.db2.gz ONDULZIAZAEOOF-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011730 557963840 /nfs/dbraw/zinc/96/38/40/557963840.db2.gz HXJRGCGIVFAHAP-OAQYLSRUSA-N 2 2 371.529 2.075 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375011730 557963841 /nfs/dbraw/zinc/96/38/41/557963841.db2.gz HXJRGCGIVFAHAP-OAQYLSRUSA-N 2 2 371.529 2.075 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000375267452 558001482 /nfs/dbraw/zinc/00/14/82/558001482.db2.gz VNHFZTWDFDCHRC-GHTZIAJQSA-N 2 2 373.545 2.326 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH+](C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000375267452 558001483 /nfs/dbraw/zinc/00/14/83/558001483.db2.gz VNHFZTWDFDCHRC-GHTZIAJQSA-N 2 2 373.545 2.326 20 30 FEEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000375267452 558001485 /nfs/dbraw/zinc/00/14/85/558001485.db2.gz VNHFZTWDFDCHRC-GHTZIAJQSA-N 2 2 373.545 2.326 20 30 FEEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000375267452 558001487 /nfs/dbraw/zinc/00/14/87/558001487.db2.gz VNHFZTWDFDCHRC-GHTZIAJQSA-N 2 2 373.545 2.326 20 30 FEEDLP C(#CC[N@@H+]1CCC[C@@H](n2cccn2)C1)C[NH+]1CCC[C@H](n2cccn2)C1 ZINC000375386544 558019167 /nfs/dbraw/zinc/01/91/67/558019167.db2.gz IQQNJXLYWCWPFO-BGYRXZFFSA-N 2 2 352.486 2.057 20 30 FEEDLP C(#CC[N@H+]1CCC[C@@H](n2cccn2)C1)C[NH+]1CCC[C@H](n2cccn2)C1 ZINC000375386544 558019168 /nfs/dbraw/zinc/01/91/68/558019168.db2.gz IQQNJXLYWCWPFO-BGYRXZFFSA-N 2 2 352.486 2.057 20 30 FEEDLP C(#CC[N@@H+]1CCC[C@H](n2cccn2)C1)C[NH+]1CCC[C@@H](n2cccn2)C1 ZINC000375386544 558019169 /nfs/dbraw/zinc/01/91/69/558019169.db2.gz IQQNJXLYWCWPFO-BGYRXZFFSA-N 2 2 352.486 2.057 20 30 FEEDLP C(#CC[N@H+]1CCC[C@H](n2cccn2)C1)C[NH+]1CCC[C@@H](n2cccn2)C1 ZINC000375386544 558019170 /nfs/dbraw/zinc/01/91/70/558019170.db2.gz IQQNJXLYWCWPFO-BGYRXZFFSA-N 2 2 352.486 2.057 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419494914 559445081 /nfs/dbraw/zinc/44/50/81/559445081.db2.gz RFEYZRCPRAQGNB-HXUWFJFHSA-N 2 2 369.513 2.261 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000422013417 559560515 /nfs/dbraw/zinc/56/05/15/559560515.db2.gz FLNHHIQUOGYDTI-UHFFFAOYSA-N 2 2 358.461 2.330 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(F)c3C#N)CC2)CC1 ZINC000422013417 559560516 /nfs/dbraw/zinc/56/05/16/559560516.db2.gz FLNHHIQUOGYDTI-UHFFFAOYSA-N 2 2 358.461 2.330 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000422025914 559561379 /nfs/dbraw/zinc/56/13/79/559561379.db2.gz SVEJNICVVPCOSK-UHFFFAOYSA-N 2 2 354.498 2.385 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(CC#N)cc3)CC2)CC1 ZINC000422025914 559561380 /nfs/dbraw/zinc/56/13/80/559561380.db2.gz SVEJNICVVPCOSK-UHFFFAOYSA-N 2 2 354.498 2.385 20 30 FEEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433305635 559876433 /nfs/dbraw/zinc/87/64/33/559876433.db2.gz OGFSKUCNFROGNR-QGZVFWFLSA-N 2 2 368.485 2.059 20 30 FEEDLP CN(C)c1nc(N2CC[NH+](Cc3ccc(C#N)cc3Cl)CC2)cc[nH+]1 ZINC000439433103 559993785 /nfs/dbraw/zinc/99/37/85/559993785.db2.gz AFKFOIHXAMIEOJ-UHFFFAOYSA-N 2 2 356.861 2.390 20 30 FEEDLP CCOc1ccc(C#N)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000530659411 562419480 /nfs/dbraw/zinc/41/94/80/562419480.db2.gz OIIXGQPAUQXBNJ-UHFFFAOYSA-N 2 2 359.474 2.104 20 30 FEEDLP C=CCCSCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596717649 673406943 /nfs/dbraw/zinc/40/69/43/673406943.db2.gz NXICCRFRDPDLDM-QGZVFWFLSA-N 2 2 354.564 2.106 20 30 FEEDLP C=CCCSCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596717649 673406945 /nfs/dbraw/zinc/40/69/45/673406945.db2.gz NXICCRFRDPDLDM-QGZVFWFLSA-N 2 2 354.564 2.106 20 30 FEEDLP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000765415872 680841512 /nfs/dbraw/zinc/84/15/12/680841512.db2.gz DOZABPXONRHQKO-HNNXBMFYSA-N 2 2 351.878 2.243 20 30 FEEDLP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC000998930285 680391790 /nfs/dbraw/zinc/39/17/90/680391790.db2.gz QBIYKUFOHBVVSC-FIYWTHMPSA-N 2 2 353.264 2.001 20 30 FEEDLP C=C(Br)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC000999425749 680403110 /nfs/dbraw/zinc/40/31/10/680403110.db2.gz HWEFKCLDZFWSJX-NWINJMCUSA-N 2 2 367.291 2.011 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049481239 681032627 /nfs/dbraw/zinc/03/26/27/681032627.db2.gz HVZDNAOJMITBMJ-FPCVCCKLSA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049481239 681032629 /nfs/dbraw/zinc/03/26/29/681032629.db2.gz HVZDNAOJMITBMJ-FPCVCCKLSA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049481239 681032630 /nfs/dbraw/zinc/03/26/30/681032630.db2.gz HVZDNAOJMITBMJ-FPCVCCKLSA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049481239 681032632 /nfs/dbraw/zinc/03/26/32/681032632.db2.gz HVZDNAOJMITBMJ-FPCVCCKLSA-N 2 2 370.335 2.301 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000045410461 540212115 /nfs/dbraw/zinc/21/21/15/540212115.db2.gz OAGXOUGAPOAFOR-UHFFFAOYSA-N 2 2 367.497 2.012 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000047106076 540290500 /nfs/dbraw/zinc/29/05/00/540290500.db2.gz LXLTXSIMAPPNRE-WOJBJXKFSA-N 2 2 367.497 2.012 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000047106076 540290503 /nfs/dbraw/zinc/29/05/03/540290503.db2.gz LXLTXSIMAPPNRE-WOJBJXKFSA-N 2 2 367.497 2.012 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2F)CC1 ZINC000057154071 540773576 /nfs/dbraw/zinc/77/35/76/540773576.db2.gz ZXSIPRBUBINVPB-GOSISDBHSA-N 2 2 354.429 2.110 20 30 FEEDLP C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322129 542069542 /nfs/dbraw/zinc/06/95/42/542069542.db2.gz QDNRXHVXRBDVIV-UHFFFAOYSA-N 2 2 367.497 2.239 20 30 FEEDLP C[N@@H+](CC(=O)N(CCC#N)CCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074322129 542069547 /nfs/dbraw/zinc/06/95/47/542069547.db2.gz QDNRXHVXRBDVIV-UHFFFAOYSA-N 2 2 367.497 2.239 20 30 FEEDLP Cn1cc[nH+]c1CC1CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106164621 543210903 /nfs/dbraw/zinc/21/09/03/543210903.db2.gz PQXCMWUFZBTYEQ-LJQANCHMSA-N 2 2 363.465 2.352 20 30 FEEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000135186140 544337541 /nfs/dbraw/zinc/33/75/41/544337541.db2.gz HNXZEAIDTYGHLS-UHFFFAOYSA-N 2 2 354.498 2.228 20 30 FEEDLP CC(C)[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181427443 327730332 /nfs/dbraw/zinc/73/03/32/327730332.db2.gz DPIVWPASQMJELP-JOCHJYFZSA-N 2 2 370.541 2.469 20 30 FEEDLP Cc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000164044877 327063697 /nfs/dbraw/zinc/06/36/97/327063697.db2.gz UMQAJZKRPDRUPM-UHFFFAOYSA-N 2 2 355.467 2.474 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000162435861 546139144 /nfs/dbraw/zinc/13/91/44/546139144.db2.gz AQHDDKFJQLEYKV-UHFFFAOYSA-N 2 2 373.501 2.389 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000171707887 546219626 /nfs/dbraw/zinc/21/96/26/546219626.db2.gz RMMKAEIBPWFSCK-UHFFFAOYSA-N 2 2 367.497 2.424 20 30 FEEDLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000177491694 546630567 /nfs/dbraw/zinc/63/05/67/546630567.db2.gz GUXZKQSGVKLJKN-INIZCTEOSA-N 2 2 358.486 2.364 20 30 FEEDLP C=CCN(Cc1ccc(OC)cc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179280983 546925304 /nfs/dbraw/zinc/92/53/04/546925304.db2.gz SPSWLARETLIYQZ-UHFFFAOYSA-N 2 2 374.529 2.419 20 30 FEEDLP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249563136 549605657 /nfs/dbraw/zinc/60/56/57/549605657.db2.gz MFVQDTXUNCIRBN-YADHBBJMSA-N 2 2 365.477 2.160 20 30 FEEDLP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249563136 549605659 /nfs/dbraw/zinc/60/56/59/549605659.db2.gz MFVQDTXUNCIRBN-YADHBBJMSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249563136 549605660 /nfs/dbraw/zinc/60/56/60/549605660.db2.gz MFVQDTXUNCIRBN-YADHBBJMSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249563136 549605662 /nfs/dbraw/zinc/60/56/62/549605662.db2.gz MFVQDTXUNCIRBN-YADHBBJMSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@H]1CCc2ccccc2C1 ZINC000262229362 549800708 /nfs/dbraw/zinc/80/07/08/549800708.db2.gz MXRDTLCNGMRYHT-IBGZPJMESA-N 2 2 360.465 2.490 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000290009897 552413517 /nfs/dbraw/zinc/41/35/17/552413517.db2.gz ZTYRJLFWENAUFH-UHFFFAOYSA-N 2 2 359.449 2.377 20 30 FEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292074044 552690953 /nfs/dbraw/zinc/69/09/53/552690953.db2.gz DZGWVRHLKYBTAB-JXFKEZNVSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292074044 552690954 /nfs/dbraw/zinc/69/09/54/552690954.db2.gz DZGWVRHLKYBTAB-JXFKEZNVSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292074044 552690956 /nfs/dbraw/zinc/69/09/56/552690956.db2.gz DZGWVRHLKYBTAB-JXFKEZNVSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292074044 552690958 /nfs/dbraw/zinc/69/09/58/552690958.db2.gz DZGWVRHLKYBTAB-JXFKEZNVSA-N 2 2 358.461 2.488 20 30 FEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C(C)C ZINC000297705568 553327789 /nfs/dbraw/zinc/32/77/89/553327789.db2.gz BABJUJOQFYYXAF-KRWDZBQOSA-N 2 2 369.469 2.088 20 30 FEEDLP Cc1[nH+]ccn1CCCN1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=[NH2+] ZINC000298740777 553466853 /nfs/dbraw/zinc/46/68/53/553466853.db2.gz BLFCZSYKBWIZNJ-UHFFFAOYSA-N 2 2 364.453 2.241 20 30 FEEDLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C[C@@H](C)O1 ZINC000328804761 553824381 /nfs/dbraw/zinc/82/43/81/553824381.db2.gz HKJIFXVXSHHWJS-OAGGEKHMSA-N 2 2 363.506 2.011 20 30 FEEDLP CCC1(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000329806500 554009297 /nfs/dbraw/zinc/00/92/97/554009297.db2.gz NYTXXZJGSZFHOO-UHFFFAOYSA-N 2 2 366.550 2.255 20 30 FEEDLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000329945132 554036926 /nfs/dbraw/zinc/03/69/26/554036926.db2.gz FRKVYBQHMDLGRB-SJORKVTESA-N 2 2 362.522 2.267 20 30 FEEDLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCN(CC)[C@H](c2[nH]cc[nH+]2)C1 ZINC000329945132 554036927 /nfs/dbraw/zinc/03/69/27/554036927.db2.gz FRKVYBQHMDLGRB-SJORKVTESA-N 2 2 362.522 2.267 20 30 FEEDLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330331175 554106302 /nfs/dbraw/zinc/10/63/02/554106302.db2.gz NWYSOIMNABAVTQ-NUJGCVRESA-N 2 2 363.506 2.408 20 30 FEEDLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330331175 554106304 /nfs/dbraw/zinc/10/63/04/554106304.db2.gz NWYSOIMNABAVTQ-NUJGCVRESA-N 2 2 363.506 2.408 20 30 FEEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)O1 ZINC000360790861 554889419 /nfs/dbraw/zinc/88/94/19/554889419.db2.gz CIYABQREDCZLMU-ZGJYDULXSA-N 2 2 369.509 2.235 20 30 FEEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)O1 ZINC000360790861 554889424 /nfs/dbraw/zinc/88/94/24/554889424.db2.gz CIYABQREDCZLMU-ZGJYDULXSA-N 2 2 369.509 2.235 20 30 FEEDLP C=CCN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000367851427 556154907 /nfs/dbraw/zinc/15/49/07/556154907.db2.gz VKBTZEGSEFIZQQ-GOSISDBHSA-N 2 2 353.470 2.392 20 30 FEEDLP C=CCN(C(=O)NCc1c[nH+]cn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367851427 556154911 /nfs/dbraw/zinc/15/49/11/556154911.db2.gz VKBTZEGSEFIZQQ-GOSISDBHSA-N 2 2 353.470 2.392 20 30 FEEDLP C=CCN(C(=O)NCCn1cc[nH+]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368925031 556450004 /nfs/dbraw/zinc/45/00/04/556450004.db2.gz PPYQCUZJPVHCPK-IBGZPJMESA-N 2 2 353.470 2.355 20 30 FEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369519193 556618363 /nfs/dbraw/zinc/61/83/63/556618363.db2.gz PIEOZYFNINHHQI-KSZLIROESA-N 2 2 373.545 2.023 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)CC2)cc1 ZINC000376163156 558135245 /nfs/dbraw/zinc/13/52/45/558135245.db2.gz QOANBAQMKDQNOO-NHCUHLMSSA-N 2 2 355.482 2.450 20 30 FEEDLP C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376965747 558245377 /nfs/dbraw/zinc/24/53/77/558245377.db2.gz BHQKQBJOAVRPRB-QGZVFWFLSA-N 2 2 366.509 2.217 20 30 FEEDLP C[C@@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376965747 558245379 /nfs/dbraw/zinc/24/53/79/558245379.db2.gz BHQKQBJOAVRPRB-QGZVFWFLSA-N 2 2 366.509 2.217 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377360226 558324562 /nfs/dbraw/zinc/32/45/62/558324562.db2.gz XUDUOQWDPGDWPO-YSIASYRMSA-N 2 2 357.502 2.061 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000377360226 558324563 /nfs/dbraw/zinc/32/45/63/558324563.db2.gz XUDUOQWDPGDWPO-YSIASYRMSA-N 2 2 357.502 2.061 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377360226 558324565 /nfs/dbraw/zinc/32/45/65/558324565.db2.gz XUDUOQWDPGDWPO-YSIASYRMSA-N 2 2 357.502 2.061 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377360226 558324568 /nfs/dbraw/zinc/32/45/68/558324568.db2.gz XUDUOQWDPGDWPO-YSIASYRMSA-N 2 2 357.502 2.061 20 30 FEEDLP N#CC1(NC(=O)C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000377771262 558416612 /nfs/dbraw/zinc/41/66/12/558416612.db2.gz FPLHVLNAVRRDQG-MOPGFXCFSA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000377771262 558416613 /nfs/dbraw/zinc/41/66/13/558416613.db2.gz FPLHVLNAVRRDQG-MOPGFXCFSA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000377771262 558416615 /nfs/dbraw/zinc/41/66/15/558416615.db2.gz FPLHVLNAVRRDQG-MOPGFXCFSA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000377771262 558416617 /nfs/dbraw/zinc/41/66/17/558416617.db2.gz FPLHVLNAVRRDQG-MOPGFXCFSA-N 2 2 352.482 2.003 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497086 560231714 /nfs/dbraw/zinc/23/17/14/560231714.db2.gz KDMUZBQZBLIHBY-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497086 560231715 /nfs/dbraw/zinc/23/17/15/560231715.db2.gz KDMUZBQZBLIHBY-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3F)C2)CC1 ZINC000449497086 560231716 /nfs/dbraw/zinc/23/17/16/560231716.db2.gz KDMUZBQZBLIHBY-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026985 560283033 /nfs/dbraw/zinc/28/30/33/560283033.db2.gz MCDGWSMRSFJSOE-IAGOWNOFSA-N 2 2 360.502 2.414 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026985 560283034 /nfs/dbraw/zinc/28/30/34/560283034.db2.gz MCDGWSMRSFJSOE-IAGOWNOFSA-N 2 2 360.502 2.414 20 30 FEEDLP C[N@H+](CCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000455616033 560489354 /nfs/dbraw/zinc/48/93/54/560489354.db2.gz OTHQUAHWCROQOW-UHFFFAOYSA-N 2 2 369.513 2.260 20 30 FEEDLP C[N@@H+](CCCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000455616033 560489355 /nfs/dbraw/zinc/48/93/55/560489355.db2.gz OTHQUAHWCROQOW-UHFFFAOYSA-N 2 2 369.513 2.260 20 30 FEEDLP CCC[NH+]1CCC([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528398457 562326886 /nfs/dbraw/zinc/32/68/86/562326886.db2.gz TWQHIOAAZBCRBV-UHFFFAOYSA-N 2 2 353.466 2.092 20 30 FEEDLP CCC[NH+]1CCC([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528398457 562326887 /nfs/dbraw/zinc/32/68/87/562326887.db2.gz TWQHIOAAZBCRBV-UHFFFAOYSA-N 2 2 353.466 2.092 20 30 FEEDLP Cc1cc[nH+]cc1N1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000534643863 562539058 /nfs/dbraw/zinc/53/90/58/562539058.db2.gz NLJGOOFLWZXOLD-UHFFFAOYSA-N 2 2 355.467 2.474 20 30 FEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000535314807 562555859 /nfs/dbraw/zinc/55/58/59/562555859.db2.gz RRIWOYLHKYGBOT-CQSZACIVSA-N 2 2 355.467 2.464 20 30 FEEDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000535314807 562555860 /nfs/dbraw/zinc/55/58/60/562555860.db2.gz RRIWOYLHKYGBOT-CQSZACIVSA-N 2 2 355.467 2.464 20 30 FEEDLP N#CC1(c2ccc(C[NH2+][C@H]3CCCN(CC[NH+]4CCOCC4)C3)cc2)CC1 ZINC000603427339 568096672 /nfs/dbraw/zinc/09/66/72/568096672.db2.gz GELQHCQXKRFXSZ-NRFANRHFSA-N 2 2 368.525 2.128 20 30 FEEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000572171065 670969833 /nfs/dbraw/zinc/96/98/33/670969833.db2.gz WPIZANHVCMPXMA-OAHLLOKOSA-N 2 2 354.376 2.006 20 30 FEEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000572171065 670969835 /nfs/dbraw/zinc/96/98/35/670969835.db2.gz WPIZANHVCMPXMA-OAHLLOKOSA-N 2 2 354.376 2.006 20 30 FEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000566114167 675182261 /nfs/dbraw/zinc/18/22/61/675182261.db2.gz BKVQJIYWVGXQMW-INIZCTEOSA-N 2 2 358.467 2.004 20 30 FEEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000583747794 672122874 /nfs/dbraw/zinc/12/28/74/672122874.db2.gz DSBYUHBKFWVWTD-MRXNPFEDSA-N 2 2 358.467 2.004 20 30 FEEDLP C=CCCSCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000596717648 673406985 /nfs/dbraw/zinc/40/69/85/673406985.db2.gz NXICCRFRDPDLDM-KRWDZBQOSA-N 2 2 354.564 2.106 20 30 FEEDLP C=CCCSCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000596717648 673406986 /nfs/dbraw/zinc/40/69/86/673406986.db2.gz NXICCRFRDPDLDM-KRWDZBQOSA-N 2 2 354.564 2.106 20 30 FEEDLP C=CCCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290197 679674418 /nfs/dbraw/zinc/67/44/18/679674418.db2.gz IKAZLAGQQFEBBV-RBUKOAKNSA-N 2 2 351.535 2.375 20 30 FEEDLP C=CCCOCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290197 679674420 /nfs/dbraw/zinc/67/44/20/679674420.db2.gz IKAZLAGQQFEBBV-RBUKOAKNSA-N 2 2 351.535 2.375 20 30 FEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998044989 680373376 /nfs/dbraw/zinc/37/33/76/680373376.db2.gz IBICDLQVHKPGFF-BRWVUGGUSA-N 2 2 357.926 2.161 20 30 FEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998044989 680373381 /nfs/dbraw/zinc/37/33/81/680373381.db2.gz IBICDLQVHKPGFF-BRWVUGGUSA-N 2 2 357.926 2.161 20 30 FEEDLP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000998044989 680373384 /nfs/dbraw/zinc/37/33/84/680373384.db2.gz IBICDLQVHKPGFF-BRWVUGGUSA-N 2 2 357.926 2.161 20 30 FEEDLP C=C(Cl)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000998044989 680373389 /nfs/dbraw/zinc/37/33/89/680373389.db2.gz IBICDLQVHKPGFF-BRWVUGGUSA-N 2 2 357.926 2.161 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000876785243 686268452 /nfs/dbraw/zinc/26/84/52/686268452.db2.gz ROAMWZAYVZVLNP-SFHVURJKSA-N 3 2 370.969 2.111 20 30 FEEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000901271349 690631683 /nfs/dbraw/zinc/63/16/83/690631683.db2.gz TXVZGOHXUUGKEM-ROUUACIJSA-N 2 2 365.905 2.336 20 30 FEEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901271349 690631685 /nfs/dbraw/zinc/63/16/85/690631685.db2.gz TXVZGOHXUUGKEM-ROUUACIJSA-N 2 2 365.905 2.336 20 30 FEEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1C#N ZINC000521643296 887808788 /nfs/dbraw/zinc/80/87/88/887808788.db2.gz BKJUWOAHFUDIHQ-MRXNPFEDSA-N 2 2 374.876 2.328 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000087193102 542742820 /nfs/dbraw/zinc/74/28/20/542742820.db2.gz GMBVYOIWJSEDJQ-NSHDSACASA-N 2 2 350.417 2.191 20 30 FEEDLP C[NH+]=C(NCC[N@@H+]1CCc2sccc2C1)NC1CC[NH+](C(C)C)CC1 ZINC000114090968 543504011 /nfs/dbraw/zinc/50/40/11/543504011.db2.gz KNOWMKDFVRVNHL-UHFFFAOYSA-N 3 2 363.575 2.144 20 30 FEEDLP C[NH+]=C(NCC[N@H+]1CCc2sccc2C1)NC1CC[NH+](C(C)C)CC1 ZINC000114090968 543504014 /nfs/dbraw/zinc/50/40/14/543504014.db2.gz KNOWMKDFVRVNHL-UHFFFAOYSA-N 3 2 363.575 2.144 20 30 FEEDLP N#Cc1ccc2[nH+]cc(CNc3cccc(C[N@H+]4CCC[C@H]4C(N)=O)c3)n2c1 ZINC000120125055 543676333 /nfs/dbraw/zinc/67/63/33/543676333.db2.gz VXKJCWLEKBQXER-IBGZPJMESA-N 2 2 374.448 2.268 20 30 FEEDLP N#Cc1ccc2[nH+]cc(CNc3cccc(C[N@@H+]4CCC[C@H]4C(N)=O)c3)n2c1 ZINC000120125055 543676337 /nfs/dbraw/zinc/67/63/37/543676337.db2.gz VXKJCWLEKBQXER-IBGZPJMESA-N 2 2 374.448 2.268 20 30 FEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000153003904 544722030 /nfs/dbraw/zinc/72/20/30/544722030.db2.gz SXCCOJNKJKRHOG-HNNXBMFYSA-N 2 2 351.516 2.286 20 30 FEEDLP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)C[NH+]1CCOCC1 ZINC000180233187 327677317 /nfs/dbraw/zinc/67/73/17/327677317.db2.gz KQKNRUQSPYMQLF-INIZCTEOSA-N 2 2 353.470 2.017 20 30 FEEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000120597944 326271692 /nfs/dbraw/zinc/27/16/92/326271692.db2.gz PPGMHQRGNRRJIM-UHFFFAOYSA-N 2 2 358.461 2.073 20 30 FEEDLP N#Cc1ccc2ncc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)n2c1 ZINC000123185720 326422818 /nfs/dbraw/zinc/42/28/18/326422818.db2.gz GAVNMDXEXHWXJI-UHFFFAOYSA-N 2 2 361.449 2.328 20 30 FEEDLP CC[NH+]=C(NCc1ccnc(OC)c1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160103011 546007382 /nfs/dbraw/zinc/00/73/82/546007382.db2.gz IHEJCEIECQRMQY-DOTOQJQBSA-N 2 2 356.474 2.335 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCNC(=O)c3ccco3)CC2)cc1 ZINC000181428405 547314302 /nfs/dbraw/zinc/31/43/02/547314302.db2.gz KSFNMELDUPCPOL-UHFFFAOYSA-N 2 2 352.438 2.135 20 30 FEEDLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000181982353 547417162 /nfs/dbraw/zinc/41/71/62/547417162.db2.gz LRDOUNAWISOCAM-QGZVFWFLSA-N 2 2 363.465 2.343 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188280239 548276559 /nfs/dbraw/zinc/27/65/59/548276559.db2.gz IPHANNYXEZEVEJ-DENIHFKCSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188280239 548276566 /nfs/dbraw/zinc/27/65/66/548276566.db2.gz IPHANNYXEZEVEJ-DENIHFKCSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188280239 548276571 /nfs/dbraw/zinc/27/65/71/548276571.db2.gz IPHANNYXEZEVEJ-DENIHFKCSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188280239 548276575 /nfs/dbraw/zinc/27/65/75/548276575.db2.gz IPHANNYXEZEVEJ-DENIHFKCSA-N 2 2 373.541 2.368 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000249422641 549590335 /nfs/dbraw/zinc/59/03/35/549590335.db2.gz HVWQNZXMCKZOBE-GOEBONIOSA-N 2 2 364.515 2.285 20 30 FEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H](C)C1 ZINC000249422641 549590340 /nfs/dbraw/zinc/59/03/40/549590340.db2.gz HVWQNZXMCKZOBE-GOEBONIOSA-N 2 2 364.515 2.285 20 30 FEEDLP C[NH+]=C(NC[C@@H](c1cccs1)[NH+](C)C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262437138 549819468 /nfs/dbraw/zinc/81/94/68/549819468.db2.gz GOZVRCWPNNFGBD-HOCLYGCPSA-N 2 2 360.531 2.149 20 30 FEEDLP CC(=O)c1ccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267001823 550026789 /nfs/dbraw/zinc/02/67/89/550026789.db2.gz HNVMBOYWRFZYHH-UHFFFAOYSA-N 2 2 368.437 2.226 20 30 FEEDLP C#CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000285517617 551768786 /nfs/dbraw/zinc/76/87/86/551768786.db2.gz BPTCOQYXXUDPBT-OHSMVPPVSA-N 2 2 369.509 2.433 20 30 FEEDLP C#CCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000285517617 551768787 /nfs/dbraw/zinc/76/87/87/551768787.db2.gz BPTCOQYXXUDPBT-OHSMVPPVSA-N 2 2 369.509 2.433 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679842 551794522 /nfs/dbraw/zinc/79/45/22/551794522.db2.gz USZLFHIACLNYHB-FGZHOGPDSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679842 551794524 /nfs/dbraw/zinc/79/45/24/551794524.db2.gz USZLFHIACLNYHB-FGZHOGPDSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679842 551794526 /nfs/dbraw/zinc/79/45/26/551794526.db2.gz USZLFHIACLNYHB-FGZHOGPDSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679842 551794528 /nfs/dbraw/zinc/79/45/28/551794528.db2.gz USZLFHIACLNYHB-FGZHOGPDSA-N 2 2 366.509 2.393 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000286090053 551847631 /nfs/dbraw/zinc/84/76/31/551847631.db2.gz DJPRCQQJCSQKDF-UHFFFAOYSA-N 2 2 372.473 2.043 20 30 FEEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000297509506 553301977 /nfs/dbraw/zinc/30/19/77/553301977.db2.gz OYYMDWYJIDIQOA-PMACEKPBSA-N 2 2 365.481 2.366 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000297509506 553301978 /nfs/dbraw/zinc/30/19/78/553301978.db2.gz OYYMDWYJIDIQOA-PMACEKPBSA-N 2 2 365.481 2.366 20 30 FEEDLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C[C@H](C)O1 ZINC000328804764 553824798 /nfs/dbraw/zinc/82/47/98/553824798.db2.gz HKJIFXVXSHHWJS-XHSDSOJGSA-N 2 2 363.506 2.011 20 30 FEEDLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](c3[nH+]ccn3C)C2)C[C@H](C)O1 ZINC000328804764 553824800 /nfs/dbraw/zinc/82/48/00/553824800.db2.gz HKJIFXVXSHHWJS-XHSDSOJGSA-N 2 2 363.506 2.011 20 30 FEEDLP CN(C)[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1c[nH+]cn1C ZINC000329081782 553877076 /nfs/dbraw/zinc/87/70/76/553877076.db2.gz DFNDMAXBZWEETL-KRWDZBQOSA-N 2 2 363.506 2.014 20 30 FEEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000329503050 553958792 /nfs/dbraw/zinc/95/87/92/553958792.db2.gz YYQCZJXCPLUQIJ-RHSMWYFYSA-N 2 2 357.433 2.343 20 30 FEEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000329503050 553958793 /nfs/dbraw/zinc/95/87/93/553958793.db2.gz YYQCZJXCPLUQIJ-RHSMWYFYSA-N 2 2 357.433 2.343 20 30 FEEDLP COC1CCC(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000330306023 554102538 /nfs/dbraw/zinc/10/25/38/554102538.db2.gz LDAAPKKQFURMET-UHFFFAOYSA-N 2 2 366.550 2.254 20 30 FEEDLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3O[C@H](CC#N)C[C@@H]32)nc[nH+]1 ZINC000360054780 554861483 /nfs/dbraw/zinc/86/14/83/554861483.db2.gz GHWUSVOMJTZJSJ-ZKXLYKBJSA-N 2 2 370.501 2.317 20 30 FEEDLP C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000363322542 555078248 /nfs/dbraw/zinc/07/82/48/555078248.db2.gz IPFWDDAWEKJRIC-HXUWFJFHSA-N 2 2 367.497 2.096 20 30 FEEDLP C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000363322542 555078250 /nfs/dbraw/zinc/07/82/50/555078250.db2.gz IPFWDDAWEKJRIC-HXUWFJFHSA-N 2 2 367.497 2.096 20 30 FEEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363322542 555078252 /nfs/dbraw/zinc/07/82/52/555078252.db2.gz IPFWDDAWEKJRIC-HXUWFJFHSA-N 2 2 367.497 2.096 20 30 FEEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363322542 555078254 /nfs/dbraw/zinc/07/82/54/555078254.db2.gz IPFWDDAWEKJRIC-HXUWFJFHSA-N 2 2 367.497 2.096 20 30 FEEDLP C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370840785 556986702 /nfs/dbraw/zinc/98/67/02/556986702.db2.gz XBVGNQMVQKODHL-GOSISDBHSA-N 2 2 357.498 2.492 20 30 FEEDLP C=CCOc1ccccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370840785 556986706 /nfs/dbraw/zinc/98/67/06/556986706.db2.gz XBVGNQMVQKODHL-GOSISDBHSA-N 2 2 357.498 2.492 20 30 FEEDLP C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000521051542 562168448 /nfs/dbraw/zinc/16/84/48/562168448.db2.gz DVFUKWBEKWWZAQ-KRWDZBQOSA-N 2 2 351.454 2.440 20 30 FEEDLP C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000521051542 562168449 /nfs/dbraw/zinc/16/84/49/562168449.db2.gz DVFUKWBEKWWZAQ-KRWDZBQOSA-N 2 2 351.454 2.440 20 30 FEEDLP C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2c2c[nH+]cn2C)cc1 ZINC000375517605 558042088 /nfs/dbraw/zinc/04/20/88/558042088.db2.gz XBALDVFOBPFFHF-JNAXZKDPSA-N 2 2 352.438 2.103 20 30 FEEDLP Cn1ccc(N2CC[C@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)n1 ZINC000375853027 558089382 /nfs/dbraw/zinc/08/93/82/558089382.db2.gz VSQCSOAQNWHNAT-FQEVSTJZSA-N 2 2 364.497 2.125 20 30 FEEDLP Cn1cc(N2CC[C@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)cn1 ZINC000376177171 558137027 /nfs/dbraw/zinc/13/70/27/558137027.db2.gz FUXPGYRBPHIJBN-FQEVSTJZSA-N 2 2 364.497 2.125 20 30 FEEDLP C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376965746 558245499 /nfs/dbraw/zinc/24/54/99/558245499.db2.gz BHQKQBJOAVRPRB-KRWDZBQOSA-N 2 2 366.509 2.217 20 30 FEEDLP C[C@H]1CN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376965746 558245501 /nfs/dbraw/zinc/24/55/01/558245501.db2.gz BHQKQBJOAVRPRB-KRWDZBQOSA-N 2 2 366.509 2.217 20 30 FEEDLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)CC1 ZINC000439532150 559996496 /nfs/dbraw/zinc/99/64/96/559996496.db2.gz SCYGRFWLVUBVLW-KRWDZBQOSA-N 2 2 364.440 2.371 20 30 FEEDLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)CC1 ZINC000439532150 559996497 /nfs/dbraw/zinc/99/64/97/559996497.db2.gz SCYGRFWLVUBVLW-KRWDZBQOSA-N 2 2 364.440 2.371 20 30 FEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000602534377 567992157 /nfs/dbraw/zinc/99/21/57/567992157.db2.gz RGPNYVGJZULCCT-LJQANCHMSA-N 3 2 371.529 2.282 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(Br)cc3C#N)C2)CC1 ZINC000590690089 672602316 /nfs/dbraw/zinc/60/23/16/672602316.db2.gz PUOWBUUOGUWJKT-CQSZACIVSA-N 2 2 364.291 2.296 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(Br)cc3C#N)C2)CC1 ZINC000590690089 672602319 /nfs/dbraw/zinc/60/23/19/672602319.db2.gz PUOWBUUOGUWJKT-CQSZACIVSA-N 2 2 364.291 2.296 20 30 FEEDLP C=CCOc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000623618117 676543811 /nfs/dbraw/zinc/54/38/11/676543811.db2.gz DVJVXWGWCHUGDM-INIZCTEOSA-N 2 2 351.878 2.334 20 30 FEEDLP C=CCOc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Cl ZINC000623618117 676543813 /nfs/dbraw/zinc/54/38/13/676543813.db2.gz DVJVXWGWCHUGDM-INIZCTEOSA-N 2 2 351.878 2.334 20 30 FEEDLP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888668 680361642 /nfs/dbraw/zinc/36/16/42/680361642.db2.gz WUHPPJOYGHUMMV-KSZLIROESA-N 2 2 369.937 2.066 20 30 FEEDLP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888668 680361645 /nfs/dbraw/zinc/36/16/45/680361645.db2.gz WUHPPJOYGHUMMV-KSZLIROESA-N 2 2 369.937 2.066 20 30 FEEDLP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000998788894 680388872 /nfs/dbraw/zinc/38/88/72/680388872.db2.gz UZHWESALTRSLAK-LHUBUQBQSA-N 2 2 362.905 2.485 20 30 FEEDLP C=CCC[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046973995 680655042 /nfs/dbraw/zinc/65/50/42/680655042.db2.gz BLICPHBNYYYKFV-RBSFLKMASA-N 2 2 352.429 2.173 20 30 FEEDLP C=CCC[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046973995 680655043 /nfs/dbraw/zinc/65/50/43/680655043.db2.gz BLICPHBNYYYKFV-RBSFLKMASA-N 2 2 352.429 2.173 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000876737686 686257393 /nfs/dbraw/zinc/25/73/93/686257393.db2.gz UGIXKPGAXYUWRO-ZDUSSCGKSA-N 2 2 369.897 2.267 20 30 FEEDLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884320949 687847598 /nfs/dbraw/zinc/84/75/98/687847598.db2.gz BGJSBNHCLFKLHO-JGWYNZBZSA-N 2 2 358.511 2.093 20 30 FEEDLP Cc1ccc(CC#N)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)[nH+]1 ZINC001164763210 721209691 /nfs/dbraw/zinc/20/96/91/721209691.db2.gz DSLSEUPYYNSKMR-OALUTQOASA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1ccc(CC#N)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)[nH+]1 ZINC001164763210 721209696 /nfs/dbraw/zinc/20/96/96/721209696.db2.gz DSLSEUPYYNSKMR-OALUTQOASA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1[nH+]c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1CC#N ZINC001164769263 721210702 /nfs/dbraw/zinc/21/07/02/721210702.db2.gz LWTLEDPGGRLTCL-MOPGFXCFSA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1[nH+]c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)ccc1CC#N ZINC001164769263 721210711 /nfs/dbraw/zinc/21/07/11/721210711.db2.gz LWTLEDPGGRLTCL-MOPGFXCFSA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1cc(NC(=O)CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000068877276 541636006 /nfs/dbraw/zinc/63/60/06/541636006.db2.gz XEHMCPYBTZBIFW-UHFFFAOYSA-N 2 2 371.441 2.245 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000069008016 541648052 /nfs/dbraw/zinc/64/80/52/541648052.db2.gz BMJDZHUNIYCLQO-UHFFFAOYSA-N 2 2 352.438 2.246 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108804 542233976 /nfs/dbraw/zinc/23/39/76/542233976.db2.gz LSGNLBWRKDYZSG-UHFFFAOYSA-N 2 2 357.502 2.382 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108804 542233978 /nfs/dbraw/zinc/23/39/78/542233978.db2.gz LSGNLBWRKDYZSG-UHFFFAOYSA-N 2 2 357.502 2.382 20 30 FEEDLP CC[C@H](c1nnc(SCCCC#N)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000078249387 542449039 /nfs/dbraw/zinc/44/90/39/542449039.db2.gz GOSJHCOVBMELQZ-OAHLLOKOSA-N 2 2 366.535 2.019 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000088209371 542747603 /nfs/dbraw/zinc/74/76/03/542747603.db2.gz WBXOXUUBVOGSHP-MRXNPFEDSA-N 2 2 370.501 2.060 20 30 FEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1C ZINC000118835147 543660395 /nfs/dbraw/zinc/66/03/95/543660395.db2.gz DORNLSIFJXRLPM-LJQANCHMSA-N 2 2 358.530 2.185 20 30 FEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1C ZINC000118835147 543660398 /nfs/dbraw/zinc/66/03/98/543660398.db2.gz DORNLSIFJXRLPM-LJQANCHMSA-N 2 2 358.530 2.185 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000130430654 544150761 /nfs/dbraw/zinc/15/07/61/544150761.db2.gz JWNPRSLULJQZQB-UHFFFAOYSA-N 2 2 372.513 2.200 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000130430654 544150763 /nfs/dbraw/zinc/15/07/63/544150763.db2.gz JWNPRSLULJQZQB-UHFFFAOYSA-N 2 2 372.513 2.200 20 30 FEEDLP C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160117434 546009288 /nfs/dbraw/zinc/00/92/88/546009288.db2.gz MJHCIKXUTBXNIU-YOEHRIQHSA-N 2 2 372.448 2.119 20 30 FEEDLP [NH2+]=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccn1 ZINC000170905875 546181781 /nfs/dbraw/zinc/18/17/81/546181781.db2.gz DDHRMQCFISESSY-UHFFFAOYSA-N 2 2 366.513 2.406 20 30 FEEDLP C[NH+]=C(NCc1ccco1)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000171408595 546207769 /nfs/dbraw/zinc/20/77/69/546207769.db2.gz CHYIYLJMNJFCAB-INIZCTEOSA-N 2 2 360.458 2.265 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(C#N)cc3F)CC2)CC1 ZINC000171485491 546211806 /nfs/dbraw/zinc/21/18/06/546211806.db2.gz JQCNSYCGJDMZET-UHFFFAOYSA-N 2 2 373.476 2.055 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180033834 547041617 /nfs/dbraw/zinc/04/16/17/547041617.db2.gz MEYYJNGMJKPTCP-HXUWFJFHSA-N 2 2 367.497 2.405 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180033834 547041622 /nfs/dbraw/zinc/04/16/22/547041622.db2.gz MEYYJNGMJKPTCP-HXUWFJFHSA-N 2 2 367.497 2.405 20 30 FEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180163887 547060444 /nfs/dbraw/zinc/06/04/44/547060444.db2.gz LPNFDZKOJKKWHH-LJQANCHMSA-N 2 2 353.470 2.159 20 30 FEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180163887 547060447 /nfs/dbraw/zinc/06/04/47/547060447.db2.gz LPNFDZKOJKKWHH-LJQANCHMSA-N 2 2 353.470 2.159 20 30 FEEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000269404526 550191431 /nfs/dbraw/zinc/19/14/31/550191431.db2.gz HDSLAZIRZHCSCI-UHFFFAOYSA-N 3 2 353.445 2.394 20 30 FEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271809832 550403391 /nfs/dbraw/zinc/40/33/91/550403391.db2.gz AQGFYSOOLXWGGY-LPHOPBHVSA-N 2 2 358.486 2.182 20 30 FEEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271809832 550403393 /nfs/dbraw/zinc/40/33/93/550403393.db2.gz AQGFYSOOLXWGGY-LPHOPBHVSA-N 2 2 358.486 2.182 20 30 FEEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000276868440 550605014 /nfs/dbraw/zinc/60/50/14/550605014.db2.gz HJGNAFRJGUBVNH-UHFFFAOYSA-N 2 2 360.259 2.376 20 30 FEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCc2cc(Br)no2)cc1 ZINC000291852873 552668312 /nfs/dbraw/zinc/66/83/12/552668312.db2.gz HXNQTSJNLGPJND-UHFFFAOYSA-N 2 2 353.220 2.336 20 30 FEEDLP Cc1nsc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C#N ZINC000297466367 553296451 /nfs/dbraw/zinc/29/64/51/553296451.db2.gz QPYARULROJPHNU-UHFFFAOYSA-N 2 2 362.503 2.003 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC1 ZINC000299003532 553502062 /nfs/dbraw/zinc/50/20/62/553502062.db2.gz ACHFMYSPGZCTGE-GOSISDBHSA-N 2 2 354.429 2.110 20 30 FEEDLP COc1ccc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000304783765 553747537 /nfs/dbraw/zinc/74/75/37/553747537.db2.gz HFJBWMABPMINIV-UHFFFAOYSA-N 3 2 359.518 2.372 20 30 FEEDLP C[N@@H+]1CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328783437 553821735 /nfs/dbraw/zinc/82/17/35/553821735.db2.gz NNIUMTCBMHRHKY-QGZVFWFLSA-N 2 2 361.490 2.022 20 30 FEEDLP C[N@H+]1CCCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328783437 553821737 /nfs/dbraw/zinc/82/17/37/553821737.db2.gz NNIUMTCBMHRHKY-QGZVFWFLSA-N 2 2 361.490 2.022 20 30 FEEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000328823448 553827833 /nfs/dbraw/zinc/82/78/33/553827833.db2.gz GQVPTFZROGZTRP-MRXNPFEDSA-N 2 2 355.442 2.022 20 30 FEEDLP C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)[C@@H]2C1 ZINC000329537681 553964036 /nfs/dbraw/zinc/96/40/36/553964036.db2.gz MGPJJVRQCDUNDX-BZUAXINKSA-N 2 2 359.518 2.435 20 30 FEEDLP C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)[C@@H]2C1 ZINC000329537681 553964037 /nfs/dbraw/zinc/96/40/37/553964037.db2.gz MGPJJVRQCDUNDX-BZUAXINKSA-N 2 2 359.518 2.435 20 30 FEEDLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)CC2)s1 ZINC000329713982 553994308 /nfs/dbraw/zinc/99/43/08/553994308.db2.gz SHTYIPDVQMENDK-CQSZACIVSA-N 2 2 363.531 2.134 20 30 FEEDLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)CC2)s1 ZINC000329713982 553994309 /nfs/dbraw/zinc/99/43/09/553994309.db2.gz SHTYIPDVQMENDK-CQSZACIVSA-N 2 2 363.531 2.134 20 30 FEEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329800323 554007955 /nfs/dbraw/zinc/00/79/55/554007955.db2.gz IJFNVKFJOZURSB-LJQANCHMSA-N 2 2 369.469 2.083 20 30 FEEDLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(F)(C#N)CC1 ZINC000510905666 561850200 /nfs/dbraw/zinc/85/02/00/561850200.db2.gz RJJYUEQUNWRPEO-QGZVFWFLSA-N 2 2 372.488 2.483 20 30 FEEDLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000510930768 561850964 /nfs/dbraw/zinc/85/09/64/561850964.db2.gz AKEYYYZMRKXXBS-UHFFFAOYSA-N 2 2 372.488 2.357 20 30 FEEDLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000510930768 561850965 /nfs/dbraw/zinc/85/09/65/561850965.db2.gz AKEYYYZMRKXXBS-UHFFFAOYSA-N 2 2 372.488 2.357 20 30 FEEDLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@H]32)nc[nH+]1 ZINC000360054769 554861116 /nfs/dbraw/zinc/86/11/16/554861116.db2.gz GHWUSVOMJTZJSJ-ICUGJSFKSA-N 2 2 370.501 2.317 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1 ZINC000363764208 555181035 /nfs/dbraw/zinc/18/10/35/555181035.db2.gz USWJKQFLZQXDKH-KRWDZBQOSA-N 2 2 370.497 2.000 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1 ZINC000363764208 555181036 /nfs/dbraw/zinc/18/10/36/555181036.db2.gz USWJKQFLZQXDKH-KRWDZBQOSA-N 2 2 370.497 2.000 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)cc1C#N ZINC000369671134 556664787 /nfs/dbraw/zinc/66/47/87/556664787.db2.gz DAVYDNASXSTLQE-JXFKEZNVSA-N 2 2 353.470 2.473 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1C#N ZINC000369671134 556664788 /nfs/dbraw/zinc/66/47/88/556664788.db2.gz DAVYDNASXSTLQE-JXFKEZNVSA-N 2 2 353.470 2.473 20 30 FEEDLP CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830052 556982712 /nfs/dbraw/zinc/98/27/12/556982712.db2.gz KUGSSCXSXNQVMH-AQKVLALTSA-N 2 2 352.482 2.198 20 30 FEEDLP CN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830052 556982715 /nfs/dbraw/zinc/98/27/15/556982715.db2.gz KUGSSCXSXNQVMH-AQKVLALTSA-N 2 2 352.482 2.198 20 30 FEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000371439155 557187036 /nfs/dbraw/zinc/18/70/36/557187036.db2.gz SJBMKFACVKIOPE-LSDHHAIUSA-N 2 2 365.481 2.273 20 30 FEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000371439155 557187038 /nfs/dbraw/zinc/18/70/38/557187038.db2.gz SJBMKFACVKIOPE-LSDHHAIUSA-N 2 2 365.481 2.273 20 30 FEEDLP Cn1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)n1 ZINC000375853028 558089327 /nfs/dbraw/zinc/08/93/27/558089327.db2.gz VSQCSOAQNWHNAT-HXUWFJFHSA-N 2 2 364.497 2.125 20 30 FEEDLP Cc1[nH+]ccn1-c1cncc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000378417776 558552416 /nfs/dbraw/zinc/55/24/16/558552416.db2.gz WGHYVGUEEVKZAV-UHFFFAOYSA-N 2 2 359.437 2.165 20 30 FEEDLP COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408081091 558644316 /nfs/dbraw/zinc/64/43/16/558644316.db2.gz URBDAAHOBVFERA-HNNXBMFYSA-N 2 2 371.485 2.199 20 30 FEEDLP COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000408081091 558644319 /nfs/dbraw/zinc/64/43/19/558644319.db2.gz URBDAAHOBVFERA-HNNXBMFYSA-N 2 2 371.485 2.199 20 30 FEEDLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000411164621 558847298 /nfs/dbraw/zinc/84/72/98/558847298.db2.gz MNEFOOJATXLRPI-UHFFFAOYSA-N 2 2 362.477 2.431 20 30 FEEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411191100 558851231 /nfs/dbraw/zinc/85/12/31/558851231.db2.gz IJBZOTUZIAMPGA-MRXNPFEDSA-N 2 2 360.458 2.135 20 30 FEEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411191100 558851233 /nfs/dbraw/zinc/85/12/33/558851233.db2.gz IJBZOTUZIAMPGA-MRXNPFEDSA-N 2 2 360.458 2.135 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CC[C@H](C(N)=O)CC3)CC2)cc1 ZINC000421351294 559539922 /nfs/dbraw/zinc/53/99/22/559539922.db2.gz NVHKPEDZNALABK-UAPYVXQJSA-N 2 2 354.498 2.404 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495529 560231687 /nfs/dbraw/zinc/23/16/87/560231687.db2.gz HWLSIPCRLISLQU-NRFANRHFSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495529 560231688 /nfs/dbraw/zinc/23/16/88/560231688.db2.gz HWLSIPCRLISLQU-NRFANRHFSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495529 560231689 /nfs/dbraw/zinc/23/16/89/560231689.db2.gz HWLSIPCRLISLQU-NRFANRHFSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495529 560231690 /nfs/dbraw/zinc/23/16/90/560231690.db2.gz HWLSIPCRLISLQU-NRFANRHFSA-N 2 2 354.498 2.324 20 30 FEEDLP CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450229055 560254711 /nfs/dbraw/zinc/25/47/11/560254711.db2.gz WDDPLFBOSKVOCN-OALUTQOASA-N 2 2 371.529 2.306 20 30 FEEDLP CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450229055 560254712 /nfs/dbraw/zinc/25/47/12/560254712.db2.gz WDDPLFBOSKVOCN-OALUTQOASA-N 2 2 371.529 2.306 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000469605149 560959390 /nfs/dbraw/zinc/95/93/90/560959390.db2.gz PRKUPYYMXUTGSA-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000469605149 560959391 /nfs/dbraw/zinc/95/93/91/560959391.db2.gz PRKUPYYMXUTGSA-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000469605149 560959392 /nfs/dbraw/zinc/95/93/92/560959392.db2.gz PRKUPYYMXUTGSA-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000469605149 560959393 /nfs/dbraw/zinc/95/93/93/560959393.db2.gz PRKUPYYMXUTGSA-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000528426420 562328697 /nfs/dbraw/zinc/32/86/97/562328697.db2.gz SZDYIQITPPDXQT-VQIMIIECSA-N 2 2 362.433 2.066 20 30 FEEDLP C[C@@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1n1cc[nH+]c1 ZINC000528426420 562328698 /nfs/dbraw/zinc/32/86/98/562328698.db2.gz SZDYIQITPPDXQT-VQIMIIECSA-N 2 2 362.433 2.066 20 30 FEEDLP CC(C)[N@H+](C)CC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000532828724 562490031 /nfs/dbraw/zinc/49/00/31/562490031.db2.gz PIPVTWXHVBOLQG-UHFFFAOYSA-N 2 2 363.527 2.384 20 30 FEEDLP CC(C)[N@@H+](C)CC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000532828724 562490032 /nfs/dbraw/zinc/49/00/32/562490032.db2.gz PIPVTWXHVBOLQG-UHFFFAOYSA-N 2 2 363.527 2.384 20 30 FEEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](Cc4ccc(F)cc4)CC3)cnc12 ZINC000549763606 562639132 /nfs/dbraw/zinc/63/91/32/562639132.db2.gz JASLVSLSIOJHGO-UHFFFAOYSA-N 2 2 364.428 2.494 20 30 FEEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597990151 673527540 /nfs/dbraw/zinc/52/75/40/673527540.db2.gz ORFOZMXTMQBDBZ-UHFFFAOYSA-N 2 2 357.285 2.478 20 30 FEEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(Cl)cc(C#N)cc1Cl ZINC000597990151 673527542 /nfs/dbraw/zinc/52/75/42/673527542.db2.gz ORFOZMXTMQBDBZ-UHFFFAOYSA-N 2 2 357.285 2.478 20 30 FEEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)CC1 ZINC000921539880 683496797 /nfs/dbraw/zinc/49/67/97/683496797.db2.gz QQUHPVZMRKCEJF-UHFFFAOYSA-N 2 2 354.479 2.297 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000876780037 686267461 /nfs/dbraw/zinc/26/74/61/686267461.db2.gz BFIHYOJRLLMRMG-QGZVFWFLSA-N 2 2 350.894 2.233 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000876784409 686268384 /nfs/dbraw/zinc/26/83/84/686268384.db2.gz DSOLETWFMNCULM-QGZVFWFLSA-N 2 2 350.894 2.308 20 30 FEEDLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2sccc2C#N)CC1 ZINC000080746934 542605003 /nfs/dbraw/zinc/60/50/03/542605003.db2.gz NKUBYRZCZIDNNJ-UHFFFAOYSA-N 2 2 364.515 2.381 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000087497159 542746870 /nfs/dbraw/zinc/74/68/70/542746870.db2.gz LGCJMJPQBDDLNO-VXGBXAGGSA-N 2 2 360.428 2.272 20 30 FEEDLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)c1 ZINC000104719391 543139061 /nfs/dbraw/zinc/13/90/61/543139061.db2.gz COBSDCGABWZDFZ-UHFFFAOYSA-N 2 2 371.466 2.174 20 30 FEEDLP N#Cc1ccc2ncc(C[NH2+]C3CC[NH+](CCc4ccncc4)CC3)n2c1 ZINC000123541349 543768373 /nfs/dbraw/zinc/76/83/73/543768373.db2.gz ARQCZKCSNJNINJ-UHFFFAOYSA-N 2 2 360.465 2.398 20 30 FEEDLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000153910781 544839108 /nfs/dbraw/zinc/83/91/08/544839108.db2.gz NGAJAVGYUJJINV-OALUTQOASA-N 2 2 356.514 2.427 20 30 FEEDLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 ZINC000181781845 327745892 /nfs/dbraw/zinc/74/58/92/327745892.db2.gz SFIWDJDMOBBLMY-SFHVURJKSA-N 2 2 356.514 2.081 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000190003697 328181730 /nfs/dbraw/zinc/18/17/30/328181730.db2.gz LYELFEBJBUJBBO-APWZRJJASA-N 2 2 358.486 2.223 20 30 FEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000190003697 328181732 /nfs/dbraw/zinc/18/17/32/328181732.db2.gz LYELFEBJBUJBBO-APWZRJJASA-N 2 2 358.486 2.223 20 30 FEEDLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478261608 561163299 /nfs/dbraw/zinc/16/32/99/561163299.db2.gz XWRSYLZYAJXGKT-MRXNPFEDSA-N 2 2 353.470 2.159 20 30 FEEDLP CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160085963 546007062 /nfs/dbraw/zinc/00/70/62/546007062.db2.gz YAZABPANRUUEFW-RDTXWAMCSA-N 2 2 357.506 2.282 20 30 FEEDLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000173644401 546284648 /nfs/dbraw/zinc/28/46/48/546284648.db2.gz NJJNMVQWLLKOAD-GOSISDBHSA-N 2 2 372.513 2.331 20 30 FEEDLP C#CCOc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000188053859 548270420 /nfs/dbraw/zinc/27/04/20/548270420.db2.gz VDPPDNLHZMTQQK-UHFFFAOYSA-N 2 2 358.486 2.188 20 30 FEEDLP C#CCOc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000188053859 548270424 /nfs/dbraw/zinc/27/04/24/548270424.db2.gz VDPPDNLHZMTQQK-UHFFFAOYSA-N 2 2 358.486 2.188 20 30 FEEDLP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261952160 549773712 /nfs/dbraw/zinc/77/37/12/549773712.db2.gz HTGHSNLTPXZFHQ-AEFFLSMTSA-N 2 2 365.485 2.498 20 30 FEEDLP CCOc1ccccc1NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267006833 550026862 /nfs/dbraw/zinc/02/68/62/550026862.db2.gz KEQLPBOATVJWKN-UHFFFAOYSA-N 2 2 370.453 2.423 20 30 FEEDLP NC(=[NH+]OCc1nnc2n1CCCC2)c1cccc(C[NH+]2CCCCC2)c1 ZINC000278206435 550760668 /nfs/dbraw/zinc/76/06/68/550760668.db2.gz GIYKOGUDSUJZRZ-UHFFFAOYSA-N 2 2 368.485 2.437 20 30 FEEDLP C(#CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000284235138 551506726 /nfs/dbraw/zinc/50/67/26/551506726.db2.gz VICFPGGLNMAGOE-QZTJIDSGSA-N 4 2 352.486 2.195 20 30 FEEDLP C(#CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000284235138 551506728 /nfs/dbraw/zinc/50/67/28/551506728.db2.gz VICFPGGLNMAGOE-QZTJIDSGSA-N 4 2 352.486 2.195 20 30 FEEDLP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000284343599 551528397 /nfs/dbraw/zinc/52/83/97/551528397.db2.gz MYOWPXBHSMWAOX-UXHICEINSA-N 2 2 359.514 2.270 20 30 FEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289397299 552314329 /nfs/dbraw/zinc/31/43/29/552314329.db2.gz RPZYXBRLKOJBFR-INIZCTEOSA-N 2 2 351.454 2.117 20 30 FEEDLP C[NH+]1CCC(CNC(=O)c2cc(F)cc3n[nH]nc32)([NH+]2CCCCC2)CC1 ZINC000328655701 553803191 /nfs/dbraw/zinc/80/31/91/553803191.db2.gz NCNFFPWGEICEKI-UHFFFAOYSA-N 2 2 374.464 2.352 20 30 FEEDLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861675 553834300 /nfs/dbraw/zinc/83/43/00/553834300.db2.gz LWDBOKZVZQOIFO-IBGZPJMESA-N 2 2 374.441 2.335 20 30 FEEDLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861675 553834303 /nfs/dbraw/zinc/83/43/03/553834303.db2.gz LWDBOKZVZQOIFO-IBGZPJMESA-N 2 2 374.441 2.335 20 30 FEEDLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861675 553834306 /nfs/dbraw/zinc/83/43/06/553834306.db2.gz LWDBOKZVZQOIFO-IBGZPJMESA-N 2 2 374.441 2.335 20 30 FEEDLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861675 553834309 /nfs/dbraw/zinc/83/43/09/553834309.db2.gz LWDBOKZVZQOIFO-IBGZPJMESA-N 2 2 374.441 2.335 20 30 FEEDLP Cc1ncsc1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000329813090 554010339 /nfs/dbraw/zinc/01/03/39/554010339.db2.gz SPJNQNMDMVQWHZ-UHFFFAOYSA-N 2 2 365.547 2.405 20 30 FEEDLP CCN1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329973674 554042205 /nfs/dbraw/zinc/04/22/05/554042205.db2.gz WXYDNOWLXXWRAM-GOSISDBHSA-N 2 2 374.533 2.409 20 30 FEEDLP CCN1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329999353 554046694 /nfs/dbraw/zinc/04/66/94/554046694.db2.gz UPLHUPBMVLJKNQ-OAHLLOKOSA-N 2 2 362.522 2.312 20 30 FEEDLP C[C@@H]1CCC[N@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@@H]1CO ZINC000330314509 554104068 /nfs/dbraw/zinc/10/40/68/554104068.db2.gz PESNWNRRGCCITR-UKRRQHHQSA-N 2 2 352.504 2.420 20 30 FEEDLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@@H]1CO ZINC000330314509 554104073 /nfs/dbraw/zinc/10/40/73/554104073.db2.gz PESNWNRRGCCITR-UKRRQHHQSA-N 2 2 352.504 2.420 20 30 FEEDLP CCC[NH+]1CCC(CNC(=O)N2CCN(CC)[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000330337157 554107218 /nfs/dbraw/zinc/10/72/18/554107218.db2.gz TUPBZMJZBZEKDR-KRWDZBQOSA-N 2 2 362.522 2.124 20 30 FEEDLP C[C@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363036209 555015414 /nfs/dbraw/zinc/01/54/14/555015414.db2.gz DMECFFXBOGSZFP-QGZVFWFLSA-N 2 2 370.497 2.320 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175383 555263378 /nfs/dbraw/zinc/26/33/78/555263378.db2.gz INCFXRJUZQRBHW-INIZCTEOSA-N 2 2 358.511 2.201 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175383 555263381 /nfs/dbraw/zinc/26/33/81/555263381.db2.gz INCFXRJUZQRBHW-INIZCTEOSA-N 2 2 358.511 2.201 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175384 555263391 /nfs/dbraw/zinc/26/33/91/555263391.db2.gz INCFXRJUZQRBHW-MRXNPFEDSA-N 2 2 358.511 2.201 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000364175384 555263394 /nfs/dbraw/zinc/26/33/94/555263394.db2.gz INCFXRJUZQRBHW-MRXNPFEDSA-N 2 2 358.511 2.201 20 30 FEEDLP C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000369275596 556561269 /nfs/dbraw/zinc/56/12/69/556561269.db2.gz XYIZELQPWHIUIU-QGZVFWFLSA-N 2 2 373.497 2.158 20 30 FEEDLP C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000369275596 556561274 /nfs/dbraw/zinc/56/12/74/556561274.db2.gz XYIZELQPWHIUIU-QGZVFWFLSA-N 2 2 373.497 2.158 20 30 FEEDLP C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370147557 556793394 /nfs/dbraw/zinc/79/33/94/556793394.db2.gz DNTHEZAFAVRWQC-WIYYLYMNSA-N 2 2 356.514 2.285 20 30 FEEDLP C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370147557 556793396 /nfs/dbraw/zinc/79/33/96/556793396.db2.gz DNTHEZAFAVRWQC-WIYYLYMNSA-N 2 2 356.514 2.285 20 30 FEEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+]4CCCC[C@H]4CO3)CC2)cc1 ZINC000375896759 558095594 /nfs/dbraw/zinc/09/55/94/558095594.db2.gz ZUOBGTDPYJSCLF-LEWJYISDSA-N 2 2 354.498 2.370 20 30 FEEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3C[N@H+]4CCCC[C@H]4CO3)CC2)cc1 ZINC000375896759 558095595 /nfs/dbraw/zinc/09/55/95/558095595.db2.gz ZUOBGTDPYJSCLF-LEWJYISDSA-N 2 2 354.498 2.370 20 30 FEEDLP Cc1cc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413215344 559089154 /nfs/dbraw/zinc/08/91/54/559089154.db2.gz AEOLJMVEHBQVOP-OAHLLOKOSA-N 2 2 357.458 2.380 20 30 FEEDLP Cc1cc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413215344 559089156 /nfs/dbraw/zinc/08/91/56/559089156.db2.gz AEOLJMVEHBQVOP-OAHLLOKOSA-N 2 2 357.458 2.380 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000419494912 559445026 /nfs/dbraw/zinc/44/50/26/559445026.db2.gz RFEYZRCPRAQGNB-FQEVSTJZSA-N 2 2 369.513 2.261 20 30 FEEDLP Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)c(C#N)c[nH+]1 ZINC000425215075 559691826 /nfs/dbraw/zinc/69/18/26/559691826.db2.gz LQJDGMRAPJGWQR-UHFFFAOYSA-N 2 2 369.513 2.470 20 30 FEEDLP CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450229052 560254795 /nfs/dbraw/zinc/25/47/95/560254795.db2.gz WDDPLFBOSKVOCN-MOPGFXCFSA-N 2 2 371.529 2.306 20 30 FEEDLP CN(C(=O)c1ccc(C#N)n1C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450229052 560254796 /nfs/dbraw/zinc/25/47/96/560254796.db2.gz WDDPLFBOSKVOCN-MOPGFXCFSA-N 2 2 371.529 2.306 20 30 FEEDLP N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000459453929 560687357 /nfs/dbraw/zinc/68/73/57/560687357.db2.gz DHAGMKOXWNQRAL-SJLPKXTDSA-N 2 2 360.889 2.266 20 30 FEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000602722084 568023129 /nfs/dbraw/zinc/02/31/29/568023129.db2.gz LZIXBFCYABXRNO-TZIWHRDSSA-N 2 2 370.541 2.491 20 30 FEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000602722084 568023132 /nfs/dbraw/zinc/02/31/32/568023132.db2.gz LZIXBFCYABXRNO-TZIWHRDSSA-N 2 2 370.541 2.491 20 30 FEEDLP C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167072236 672320096 /nfs/dbraw/zinc/32/00/96/672320096.db2.gz VLXCFMZWNWFRBX-MSOLQXFVSA-N 2 2 357.564 2.161 20 30 FEEDLP C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167072236 672320098 /nfs/dbraw/zinc/32/00/98/672320098.db2.gz VLXCFMZWNWFRBX-MSOLQXFVSA-N 2 2 357.564 2.161 20 30 FEEDLP CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000612611342 676090267 /nfs/dbraw/zinc/09/02/67/676090267.db2.gz NMFDJGZEVNQZIB-KRWDZBQOSA-N 2 2 360.889 2.452 20 30 FEEDLP CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000612611342 676090269 /nfs/dbraw/zinc/09/02/69/676090269.db2.gz NMFDJGZEVNQZIB-KRWDZBQOSA-N 2 2 360.889 2.452 20 30 FEEDLP C=CCCSCCNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000595487014 673257232 /nfs/dbraw/zinc/25/72/32/673257232.db2.gz BULPEOJQQQWTEY-UHFFFAOYSA-N 2 2 354.564 2.154 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000876713618 686251249 /nfs/dbraw/zinc/25/12/49/686251249.db2.gz LPEDCHMHLKHZAO-CQSZACIVSA-N 2 2 351.882 2.027 20 30 FEEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C#N)ccc3F)CC2)CC1 ZINC000111241550 543388727 /nfs/dbraw/zinc/38/87/27/543388727.db2.gz QCRMKXPVLKNYMY-UHFFFAOYSA-N 2 2 358.461 2.073 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000122934926 543732450 /nfs/dbraw/zinc/73/24/50/543732450.db2.gz NTRJAWHBJYIENU-UHFFFAOYSA-N 2 2 374.554 2.276 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSCc1ccc(C#N)cc1 ZINC000122934926 543732453 /nfs/dbraw/zinc/73/24/53/543732453.db2.gz NTRJAWHBJYIENU-UHFFFAOYSA-N 2 2 374.554 2.276 20 30 FEEDLP Cc1oc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000123636115 543774188 /nfs/dbraw/zinc/77/41/88/543774188.db2.gz SIHUEEKFLUIKJG-OAHLLOKOSA-N 2 2 355.442 2.395 20 30 FEEDLP Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C#N)c1C ZINC000123636115 543774190 /nfs/dbraw/zinc/77/41/90/543774190.db2.gz SIHUEEKFLUIKJG-OAHLLOKOSA-N 2 2 355.442 2.395 20 30 FEEDLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n2c1 ZINC000192243497 328308835 /nfs/dbraw/zinc/30/88/35/328308835.db2.gz SKJJIZZNOIXXQF-IBGZPJMESA-N 2 2 359.433 2.405 20 30 FEEDLP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000170780153 327098721 /nfs/dbraw/zinc/09/87/21/327098721.db2.gz AVLWJPBVRRTTBF-CALCHBBNSA-N 2 2 370.497 2.318 20 30 FEEDLP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000170780153 327098722 /nfs/dbraw/zinc/09/87/22/327098722.db2.gz AVLWJPBVRRTTBF-CALCHBBNSA-N 2 2 370.497 2.318 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000171586121 546215240 /nfs/dbraw/zinc/21/52/40/546215240.db2.gz CUJMLBJACFCEJP-GOSISDBHSA-N 2 2 369.509 2.246 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000178089979 546737309 /nfs/dbraw/zinc/73/73/09/546737309.db2.gz NIXVWIAYHSHICZ-UHFFFAOYSA-N 2 2 360.477 2.303 20 30 FEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000182850543 547561289 /nfs/dbraw/zinc/56/12/89/547561289.db2.gz NAWYXHIMUBEXHO-YZGWKJHDSA-N 2 2 352.482 2.470 20 30 FEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000182850543 547561292 /nfs/dbraw/zinc/56/12/92/547561292.db2.gz NAWYXHIMUBEXHO-YZGWKJHDSA-N 2 2 352.482 2.470 20 30 FEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000182850543 547561298 /nfs/dbraw/zinc/56/12/98/547561298.db2.gz NAWYXHIMUBEXHO-YZGWKJHDSA-N 2 2 352.482 2.470 20 30 FEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000182850543 547561302 /nfs/dbraw/zinc/56/13/02/547561302.db2.gz NAWYXHIMUBEXHO-YZGWKJHDSA-N 2 2 352.482 2.470 20 30 FEEDLP C=CCC[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000185476489 547989510 /nfs/dbraw/zinc/98/95/10/547989510.db2.gz BNYNHAOWLAPNCM-MRXNPFEDSA-N 2 2 351.516 2.067 20 30 FEEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262012589 549779683 /nfs/dbraw/zinc/77/96/83/549779683.db2.gz WXSZWNLWVJDCLZ-KRWDZBQOSA-N 2 2 364.453 2.001 20 30 FEEDLP C[C@@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000267132658 550027819 /nfs/dbraw/zinc/02/78/19/550027819.db2.gz FBCCLFFFBDWPQQ-AWEZNQCLSA-N 2 2 358.486 2.175 20 30 FEEDLP C=CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCc1ccco1 ZINC000491386492 561445144 /nfs/dbraw/zinc/44/51/44/561445144.db2.gz XDJPUKKLHZGQIO-UHFFFAOYSA-N 2 2 368.481 2.444 20 30 FEEDLP C=CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCc1ccco1 ZINC000491386492 561445145 /nfs/dbraw/zinc/44/51/45/561445145.db2.gz XDJPUKKLHZGQIO-UHFFFAOYSA-N 2 2 368.481 2.444 20 30 FEEDLP C#CCn1ccc(C[N@H+](CC)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000279728237 550922420 /nfs/dbraw/zinc/92/24/20/550922420.db2.gz MWIYATMODNSPCX-IBGZPJMESA-N 2 2 365.481 2.366 20 30 FEEDLP C#CCn1ccc(C[N@@H+](CC)C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000279728237 550922422 /nfs/dbraw/zinc/92/24/22/550922422.db2.gz MWIYATMODNSPCX-IBGZPJMESA-N 2 2 365.481 2.366 20 30 FEEDLP COCCn1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC000282690619 551260323 /nfs/dbraw/zinc/26/03/23/551260323.db2.gz KGBCBIKSKAGRSZ-UHFFFAOYSA-N 2 2 353.470 2.155 20 30 FEEDLP C#CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000285653418 551790072 /nfs/dbraw/zinc/79/00/72/551790072.db2.gz YMSSNNDBVUBCEA-IHWFROFDSA-N 2 2 369.509 2.262 20 30 FEEDLP C#CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000285653418 551790073 /nfs/dbraw/zinc/79/00/73/551790073.db2.gz YMSSNNDBVUBCEA-IHWFROFDSA-N 2 2 369.509 2.262 20 30 FEEDLP C[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@@H]1[NH+](C)C ZINC000329132566 553886531 /nfs/dbraw/zinc/88/65/31/553886531.db2.gz ATKYIGKTOVONHL-HIFRSBDPSA-N 2 2 351.520 2.209 20 30 FEEDLP CN(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1c[nH+]cn1C ZINC000329180386 553896498 /nfs/dbraw/zinc/89/64/98/553896498.db2.gz DJYXCVYGEPOMJH-KRWDZBQOSA-N 2 2 363.506 2.014 20 30 FEEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)[C@@H]2C1 ZINC000329279622 553916510 /nfs/dbraw/zinc/91/65/10/553916510.db2.gz LTKDYSAFKHUAEH-RTBURBONSA-N 2 2 353.470 2.371 20 30 FEEDLP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329336622 553927472 /nfs/dbraw/zinc/92/74/72/553927472.db2.gz LWORZLRRPMXUQQ-QGZVFWFLSA-N 2 2 363.506 2.218 20 30 FEEDLP CC(C)[N@H+]1CCCN(C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329336622 553927478 /nfs/dbraw/zinc/92/74/78/553927478.db2.gz LWORZLRRPMXUQQ-QGZVFWFLSA-N 2 2 363.506 2.218 20 30 FEEDLP Cc1csc(NC(=O)C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000329681124 553987232 /nfs/dbraw/zinc/98/72/32/553987232.db2.gz RUEOAZFPWGTJQM-UHFFFAOYSA-N 2 2 365.547 2.389 20 30 FEEDLP Cc1cnc(N2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000330260682 554095003 /nfs/dbraw/zinc/09/50/03/554095003.db2.gz OMXXIQBDQHEVBU-UHFFFAOYSA-N 2 2 365.547 2.403 20 30 FEEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000330277491 554098548 /nfs/dbraw/zinc/09/85/48/554098548.db2.gz OITUUZPNLMXATF-IRXDYDNUSA-N 2 2 363.506 2.312 20 30 FEEDLP C[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)[NH+]1CCC(C)CC1 ZINC000330322017 554105153 /nfs/dbraw/zinc/10/51/53/554105153.db2.gz GMNZTNKSYFYMFL-NUJGCVRESA-N 2 2 363.506 2.264 20 30 FEEDLP C=CCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000367472561 556059643 /nfs/dbraw/zinc/05/96/43/556059643.db2.gz OXUBJFPQCUFPQB-IBGZPJMESA-N 2 2 359.514 2.472 20 30 FEEDLP C=CCOc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000367472561 556059645 /nfs/dbraw/zinc/05/96/45/556059645.db2.gz OXUBJFPQCUFPQB-IBGZPJMESA-N 2 2 359.514 2.472 20 30 FEEDLP C[C@@H]([NH2+]C1CC[NH+](CC(=O)N2CCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000369840306 556709099 /nfs/dbraw/zinc/70/90/99/556709099.db2.gz KWIHJMIXWPMZFV-QGZVFWFLSA-N 2 2 370.497 2.326 20 30 FEEDLP C#CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090853 557072100 /nfs/dbraw/zinc/07/21/00/557072100.db2.gz YRKSTNIIWZLDQM-AZUAARDMSA-N 2 2 354.498 2.219 20 30 FEEDLP C#CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090853 557072102 /nfs/dbraw/zinc/07/21/02/557072102.db2.gz YRKSTNIIWZLDQM-AZUAARDMSA-N 2 2 354.498 2.219 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372478310 557480903 /nfs/dbraw/zinc/48/09/03/557480903.db2.gz QBXIMHMMHYDTLH-CADBVGFASA-N 2 2 351.535 2.279 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372478310 557480905 /nfs/dbraw/zinc/48/09/05/557480905.db2.gz QBXIMHMMHYDTLH-CADBVGFASA-N 2 2 351.535 2.279 20 30 FEEDLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000375600201 558054884 /nfs/dbraw/zinc/05/48/84/558054884.db2.gz SMLKFCKMOPHWIW-OAQYLSRUSA-N 2 2 356.514 2.348 20 30 FEEDLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 ZINC000375600201 558054885 /nfs/dbraw/zinc/05/48/85/558054885.db2.gz SMLKFCKMOPHWIW-OAQYLSRUSA-N 2 2 356.514 2.348 20 30 FEEDLP C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369068 558541198 /nfs/dbraw/zinc/54/11/98/558541198.db2.gz JPFGCWIJZXCSQN-QGZVFWFLSA-N 2 2 351.498 2.411 20 30 FEEDLP C[C@@H]1CN(Cc2cn3ccccc3c2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378369068 558541201 /nfs/dbraw/zinc/54/12/01/558541201.db2.gz JPFGCWIJZXCSQN-QGZVFWFLSA-N 2 2 351.498 2.411 20 30 FEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000425539642 559708560 /nfs/dbraw/zinc/70/85/60/559708560.db2.gz UDNKISVWGWLQPD-KRWDZBQOSA-N 2 2 366.465 2.488 20 30 FEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000425539642 559708561 /nfs/dbraw/zinc/70/85/61/559708561.db2.gz UDNKISVWGWLQPD-KRWDZBQOSA-N 2 2 366.465 2.488 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441388519 560031096 /nfs/dbraw/zinc/03/10/96/560031096.db2.gz RZOAWLDGNMUNCZ-AEFFLSMTSA-N 2 2 369.469 2.231 20 30 FEEDLP C[NH+](C)CC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C ZINC000575796530 671321505 /nfs/dbraw/zinc/32/15/05/671321505.db2.gz CXOMMCUBWAURMK-KRWDZBQOSA-N 2 2 351.516 2.288 20 30 FEEDLP C=CCCOCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678840921 672447567 /nfs/dbraw/zinc/44/75/67/672447567.db2.gz KNKAYUMKNUHTAN-LJQANCHMSA-N 2 2 351.535 2.376 20 30 FEEDLP C=CCCOCCCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678840921 672447569 /nfs/dbraw/zinc/44/75/69/672447569.db2.gz KNKAYUMKNUHTAN-LJQANCHMSA-N 2 2 351.535 2.376 20 30 FEEDLP [NH2+]=C(NCCc1cccs1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000303910651 673019250 /nfs/dbraw/zinc/01/92/50/673019250.db2.gz ZBEJFOXNZDNVTC-UHFFFAOYSA-N 2 2 358.511 2.227 20 30 FEEDLP C=CCCOCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290195 679674313 /nfs/dbraw/zinc/67/43/13/679674313.db2.gz IKAZLAGQQFEBBV-MOPGFXCFSA-N 2 2 351.535 2.375 20 30 FEEDLP C=CCCOCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290195 679674314 /nfs/dbraw/zinc/67/43/14/679674314.db2.gz IKAZLAGQQFEBBV-MOPGFXCFSA-N 2 2 351.535 2.375 20 30 FEEDLP C[NH+]1CCC(CNC(=O)NCc2ccc(C#N)cc2)([NH+]2CCCCC2)CC1 ZINC000073630564 541977845 /nfs/dbraw/zinc/97/78/45/541977845.db2.gz LWYKBXGIXPTECS-UHFFFAOYSA-N 2 2 369.513 2.308 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1ccc(C#N)cc1 ZINC000103206509 543097179 /nfs/dbraw/zinc/09/71/79/543097179.db2.gz RUCLHHNVNBEZDG-UHFFFAOYSA-N 2 2 360.527 2.135 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1ccc(C#N)cc1 ZINC000103206509 543097180 /nfs/dbraw/zinc/09/71/80/543097180.db2.gz RUCLHHNVNBEZDG-UHFFFAOYSA-N 2 2 360.527 2.135 20 30 FEEDLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)c1 ZINC000104719862 543139175 /nfs/dbraw/zinc/13/91/75/543139175.db2.gz LEVQACPWYHGKNP-UHFFFAOYSA-N 2 2 365.437 2.113 20 30 FEEDLP N#Cc1ccc2ncc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)n2c1 ZINC000123355533 543757116 /nfs/dbraw/zinc/75/71/16/543757116.db2.gz QYOHHBRHGWGWQH-UHFFFAOYSA-N 2 2 361.449 2.328 20 30 FEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000090003637 325349598 /nfs/dbraw/zinc/34/95/98/325349598.db2.gz FEXKRVCYBILRFT-QGZVFWFLSA-N 2 2 372.494 2.020 20 30 FEEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000090003637 325349599 /nfs/dbraw/zinc/34/95/99/325349599.db2.gz FEXKRVCYBILRFT-QGZVFWFLSA-N 2 2 372.494 2.020 20 30 FEEDLP C=CCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1OC ZINC000171919191 546230781 /nfs/dbraw/zinc/23/07/81/546230781.db2.gz XJSGELXNKFDBCU-UHFFFAOYSA-N 2 2 359.514 2.473 20 30 FEEDLP C=CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CCCCC1 ZINC000485010609 561310361 /nfs/dbraw/zinc/31/03/61/561310361.db2.gz UBPPGHABNVEYII-UHFFFAOYSA-N 2 2 351.535 2.282 20 30 FEEDLP C=CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)CC1CCCCC1 ZINC000485010609 561310362 /nfs/dbraw/zinc/31/03/62/561310362.db2.gz UBPPGHABNVEYII-UHFFFAOYSA-N 2 2 351.535 2.282 20 30 FEEDLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(C#N)cc2Br)CC1 ZINC000272481607 550452170 /nfs/dbraw/zinc/45/21/70/550452170.db2.gz GTPVGOPYHWTDCV-UHFFFAOYSA-N 2 2 360.259 2.376 20 30 FEEDLP NC(=[NH+]OCc1nnc2n1CCCC2)c1ccccc1C[NH+]1CCCCC1 ZINC000278270920 550767560 /nfs/dbraw/zinc/76/75/60/550767560.db2.gz OZIPOHOOSMPGNQ-UHFFFAOYSA-N 2 2 368.485 2.437 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048490 551173726 /nfs/dbraw/zinc/17/37/26/551173726.db2.gz LWOKYWQXINSTFN-UZLBHIALSA-N 2 2 357.502 2.453 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048490 551173728 /nfs/dbraw/zinc/17/37/28/551173728.db2.gz LWOKYWQXINSTFN-UZLBHIALSA-N 2 2 357.502 2.453 20 30 FEEDLP Cn1cc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1C#N ZINC000289681579 552361021 /nfs/dbraw/zinc/36/10/21/552361021.db2.gz NYSFPISFDORRET-OAQYLSRUSA-N 2 2 363.509 2.289 20 30 FEEDLP Cn1cc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1C#N ZINC000289681579 552361024 /nfs/dbraw/zinc/36/10/24/552361024.db2.gz NYSFPISFDORRET-OAQYLSRUSA-N 2 2 363.509 2.289 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292195782 552703354 /nfs/dbraw/zinc/70/33/54/552703354.db2.gz RTXQMHXCAMAZKG-UWJYYQICSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292195782 552703356 /nfs/dbraw/zinc/70/33/56/552703356.db2.gz RTXQMHXCAMAZKG-UWJYYQICSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292195782 552703358 /nfs/dbraw/zinc/70/33/58/552703358.db2.gz RTXQMHXCAMAZKG-UWJYYQICSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292195782 552703360 /nfs/dbraw/zinc/70/33/60/552703360.db2.gz RTXQMHXCAMAZKG-UWJYYQICSA-N 2 2 370.497 2.358 20 30 FEEDLP C[N@@H+]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328783436 553821827 /nfs/dbraw/zinc/82/18/27/553821827.db2.gz NNIUMTCBMHRHKY-KRWDZBQOSA-N 2 2 361.490 2.022 20 30 FEEDLP C[N@H+]1CCCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328783436 553821828 /nfs/dbraw/zinc/82/18/28/553821828.db2.gz NNIUMTCBMHRHKY-KRWDZBQOSA-N 2 2 361.490 2.022 20 30 FEEDLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@H]1C ZINC000329456819 553950601 /nfs/dbraw/zinc/95/06/01/553950601.db2.gz NBWCGIASEDJZIM-VYDXJSESSA-N 2 2 363.506 2.216 20 30 FEEDLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@H]1C ZINC000329456819 553950603 /nfs/dbraw/zinc/95/06/03/553950603.db2.gz NBWCGIASEDJZIM-VYDXJSESSA-N 2 2 363.506 2.216 20 30 FEEDLP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)CC[N@@H+]1C ZINC000329799745 554007857 /nfs/dbraw/zinc/00/78/57/554007857.db2.gz HSRRNLKMXYGQII-HUUCEWRRSA-N 2 2 351.520 2.048 20 30 FEEDLP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)CC[N@H+]1C ZINC000329799745 554007860 /nfs/dbraw/zinc/00/78/60/554007860.db2.gz HSRRNLKMXYGQII-HUUCEWRRSA-N 2 2 351.520 2.048 20 30 FEEDLP C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC[NH+]1C ZINC000329799745 554007865 /nfs/dbraw/zinc/00/78/65/554007865.db2.gz HSRRNLKMXYGQII-HUUCEWRRSA-N 2 2 351.520 2.048 20 30 FEEDLP C[NH+]1CCC(CNC(=O)NCc2ccc(O)cc2)([NH+]2CCCCC2)CC1 ZINC000329850875 554018903 /nfs/dbraw/zinc/01/89/03/554018903.db2.gz ZZKRITCFRHVKTI-UHFFFAOYSA-N 2 2 360.502 2.346 20 30 FEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000330281971 554099077 /nfs/dbraw/zinc/09/90/77/554099077.db2.gz AHVQWXBNUZUTEF-AEFFLSMTSA-N 2 2 361.490 2.018 20 30 FEEDLP CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360617761 554882191 /nfs/dbraw/zinc/88/21/91/554882191.db2.gz IJKRUCCUTXEQFS-FQEVSTJZSA-N 2 2 366.509 2.482 20 30 FEEDLP CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360617761 554882194 /nfs/dbraw/zinc/88/21/94/554882194.db2.gz IJKRUCCUTXEQFS-FQEVSTJZSA-N 2 2 366.509 2.482 20 30 FEEDLP C[N@@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000363322541 555078217 /nfs/dbraw/zinc/07/82/17/555078217.db2.gz IPFWDDAWEKJRIC-FQEVSTJZSA-N 2 2 367.497 2.096 20 30 FEEDLP C[N@H+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000363322541 555078219 /nfs/dbraw/zinc/07/82/19/555078219.db2.gz IPFWDDAWEKJRIC-FQEVSTJZSA-N 2 2 367.497 2.096 20 30 FEEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000363322541 555078221 /nfs/dbraw/zinc/07/82/21/555078221.db2.gz IPFWDDAWEKJRIC-FQEVSTJZSA-N 2 2 367.497 2.096 20 30 FEEDLP C[NH+](CC(=O)N(CCC#N)CCC#N)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000363322541 555078223 /nfs/dbraw/zinc/07/82/23/555078223.db2.gz IPFWDDAWEKJRIC-FQEVSTJZSA-N 2 2 367.497 2.096 20 30 FEEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000364187893 555265885 /nfs/dbraw/zinc/26/58/85/555265885.db2.gz KELCYEJWGJJONO-QGZVFWFLSA-N 2 2 370.497 2.154 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013879 555727500 /nfs/dbraw/zinc/72/75/00/555727500.db2.gz YNCDNSXYRWUETR-DOTOQJQBSA-N 2 2 362.905 2.269 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000372728952 557548418 /nfs/dbraw/zinc/54/84/18/557548418.db2.gz JZAGAZPNEVRTEM-ICSRJNTNSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000372728952 557548409 /nfs/dbraw/zinc/54/84/09/557548409.db2.gz JZAGAZPNEVRTEM-ICSRJNTNSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000372728952 557548412 /nfs/dbraw/zinc/54/84/12/557548412.db2.gz JZAGAZPNEVRTEM-ICSRJNTNSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000372728952 557548415 /nfs/dbraw/zinc/54/84/15/557548415.db2.gz JZAGAZPNEVRTEM-ICSRJNTNSA-N 2 2 352.482 2.123 20 30 FEEDLP CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000376282492 558151778 /nfs/dbraw/zinc/15/17/78/558151778.db2.gz AQAJBTVDRKOGPL-UXHICEINSA-N 2 2 354.498 2.487 20 30 FEEDLP CN(CCC#N)C(=O)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000376282492 558151779 /nfs/dbraw/zinc/15/17/79/558151779.db2.gz AQAJBTVDRKOGPL-UXHICEINSA-N 2 2 354.498 2.487 20 30 FEEDLP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376282492 558151781 /nfs/dbraw/zinc/15/17/81/558151781.db2.gz AQAJBTVDRKOGPL-UXHICEINSA-N 2 2 354.498 2.487 20 30 FEEDLP CN(CCC#N)C(=O)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000376282492 558151783 /nfs/dbraw/zinc/15/17/83/558151783.db2.gz AQAJBTVDRKOGPL-UXHICEINSA-N 2 2 354.498 2.487 20 30 FEEDLP C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000390655009 558611439 /nfs/dbraw/zinc/61/14/39/558611439.db2.gz FXKKYPKFKZYNIK-XLIONFOSSA-N 2 2 353.466 2.408 20 30 FEEDLP C[C@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000390655009 558611442 /nfs/dbraw/zinc/61/14/42/558611442.db2.gz FXKKYPKFKZYNIK-XLIONFOSSA-N 2 2 353.466 2.408 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748315 559908325 /nfs/dbraw/zinc/90/83/25/559908325.db2.gz RKZHOHSMQKIMLE-SAJDGTNDSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748315 559908326 /nfs/dbraw/zinc/90/83/26/559908326.db2.gz RKZHOHSMQKIMLE-SAJDGTNDSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748315 559908327 /nfs/dbraw/zinc/90/83/27/559908327.db2.gz RKZHOHSMQKIMLE-SAJDGTNDSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434748315 559908328 /nfs/dbraw/zinc/90/83/28/559908328.db2.gz RKZHOHSMQKIMLE-SAJDGTNDSA-N 2 2 371.529 2.449 20 30 FEEDLP C[C@@H]1C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)N1CC#N ZINC000602849391 568001021 /nfs/dbraw/zinc/00/10/21/568001021.db2.gz LAZCYVACKSJYSM-WOJBJXKFSA-N 2 2 355.530 2.117 20 30 FEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000602722081 568023150 /nfs/dbraw/zinc/02/31/50/568023150.db2.gz LZIXBFCYABXRNO-CTNGQTDRSA-N 2 2 370.541 2.491 20 30 FEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000602722081 568023152 /nfs/dbraw/zinc/02/31/52/568023152.db2.gz LZIXBFCYABXRNO-CTNGQTDRSA-N 2 2 370.541 2.491 20 30 FEEDLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000595902082 673336911 /nfs/dbraw/zinc/33/69/11/673336911.db2.gz GFURDXWWFJHKAU-MRXNPFEDSA-N 2 2 356.495 2.493 20 30 FEEDLP C=C(Br)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001026508430 680345199 /nfs/dbraw/zinc/34/51/99/680345199.db2.gz VSRBLVJGONCOOI-NWINJMCUSA-N 2 2 367.291 2.439 20 30 FEEDLP C=C(Br)C[NH2+]C1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001026508430 680345203 /nfs/dbraw/zinc/34/52/03/680345203.db2.gz VSRBLVJGONCOOI-NWINJMCUSA-N 2 2 367.291 2.439 20 30 FEEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001002858796 680511786 /nfs/dbraw/zinc/51/17/86/680511786.db2.gz HBCJCEWDTDBTHM-LSDHHAIUSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001002858796 680511790 /nfs/dbraw/zinc/51/17/90/680511790.db2.gz HBCJCEWDTDBTHM-LSDHHAIUSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000845601531 681140558 /nfs/dbraw/zinc/14/05/58/681140558.db2.gz QLSVQZJCLZZKTL-ZWKOTPCHSA-N 2 2 352.523 2.473 20 30 FEEDLP C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845601531 681140560 /nfs/dbraw/zinc/14/05/60/681140560.db2.gz QLSVQZJCLZZKTL-ZWKOTPCHSA-N 2 2 352.523 2.473 20 30 FEEDLP C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000901271352 690631540 /nfs/dbraw/zinc/63/15/40/690631540.db2.gz TXVZGOHXUUGKEM-ZWKOTPCHSA-N 2 2 365.905 2.336 20 30 FEEDLP C=C(CC[NH+](C)C)C(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000901271352 690631543 /nfs/dbraw/zinc/63/15/43/690631543.db2.gz TXVZGOHXUUGKEM-ZWKOTPCHSA-N 2 2 365.905 2.336 20 30 FEEDLP N#Cc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000903454339 690896274 /nfs/dbraw/zinc/89/62/74/690896274.db2.gz YMMUHEVYZMWLIY-UHFFFAOYSA-N 2 2 356.861 2.286 20 30 FEEDLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1cccc(C#N)c1 ZINC000026331449 539783906 /nfs/dbraw/zinc/78/39/06/539783906.db2.gz PKAJNIQRTKXIIV-UHFFFAOYSA-N 2 2 368.506 2.396 20 30 FEEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1cccc(C#N)c1 ZINC000026331449 539783910 /nfs/dbraw/zinc/78/39/10/539783910.db2.gz PKAJNIQRTKXIIV-UHFFFAOYSA-N 2 2 368.506 2.396 20 30 FEEDLP CC1CC[NH+](CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000046370672 540253803 /nfs/dbraw/zinc/25/38/03/540253803.db2.gz OMEIKLOQYATOJH-UHFFFAOYSA-N 2 2 369.513 2.117 20 30 FEEDLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000077039780 542342907 /nfs/dbraw/zinc/34/29/07/542342907.db2.gz FFEOGHXSEVEJNS-CALCHBBNSA-N 2 2 370.497 2.014 20 30 FEEDLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000077039780 542342912 /nfs/dbraw/zinc/34/29/12/542342912.db2.gz FFEOGHXSEVEJNS-CALCHBBNSA-N 2 2 370.497 2.014 20 30 FEEDLP Cc1cccn2c(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c[nH+]c12 ZINC000192244329 328308675 /nfs/dbraw/zinc/30/86/75/328308675.db2.gz WVWCVVUDNWDVDM-IBGZPJMESA-N 2 2 359.433 2.405 20 30 FEEDLP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1OCCCC#N ZINC000155503791 545534707 /nfs/dbraw/zinc/53/47/07/545534707.db2.gz XZXKNWWADUVMCJ-UHFFFAOYSA-N 2 2 361.486 2.266 20 30 FEEDLP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1OCCCC#N ZINC000155503791 545534708 /nfs/dbraw/zinc/53/47/08/545534708.db2.gz XZXKNWWADUVMCJ-UHFFFAOYSA-N 2 2 361.486 2.266 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)CC1 ZINC000171718553 546220100 /nfs/dbraw/zinc/22/01/00/546220100.db2.gz IMZFFINXGSZXJM-UHFFFAOYSA-N 2 2 355.398 2.161 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000177908622 546706020 /nfs/dbraw/zinc/70/60/20/546706020.db2.gz MDBAHTDSDBDSSC-AWEZNQCLSA-N 2 2 352.500 2.400 20 30 FEEDLP C[C@@H](C#N)Oc1ccccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000180014674 547039588 /nfs/dbraw/zinc/03/95/88/547039588.db2.gz PCDGJHDWELOOQS-HNNXBMFYSA-N 2 2 359.474 2.125 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249288118 549577028 /nfs/dbraw/zinc/57/70/28/549577028.db2.gz LYELFEBJBUJBBO-LPHOPBHVSA-N 2 2 358.486 2.223 20 30 FEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249288118 549577032 /nfs/dbraw/zinc/57/70/32/549577032.db2.gz LYELFEBJBUJBBO-LPHOPBHVSA-N 2 2 358.486 2.223 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)c2ccc(F)cc2)CC1 ZINC000299003537 553502214 /nfs/dbraw/zinc/50/22/14/553502214.db2.gz ACHFMYSPGZCTGE-SFHVURJKSA-N 2 2 354.429 2.110 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C#N)c(Br)cn2)CC1 ZINC000603313743 553762542 /nfs/dbraw/zinc/76/25/42/553762542.db2.gz XUPVJSVNMYRVGQ-UHFFFAOYSA-N 2 2 352.280 2.154 20 30 FEEDLP CN(C)[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1c[nH+]cn1C ZINC000329081783 553877093 /nfs/dbraw/zinc/87/70/93/553877093.db2.gz DFNDMAXBZWEETL-QGZVFWFLSA-N 2 2 363.506 2.014 20 30 FEEDLP Cn1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C2CC2)n1 ZINC000329594572 553973546 /nfs/dbraw/zinc/97/35/46/553973546.db2.gz BNDVALODBIEBRG-UHFFFAOYSA-N 2 2 360.506 2.182 20 30 FEEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](CC3CC3)CC2)CCO1 ZINC000330281972 554099218 /nfs/dbraw/zinc/09/92/18/554099218.db2.gz AHVQWXBNUZUTEF-WMZOPIPTSA-N 2 2 361.490 2.018 20 30 FEEDLP N#CCCn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccccc2)n1 ZINC000362719979 554983763 /nfs/dbraw/zinc/98/37/63/554983763.db2.gz QSEXEWYMBLTIPS-UXHICEINSA-N 2 2 365.481 2.417 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000363528967 555129171 /nfs/dbraw/zinc/12/91/71/555129171.db2.gz LYXGROMTNGYEJH-LJQANCHMSA-N 2 2 362.562 2.068 20 30 FEEDLP CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363870691 555203242 /nfs/dbraw/zinc/20/32/42/555203242.db2.gz WYDBHHZLGWEEMZ-FUHWJXTLSA-N 2 2 352.523 2.242 20 30 FEEDLP CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363870691 555203243 /nfs/dbraw/zinc/20/32/43/555203243.db2.gz WYDBHHZLGWEEMZ-FUHWJXTLSA-N 2 2 352.523 2.242 20 30 FEEDLP CSCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)N(C)C ZINC000367886866 556165493 /nfs/dbraw/zinc/16/54/93/556165493.db2.gz QFPWALIPTGEQLV-IBGZPJMESA-N 2 2 374.554 2.322 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000368589762 556355932 /nfs/dbraw/zinc/35/59/32/556355932.db2.gz JJFJXQKQOHNBEM-JOCHJYFZSA-N 2 2 368.525 2.170 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@]1(C#N)CCc2ccccc2C1 ZINC000368589762 556355934 /nfs/dbraw/zinc/35/59/34/556355934.db2.gz JJFJXQKQOHNBEM-JOCHJYFZSA-N 2 2 368.525 2.170 20 30 FEEDLP C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369365092 556581181 /nfs/dbraw/zinc/58/11/81/556581181.db2.gz XSZYWAGSTGYLTM-LJQANCHMSA-N 2 2 372.488 2.139 20 30 FEEDLP C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369365092 556581183 /nfs/dbraw/zinc/58/11/83/556581183.db2.gz XSZYWAGSTGYLTM-LJQANCHMSA-N 2 2 372.488 2.139 20 30 FEEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372671969 557534234 /nfs/dbraw/zinc/53/42/34/557534234.db2.gz FTOYBWKXHLVVQP-SFTDATJTSA-N 2 2 350.466 2.361 20 30 FEEDLP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@@H](C)O1 ZINC000519854843 562146645 /nfs/dbraw/zinc/14/66/45/562146645.db2.gz CFKZHQMGXAQIBK-HUUCEWRRSA-N 2 2 364.515 2.105 20 30 FEEDLP C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000521051566 562168441 /nfs/dbraw/zinc/16/84/41/562168441.db2.gz DVFUKWBEKWWZAQ-QGZVFWFLSA-N 2 2 351.454 2.440 20 30 FEEDLP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)n1cc[nH+]c1 ZINC000521051566 562168442 /nfs/dbraw/zinc/16/84/42/562168442.db2.gz DVFUKWBEKWWZAQ-QGZVFWFLSA-N 2 2 351.454 2.440 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377766672 558415382 /nfs/dbraw/zinc/41/53/82/558415382.db2.gz LEKQGMLWXYUITK-UXHICEINSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377766672 558415383 /nfs/dbraw/zinc/41/53/83/558415383.db2.gz LEKQGMLWXYUITK-UXHICEINSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377766672 558415386 /nfs/dbraw/zinc/41/53/86/558415386.db2.gz LEKQGMLWXYUITK-UXHICEINSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377766672 558415389 /nfs/dbraw/zinc/41/53/89/558415389.db2.gz LEKQGMLWXYUITK-UXHICEINSA-N 2 2 354.498 2.202 20 30 FEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000389825717 558610051 /nfs/dbraw/zinc/61/00/51/558610051.db2.gz QHDYRZRWWCRYMP-JRGCBEDISA-N 2 2 365.477 2.408 20 30 FEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000389825717 558610053 /nfs/dbraw/zinc/61/00/53/558610053.db2.gz QHDYRZRWWCRYMP-JRGCBEDISA-N 2 2 365.477 2.408 20 30 FEEDLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)n1C ZINC000414332753 559156893 /nfs/dbraw/zinc/15/68/93/559156893.db2.gz ACUPCILXHRRVKX-OAHLLOKOSA-N 2 2 356.449 2.255 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000418353208 559398641 /nfs/dbraw/zinc/39/86/41/559398641.db2.gz CTPKKJWJBPXGLY-FQEVSTJZSA-N 2 2 369.513 2.293 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424178703 559656880 /nfs/dbraw/zinc/65/68/80/559656880.db2.gz XETFZSKUXOLPEK-PMPSAXMXSA-N 2 2 352.841 2.362 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424178703 559656881 /nfs/dbraw/zinc/65/68/81/559656881.db2.gz XETFZSKUXOLPEK-PMPSAXMXSA-N 2 2 352.841 2.362 20 30 FEEDLP CN(C)c1nc(N2CC[NH+](CC#Cc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000426460206 559734740 /nfs/dbraw/zinc/73/47/40/559734740.db2.gz MTIRINWPQVCEGQ-UHFFFAOYSA-N 2 2 355.873 2.370 20 30 FEEDLP CC[C@H](C#N)Sc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000436058061 559934497 /nfs/dbraw/zinc/93/44/97/559934497.db2.gz JKTQVTPCOLXBAE-HUUCEWRRSA-N 2 2 366.535 2.017 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441074016 560022861 /nfs/dbraw/zinc/02/28/61/560022861.db2.gz YZNKWVRSCUQJGC-IBGZPJMESA-N 2 2 362.562 2.066 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533867 560312879 /nfs/dbraw/zinc/31/28/79/560312879.db2.gz XBBQMDIEOLDNPP-OAQYLSRUSA-N 2 2 371.500 2.443 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533867 560312880 /nfs/dbraw/zinc/31/28/80/560312880.db2.gz XBBQMDIEOLDNPP-OAQYLSRUSA-N 2 2 371.500 2.443 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533867 560312881 /nfs/dbraw/zinc/31/28/81/560312881.db2.gz XBBQMDIEOLDNPP-OAQYLSRUSA-N 2 2 371.500 2.443 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533867 560312882 /nfs/dbraw/zinc/31/28/82/560312882.db2.gz XBBQMDIEOLDNPP-OAQYLSRUSA-N 2 2 371.500 2.443 20 30 FEEDLP N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534861741 562543990 /nfs/dbraw/zinc/54/39/90/562543990.db2.gz VPYVYGNFGOCEFD-GOSISDBHSA-N 2 2 352.438 2.269 20 30 FEEDLP C=C(Br)CNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817776078 675176463 /nfs/dbraw/zinc/17/64/63/675176463.db2.gz YMMVOUAVGIHZTC-UHFFFAOYSA-N 2 2 373.339 2.097 20 30 FEEDLP C=C(Br)CNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000817776078 675176466 /nfs/dbraw/zinc/17/64/66/675176466.db2.gz YMMVOUAVGIHZTC-UHFFFAOYSA-N 2 2 373.339 2.097 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccccc3SCC#N)C2)CC1 ZINC000732782321 673381908 /nfs/dbraw/zinc/38/19/08/673381908.db2.gz XEJNLYYLSWFUJR-HNNXBMFYSA-N 2 2 358.511 2.201 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccccc3SCC#N)C2)CC1 ZINC000732782321 673381910 /nfs/dbraw/zinc/38/19/10/673381910.db2.gz XEJNLYYLSWFUJR-HNNXBMFYSA-N 2 2 358.511 2.201 20 30 FEEDLP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001045946896 680642101 /nfs/dbraw/zinc/64/21/01/680642101.db2.gz DMPXBXLDXOHHNT-LMMKCTJWSA-N 2 2 369.937 2.163 20 30 FEEDLP C=C(Cl)C[NH+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001045946896 680642102 /nfs/dbraw/zinc/64/21/02/680642102.db2.gz DMPXBXLDXOHHNT-LMMKCTJWSA-N 2 2 369.937 2.163 20 30 FEEDLP C=C(Cl)C[N@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001045946896 680642103 /nfs/dbraw/zinc/64/21/03/680642103.db2.gz DMPXBXLDXOHHNT-LMMKCTJWSA-N 2 2 369.937 2.163 20 30 FEEDLP C=C(Cl)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1)C2 ZINC001045946896 680642104 /nfs/dbraw/zinc/64/21/04/680642104.db2.gz DMPXBXLDXOHHNT-LMMKCTJWSA-N 2 2 369.937 2.163 20 30 FEEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164789011 721422375 /nfs/dbraw/zinc/42/23/75/721422375.db2.gz UFCJGNZXABROAG-ZIAGYGMSSA-N 2 2 350.451 2.459 20 30 FEEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998504 210204898 /nfs/dbraw/zinc/20/48/98/210204898.db2.gz XDQWURAMHSJKFN-WOJBJXKFSA-N 2 2 365.481 2.302 20 30 FEEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998504 210204903 /nfs/dbraw/zinc/20/49/03/210204903.db2.gz XDQWURAMHSJKFN-WOJBJXKFSA-N 2 2 365.481 2.302 20 30 FEEDLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998502 210204643 /nfs/dbraw/zinc/20/46/43/210204643.db2.gz XDQWURAMHSJKFN-UXHICEINSA-N 2 2 365.481 2.302 20 30 FEEDLP Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998502 210204645 /nfs/dbraw/zinc/20/46/45/210204645.db2.gz XDQWURAMHSJKFN-UXHICEINSA-N 2 2 365.481 2.302 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@H](c2[nH+]ccn2C)c2cccc(F)c2)CC1 ZINC000057154062 540773387 /nfs/dbraw/zinc/77/33/87/540773387.db2.gz RRLWWAXUIUQFDU-SFHVURJKSA-N 2 2 354.429 2.110 20 30 FEEDLP Cc1noc(C)c1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000068776660 541626417 /nfs/dbraw/zinc/62/64/17/541626417.db2.gz CWQAICZODXROJL-UHFFFAOYSA-N 2 2 358.442 2.085 20 30 FEEDLP C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092217526 542848934 /nfs/dbraw/zinc/84/89/34/542848934.db2.gz MPLMLZSYMSRQCO-UHFFFAOYSA-N 2 2 367.497 2.425 20 30 FEEDLP C=CC[N@H+](Cc1ccc(OC)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092217526 542848938 /nfs/dbraw/zinc/84/89/38/542848938.db2.gz MPLMLZSYMSRQCO-UHFFFAOYSA-N 2 2 367.497 2.425 20 30 FEEDLP C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266962969 329277507 /nfs/dbraw/zinc/27/75/07/329277507.db2.gz XDBVWYPQOXNCOL-ZDUSSCGKSA-N 2 2 372.860 2.094 20 30 FEEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C#N)c(F)c1 ZINC000271908158 329736458 /nfs/dbraw/zinc/73/64/58/329736458.db2.gz CUFXYWRJZSNXRT-MRXNPFEDSA-N 2 2 368.460 2.350 20 30 FEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000155878568 545579217 /nfs/dbraw/zinc/57/92/17/545579217.db2.gz WHINTVVEHJILFB-LJQANCHMSA-N 2 2 363.465 2.052 20 30 FEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCn4cc[nH+]c4C3)CC2)cc1 ZINC000155878568 545579220 /nfs/dbraw/zinc/57/92/20/545579220.db2.gz WHINTVVEHJILFB-LJQANCHMSA-N 2 2 363.465 2.052 20 30 FEEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000164047746 546148648 /nfs/dbraw/zinc/14/86/48/546148648.db2.gz WVTDKGKTPRTARD-IBGZPJMESA-N 2 2 366.465 2.018 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000173579618 546283568 /nfs/dbraw/zinc/28/35/68/546283568.db2.gz INKZJZZOSVRRKT-IBGZPJMESA-N 2 2 351.535 2.280 20 30 FEEDLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000177484664 546628703 /nfs/dbraw/zinc/62/87/03/546628703.db2.gz IVNBNXCRNQOPHG-MRXNPFEDSA-N 2 2 358.486 2.364 20 30 FEEDLP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180200678 547066386 /nfs/dbraw/zinc/06/63/86/547066386.db2.gz HUFARIWXRRQARN-SFHVURJKSA-N 2 2 365.481 2.113 20 30 FEEDLP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180200678 547066389 /nfs/dbraw/zinc/06/63/89/547066389.db2.gz HUFARIWXRRQARN-SFHVURJKSA-N 2 2 365.481 2.113 20 30 FEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)CC1 ZINC000236661534 548771434 /nfs/dbraw/zinc/77/14/34/548771434.db2.gz DVPGZDLEWDCLIB-UHFFFAOYSA-N 2 2 357.498 2.428 20 30 FEEDLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343544 549110062 /nfs/dbraw/zinc/11/00/62/549110062.db2.gz JINXPQICPKMGQB-MOPGFXCFSA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343544 549110064 /nfs/dbraw/zinc/11/00/64/549110064.db2.gz JINXPQICPKMGQB-MOPGFXCFSA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343544 549110066 /nfs/dbraw/zinc/11/00/66/549110066.db2.gz JINXPQICPKMGQB-MOPGFXCFSA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343544 549110067 /nfs/dbraw/zinc/11/00/67/549110067.db2.gz JINXPQICPKMGQB-MOPGFXCFSA-N 2 2 359.518 2.229 20 30 FEEDLP CC[N@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488703362 561394836 /nfs/dbraw/zinc/39/48/36/561394836.db2.gz VGMIDFKJPYZXJN-QZTJIDSGSA-N 2 2 372.513 2.005 20 30 FEEDLP CC[N@@H+](C[C@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488703362 561394837 /nfs/dbraw/zinc/39/48/37/561394837.db2.gz VGMIDFKJPYZXJN-QZTJIDSGSA-N 2 2 372.513 2.005 20 30 FEEDLP Cc1cc(Br)cn2cc(CC[NH+]=C(N(C)C)N(C)C)[nH+]c12 ZINC000262352535 549813744 /nfs/dbraw/zinc/81/37/44/549813744.db2.gz GHRDGHXUUQJCGM-UHFFFAOYSA-N 2 2 352.280 2.427 20 30 FEEDLP C[NH+]=C(NCCn1c(C)[nH+]c2ccccc21)NCc1c(C)nn(C)c1C ZINC000262843363 549855021 /nfs/dbraw/zinc/85/50/21/549855021.db2.gz VDGSXOZLZDKMBN-UHFFFAOYSA-N 2 2 353.474 2.060 20 30 FEEDLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619718 550461318 /nfs/dbraw/zinc/46/13/18/550461318.db2.gz UORPPRUWURCOJX-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619718 550461320 /nfs/dbraw/zinc/46/13/20/550461320.db2.gz UORPPRUWURCOJX-PKOBYXMFSA-N 2 2 354.498 2.391 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280613791 551013558 /nfs/dbraw/zinc/01/35/58/551013558.db2.gz XVTIOAUXHRBCFN-RLLQIKCJSA-N 2 2 354.498 2.058 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280613791 551013559 /nfs/dbraw/zinc/01/35/59/551013559.db2.gz XVTIOAUXHRBCFN-RLLQIKCJSA-N 2 2 354.498 2.058 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280613791 551013561 /nfs/dbraw/zinc/01/35/61/551013561.db2.gz XVTIOAUXHRBCFN-RLLQIKCJSA-N 2 2 354.498 2.058 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280613791 551013563 /nfs/dbraw/zinc/01/35/63/551013563.db2.gz XVTIOAUXHRBCFN-RLLQIKCJSA-N 2 2 354.498 2.058 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048485 551173625 /nfs/dbraw/zinc/17/36/25/551173625.db2.gz LWOKYWQXINSTFN-OXJNMPFZSA-N 2 2 357.502 2.453 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048485 551173626 /nfs/dbraw/zinc/17/36/26/551173626.db2.gz LWOKYWQXINSTFN-OXJNMPFZSA-N 2 2 357.502 2.453 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000298732662 553465702 /nfs/dbraw/zinc/46/57/02/553465702.db2.gz LXLTXSIMAPPNRE-PMACEKPBSA-N 2 2 367.497 2.012 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000298732662 553465703 /nfs/dbraw/zinc/46/57/03/553465703.db2.gz LXLTXSIMAPPNRE-PMACEKPBSA-N 2 2 367.497 2.012 20 30 FEEDLP Cc1nc(N2CCN(C(=O)NC[C@H]3CCCC[N@H+]3CC(C)C)CC2)cc[nH+]1 ZINC000329442257 553947898 /nfs/dbraw/zinc/94/78/98/553947898.db2.gz BQHXIDLTXDOBFV-GOSISDBHSA-N 2 2 374.533 2.332 20 30 FEEDLP Cc1nc(N2CCN(C(=O)NC[C@H]3CCCC[N@@H+]3CC(C)C)CC2)cc[nH+]1 ZINC000329442257 553947900 /nfs/dbraw/zinc/94/79/00/553947900.db2.gz BQHXIDLTXDOBFV-GOSISDBHSA-N 2 2 374.533 2.332 20 30 FEEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000510903762 561850298 /nfs/dbraw/zinc/85/02/98/561850298.db2.gz UBEYFAHKLASITM-UHFFFAOYSA-N 2 2 372.488 2.403 20 30 FEEDLP CCC[NH+]1CCC([NH+]2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000362701623 554981446 /nfs/dbraw/zinc/98/14/46/554981446.db2.gz IGDNHYMUENSCFF-UHFFFAOYSA-N 2 2 353.514 2.438 20 30 FEEDLP C=CCN(C(=O)NCCn1cc[nH+]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368925032 556449811 /nfs/dbraw/zinc/44/98/11/556449811.db2.gz PPYQCUZJPVHCPK-LJQANCHMSA-N 2 2 353.470 2.355 20 30 FEEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)[nH+]1 ZINC000369900654 556725112 /nfs/dbraw/zinc/72/51/12/556725112.db2.gz PNOIOLYIZZPGKE-LJQANCHMSA-N 2 2 363.465 2.454 20 30 FEEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)[nH+]1 ZINC000369900654 556725114 /nfs/dbraw/zinc/72/51/14/556725114.db2.gz PNOIOLYIZZPGKE-LJQANCHMSA-N 2 2 363.465 2.454 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372478311 557481027 /nfs/dbraw/zinc/48/10/27/557481027.db2.gz QBXIMHMMHYDTLH-FCGDIQPGSA-N 2 2 351.535 2.279 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372478311 557481030 /nfs/dbraw/zinc/48/10/30/557481030.db2.gz QBXIMHMMHYDTLH-FCGDIQPGSA-N 2 2 351.535 2.279 20 30 FEEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000373917255 557786544 /nfs/dbraw/zinc/78/65/44/557786544.db2.gz JKDNKYNKKUVUAY-RTBURBONSA-N 2 2 363.546 2.424 20 30 FEEDLP C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378365524 558540497 /nfs/dbraw/zinc/54/04/97/558540497.db2.gz KRDYTSWYHPROHW-CQSZACIVSA-N 2 2 359.449 2.330 20 30 FEEDLP C[C@@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378365524 558540499 /nfs/dbraw/zinc/54/04/99/558540499.db2.gz KRDYTSWYHPROHW-CQSZACIVSA-N 2 2 359.449 2.330 20 30 FEEDLP C=CCn1cc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)nn1 ZINC000424173425 559656782 /nfs/dbraw/zinc/65/67/82/559656782.db2.gz PVPZXAQFIBPCHY-UHFFFAOYSA-N 2 2 354.502 2.284 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269891 560027602 /nfs/dbraw/zinc/02/76/02/560027602.db2.gz SQBWBTIWZGGXFZ-KZNAEPCWSA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269891 560027603 /nfs/dbraw/zinc/02/76/03/560027603.db2.gz SQBWBTIWZGGXFZ-KZNAEPCWSA-N 2 2 367.453 2.292 20 30 FEEDLP C=CCOc1ccc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000450367699 560260257 /nfs/dbraw/zinc/26/02/57/560260257.db2.gz YZHWYUNJUNRCOV-GOSISDBHSA-N 2 2 371.525 2.421 20 30 FEEDLP C=CCOc1ccc(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000450367699 560260258 /nfs/dbraw/zinc/26/02/58/560260258.db2.gz YZHWYUNJUNRCOV-GOSISDBHSA-N 2 2 371.525 2.421 20 30 FEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCC(C)([NH+]2CCOCC2)CC1 ZINC000528726451 562344126 /nfs/dbraw/zinc/34/41/26/562344126.db2.gz BGTSTNPCEXOIGQ-UHFFFAOYSA-N 2 2 359.470 2.132 20 30 FEEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569595106 568409044 /nfs/dbraw/zinc/40/90/44/568409044.db2.gz FONNMWKIGBBNBP-GOSISDBHSA-N 2 2 363.527 2.290 20 30 FEEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569595106 568409045 /nfs/dbraw/zinc/40/90/45/568409045.db2.gz FONNMWKIGBBNBP-GOSISDBHSA-N 2 2 363.527 2.290 20 30 FEEDLP C[NH+]1CCC(CNc2nc(C#N)c(Cl)s2)([NH+]2CCCCC2)CC1 ZINC000596138405 673362391 /nfs/dbraw/zinc/36/23/91/673362391.db2.gz JRNJJDROUWSLQA-UHFFFAOYSA-N 2 2 353.923 3.030 20 30 FEEDLP C=C(Cl)C[N@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981185216 680219184 /nfs/dbraw/zinc/21/91/84/680219184.db2.gz TUJWBSXWLFFPHD-MSOLQXFVSA-N 2 2 369.937 2.020 20 30 FEEDLP C=C(Cl)C[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000981185216 680219186 /nfs/dbraw/zinc/21/91/86/680219186.db2.gz TUJWBSXWLFFPHD-MSOLQXFVSA-N 2 2 369.937 2.020 20 30 FEEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047028742 540285590 /nfs/dbraw/zinc/28/55/90/540285590.db2.gz KHXMSDZUKSCAEJ-KRWDZBQOSA-N 2 2 366.469 2.061 20 30 FEEDLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047028742 540285591 /nfs/dbraw/zinc/28/55/91/540285591.db2.gz KHXMSDZUKSCAEJ-KRWDZBQOSA-N 2 2 366.469 2.061 20 30 FEEDLP Cc1ncc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000068776604 541626320 /nfs/dbraw/zinc/62/63/20/541626320.db2.gz XDKRPCRNAWPUOM-UHFFFAOYSA-N 2 2 360.483 2.245 20 30 FEEDLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000114477983 543519412 /nfs/dbraw/zinc/51/94/12/543519412.db2.gz QMIPRZBMRWKNJV-INIZCTEOSA-N 2 2 367.415 2.057 20 30 FEEDLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000114477983 543519415 /nfs/dbraw/zinc/51/94/15/543519415.db2.gz QMIPRZBMRWKNJV-INIZCTEOSA-N 2 2 367.415 2.057 20 30 FEEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131338526 544186626 /nfs/dbraw/zinc/18/66/26/544186626.db2.gz ITHQATDYGDGDHL-LJQANCHMSA-N 2 2 354.498 2.402 20 30 FEEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131338526 544186628 /nfs/dbraw/zinc/18/66/28/544186628.db2.gz ITHQATDYGDGDHL-LJQANCHMSA-N 2 2 354.498 2.402 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000171710084 546219578 /nfs/dbraw/zinc/21/95/78/546219578.db2.gz DRHFTASYSBLBKD-UHFFFAOYSA-N 2 2 353.470 2.381 20 30 FEEDLP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000483193429 561269896 /nfs/dbraw/zinc/26/98/96/561269896.db2.gz IHTPFPBZGLGEEI-HNNXBMFYSA-N 2 2 365.437 2.111 20 30 FEEDLP CC1(C)CN(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCO1 ZINC000181701708 547364018 /nfs/dbraw/zinc/36/40/18/547364018.db2.gz ZBWGHGALPAAVPC-UHFFFAOYSA-N 2 2 356.514 2.223 20 30 FEEDLP C=CC[N@@H+](CCOC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000191121748 548340418 /nfs/dbraw/zinc/34/04/18/548340418.db2.gz KLLUXZLTCCCYID-UHFFFAOYSA-N 2 2 363.527 2.308 20 30 FEEDLP C=CC[N@H+](CCOC)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000191121748 548340422 /nfs/dbraw/zinc/34/04/22/548340422.db2.gz KLLUXZLTCCCYID-UHFFFAOYSA-N 2 2 363.527 2.308 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC#Cc3ccccc3)CC2)CC1 ZINC000192016312 548356216 /nfs/dbraw/zinc/35/62/16/548356216.db2.gz KCVFYDOTMXOBFT-UHFFFAOYSA-N 2 2 353.510 2.304 20 30 FEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245820539 548998206 /nfs/dbraw/zinc/99/82/06/548998206.db2.gz DVIAISONRRUIDR-QFBILLFUSA-N 2 2 352.438 2.461 20 30 FEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245820539 548998211 /nfs/dbraw/zinc/99/82/11/548998211.db2.gz DVIAISONRRUIDR-QFBILLFUSA-N 2 2 352.438 2.461 20 30 FEEDLP CC[N@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488703361 561394821 /nfs/dbraw/zinc/39/48/21/561394821.db2.gz VGMIDFKJPYZXJN-MSOLQXFVSA-N 2 2 372.513 2.005 20 30 FEEDLP CC[N@@H+](C[C@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488703361 561394822 /nfs/dbraw/zinc/39/48/22/561394822.db2.gz VGMIDFKJPYZXJN-MSOLQXFVSA-N 2 2 372.513 2.005 20 30 FEEDLP C=CCOc1cccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261781351 549755076 /nfs/dbraw/zinc/75/50/76/549755076.db2.gz QCJPJUOGRUIOBM-UHFFFAOYSA-N 2 2 353.470 2.326 20 30 FEEDLP CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262019202 549780768 /nfs/dbraw/zinc/78/07/68/549780768.db2.gz YKXNLEIFIGIBEE-FUHWJXTLSA-N 2 2 369.517 2.465 20 30 FEEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000267423017 550031022 /nfs/dbraw/zinc/03/10/22/550031022.db2.gz WVIKHBOFICZECM-UHFFFAOYSA-N 2 2 356.514 2.221 20 30 FEEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000267423017 550031023 /nfs/dbraw/zinc/03/10/23/550031023.db2.gz WVIKHBOFICZECM-UHFFFAOYSA-N 2 2 356.514 2.221 20 30 FEEDLP CNC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271820526 550404240 /nfs/dbraw/zinc/40/42/40/550404240.db2.gz CDQKZQSXINEZTG-UHFFFAOYSA-N 2 2 354.498 2.417 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000282504847 551238528 /nfs/dbraw/zinc/23/85/28/551238528.db2.gz ZEEIEAQHYSJAQL-GOSISDBHSA-N 2 2 354.498 2.271 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc4c3OCO4)CC2)CC1 ZINC000328603014 553795457 /nfs/dbraw/zinc/79/54/57/553795457.db2.gz HKJGCPXHCQQCKI-UHFFFAOYSA-N 2 2 360.458 2.300 20 30 FEEDLP C[NH+]1CCC(CNC(=O)NC[C@H]2CCCCO2)([NH+]2CCCCC2)CC1 ZINC000329810185 554009705 /nfs/dbraw/zinc/00/97/05/554009705.db2.gz MLJQJJZNFZASER-QGZVFWFLSA-N 2 2 352.523 2.009 20 30 FEEDLP CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329936993 554035452 /nfs/dbraw/zinc/03/54/52/554035452.db2.gz DLFSATZDWQDNAD-DNVCBOLYSA-N 2 2 364.534 2.149 20 30 FEEDLP CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000329936993 554035453 /nfs/dbraw/zinc/03/54/53/554035453.db2.gz DLFSATZDWQDNAD-DNVCBOLYSA-N 2 2 364.534 2.149 20 30 FEEDLP CCN1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329973675 554042283 /nfs/dbraw/zinc/04/22/83/554042283.db2.gz WXYDNOWLXXWRAM-SFHVURJKSA-N 2 2 374.533 2.409 20 30 FEEDLP CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2c(C)cc(C)[nH+]c2C)CC1 ZINC000331329994 554247846 /nfs/dbraw/zinc/24/78/46/554247846.db2.gz OGKYPLXNRZRQOH-UHFFFAOYSA-N 2 2 361.490 2.323 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853154 554892526 /nfs/dbraw/zinc/89/25/26/554892526.db2.gz XMHAXDUWPQXPPU-QUCCMNQESA-N 2 2 369.513 2.499 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853154 554892529 /nfs/dbraw/zinc/89/25/29/554892529.db2.gz XMHAXDUWPQXPPU-QUCCMNQESA-N 2 2 369.513 2.499 20 30 FEEDLP C[C@@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703290 554981813 /nfs/dbraw/zinc/98/18/13/554981813.db2.gz PYRIJDXNMAHCTJ-NQIIRXRSSA-N 2 2 356.514 2.285 20 30 FEEDLP C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703290 554981815 /nfs/dbraw/zinc/98/18/15/554981815.db2.gz PYRIJDXNMAHCTJ-NQIIRXRSSA-N 2 2 356.514 2.285 20 30 FEEDLP C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703288 554981960 /nfs/dbraw/zinc/98/19/60/554981960.db2.gz PYRIJDXNMAHCTJ-GHTZIAJQSA-N 2 2 356.514 2.285 20 30 FEEDLP C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000362703288 554981961 /nfs/dbraw/zinc/98/19/61/554981961.db2.gz PYRIJDXNMAHCTJ-GHTZIAJQSA-N 2 2 356.514 2.285 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000368606741 556359800 /nfs/dbraw/zinc/35/98/00/556359800.db2.gz FKSAQPGCUPAPNW-NRFANRHFSA-N 2 2 356.514 2.473 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000368606741 556359803 /nfs/dbraw/zinc/35/98/03/556359803.db2.gz FKSAQPGCUPAPNW-NRFANRHFSA-N 2 2 356.514 2.473 20 30 FEEDLP COc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OCCCC#N ZINC000369037119 556484647 /nfs/dbraw/zinc/48/46/47/556484647.db2.gz VEFFQLLLJRLZJY-MSOLQXFVSA-N 2 2 359.470 2.331 20 30 FEEDLP COc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OCCCC#N ZINC000369037119 556484648 /nfs/dbraw/zinc/48/46/48/556484648.db2.gz VEFFQLLLJRLZJY-MSOLQXFVSA-N 2 2 359.470 2.331 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371196362 557104196 /nfs/dbraw/zinc/10/41/96/557104196.db2.gz RYCRRRQRIUGHCX-HXUWFJFHSA-N 2 2 354.498 2.372 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371196362 557104200 /nfs/dbraw/zinc/10/42/00/557104200.db2.gz RYCRRRQRIUGHCX-HXUWFJFHSA-N 2 2 354.498 2.372 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000371622009 557242035 /nfs/dbraw/zinc/24/20/35/557242035.db2.gz RSAVTIQEYNTPGB-IBGZPJMESA-N 2 2 364.578 2.292 20 30 FEEDLP CCC[NH+]1CCC([NH+]2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000372944318 557594035 /nfs/dbraw/zinc/59/40/35/557594035.db2.gz APHVRTPHQVCLKV-UHFFFAOYSA-N 2 2 357.458 2.463 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CN4CCCC[C@@H]4CO3)CC2)cc1 ZINC000376178696 558137142 /nfs/dbraw/zinc/13/71/42/558137142.db2.gz SVWJWZUPAIKIKP-FGZHOGPDSA-N 2 2 368.525 2.366 20 30 FEEDLP C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378366885 558540654 /nfs/dbraw/zinc/54/06/54/558540654.db2.gz PSPVDHJCIMCGDH-OZSKJFCKSA-N 2 2 352.482 2.198 20 30 FEEDLP C[C@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378366885 558540656 /nfs/dbraw/zinc/54/06/56/558540656.db2.gz PSPVDHJCIMCGDH-OZSKJFCKSA-N 2 2 352.482 2.198 20 30 FEEDLP C[NH+](C)C1CCC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000420892494 559509687 /nfs/dbraw/zinc/50/96/87/559509687.db2.gz CJIRVKGAQRFVKZ-UHFFFAOYSA-N 2 2 369.513 2.258 20 30 FEEDLP C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000425368089 559698361 /nfs/dbraw/zinc/69/83/61/559698361.db2.gz VQWULCVHXJUANA-INIZCTEOSA-N 2 2 350.470 2.293 20 30 FEEDLP C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000425368089 559698362 /nfs/dbraw/zinc/69/83/62/559698362.db2.gz VQWULCVHXJUANA-INIZCTEOSA-N 2 2 350.470 2.293 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc(C#N)cs3)C2)CC1 ZINC000449508296 560232133 /nfs/dbraw/zinc/23/21/33/560232133.db2.gz UYFJMFSAUPIJOW-QGZVFWFLSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000449508296 560232134 /nfs/dbraw/zinc/23/21/34/560232134.db2.gz UYFJMFSAUPIJOW-QGZVFWFLSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000449508296 560232135 /nfs/dbraw/zinc/23/21/35/560232135.db2.gz UYFJMFSAUPIJOW-QGZVFWFLSA-N 2 2 360.527 2.386 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459476621 560688605 /nfs/dbraw/zinc/68/86/05/560688605.db2.gz GFTNKRFCHIQQOF-QGZVFWFLSA-N 2 2 365.481 2.365 20 30 FEEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528388266 562326407 /nfs/dbraw/zinc/32/64/07/562326407.db2.gz OSFCUZWFZVOWSP-SFHVURJKSA-N 2 2 365.477 2.236 20 30 FEEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000528388266 562326408 /nfs/dbraw/zinc/32/64/08/562326408.db2.gz OSFCUZWFZVOWSP-SFHVURJKSA-N 2 2 365.477 2.236 20 30 FEEDLP C#CCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC1 ZINC000823844567 608377106 /nfs/dbraw/zinc/37/71/06/608377106.db2.gz BGQIHLRKDWUVJU-UHFFFAOYSA-N 2 2 361.453 2.177 20 30 FEEDLP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC001034664906 680437549 /nfs/dbraw/zinc/43/75/49/680437549.db2.gz VSRBLVJGONCOOI-AAVRWANBSA-N 2 2 367.291 2.439 20 30 FEEDLP C=C(Br)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC001034664906 680437552 /nfs/dbraw/zinc/43/75/52/680437552.db2.gz VSRBLVJGONCOOI-AAVRWANBSA-N 2 2 367.291 2.439 20 30 FEEDLP C#CC[N@H+](C)CCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000836491322 680477009 /nfs/dbraw/zinc/47/70/09/680477009.db2.gz QINRIWJQRJJXKX-UHFFFAOYSA-N 2 2 359.861 2.280 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000836491322 680477011 /nfs/dbraw/zinc/47/70/11/680477011.db2.gz QINRIWJQRJJXKX-UHFFFAOYSA-N 2 2 359.861 2.280 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276552 683563224 /nfs/dbraw/zinc/56/32/24/683563224.db2.gz UCLKZWOFXHNNIJ-RDJZCZTQSA-N 2 2 353.507 2.251 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)cc1 ZINC000081112039 542633315 /nfs/dbraw/zinc/63/33/15/542633315.db2.gz LHADWXJYUXRXHN-PMACEKPBSA-N 2 2 352.482 2.077 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cc1 ZINC000081112039 542633319 /nfs/dbraw/zinc/63/33/19/542633319.db2.gz LHADWXJYUXRXHN-PMACEKPBSA-N 2 2 352.482 2.077 20 30 FEEDLP Cn1cc[nH+]c1CC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000128635687 544063977 /nfs/dbraw/zinc/06/39/77/544063977.db2.gz JKWKAUFVJCRFQI-UHFFFAOYSA-N 2 2 372.494 2.020 20 30 FEEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000075937857 324910830 /nfs/dbraw/zinc/91/08/30/324910830.db2.gz DWDAEJXIJXFBNC-HNNXBMFYSA-N 2 2 374.485 2.139 20 30 FEEDLP COc1ccc(C#N)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000266503944 329230662 /nfs/dbraw/zinc/23/06/62/329230662.db2.gz ZPVKEPAGNIJDJE-UHFFFAOYSA-N 2 2 359.474 2.057 20 30 FEEDLP COc1ccc(C#N)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000266503944 329230664 /nfs/dbraw/zinc/23/06/64/329230664.db2.gz ZPVKEPAGNIJDJE-UHFFFAOYSA-N 2 2 359.474 2.057 20 30 FEEDLP Cn1cc[nH+]c1N1CC[NH+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000266921418 329272867 /nfs/dbraw/zinc/27/28/67/329272867.db2.gz MAYVKTCJUGKZKM-UHFFFAOYSA-N 2 2 372.860 2.096 20 30 FEEDLP N#Cc1ccc(NCCCn2cc[nH+]c2)nc1NCCCn1cc[nH+]c1 ZINC000276429226 330150812 /nfs/dbraw/zinc/15/08/12/330150812.db2.gz JJEAAPIMXPPAFJ-UHFFFAOYSA-N 2 2 350.430 2.351 20 30 FEEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000155533381 545539613 /nfs/dbraw/zinc/53/96/13/545539613.db2.gz LBIVRUZHLAGVNF-MRXNPFEDSA-N 2 2 359.437 2.245 20 30 FEEDLP C[C@@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000155533381 545539619 /nfs/dbraw/zinc/53/96/19/545539619.db2.gz LBIVRUZHLAGVNF-MRXNPFEDSA-N 2 2 359.437 2.245 20 30 FEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000177177334 546562425 /nfs/dbraw/zinc/56/24/25/546562425.db2.gz MFVNKNKIAIEXLZ-HXUWFJFHSA-N 2 2 371.481 2.349 20 30 FEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000480948464 561220940 /nfs/dbraw/zinc/22/09/40/561220940.db2.gz AXNCVMDIWXXOPJ-VQTJNVASSA-N 2 2 363.546 2.445 20 30 FEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000480948464 561220941 /nfs/dbraw/zinc/22/09/41/561220941.db2.gz AXNCVMDIWXXOPJ-VQTJNVASSA-N 2 2 363.546 2.445 20 30 FEEDLP CN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178928901 546875015 /nfs/dbraw/zinc/87/50/15/546875015.db2.gz YQJQQWQXPIQEQS-RBUKOAKNSA-N 2 2 371.529 2.306 20 30 FEEDLP CN(C(=O)c1cc(C#N)cn1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178928901 546875018 /nfs/dbraw/zinc/87/50/18/546875018.db2.gz YQJQQWQXPIQEQS-RBUKOAKNSA-N 2 2 371.529 2.306 20 30 FEEDLP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181500185 547324539 /nfs/dbraw/zinc/32/45/39/547324539.db2.gz VDWKESQUMRALEI-IBGZPJMESA-N 3 2 369.557 2.138 20 30 FEEDLP C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261972142 549775581 /nfs/dbraw/zinc/77/55/81/549775581.db2.gz NBKDTRJFMAZPPP-HIFRSBDPSA-N 2 2 357.487 2.251 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000264093302 549978565 /nfs/dbraw/zinc/97/85/65/549978565.db2.gz LKUTZZKTDLRDMW-KRWDZBQOSA-N 2 2 356.470 2.411 20 30 FEEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000330176293 554078884 /nfs/dbraw/zinc/07/88/84/554078884.db2.gz CFKKVCCWZZFJAY-KGLIPLIRSA-N 2 2 356.474 2.211 20 30 FEEDLP C[C@H]1CCC[N@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H]1CO ZINC000330314510 554104193 /nfs/dbraw/zinc/10/41/93/554104193.db2.gz PESNWNRRGCCITR-ZFWWWQNUSA-N 2 2 352.504 2.420 20 30 FEEDLP C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H]1CO ZINC000330314510 554104194 /nfs/dbraw/zinc/10/41/94/554104194.db2.gz PESNWNRRGCCITR-ZFWWWQNUSA-N 2 2 352.504 2.420 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000360604096 554881643 /nfs/dbraw/zinc/88/16/43/554881643.db2.gz INQGLACRDGTNFE-SFHVURJKSA-N 2 2 352.482 2.140 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000360604096 554881644 /nfs/dbraw/zinc/88/16/44/554881644.db2.gz INQGLACRDGTNFE-SFHVURJKSA-N 2 2 352.482 2.140 20 30 FEEDLP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CC1 ZINC000364728821 555387209 /nfs/dbraw/zinc/38/72/09/555387209.db2.gz VHCJJACXMBIFGE-LJQANCHMSA-N 2 2 362.477 2.280 20 30 FEEDLP C=CCN(C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372471364 557479367 /nfs/dbraw/zinc/47/93/67/557479367.db2.gz IEONAQPKNUKBPM-SFHVURJKSA-N 2 2 353.470 2.392 20 30 FEEDLP C=CCN(C(=O)NCc1[nH+]ccn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372471364 557479368 /nfs/dbraw/zinc/47/93/68/557479368.db2.gz IEONAQPKNUKBPM-SFHVURJKSA-N 2 2 353.470 2.392 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507426 557707187 /nfs/dbraw/zinc/70/71/87/557707187.db2.gz IAHSYEDIVWTFHQ-MOPGFXCFSA-N 2 2 354.498 2.359 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507426 557707189 /nfs/dbraw/zinc/70/71/89/557707189.db2.gz IAHSYEDIVWTFHQ-MOPGFXCFSA-N 2 2 354.498 2.359 20 30 FEEDLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000521519285 562178026 /nfs/dbraw/zinc/17/80/26/562178026.db2.gz OHNUQHVPZQZOKE-UHFFFAOYSA-N 2 2 355.511 2.442 20 30 FEEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000375509051 558040222 /nfs/dbraw/zinc/04/02/22/558040222.db2.gz KBYAZLDOUJCYEQ-PBHICJAKSA-N 2 2 363.531 2.014 20 30 FEEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000375509051 558040223 /nfs/dbraw/zinc/04/02/23/558040223.db2.gz KBYAZLDOUJCYEQ-PBHICJAKSA-N 2 2 363.531 2.014 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375762096 558078772 /nfs/dbraw/zinc/07/87/72/558078772.db2.gz XRFZULNUPABUKH-NRFANRHFSA-N 2 2 354.498 2.347 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375762096 558078773 /nfs/dbraw/zinc/07/87/73/558078773.db2.gz XRFZULNUPABUKH-NRFANRHFSA-N 2 2 354.498 2.347 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375762096 558078774 /nfs/dbraw/zinc/07/87/74/558078774.db2.gz XRFZULNUPABUKH-NRFANRHFSA-N 2 2 354.498 2.347 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375762096 558078775 /nfs/dbraw/zinc/07/87/75/558078775.db2.gz XRFZULNUPABUKH-NRFANRHFSA-N 2 2 354.498 2.347 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC000376163158 558135468 /nfs/dbraw/zinc/13/54/68/558135468.db2.gz QOANBAQMKDQNOO-RTWAWAEBSA-N 2 2 355.482 2.450 20 30 FEEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000377717469 558404387 /nfs/dbraw/zinc/40/43/87/558404387.db2.gz IGDDKDFGPAXLGD-QGZVFWFLSA-N 2 2 356.474 2.127 20 30 FEEDLP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000377717469 558404389 /nfs/dbraw/zinc/40/43/89/558404389.db2.gz IGDDKDFGPAXLGD-QGZVFWFLSA-N 2 2 356.474 2.127 20 30 FEEDLP N#CC1(NC(=O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000377771263 558416552 /nfs/dbraw/zinc/41/65/52/558416552.db2.gz FPLHVLNAVRRDQG-OALUTQOASA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000377771263 558416554 /nfs/dbraw/zinc/41/65/54/558416554.db2.gz FPLHVLNAVRRDQG-OALUTQOASA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000377771263 558416558 /nfs/dbraw/zinc/41/65/58/558416558.db2.gz FPLHVLNAVRRDQG-OALUTQOASA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000377771263 558416561 /nfs/dbraw/zinc/41/65/61/558416561.db2.gz FPLHVLNAVRRDQG-OALUTQOASA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000377771265 558416869 /nfs/dbraw/zinc/41/68/69/558416869.db2.gz FPLHVLNAVRRDQG-RBUKOAKNSA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000377771265 558416872 /nfs/dbraw/zinc/41/68/72/558416872.db2.gz FPLHVLNAVRRDQG-RBUKOAKNSA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000377771265 558416873 /nfs/dbraw/zinc/41/68/73/558416873.db2.gz FPLHVLNAVRRDQG-RBUKOAKNSA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000377771265 558416874 /nfs/dbraw/zinc/41/68/74/558416874.db2.gz FPLHVLNAVRRDQG-RBUKOAKNSA-N 2 2 352.482 2.003 20 30 FEEDLP C=CCc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc(OC)c1O ZINC000378357232 558537750 /nfs/dbraw/zinc/53/77/50/558537750.db2.gz VIDZGUNZZZCOFR-IBGZPJMESA-N 2 2 359.514 2.341 20 30 FEEDLP C=CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CCOCC1 ZINC000424755666 559675687 /nfs/dbraw/zinc/67/56/87/559675687.db2.gz RNIPAURDSRENRA-DFNIBXOVSA-N 2 2 361.530 2.129 20 30 FEEDLP C=CCC1(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCOCC1 ZINC000424755666 559675688 /nfs/dbraw/zinc/67/56/88/559675688.db2.gz RNIPAURDSRENRA-DFNIBXOVSA-N 2 2 361.530 2.129 20 30 FEEDLP CN(C)c1[nH+]cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1C ZINC000425323663 559696691 /nfs/dbraw/zinc/69/66/91/559696691.db2.gz JJCJCBGMCMUKJK-UHFFFAOYSA-N 2 2 366.469 2.208 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425995178 559727074 /nfs/dbraw/zinc/72/70/74/559727074.db2.gz TVVOZFJCHZORFE-DENIHFKCSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425995178 559727075 /nfs/dbraw/zinc/72/70/75/559727075.db2.gz TVVOZFJCHZORFE-DENIHFKCSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425995178 559727076 /nfs/dbraw/zinc/72/70/76/559727076.db2.gz TVVOZFJCHZORFE-DENIHFKCSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425995178 559727077 /nfs/dbraw/zinc/72/70/77/559727077.db2.gz TVVOZFJCHZORFE-DENIHFKCSA-N 2 2 371.525 2.144 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451031760 560283627 /nfs/dbraw/zinc/28/36/27/560283627.db2.gz XMCPJKVGYATLHT-QINHECLXSA-N 2 2 373.501 2.044 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451031760 560283628 /nfs/dbraw/zinc/28/36/28/560283628.db2.gz XMCPJKVGYATLHT-QINHECLXSA-N 2 2 373.501 2.044 20 30 FEEDLP CC1([NH+]2CCOCC2)CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000528728754 562344269 /nfs/dbraw/zinc/34/42/69/562344269.db2.gz NUAZDGIHLJRKNA-UHFFFAOYSA-N 2 2 356.470 2.074 20 30 FEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000815652401 674963877 /nfs/dbraw/zinc/96/38/77/674963877.db2.gz ATHAXBWDGCSCGK-MRXNPFEDSA-N 2 2 371.934 2.244 20 30 FEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000815652401 674963881 /nfs/dbraw/zinc/96/38/81/674963881.db2.gz ATHAXBWDGCSCGK-MRXNPFEDSA-N 2 2 371.934 2.244 20 30 FEEDLP CCc1nc(CNC(NC2CCN(c3cccc[nH+]3)CC2)=[NH+]C)cs1 ZINC000085991056 670683174 /nfs/dbraw/zinc/68/31/74/670683174.db2.gz TWITWHNVJSLBRN-UHFFFAOYSA-N 2 2 358.515 2.435 20 30 FEEDLP C=C(Br)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447539 680290276 /nfs/dbraw/zinc/29/02/76/680290276.db2.gz XAIQUXBWWBWORW-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447539 680290278 /nfs/dbraw/zinc/29/02/78/680290278.db2.gz XAIQUXBWWBWORW-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447539 680290280 /nfs/dbraw/zinc/29/02/80/680290280.db2.gz XAIQUXBWWBWORW-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447539 680290282 /nfs/dbraw/zinc/29/02/82/680290282.db2.gz XAIQUXBWWBWORW-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)s1 ZINC000983924010 680336209 /nfs/dbraw/zinc/33/62/09/680336209.db2.gz PZEUHSJRHKDRTC-CZPYZCIJSA-N 2 2 355.467 2.131 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)s1 ZINC000983924010 680336214 /nfs/dbraw/zinc/33/62/14/680336214.db2.gz PZEUHSJRHKDRTC-CZPYZCIJSA-N 2 2 355.467 2.131 20 30 FEEDLP C=C(C)C[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046974063 680655047 /nfs/dbraw/zinc/65/50/47/680655047.db2.gz DCKAJWQLTUBPES-RRFJBIMHSA-N 2 2 352.429 2.173 20 30 FEEDLP C=C(C)C[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046974063 680655048 /nfs/dbraw/zinc/65/50/48/680655048.db2.gz DCKAJWQLTUBPES-RRFJBIMHSA-N 2 2 352.429 2.173 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000876755772 686261664 /nfs/dbraw/zinc/26/16/64/686261664.db2.gz WPCOFCSUYCNAAQ-RHSMWYFYSA-N 2 2 351.878 2.370 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000876784408 686268377 /nfs/dbraw/zinc/26/83/77/686268377.db2.gz DSOLETWFMNCULM-KRWDZBQOSA-N 2 2 350.894 2.308 20 30 FEEDLP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000046280745 540251066 /nfs/dbraw/zinc/25/10/66/540251066.db2.gz XOFOEDGEVYSTRG-QGZVFWFLSA-N 2 2 357.502 2.116 20 30 FEEDLP CC[NH+](CC)CCSCC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000081230189 542639999 /nfs/dbraw/zinc/63/99/99/542639999.db2.gz KSDYCGNZHLUHJX-UHFFFAOYSA-N 2 2 374.554 2.277 20 30 FEEDLP C=CCOc1ccccc1C[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000093562766 542934038 /nfs/dbraw/zinc/93/40/38/542934038.db2.gz AVYYRYDGSAWIMB-UHFFFAOYSA-N 2 2 353.470 2.430 20 30 FEEDLP C#CCOc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000120110254 543675326 /nfs/dbraw/zinc/67/53/26/543675326.db2.gz IBDKPLQADSZXPP-UHFFFAOYSA-N 2 2 370.497 2.379 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000126483680 543938700 /nfs/dbraw/zinc/93/87/00/543938700.db2.gz VVXFSCGJVWDGRQ-UHFFFAOYSA-N 2 2 368.485 2.066 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000126483680 543938702 /nfs/dbraw/zinc/93/87/02/543938702.db2.gz VVXFSCGJVWDGRQ-UHFFFAOYSA-N 2 2 368.485 2.066 20 30 FEEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000153910673 544838855 /nfs/dbraw/zinc/83/88/55/544838855.db2.gz NGAJAVGYUJJINV-KDURUIRLSA-N 2 2 356.514 2.427 20 30 FEEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000153910673 544838860 /nfs/dbraw/zinc/83/88/60/544838860.db2.gz NGAJAVGYUJJINV-KDURUIRLSA-N 2 2 356.514 2.427 20 30 FEEDLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000015368656 324382612 /nfs/dbraw/zinc/38/26/12/324382612.db2.gz AOPJVJKZQFUHTN-UHFFFAOYSA-N 2 2 362.477 2.334 20 30 FEEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(C#N)c1 ZINC000015368656 324382617 /nfs/dbraw/zinc/38/26/17/324382617.db2.gz AOPJVJKZQFUHTN-UHFFFAOYSA-N 2 2 362.477 2.334 20 30 FEEDLP C#Cc1cccc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000160269010 546025023 /nfs/dbraw/zinc/02/50/23/546025023.db2.gz FJYQQYXULHQYIN-YOFSQIOKSA-N 2 2 352.482 2.443 20 30 FEEDLP C#Cc1cccc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000160269010 546025030 /nfs/dbraw/zinc/02/50/30/546025030.db2.gz FJYQQYXULHQYIN-YOFSQIOKSA-N 2 2 352.482 2.443 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000171739770 546223243 /nfs/dbraw/zinc/22/32/43/546223243.db2.gz WAVJPERLKUFPLM-UHFFFAOYSA-N 2 2 358.486 2.291 20 30 FEEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000489406149 561410224 /nfs/dbraw/zinc/41/02/24/561410224.db2.gz RUKGHCZBONLVRP-IBGZPJMESA-N 2 2 357.498 2.380 20 30 FEEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000489406149 561410225 /nfs/dbraw/zinc/41/02/25/561410225.db2.gz RUKGHCZBONLVRP-IBGZPJMESA-N 2 2 357.498 2.380 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656446 549676069 /nfs/dbraw/zinc/67/60/69/549676069.db2.gz GKKIFKIAGQWFQX-SJORKVTESA-N 2 2 357.502 2.406 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656446 549676075 /nfs/dbraw/zinc/67/60/75/549676075.db2.gz GKKIFKIAGQWFQX-SJORKVTESA-N 2 2 357.502 2.406 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NC[C@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000264099828 549978941 /nfs/dbraw/zinc/97/89/41/549978941.db2.gz NSKRTMBFWQSZEQ-OAHLLOKOSA-N 2 2 362.499 2.473 20 30 FEEDLP COc1ccc(CCNC(=[NH2+])NCCc2cn3ccccc3[nH+]2)cc1OC ZINC000264150867 549985796 /nfs/dbraw/zinc/98/57/96/549985796.db2.gz ZBLQJSAJMHNYCM-UHFFFAOYSA-N 2 2 367.453 2.041 20 30 FEEDLP COc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267004365 550026850 /nfs/dbraw/zinc/02/68/50/550026850.db2.gz IXMVBHPDBHUBGS-UHFFFAOYSA-N 2 2 356.426 2.032 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000269699957 550218318 /nfs/dbraw/zinc/21/83/18/550218318.db2.gz YCEJWVUBSYBOTQ-QUCCMNQESA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000269699957 550218319 /nfs/dbraw/zinc/21/83/19/550218319.db2.gz YCEJWVUBSYBOTQ-QUCCMNQESA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000269699957 550218321 /nfs/dbraw/zinc/21/83/21/550218321.db2.gz YCEJWVUBSYBOTQ-QUCCMNQESA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000269699957 550218322 /nfs/dbraw/zinc/21/83/22/550218322.db2.gz YCEJWVUBSYBOTQ-QUCCMNQESA-N 2 2 352.482 2.123 20 30 FEEDLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C#N)c(F)c1 ZINC000271908155 550410033 /nfs/dbraw/zinc/41/00/33/550410033.db2.gz CUFXYWRJZSNXRT-INIZCTEOSA-N 2 2 368.460 2.350 20 30 FEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292074048 552691054 /nfs/dbraw/zinc/69/10/54/552691054.db2.gz DZGWVRHLKYBTAB-OXQOHEQNSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292074048 552691055 /nfs/dbraw/zinc/69/10/55/552691055.db2.gz DZGWVRHLKYBTAB-OXQOHEQNSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292074048 552691056 /nfs/dbraw/zinc/69/10/56/552691056.db2.gz DZGWVRHLKYBTAB-OXQOHEQNSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292074048 552691057 /nfs/dbraw/zinc/69/10/57/552691057.db2.gz DZGWVRHLKYBTAB-OXQOHEQNSA-N 2 2 358.461 2.488 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000296863015 553222041 /nfs/dbraw/zinc/22/20/41/553222041.db2.gz KQEAJIJUWKWDGJ-QGZVFWFLSA-N 2 2 373.888 2.417 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000328954401 553852787 /nfs/dbraw/zinc/85/27/87/553852787.db2.gz MVMFQZPXTACSTE-FGTMMUONSA-N 2 2 360.502 2.467 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000328954401 553852792 /nfs/dbraw/zinc/85/27/92/553852792.db2.gz MVMFQZPXTACSTE-FGTMMUONSA-N 2 2 360.502 2.467 20 30 FEEDLP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329356307 553930568 /nfs/dbraw/zinc/93/05/68/553930568.db2.gz GZSQEJHDPWKMNH-PKOBYXMFSA-N 2 2 354.454 2.303 20 30 FEEDLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@H](C)N3CC[NH+](C)CC3)sc2C1 ZINC000329502945 553959021 /nfs/dbraw/zinc/95/90/21/553959021.db2.gz GRQSVOXZMFBGMC-ZDUSSCGKSA-N 2 2 351.520 2.134 20 30 FEEDLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@H](C)N3CC[NH+](C)CC3)sc2C1 ZINC000329502945 553959022 /nfs/dbraw/zinc/95/90/22/553959022.db2.gz GRQSVOXZMFBGMC-ZDUSSCGKSA-N 2 2 351.520 2.134 20 30 FEEDLP C[N@@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000329914207 554030269 /nfs/dbraw/zinc/03/02/69/554030269.db2.gz XTJDQFJSJQZINU-MRXNPFEDSA-N 2 2 353.507 2.087 20 30 FEEDLP C[N@H+]1CCO[C@@H](C(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000329914207 554030270 /nfs/dbraw/zinc/03/02/70/554030270.db2.gz XTJDQFJSJQZINU-MRXNPFEDSA-N 2 2 353.507 2.087 20 30 FEEDLP C[NH+]1CCO[C@@H](C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000329914207 554030273 /nfs/dbraw/zinc/03/02/73/554030273.db2.gz XTJDQFJSJQZINU-MRXNPFEDSA-N 2 2 353.507 2.087 20 30 FEEDLP C[NH+]1CCO[C@@H](C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000329914207 554030274 /nfs/dbraw/zinc/03/02/74/554030274.db2.gz XTJDQFJSJQZINU-MRXNPFEDSA-N 2 2 353.507 2.087 20 30 FEEDLP CCN1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329973686 554042333 /nfs/dbraw/zinc/04/23/33/554042333.db2.gz WYGNJTFQICCZAU-DLBZAZTESA-N 2 2 362.522 2.123 20 30 FEEDLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CCC[C@@H]3O[C@@H](CC#N)C[C@@H]32)nc[nH+]1 ZINC000360054773 554861485 /nfs/dbraw/zinc/86/14/85/554861485.db2.gz GHWUSVOMJTZJSJ-ILOCAZANSA-N 2 2 370.501 2.317 20 30 FEEDLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511771449 561880253 /nfs/dbraw/zinc/88/02/53/561880253.db2.gz RSEFBJHOXLDBCD-KSZLIROESA-N 2 2 354.498 2.464 20 30 FEEDLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511771449 561880255 /nfs/dbraw/zinc/88/02/55/561880255.db2.gz RSEFBJHOXLDBCD-KSZLIROESA-N 2 2 354.498 2.464 20 30 FEEDLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCC[N@@H+]2C)cn1 ZINC000369479062 556607889 /nfs/dbraw/zinc/60/78/89/556607889.db2.gz RBBLMOLNIMCQIP-UZLBHIALSA-N 2 2 363.469 2.112 20 30 FEEDLP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCC[N@H+]2C)cn1 ZINC000369479062 556607892 /nfs/dbraw/zinc/60/78/92/556607892.db2.gz RBBLMOLNIMCQIP-UZLBHIALSA-N 2 2 363.469 2.112 20 30 FEEDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000369671136 556664916 /nfs/dbraw/zinc/66/49/16/556664916.db2.gz DAVYDNASXSTLQE-OXQOHEQNSA-N 2 2 353.470 2.473 20 30 FEEDLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000369671136 556664919 /nfs/dbraw/zinc/66/49/19/556664919.db2.gz DAVYDNASXSTLQE-OXQOHEQNSA-N 2 2 353.470 2.473 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N(CCC#N)c1ccccc1 ZINC000371292718 557133823 /nfs/dbraw/zinc/13/38/23/557133823.db2.gz DEYZXXINOJDMGF-AQNXPRMDSA-N 2 2 370.497 2.117 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC(=O)N(CCC#N)c1ccccc1 ZINC000371292718 557133825 /nfs/dbraw/zinc/13/38/25/557133825.db2.gz DEYZXXINOJDMGF-AQNXPRMDSA-N 2 2 370.497 2.117 20 30 FEEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000372360897 557449522 /nfs/dbraw/zinc/44/95/22/557449522.db2.gz XQTAKGZBFYDTPI-VNQPRFMTSA-N 2 2 362.499 2.037 20 30 FEEDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000372360897 557449525 /nfs/dbraw/zinc/44/95/25/557449525.db2.gz XQTAKGZBFYDTPI-VNQPRFMTSA-N 2 2 362.499 2.037 20 30 FEEDLP C[NH+](C)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000519813802 562144952 /nfs/dbraw/zinc/14/49/52/562144952.db2.gz ONZDZWAZXDDAME-KRWDZBQOSA-N 2 2 351.516 2.288 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507432 557707904 /nfs/dbraw/zinc/70/79/04/557707904.db2.gz IAHSYEDIVWTFHQ-RTBURBONSA-N 2 2 354.498 2.359 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H](CC#N)c3ccccc3)C2)CC1 ZINC000373507432 557707907 /nfs/dbraw/zinc/70/79/07/557707907.db2.gz IAHSYEDIVWTFHQ-RTBURBONSA-N 2 2 354.498 2.359 20 30 FEEDLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000375237051 557996541 /nfs/dbraw/zinc/99/65/41/557996541.db2.gz AAPKXNVYVIOWOA-YLJYHZDGSA-N 2 2 367.453 2.212 20 30 FEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375741885 558075712 /nfs/dbraw/zinc/07/57/12/558075712.db2.gz FXQRKRBSVKKFSD-RXVVDRJESA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375741885 558075713 /nfs/dbraw/zinc/07/57/13/558075713.db2.gz FXQRKRBSVKKFSD-RXVVDRJESA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375741885 558075715 /nfs/dbraw/zinc/07/57/15/558075715.db2.gz FXQRKRBSVKKFSD-RXVVDRJESA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375741885 558075717 /nfs/dbraw/zinc/07/57/17/558075717.db2.gz FXQRKRBSVKKFSD-RXVVDRJESA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375741889 558075729 /nfs/dbraw/zinc/07/57/29/558075729.db2.gz FXQRKRBSVKKFSD-WIYYLYMNSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375741889 558075731 /nfs/dbraw/zinc/07/57/31/558075731.db2.gz FXQRKRBSVKKFSD-WIYYLYMNSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375741889 558075732 /nfs/dbraw/zinc/07/57/32/558075732.db2.gz FXQRKRBSVKKFSD-WIYYLYMNSA-N 2 2 354.498 2.345 20 30 FEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375741889 558075734 /nfs/dbraw/zinc/07/57/34/558075734.db2.gz FXQRKRBSVKKFSD-WIYYLYMNSA-N 2 2 354.498 2.345 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000378245681 558510424 /nfs/dbraw/zinc/51/04/24/558510424.db2.gz CUAJVGIVBBGRLP-FGTMMUONSA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000378245681 558510426 /nfs/dbraw/zinc/51/04/26/558510426.db2.gz CUAJVGIVBBGRLP-FGTMMUONSA-N 2 2 367.453 2.292 20 30 FEEDLP C=CCOc1ccccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378366214 558540116 /nfs/dbraw/zinc/54/01/16/558540116.db2.gz BEZFFXGQHOWLDZ-QGZVFWFLSA-N 2 2 357.498 2.492 20 30 FEEDLP C=CCOc1ccccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378366214 558540119 /nfs/dbraw/zinc/54/01/19/558540119.db2.gz BEZFFXGQHOWLDZ-QGZVFWFLSA-N 2 2 357.498 2.492 20 30 FEEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000388277831 558608625 /nfs/dbraw/zinc/60/86/25/558608625.db2.gz POTSAFAPRKJEEG-XLIONFOSSA-N 2 2 353.466 2.408 20 30 FEEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000388277831 558608629 /nfs/dbraw/zinc/60/86/29/558608629.db2.gz POTSAFAPRKJEEG-XLIONFOSSA-N 2 2 353.466 2.408 20 30 FEEDLP CN(C)c1[nH+]cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000425330394 559697145 /nfs/dbraw/zinc/69/71/45/559697145.db2.gz VMBXCADCEAKISI-UHFFFAOYSA-N 2 2 352.486 2.066 20 30 FEEDLP CN(C)c1[nH+]cc(CN2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C ZINC000425330394 559697146 /nfs/dbraw/zinc/69/71/46/559697146.db2.gz VMBXCADCEAKISI-UHFFFAOYSA-N 2 2 352.486 2.066 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425995179 559727213 /nfs/dbraw/zinc/72/72/13/559727213.db2.gz TVVOZFJCHZORFE-KNQAVFIVSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425995179 559727214 /nfs/dbraw/zinc/72/72/14/559727214.db2.gz TVVOZFJCHZORFE-KNQAVFIVSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425995179 559727215 /nfs/dbraw/zinc/72/72/15/559727215.db2.gz TVVOZFJCHZORFE-KNQAVFIVSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425995179 559727216 /nfs/dbraw/zinc/72/72/16/559727216.db2.gz TVVOZFJCHZORFE-KNQAVFIVSA-N 2 2 371.525 2.144 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC#Cc3ccccc3)C2)CC1 ZINC000451529816 560312444 /nfs/dbraw/zinc/31/24/44/560312444.db2.gz OBQPMNKWVJADIN-JOCHJYFZSA-N 2 2 353.510 2.304 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC#Cc3ccccc3)C2)CC1 ZINC000451529816 560312445 /nfs/dbraw/zinc/31/24/45/560312445.db2.gz OBQPMNKWVJADIN-JOCHJYFZSA-N 2 2 353.510 2.304 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000451529816 560312446 /nfs/dbraw/zinc/31/24/46/560312446.db2.gz OBQPMNKWVJADIN-JOCHJYFZSA-N 2 2 353.510 2.304 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000451529816 560312447 /nfs/dbraw/zinc/31/24/47/560312447.db2.gz OBQPMNKWVJADIN-JOCHJYFZSA-N 2 2 353.510 2.304 20 30 FEEDLP C[C@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459376168 560683235 /nfs/dbraw/zinc/68/32/35/560683235.db2.gz QZDMPTPHUJDQIJ-HNNXBMFYSA-N 2 2 357.458 2.067 20 30 FEEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001031682839 680406641 /nfs/dbraw/zinc/40/66/41/680406641.db2.gz XBPNZWHTAACIGQ-DNVCBOLYSA-N 2 2 359.901 2.080 20 30 FEEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC#Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001031682839 680406645 /nfs/dbraw/zinc/40/66/45/680406645.db2.gz XBPNZWHTAACIGQ-DNVCBOLYSA-N 2 2 359.901 2.080 20 30 FEEDLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884320947 687847546 /nfs/dbraw/zinc/84/75/46/687847546.db2.gz BGJSBNHCLFKLHO-BBPFYFEFSA-N 2 2 358.511 2.093 20 30 FEEDLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965793 541899138 /nfs/dbraw/zinc/89/91/38/541899138.db2.gz JINXPQICPKMGQB-RBUKOAKNSA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965793 541899141 /nfs/dbraw/zinc/89/91/41/541899141.db2.gz JINXPQICPKMGQB-RBUKOAKNSA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965793 541899147 /nfs/dbraw/zinc/89/91/47/541899147.db2.gz JINXPQICPKMGQB-RBUKOAKNSA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965793 541899152 /nfs/dbraw/zinc/89/91/52/541899152.db2.gz JINXPQICPKMGQB-RBUKOAKNSA-N 2 2 359.518 2.229 20 30 FEEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000089134906 542758607 /nfs/dbraw/zinc/75/86/07/542758607.db2.gz DOOOEPRJZQYRLS-VQTJNVASSA-N 2 2 354.498 2.359 20 30 FEEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000089134906 542758612 /nfs/dbraw/zinc/75/86/12/542758612.db2.gz DOOOEPRJZQYRLS-VQTJNVASSA-N 2 2 354.498 2.359 20 30 FEEDLP C=CCOc1cc(OC)ccc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000128797648 544074161 /nfs/dbraw/zinc/07/41/61/544074161.db2.gz RVVRFRRTXIGVNC-UHFFFAOYSA-N 2 2 361.486 2.016 20 30 FEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000090003636 325349877 /nfs/dbraw/zinc/34/98/77/325349877.db2.gz FEXKRVCYBILRFT-KRWDZBQOSA-N 2 2 372.494 2.020 20 30 FEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000090003636 325349878 /nfs/dbraw/zinc/34/98/78/325349878.db2.gz FEXKRVCYBILRFT-KRWDZBQOSA-N 2 2 372.494 2.020 20 30 FEEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000155533489 545539514 /nfs/dbraw/zinc/53/95/14/545539514.db2.gz LBIVRUZHLAGVNF-INIZCTEOSA-N 2 2 359.437 2.245 20 30 FEEDLP C[C@H]1CN(c2nccnc2C#N)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000155533489 545539519 /nfs/dbraw/zinc/53/95/19/545539519.db2.gz LBIVRUZHLAGVNF-INIZCTEOSA-N 2 2 359.437 2.245 20 30 FEEDLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000177487935 546629033 /nfs/dbraw/zinc/62/90/33/546629033.db2.gz YZBLZPQRUHFMDO-FQEVSTJZSA-N 2 2 370.497 2.143 20 30 FEEDLP CN(C)C(=O)C[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481923558 561245450 /nfs/dbraw/zinc/24/54/50/561245450.db2.gz PMPSZNCDNDCEGJ-HXUWFJFHSA-N 2 2 354.498 2.468 20 30 FEEDLP C[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262012590 549779299 /nfs/dbraw/zinc/77/92/99/549779299.db2.gz WXSZWNLWVJDCLZ-QGZVFWFLSA-N 2 2 364.453 2.001 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NCCn2c(C)[nH+]c3ccccc32)cc1OC ZINC000264141485 549984258 /nfs/dbraw/zinc/98/42/58/549984258.db2.gz WRQDKOFHGYQFFL-UHFFFAOYSA-N 2 2 367.453 2.466 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264285781 549993741 /nfs/dbraw/zinc/99/37/41/549993741.db2.gz VFAMPUXUDUNPDO-QGZVFWFLSA-N 2 2 355.482 2.364 20 30 FEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000285577777 551777699 /nfs/dbraw/zinc/77/76/99/551777699.db2.gz GZZFEMXVQGQUCL-DXJOGWAWSA-N 2 2 358.461 2.432 20 30 FEEDLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000285577777 551777701 /nfs/dbraw/zinc/77/77/01/551777701.db2.gz GZZFEMXVQGQUCL-DXJOGWAWSA-N 2 2 358.461 2.432 20 30 FEEDLP C[NH+]1CCC(CNC(=O)NC[C@@H]2CCCCO2)([NH+]2CCCCC2)CC1 ZINC000329810184 554009715 /nfs/dbraw/zinc/00/97/15/554009715.db2.gz MLJQJJZNFZASER-KRWDZBQOSA-N 2 2 352.523 2.009 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000329952413 554037876 /nfs/dbraw/zinc/03/78/76/554037876.db2.gz ITWRUXQEHJUJJV-QGZVFWFLSA-N 2 2 360.506 2.043 20 30 FEEDLP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000329987581 554044618 /nfs/dbraw/zinc/04/46/18/554044618.db2.gz GIMARXVYKDTIOB-UHFFFAOYSA-N 2 2 367.457 2.303 20 30 FEEDLP CCN1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329999352 554046696 /nfs/dbraw/zinc/04/66/96/554046696.db2.gz UPLHUPBMVLJKNQ-HNNXBMFYSA-N 2 2 362.522 2.312 20 30 FEEDLP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)C1 ZINC000330177803 554079142 /nfs/dbraw/zinc/07/91/42/554079142.db2.gz DEXLJGDWIVLEBX-QRWLVFNGSA-N 2 2 359.518 2.437 20 30 FEEDLP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)C1 ZINC000330177803 554079143 /nfs/dbraw/zinc/07/91/43/554079143.db2.gz DEXLJGDWIVLEBX-QRWLVFNGSA-N 2 2 359.518 2.437 20 30 FEEDLP C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000362323247 554963298 /nfs/dbraw/zinc/96/32/98/554963298.db2.gz AATZKIUAVBMNIF-INIZCTEOSA-N 2 2 353.514 2.437 20 30 FEEDLP C[C@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000362323247 554963300 /nfs/dbraw/zinc/96/33/00/554963300.db2.gz AATZKIUAVBMNIF-INIZCTEOSA-N 2 2 353.514 2.437 20 30 FEEDLP C=C(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(CO)o1 ZINC000512230381 561896645 /nfs/dbraw/zinc/89/66/45/561896645.db2.gz VTTGMTWDEMZNSL-UHFFFAOYSA-N 2 2 363.502 2.139 20 30 FEEDLP C=C(C)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(CO)o1 ZINC000512230381 561896647 /nfs/dbraw/zinc/89/66/47/561896647.db2.gz VTTGMTWDEMZNSL-UHFFFAOYSA-N 2 2 363.502 2.139 20 30 FEEDLP C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368615647 556363624 /nfs/dbraw/zinc/36/36/24/556363624.db2.gz AVWCYBVIDUAOSN-PMACEKPBSA-N 2 2 368.525 2.089 20 30 FEEDLP C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368615647 556363628 /nfs/dbraw/zinc/36/36/28/556363628.db2.gz AVWCYBVIDUAOSN-PMACEKPBSA-N 2 2 368.525 2.089 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OCCCC#N ZINC000369037125 556484188 /nfs/dbraw/zinc/48/41/88/556484188.db2.gz VEFFQLLLJRLZJY-QZTJIDSGSA-N 2 2 359.470 2.331 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1OCCCC#N ZINC000369037125 556484190 /nfs/dbraw/zinc/48/41/90/556484190.db2.gz VEFFQLLLJRLZJY-QZTJIDSGSA-N 2 2 359.470 2.331 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000516955957 562067221 /nfs/dbraw/zinc/06/72/21/562067221.db2.gz UFYYUGMUQPVZPX-MRXNPFEDSA-N 2 2 363.465 2.308 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC(=O)N[C@H]3C3CC3)CC2)cc1 ZINC000375301137 558006118 /nfs/dbraw/zinc/00/61/18/558006118.db2.gz FDOYWYIYLUSSSB-FPOVZHCZSA-N 2 2 352.482 2.169 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC(=O)N[C@@H]3C3CC3)CC2)cc1 ZINC000375301138 558006298 /nfs/dbraw/zinc/00/62/98/558006298.db2.gz FDOYWYIYLUSSSB-PZJWPPBQSA-N 2 2 352.482 2.169 20 30 FEEDLP C=CCOc1ccccc1C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378366210 558540203 /nfs/dbraw/zinc/54/02/03/558540203.db2.gz BEZFFXGQHOWLDZ-KRWDZBQOSA-N 2 2 357.498 2.492 20 30 FEEDLP C=CCOc1ccccc1C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378366210 558540204 /nfs/dbraw/zinc/54/02/04/558540204.db2.gz BEZFFXGQHOWLDZ-KRWDZBQOSA-N 2 2 357.498 2.492 20 30 FEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378432896 558556208 /nfs/dbraw/zinc/55/62/08/558556208.db2.gz IHSJXJIXFCPDEX-IBGZPJMESA-N 2 2 371.481 2.207 20 30 FEEDLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000378449916 558560143 /nfs/dbraw/zinc/56/01/43/558560143.db2.gz HDSRKEPNSSMZAL-YSGRDPCXSA-N 2 2 352.482 2.122 20 30 FEEDLP C[N@H+](CCC#N)C[C@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000414111439 559149607 /nfs/dbraw/zinc/14/96/07/559149607.db2.gz XCURTYKUEKARBV-SFHVURJKSA-N 2 2 363.465 2.855 20 30 FEEDLP C[N@@H+](CCC#N)C[C@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000414111439 559149608 /nfs/dbraw/zinc/14/96/08/559149608.db2.gz XCURTYKUEKARBV-SFHVURJKSA-N 2 2 363.465 2.855 20 30 FEEDLP C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000415047907 559202233 /nfs/dbraw/zinc/20/22/33/559202233.db2.gz YZOHYNANYSTAHD-JYAVWHMHSA-N 2 2 353.260 2.330 20 30 FEEDLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424178536 559656950 /nfs/dbraw/zinc/65/69/50/559656950.db2.gz WVXWKXIGWKOIHE-ZOBUZTSGSA-N 2 2 368.403 2.377 20 30 FEEDLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000424178536 559656951 /nfs/dbraw/zinc/65/69/51/559656951.db2.gz WVXWKXIGWKOIHE-ZOBUZTSGSA-N 2 2 368.403 2.377 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccccc3C#N)C2)CC1 ZINC000449497095 560231731 /nfs/dbraw/zinc/23/17/31/560231731.db2.gz KEAOZNHGBYENCZ-IBGZPJMESA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000449497095 560231732 /nfs/dbraw/zinc/23/17/32/560231732.db2.gz KEAOZNHGBYENCZ-IBGZPJMESA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000449497095 560231733 /nfs/dbraw/zinc/23/17/33/560231733.db2.gz KEAOZNHGBYENCZ-IBGZPJMESA-N 2 2 354.498 2.324 20 30 FEEDLP CC1([NH+]2CCOCC2)CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000528729664 562344529 /nfs/dbraw/zinc/34/45/29/562344529.db2.gz VEJSMBSZVOSWED-UHFFFAOYSA-N 2 2 356.470 2.074 20 30 FEEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000826038623 608218244 /nfs/dbraw/zinc/21/82/44/608218244.db2.gz RRQCAAQHUNSYIZ-UHFFFAOYSA-N 2 2 362.441 2.065 20 30 FEEDLP C[NH+]=C(NC[C@H]1CCCS1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000261959863 672906194 /nfs/dbraw/zinc/90/61/94/672906194.db2.gz JVJRFUDDPBUWNQ-MRXNPFEDSA-N 2 2 354.564 2.082 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033837893 680425795 /nfs/dbraw/zinc/42/57/95/680425795.db2.gz KQXWSQDIVQXEAJ-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033837893 680425799 /nfs/dbraw/zinc/42/57/99/680425799.db2.gz KQXWSQDIVQXEAJ-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033837893 680425800 /nfs/dbraw/zinc/42/58/00/680425800.db2.gz KQXWSQDIVQXEAJ-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033837893 680425803 /nfs/dbraw/zinc/42/58/03/680425803.db2.gz KQXWSQDIVQXEAJ-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2nc(C[NH+](C)C)cs2)CC1 ZINC000917092480 685529594 /nfs/dbraw/zinc/52/95/94/685529594.db2.gz NUDUWALNKDXUIS-UHFFFAOYSA-N 2 2 351.520 2.044 20 30 FEEDLP C=CC[C@@H](C(=O)OC)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174254 686535289 /nfs/dbraw/zinc/53/52/89/686535289.db2.gz MSCVIINHOSFNMV-IBGZPJMESA-N 3 2 351.535 2.232 20 30 FEEDLP C=CC[C@@H](C(=O)OC)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174254 686535293 /nfs/dbraw/zinc/53/52/93/686535293.db2.gz MSCVIINHOSFNMV-IBGZPJMESA-N 3 2 351.535 2.232 20 30 FEEDLP CCc1nc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)cs1 ZINC000068776676 541626325 /nfs/dbraw/zinc/62/63/25/541626325.db2.gz YXMJSPWISZOQTM-UHFFFAOYSA-N 2 2 374.510 2.499 20 30 FEEDLP C[NH+]1CCC(CNC(=O)NCc2cccc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000073629825 541977658 /nfs/dbraw/zinc/97/76/58/541977658.db2.gz XEUWRSQRKLFPET-UHFFFAOYSA-N 2 2 369.513 2.308 20 30 FEEDLP C[C@@H]1C[NH+](Cc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)C[C@@H](C)O1 ZINC000077039789 542343191 /nfs/dbraw/zinc/34/31/91/542343191.db2.gz FFEOGHXSEVEJNS-IAGOWNOFSA-N 2 2 370.497 2.014 20 30 FEEDLP COc1cccc(NC(=[NH2+])NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000104154548 543125444 /nfs/dbraw/zinc/12/54/44/543125444.db2.gz HOJTWYOTFIIXKA-LJQANCHMSA-N 2 2 354.454 2.323 20 30 FEEDLP COc1cccc(NC(=[NH2+])NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000104154548 543125445 /nfs/dbraw/zinc/12/54/45/543125445.db2.gz HOJTWYOTFIIXKA-LJQANCHMSA-N 2 2 354.454 2.323 20 30 FEEDLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)c1 ZINC000104717649 543138327 /nfs/dbraw/zinc/13/83/27/543138327.db2.gz PROAEVSKZPMFCP-UHFFFAOYSA-N 2 2 365.437 2.113 20 30 FEEDLP CC(C)[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181427462 327730277 /nfs/dbraw/zinc/73/02/77/327730277.db2.gz DPIVWPASQMJELP-QFIPXVFZSA-N 2 2 370.541 2.469 20 30 FEEDLP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000275548472 330062386 /nfs/dbraw/zinc/06/23/86/330062386.db2.gz NDIHVGAEGZOKHP-PMACEKPBSA-N 2 2 365.481 2.376 20 30 FEEDLP COCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181581884 547340438 /nfs/dbraw/zinc/34/04/38/547340438.db2.gz IMCRDMFMCARVIB-UHFFFAOYSA-N 2 2 356.514 2.223 20 30 FEEDLP COCC[NH+]1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181581884 547340442 /nfs/dbraw/zinc/34/04/42/547340442.db2.gz IMCRDMFMCARVIB-UHFFFAOYSA-N 3 2 356.514 2.223 20 30 FEEDLP CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249106013 549553715 /nfs/dbraw/zinc/55/37/15/549553715.db2.gz PHNZJKQEKNBZPK-VQTJNVASSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249106013 549553719 /nfs/dbraw/zinc/55/37/19/549553719.db2.gz PHNZJKQEKNBZPK-VQTJNVASSA-N 2 2 369.513 2.362 20 30 FEEDLP C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261972144 549775673 /nfs/dbraw/zinc/77/56/73/549775673.db2.gz NBKDTRJFMAZPPP-ZFWWWQNUSA-N 2 2 357.487 2.251 20 30 FEEDLP CCOC(=O)N1CCC(NC(=[NH2+])NCCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000264103929 549979715 /nfs/dbraw/zinc/97/97/15/549979715.db2.gz OWTPJUAVXLKUHU-UHFFFAOYSA-N 2 2 372.473 2.021 20 30 FEEDLP N#CC1(c2ccccc2)CCC([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000271093087 550339479 /nfs/dbraw/zinc/33/94/79/550339479.db2.gz XFRBCHUHSVVQLJ-OBXNSHGQSA-N 2 2 354.498 2.320 20 30 FEEDLP N#CC1(c2ccccc2)CCC([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000271093087 550339482 /nfs/dbraw/zinc/33/94/82/550339482.db2.gz XFRBCHUHSVVQLJ-OBXNSHGQSA-N 2 2 354.498 2.320 20 30 FEEDLP COc1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)ccc1C#N ZINC000281747702 551138370 /nfs/dbraw/zinc/13/83/70/551138370.db2.gz QSHOPFBXLDQHHZ-UHFFFAOYSA-N 2 2 351.454 2.003 20 30 FEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000289725005 552368333 /nfs/dbraw/zinc/36/83/33/552368333.db2.gz LLANVACNGIFGOT-IBGZPJMESA-N 2 2 363.527 2.342 20 30 FEEDLP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000328645741 553801923 /nfs/dbraw/zinc/80/19/23/553801923.db2.gz GNWOCAINAWDISF-ZDUSSCGKSA-N 2 2 358.446 2.111 20 30 FEEDLP CNC(=O)Cc1noc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000328645741 553801926 /nfs/dbraw/zinc/80/19/26/553801926.db2.gz GNWOCAINAWDISF-ZDUSSCGKSA-N 2 2 358.446 2.111 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000329049404 553871184 /nfs/dbraw/zinc/87/11/84/553871184.db2.gz KJYVKPLNOMLLJK-OAHLLOKOSA-N 2 2 364.534 2.149 20 30 FEEDLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000329063958 553873909 /nfs/dbraw/zinc/87/39/09/553873909.db2.gz VNYPKIMNIAXRCD-BRWVUGGUSA-N 2 2 361.490 2.018 20 30 FEEDLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CCOCC1 ZINC000329063958 553873911 /nfs/dbraw/zinc/87/39/11/553873911.db2.gz VNYPKIMNIAXRCD-BRWVUGGUSA-N 2 2 361.490 2.018 20 30 FEEDLP O=C(C[N@@H+]1CCOCC2(CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329479042 553954313 /nfs/dbraw/zinc/95/43/13/553954313.db2.gz VACMHCBBRLPSON-UHFFFAOYSA-N 2 2 365.518 2.090 20 30 FEEDLP O=C(C[N@H+]1CCOCC2(CC2)C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329479042 553954314 /nfs/dbraw/zinc/95/43/14/553954314.db2.gz VACMHCBBRLPSON-UHFFFAOYSA-N 2 2 365.518 2.090 20 30 FEEDLP C[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858653 554020291 /nfs/dbraw/zinc/02/02/91/554020291.db2.gz OEIISPCUCMAKIG-RDJZCZTQSA-N 2 2 360.458 2.352 20 30 FEEDLP C[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858653 554020295 /nfs/dbraw/zinc/02/02/95/554020295.db2.gz OEIISPCUCMAKIG-RDJZCZTQSA-N 2 2 360.458 2.352 20 30 FEEDLP C[NH+]1CCO[C@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000329858653 554020299 /nfs/dbraw/zinc/02/02/99/554020299.db2.gz OEIISPCUCMAKIG-RDJZCZTQSA-N 2 2 360.458 2.352 20 30 FEEDLP CN1CC[NH+](CC2(C)CC[NH+]([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)CC1 ZINC000332116452 554383790 /nfs/dbraw/zinc/38/37/90/554383790.db2.gz KEDUKKSAJKIDPS-IBGZPJMESA-N 2 2 369.513 2.484 20 30 FEEDLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000510936628 561851644 /nfs/dbraw/zinc/85/16/44/561851644.db2.gz PFUMOKLNCFJWML-WMZOPIPTSA-N 2 2 358.461 2.093 20 30 FEEDLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000510936628 561851646 /nfs/dbraw/zinc/85/16/46/561851646.db2.gz PFUMOKLNCFJWML-WMZOPIPTSA-N 2 2 358.461 2.093 20 30 FEEDLP CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363870692 555203211 /nfs/dbraw/zinc/20/32/11/555203211.db2.gz WYDBHHZLGWEEMZ-SJLPKXTDSA-N 2 2 352.523 2.242 20 30 FEEDLP CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363870692 555203212 /nfs/dbraw/zinc/20/32/12/555203212.db2.gz WYDBHHZLGWEEMZ-SJLPKXTDSA-N 2 2 352.523 2.242 20 30 FEEDLP C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000369108020 556507307 /nfs/dbraw/zinc/50/73/07/556507307.db2.gz YSRSNTRWDDPZMC-WWDZGPRUSA-N 2 2 361.534 2.126 20 30 FEEDLP C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000369108020 556507308 /nfs/dbraw/zinc/50/73/08/556507308.db2.gz YSRSNTRWDDPZMC-WWDZGPRUSA-N 2 2 361.534 2.126 20 30 FEEDLP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000523581072 562215564 /nfs/dbraw/zinc/21/55/64/562215564.db2.gz ICYHDZVCWXTJCZ-FQEVSTJZSA-N 2 2 369.513 2.260 20 30 FEEDLP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000523581072 562215565 /nfs/dbraw/zinc/21/55/65/562215565.db2.gz ICYHDZVCWXTJCZ-FQEVSTJZSA-N 2 2 369.513 2.260 20 30 FEEDLP COCC[N@H+](C)CCOc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425224759 559692282 /nfs/dbraw/zinc/69/22/82/559692282.db2.gz LGJIXSBJUINDDR-UHFFFAOYSA-N 2 2 354.454 2.253 20 30 FEEDLP COCC[N@@H+](C)CCOc1cccc(CNc2cc(C)[nH+]cc2C#N)c1 ZINC000425224759 559692283 /nfs/dbraw/zinc/69/22/83/559692283.db2.gz LGJIXSBJUINDDR-UHFFFAOYSA-N 2 2 354.454 2.253 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547031 559708952 /nfs/dbraw/zinc/70/89/52/559708952.db2.gz WWNUUXFAOFNTEW-YLJYHZDGSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547031 559708953 /nfs/dbraw/zinc/70/89/53/559708953.db2.gz WWNUUXFAOFNTEW-YLJYHZDGSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547031 559708954 /nfs/dbraw/zinc/70/89/54/559708954.db2.gz WWNUUXFAOFNTEW-YLJYHZDGSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547031 559708955 /nfs/dbraw/zinc/70/89/55/559708955.db2.gz WWNUUXFAOFNTEW-YLJYHZDGSA-N 2 2 372.513 2.024 20 30 FEEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359261 562532614 /nfs/dbraw/zinc/53/26/14/562532614.db2.gz HCBQSBPDICDUDK-RBUKOAKNSA-N 2 2 357.502 2.296 20 30 FEEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359261 562532615 /nfs/dbraw/zinc/53/26/15/562532615.db2.gz HCBQSBPDICDUDK-RBUKOAKNSA-N 2 2 357.502 2.296 20 30 FEEDLP N#CCC1CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000541023035 562600647 /nfs/dbraw/zinc/60/06/47/562600647.db2.gz KZQYFERCZHSNPP-UHFFFAOYSA-N 2 2 356.470 2.083 20 30 FEEDLP C[NH+]1CCN(c2ccc(C=[NH+]Nc3ccc(-c4nn[nH]n4)cc3)cc2)CC1 ZINC000826038648 608218469 /nfs/dbraw/zinc/21/84/69/608218469.db2.gz SQDACIBKDNVYLN-UHFFFAOYSA-N 2 2 362.441 2.065 20 30 FEEDLP C#C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1 ZINC000811516332 674610771 /nfs/dbraw/zinc/61/07/71/674610771.db2.gz LPMZDDBVBOAQGI-GOSISDBHSA-N 2 2 355.873 2.346 20 30 FEEDLP CSCCCO[NH+]=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000174148615 672358548 /nfs/dbraw/zinc/35/85/48/672358548.db2.gz DKZHUGTWXMWYBG-UHFFFAOYSA-N 2 2 350.532 2.236 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N1CC[C@@]2(CCOC2)C1 ZINC000261974425 672906618 /nfs/dbraw/zinc/90/66/18/672906618.db2.gz NJKHZSGPMVYMBX-HNAYVOBHSA-N 2 2 362.543 2.183 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N1CC[C@@]2(CCOC2)C1 ZINC000261974425 672906621 /nfs/dbraw/zinc/90/66/21/672906621.db2.gz NJKHZSGPMVYMBX-HNAYVOBHSA-N 2 2 362.543 2.183 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330871 680647348 /nfs/dbraw/zinc/64/73/48/680647348.db2.gz VLQOGWQTYAZMLY-SQWLQELKSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046330871 680647350 /nfs/dbraw/zinc/64/73/50/680647350.db2.gz VLQOGWQTYAZMLY-SQWLQELKSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330871 680647351 /nfs/dbraw/zinc/64/73/51/680647351.db2.gz VLQOGWQTYAZMLY-SQWLQELKSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330871 680647354 /nfs/dbraw/zinc/64/73/54/680647354.db2.gz VLQOGWQTYAZMLY-SQWLQELKSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000845626412 681141989 /nfs/dbraw/zinc/14/19/89/681141989.db2.gz GRIJMIXTAJYWOL-RYQLBKOJSA-N 2 2 352.523 2.471 20 30 FEEDLP C=C[C@H](C)ONC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845626412 681141991 /nfs/dbraw/zinc/14/19/91/681141991.db2.gz GRIJMIXTAJYWOL-RYQLBKOJSA-N 2 2 352.523 2.471 20 30 FEEDLP N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)s1 ZINC000961949673 682104957 /nfs/dbraw/zinc/10/49/57/682104957.db2.gz PZEUHSJRHKDRTC-DCNYZXSGSA-N 2 2 355.467 2.131 20 30 FEEDLP N#Cc1ccc(C[NH2+]CC2CC(NC(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)s1 ZINC000961949673 682104958 /nfs/dbraw/zinc/10/49/58/682104958.db2.gz PZEUHSJRHKDRTC-DCNYZXSGSA-N 2 2 355.467 2.131 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000872177353 684924600 /nfs/dbraw/zinc/92/46/00/684924600.db2.gz HVLPRVHFPFKULX-CQSZACIVSA-N 2 2 362.865 2.416 20 30 FEEDLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884320948 687847663 /nfs/dbraw/zinc/84/76/63/687847663.db2.gz BGJSBNHCLFKLHO-HCMQPCSISA-N 2 2 358.511 2.093 20 30 FEEDLP C#CC[N@H+](C)CCC[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000894639655 689571963 /nfs/dbraw/zinc/57/19/63/689571963.db2.gz QKFJNZOWUDMIHH-UHFFFAOYSA-N 2 2 352.276 2.452 20 30 FEEDLP C#CC[N@@H+](C)CCC[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000894639655 689571968 /nfs/dbraw/zinc/57/19/68/689571968.db2.gz QKFJNZOWUDMIHH-UHFFFAOYSA-N 2 2 352.276 2.452 20 30 FEEDLP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001164685189 719713535 /nfs/dbraw/zinc/71/35/35/719713535.db2.gz RXXYBHUUQQKJCC-UHFFFAOYSA-N 2 2 363.465 2.287 20 30 FEEDLP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001164685189 719713542 /nfs/dbraw/zinc/71/35/42/719713542.db2.gz RXXYBHUUQQKJCC-UHFFFAOYSA-N 2 2 363.465 2.287 20 30 FEEDLP Cc1ccc(CC#N)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)[nH+]1 ZINC001164736906 720585379 /nfs/dbraw/zinc/58/53/79/720585379.db2.gz VPABSYOUXYBLOE-UHFFFAOYSA-N 2 2 350.470 2.311 20 30 FEEDLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@H]2C1 ZINC001164850130 720849723 /nfs/dbraw/zinc/84/97/23/720849723.db2.gz DMNDERRXXJBIEQ-AZUAARDMSA-N 2 2 366.465 2.280 20 30 FEEDLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@H]2C1 ZINC001164850130 720849724 /nfs/dbraw/zinc/84/97/24/720849724.db2.gz DMNDERRXXJBIEQ-AZUAARDMSA-N 2 2 366.465 2.280 20 30 FEEDLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]ccc5[nH]cc(C#N)c54)C[C@@H]3C2)cn1 ZINC001164773336 721182175 /nfs/dbraw/zinc/18/21/75/721182175.db2.gz WHTHXEVHRNFIEB-RDJZCZTQSA-N 2 2 361.453 2.126 20 30 FEEDLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]ccc5[nH]cc(C#N)c54)C[C@@H]3C2)cn1 ZINC001164773336 721182180 /nfs/dbraw/zinc/18/21/80/721182180.db2.gz WHTHXEVHRNFIEB-RDJZCZTQSA-N 2 2 361.453 2.126 20 30 FEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000042898206 540082632 /nfs/dbraw/zinc/08/26/32/540082632.db2.gz QIBPNDMIYQLTIP-UHFFFAOYSA-N 2 2 366.469 2.062 20 30 FEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000042898206 540082634 /nfs/dbraw/zinc/08/26/34/540082634.db2.gz QIBPNDMIYQLTIP-UHFFFAOYSA-N 2 2 366.469 2.062 20 30 FEEDLP CC[NH+](CC)CCCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000045550298 540216535 /nfs/dbraw/zinc/21/65/35/540216535.db2.gz FWLWWNSDRUVQSO-UHFFFAOYSA-N 2 2 357.502 2.117 20 30 FEEDLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(C#N)cc1 ZINC000046530476 540261087 /nfs/dbraw/zinc/26/10/87/540261087.db2.gz YAJOFYZZQIEOSS-UHFFFAOYSA-N 2 2 363.465 2.124 20 30 FEEDLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(C#N)cc1 ZINC000046530476 540261091 /nfs/dbraw/zinc/26/10/91/540261091.db2.gz YAJOFYZZQIEOSS-UHFFFAOYSA-N 2 2 363.465 2.124 20 30 FEEDLP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)CCO1 ZINC000067400141 541458552 /nfs/dbraw/zinc/45/85/52/541458552.db2.gz CTQUXSYFDLPUOT-INIZCTEOSA-N 2 2 356.470 2.072 20 30 FEEDLP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)CCO1 ZINC000067400141 541458555 /nfs/dbraw/zinc/45/85/55/541458555.db2.gz CTQUXSYFDLPUOT-INIZCTEOSA-N 2 2 356.470 2.072 20 30 FEEDLP C=CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000076736450 542319489 /nfs/dbraw/zinc/31/94/89/542319489.db2.gz HUEQYXUZMPZVFK-UHFFFAOYSA-N 2 2 357.498 2.164 20 30 FEEDLP C=CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000076736450 542319492 /nfs/dbraw/zinc/31/94/92/542319492.db2.gz HUEQYXUZMPZVFK-UHFFFAOYSA-N 2 2 357.498 2.164 20 30 FEEDLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000124860694 543847193 /nfs/dbraw/zinc/84/71/93/543847193.db2.gz XYZPQDRMYQAQGE-HNNXBMFYSA-N 2 2 355.442 2.413 20 30 FEEDLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000124860694 543847196 /nfs/dbraw/zinc/84/71/96/543847196.db2.gz XYZPQDRMYQAQGE-HNNXBMFYSA-N 2 2 355.442 2.413 20 30 FEEDLP N#Cc1ccc(-c2nnc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000075639554 324898107 /nfs/dbraw/zinc/89/81/07/324898107.db2.gz XTXGFAGBLCNXSO-UHFFFAOYSA-N 2 2 367.453 2.152 20 30 FEEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000075937855 324910393 /nfs/dbraw/zinc/91/03/93/324910393.db2.gz DWDAEJXIJXFBNC-OAHLLOKOSA-N 2 2 374.485 2.139 20 30 FEEDLP CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160086110 546006804 /nfs/dbraw/zinc/00/68/04/546006804.db2.gz YAZABPANRUUEFW-KSSFIOAISA-N 2 2 357.506 2.282 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)CC1 ZINC000171740151 546223663 /nfs/dbraw/zinc/22/36/63/546223663.db2.gz LSIQBXUNPOKCMJ-UHFFFAOYSA-N 2 2 372.513 2.043 20 30 FEEDLP C[NH+]1CCC(CNC(=O)c2ccccc2OCC#N)([NH+]2CCCCC2)CC1 ZINC000172752999 546266861 /nfs/dbraw/zinc/26/68/61/546266861.db2.gz GEVALSBUHQSXHZ-UHFFFAOYSA-N 2 2 370.497 2.269 20 30 FEEDLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 ZINC000173644413 546284526 /nfs/dbraw/zinc/28/45/26/546284526.db2.gz NJJNMVQWLLKOAD-SFHVURJKSA-N 2 2 372.513 2.331 20 30 FEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000480948463 561221024 /nfs/dbraw/zinc/22/10/24/561221024.db2.gz AXNCVMDIWXXOPJ-UXHICEINSA-N 2 2 363.546 2.445 20 30 FEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000480948463 561221025 /nfs/dbraw/zinc/22/10/25/561221025.db2.gz AXNCVMDIWXXOPJ-UXHICEINSA-N 2 2 363.546 2.445 20 30 FEEDLP Cc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000181664017 547355726 /nfs/dbraw/zinc/35/57/26/547355726.db2.gz XMAKZCTYDDQDHG-IBGZPJMESA-N 2 2 350.470 2.027 20 30 FEEDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc(C#N)n(C)c3)CC2)cc1 ZINC000190703397 548332508 /nfs/dbraw/zinc/33/25/08/548332508.db2.gz NSLWOMPBYILLCO-UHFFFAOYSA-N 2 2 367.497 2.207 20 30 FEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000245523712 548938112 /nfs/dbraw/zinc/93/81/12/548938112.db2.gz NAWYXHIMUBEXHO-HOJAQTOUSA-N 2 2 352.482 2.470 20 30 FEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000245523712 548938115 /nfs/dbraw/zinc/93/81/15/548938115.db2.gz NAWYXHIMUBEXHO-HOJAQTOUSA-N 2 2 352.482 2.470 20 30 FEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000245523712 548938117 /nfs/dbraw/zinc/93/81/17/548938117.db2.gz NAWYXHIMUBEXHO-HOJAQTOUSA-N 2 2 352.482 2.470 20 30 FEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@@H]21 ZINC000245523712 548938120 /nfs/dbraw/zinc/93/81/20/548938120.db2.gz NAWYXHIMUBEXHO-HOJAQTOUSA-N 2 2 352.482 2.470 20 30 FEEDLP C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246625260 549178031 /nfs/dbraw/zinc/17/80/31/549178031.db2.gz NPPCDYAULFLIFR-PZJWPPBQSA-N 2 2 374.525 2.199 20 30 FEEDLP C=CCc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246625260 549178034 /nfs/dbraw/zinc/17/80/34/549178034.db2.gz NPPCDYAULFLIFR-PZJWPPBQSA-N 2 2 374.525 2.199 20 30 FEEDLP CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261931031 549771451 /nfs/dbraw/zinc/77/14/51/549771451.db2.gz BIOZPSMARGNFAK-BXWFABGCSA-N 2 2 359.474 2.232 20 30 FEEDLP CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261995299 549778197 /nfs/dbraw/zinc/77/81/97/549778197.db2.gz SFVAGTFEMFHHRU-BEFAXECRSA-N 2 2 371.533 2.400 20 30 FEEDLP C=C(C)CNC(=[NH2+])NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000262356057 549813519 /nfs/dbraw/zinc/81/35/19/549813519.db2.gz HNIZVIXYGUPYEK-UHFFFAOYSA-N 2 2 350.264 2.428 20 30 FEEDLP N#CC1(c2ccccc2)CCC([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000271093089 550339580 /nfs/dbraw/zinc/33/95/80/550339580.db2.gz XFRBCHUHSVVQLJ-SCCNAQOGSA-N 2 2 354.498 2.320 20 30 FEEDLP N#CC1(c2ccccc2)CCC([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000271093089 550339581 /nfs/dbraw/zinc/33/95/81/550339581.db2.gz XFRBCHUHSVVQLJ-SCCNAQOGSA-N 2 2 354.498 2.320 20 30 FEEDLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271810863 550403498 /nfs/dbraw/zinc/40/34/98/550403498.db2.gz AQGFYSOOLXWGGY-QFBILLFUSA-N 2 2 358.486 2.182 20 30 FEEDLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271810863 550403499 /nfs/dbraw/zinc/40/34/99/550403499.db2.gz AQGFYSOOLXWGGY-QFBILLFUSA-N 2 2 358.486 2.182 20 30 FEEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1C#N ZINC000287554954 552018741 /nfs/dbraw/zinc/01/87/41/552018741.db2.gz AULYRXNOTPWDCU-UHFFFAOYSA-N 2 2 365.319 2.390 20 30 FEEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)cc1C#N ZINC000287554954 552018742 /nfs/dbraw/zinc/01/87/42/552018742.db2.gz AULYRXNOTPWDCU-UHFFFAOYSA-N 2 2 365.319 2.390 20 30 FEEDLP CCc1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C#N)c1CC ZINC000301817464 553682457 /nfs/dbraw/zinc/68/24/57/553682457.db2.gz FFVWSSXEYQBEPW-SJPCQFCGSA-N 2 2 368.529 2.220 20 30 FEEDLP CCc1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(C#N)c1CC ZINC000301817464 553682458 /nfs/dbraw/zinc/68/24/58/553682458.db2.gz FFVWSSXEYQBEPW-SJPCQFCGSA-N 2 2 368.529 2.220 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000328954402 553852934 /nfs/dbraw/zinc/85/29/34/553852934.db2.gz MVMFQZPXTACSTE-KZNAEPCWSA-N 2 2 360.502 2.467 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000328954402 553852938 /nfs/dbraw/zinc/85/29/38/553852938.db2.gz MVMFQZPXTACSTE-KZNAEPCWSA-N 2 2 360.502 2.467 20 30 FEEDLP CN(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1c[nH+]cn1C ZINC000329180387 553896762 /nfs/dbraw/zinc/89/67/62/553896762.db2.gz DJYXCVYGEPOMJH-QGZVFWFLSA-N 2 2 363.506 2.014 20 30 FEEDLP CC(C)[N@@H+]1CCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329336621 553927561 /nfs/dbraw/zinc/92/75/61/553927561.db2.gz LWORZLRRPMXUQQ-KRWDZBQOSA-N 2 2 363.506 2.218 20 30 FEEDLP CC(C)[N@H+]1CCCN(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC1 ZINC000329336621 553927564 /nfs/dbraw/zinc/92/75/64/553927564.db2.gz LWORZLRRPMXUQQ-KRWDZBQOSA-N 2 2 363.506 2.218 20 30 FEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@H]1C ZINC000329606083 553975709 /nfs/dbraw/zinc/97/57/09/553975709.db2.gz ZQDYPSMDSSWAKG-ZACQAIPSSA-N 2 2 352.523 2.149 20 30 FEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@H]1C ZINC000329606083 553975711 /nfs/dbraw/zinc/97/57/11/553975711.db2.gz ZQDYPSMDSSWAKG-ZACQAIPSSA-N 2 2 352.523 2.149 20 30 FEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@H]1C ZINC000329606083 553975713 /nfs/dbraw/zinc/97/57/13/553975713.db2.gz ZQDYPSMDSSWAKG-ZACQAIPSSA-N 2 2 352.523 2.149 20 30 FEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@H]1C ZINC000329606083 553975715 /nfs/dbraw/zinc/97/57/15/553975715.db2.gz ZQDYPSMDSSWAKG-ZACQAIPSSA-N 2 2 352.523 2.149 20 30 FEEDLP Cc1ccn2cc(CNC(=O)N3CC[N@H+](C4CCOCC4)C[C@@H]3C)[nH+]c2c1 ZINC000330269945 554096638 /nfs/dbraw/zinc/09/66/38/554096638.db2.gz SQBQUDFHMFOSOZ-INIZCTEOSA-N 2 2 371.485 2.242 20 30 FEEDLP Cc1ccn2cc(CNC(=O)N3CC[N@@H+](C4CCOCC4)C[C@@H]3C)[nH+]c2c1 ZINC000330269945 554096640 /nfs/dbraw/zinc/09/66/40/554096640.db2.gz SQBQUDFHMFOSOZ-INIZCTEOSA-N 2 2 371.485 2.242 20 30 FEEDLP C[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)[NH+]1CCC(C)CC1 ZINC000330322016 554105063 /nfs/dbraw/zinc/10/50/63/554105063.db2.gz GMNZTNKSYFYMFL-JFIYKMOQSA-N 2 2 363.506 2.264 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000331594546 554291291 /nfs/dbraw/zinc/29/12/91/554291291.db2.gz NDLSHIGTRXHQSV-SFHVURJKSA-N 2 2 361.534 2.413 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000331594546 554291292 /nfs/dbraw/zinc/29/12/92/554291292.db2.gz NDLSHIGTRXHQSV-SFHVURJKSA-N 2 2 361.534 2.413 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000363528966 555129460 /nfs/dbraw/zinc/12/94/60/555129460.db2.gz LYXGROMTNGYEJH-IBGZPJMESA-N 2 2 362.562 2.068 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372478312 557480993 /nfs/dbraw/zinc/48/09/93/557480993.db2.gz QBXIMHMMHYDTLH-INDMIFKZSA-N 2 2 351.535 2.279 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372478312 557480995 /nfs/dbraw/zinc/48/09/95/557480995.db2.gz QBXIMHMMHYDTLH-INDMIFKZSA-N 2 2 351.535 2.279 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000372728954 557548704 /nfs/dbraw/zinc/54/87/04/557548704.db2.gz JZAGAZPNEVRTEM-UYAOXDASSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000372728954 557548707 /nfs/dbraw/zinc/54/87/07/557548707.db2.gz JZAGAZPNEVRTEM-UYAOXDASSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000372728954 557548709 /nfs/dbraw/zinc/54/87/09/557548709.db2.gz JZAGAZPNEVRTEM-UYAOXDASSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000372728954 557548710 /nfs/dbraw/zinc/54/87/10/557548710.db2.gz JZAGAZPNEVRTEM-UYAOXDASSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC3)CC2)cc1 ZINC000375301139 558006382 /nfs/dbraw/zinc/00/63/82/558006382.db2.gz FDOYWYIYLUSSSB-TZIWHRDSSA-N 2 2 352.482 2.169 20 30 FEEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3C[N@@H+]4CCCC[C@@H]4CO3)CC2)cc1 ZINC000375896760 558095652 /nfs/dbraw/zinc/09/56/52/558095652.db2.gz ZUOBGTDPYJSCLF-NHCUHLMSSA-N 2 2 354.498 2.370 20 30 FEEDLP N#Cc1ccc(N2CCC([NH2+]C[C@@H]3C[N@H+]4CCCC[C@@H]4CO3)CC2)cc1 ZINC000375896760 558095653 /nfs/dbraw/zinc/09/56/53/558095653.db2.gz ZUOBGTDPYJSCLF-NHCUHLMSSA-N 2 2 354.498 2.370 20 30 FEEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000425539643 559708566 /nfs/dbraw/zinc/70/85/66/559708566.db2.gz UDNKISVWGWLQPD-QGZVFWFLSA-N 2 2 366.465 2.488 20 30 FEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000425539643 559708567 /nfs/dbraw/zinc/70/85/67/559708567.db2.gz UDNKISVWGWLQPD-QGZVFWFLSA-N 2 2 366.465 2.488 20 30 FEEDLP CC1([NH+]2CCOCC2)CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000528729625 562344531 /nfs/dbraw/zinc/34/45/31/562344531.db2.gz IITGEYNFRNJEMO-UHFFFAOYSA-N 2 2 362.499 2.135 20 30 FEEDLP C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167072351 672320145 /nfs/dbraw/zinc/32/01/45/672320145.db2.gz VLXCFMZWNWFRBX-ROUUACIJSA-N 2 2 357.564 2.161 20 30 FEEDLP C=CCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167072351 672320146 /nfs/dbraw/zinc/32/01/46/672320146.db2.gz VLXCFMZWNWFRBX-ROUUACIJSA-N 2 2 357.564 2.161 20 30 FEEDLP COCCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000171144503 672329877 /nfs/dbraw/zinc/32/98/77/672329877.db2.gz KFEXKYMCTHASHI-KRWDZBQOSA-N 2 2 358.511 2.398 20 30 FEEDLP COCCNC(=[NH2+])NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000171144503 672329879 /nfs/dbraw/zinc/32/98/79/672329879.db2.gz KFEXKYMCTHASHI-KRWDZBQOSA-N 2 2 358.511 2.398 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NC[C@]1(C)CCCO1 ZINC000261831859 672904138 /nfs/dbraw/zinc/90/41/38/672904138.db2.gz VOJIGCZLFYSXPC-KSSFIOAISA-N 2 2 350.532 2.229 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NC[C@]1(C)CCCO1 ZINC000261831859 672904142 /nfs/dbraw/zinc/90/41/42/672904142.db2.gz VOJIGCZLFYSXPC-KSSFIOAISA-N 2 2 350.532 2.229 20 30 FEEDLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000614621898 676184049 /nfs/dbraw/zinc/18/40/49/676184049.db2.gz VAMPATLWQJCUHL-QGZVFWFLSA-N 2 2 360.889 2.452 20 30 FEEDLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000614621898 676184050 /nfs/dbraw/zinc/18/40/50/676184050.db2.gz VAMPATLWQJCUHL-QGZVFWFLSA-N 2 2 360.889 2.452 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)s1 ZINC001026896739 680352512 /nfs/dbraw/zinc/35/25/12/680352512.db2.gz FPKOKEHETAHHRH-APHBMKBZSA-N 2 2 355.467 2.085 20 30 FEEDLP N#Cc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)s1 ZINC001026896739 680352517 /nfs/dbraw/zinc/35/25/17/680352517.db2.gz FPKOKEHETAHHRH-APHBMKBZSA-N 2 2 355.467 2.085 20 30 FEEDLP C[C@H](C#N)CSc1ccccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926027136 683065362 /nfs/dbraw/zinc/06/53/62/683065362.db2.gz UYDDDSMFYAJFMY-CQSZACIVSA-N 2 2 361.515 2.483 20 30 FEEDLP CN(C)c1ccc(C=[NH+]NCCC[NH+]2CCOCC2)c(C(F)(F)F)c1 ZINC000799488574 683460480 /nfs/dbraw/zinc/46/04/80/683460480.db2.gz IXFFHOBDHNALCM-UHFFFAOYSA-N 2 2 358.408 2.417 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000876785242 686268216 /nfs/dbraw/zinc/26/82/16/686268216.db2.gz ROAMWZAYVZVLNP-GOSISDBHSA-N 3 2 370.969 2.111 20 30 FEEDLP N#Cc1c[nH]c2cc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164736627 720576216 /nfs/dbraw/zinc/57/62/16/720576216.db2.gz PMCSEAFABRUQJY-UHFFFAOYSA-N 2 2 361.453 2.290 20 30 FEEDLP Cc1ccc(CC#N)c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164763213 721209111 /nfs/dbraw/zinc/20/91/11/721209111.db2.gz DSLSEUPYYNSKMR-RTBURBONSA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1ccc(CC#N)c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164763213 721209115 /nfs/dbraw/zinc/20/91/15/721209115.db2.gz DSLSEUPYYNSKMR-RTBURBONSA-N 2 2 350.470 2.148 20 30 FEEDLP N#Cc1c[nH]c2cc[nH+]c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c12 ZINC001164789008 721422331 /nfs/dbraw/zinc/42/23/31/721422331.db2.gz UFCJGNZXABROAG-KBPBESRZSA-N 2 2 350.451 2.459 20 30 FEEDLP CC[N@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000066962076 541401127 /nfs/dbraw/zinc/40/11/27/541401127.db2.gz OUFLYJMYHJMVET-QGZVFWFLSA-N 2 2 372.513 2.168 20 30 FEEDLP CC[N@@H+](CC(=O)NCC(C)(C)[NH+]1CCOCC1)[C@H](C)c1ccc(C#N)cc1 ZINC000066962076 541401132 /nfs/dbraw/zinc/40/11/32/541401132.db2.gz OUFLYJMYHJMVET-QGZVFWFLSA-N 2 2 372.513 2.168 20 30 FEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000089926636 542774590 /nfs/dbraw/zinc/77/45/90/542774590.db2.gz AFJLKHJEZATNLQ-MRXNPFEDSA-N 2 2 373.526 2.207 20 30 FEEDLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000171613183 327148414 /nfs/dbraw/zinc/14/84/14/327148414.db2.gz ZKGMCUSVOPELTB-UHFFFAOYSA-N 2 2 365.437 2.113 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000269296101 329505131 /nfs/dbraw/zinc/50/51/31/329505131.db2.gz APCKKNDUYGNBPS-UHFFFAOYSA-N 2 2 357.458 2.461 20 30 FEEDLP C[C@@H](C(=O)Nc1ncccn1)[N@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328636925 524308999 /nfs/dbraw/zinc/30/89/99/524308999.db2.gz OIWDXMRXCASHBO-YQQAZPJKSA-N 2 2 371.489 2.202 20 30 FEEDLP C[C@@H](C(=O)Nc1ncccn1)[N@@H+](C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000328636925 524309006 /nfs/dbraw/zinc/30/90/06/524309006.db2.gz OIWDXMRXCASHBO-YQQAZPJKSA-N 2 2 371.489 2.202 20 30 FEEDLP C[C@@H](C(=O)Nc1ncccn1)[NH+](C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000328636925 524309013 /nfs/dbraw/zinc/30/90/13/524309013.db2.gz OIWDXMRXCASHBO-YQQAZPJKSA-N 2 2 371.489 2.202 20 30 FEEDLP C[C@@H](C(=O)Nc1ncccn1)[NH+](C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000328636925 524309016 /nfs/dbraw/zinc/30/90/16/524309016.db2.gz OIWDXMRXCASHBO-YQQAZPJKSA-N 2 2 371.489 2.202 20 30 FEEDLP C=CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000171953514 546231778 /nfs/dbraw/zinc/23/17/78/546231778.db2.gz IUDREXWFJIAABV-UHFFFAOYSA-N 2 2 369.509 2.164 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173398268 546280328 /nfs/dbraw/zinc/28/03/28/546280328.db2.gz DNPJLJDPRJYFNZ-HNNXBMFYSA-N 2 2 351.516 2.238 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180395273 547100613 /nfs/dbraw/zinc/10/06/13/547100613.db2.gz MWQADIYNTGNFOS-UHFFFAOYSA-N 2 2 354.498 2.340 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000180395273 547100616 /nfs/dbraw/zinc/10/06/16/547100616.db2.gz MWQADIYNTGNFOS-UHFFFAOYSA-N 2 2 354.498 2.340 20 30 FEEDLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(C#N)c1 ZINC000181982332 547417415 /nfs/dbraw/zinc/41/74/15/547417415.db2.gz LRDOUNAWISOCAM-KRWDZBQOSA-N 2 2 363.465 2.343 20 30 FEEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000182805721 547555140 /nfs/dbraw/zinc/55/51/40/547555140.db2.gz UXGSFROGCODYRI-UYAOXDASSA-N 2 2 352.482 2.471 20 30 FEEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000182805721 547555144 /nfs/dbraw/zinc/55/51/44/547555144.db2.gz UXGSFROGCODYRI-UYAOXDASSA-N 2 2 352.482 2.471 20 30 FEEDLP C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183794248 547720414 /nfs/dbraw/zinc/72/04/14/547720414.db2.gz FJKBVNGAOGMMIE-IBGZPJMESA-N 2 2 368.481 2.075 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)CC1 ZINC000186439848 548135692 /nfs/dbraw/zinc/13/56/92/548135692.db2.gz MTRVOFNYEAPIDW-UHFFFAOYSA-N 2 2 357.502 2.344 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249439238 549592344 /nfs/dbraw/zinc/59/23/44/549592344.db2.gz LRFDXEOEUVOULB-LPHOPBHVSA-N 2 2 358.486 2.223 20 30 FEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249439238 549592345 /nfs/dbraw/zinc/59/23/45/549592345.db2.gz LRFDXEOEUVOULB-LPHOPBHVSA-N 2 2 358.486 2.223 20 30 FEEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262447685 549820368 /nfs/dbraw/zinc/82/03/68/549820368.db2.gz JFKOENBYNUFNKP-INIZCTEOSA-N 2 2 365.485 2.065 20 30 FEEDLP CCOc1ccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267008393 550026873 /nfs/dbraw/zinc/02/68/73/550026873.db2.gz LHJCUVICHUIKOM-UHFFFAOYSA-N 2 2 370.453 2.423 20 30 FEEDLP CC(=O)N1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000279797904 550930070 /nfs/dbraw/zinc/93/00/70/550930070.db2.gz NBMBMNSIRMKFDB-FQEVSTJZSA-N 2 2 354.498 2.371 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292195765 552703291 /nfs/dbraw/zinc/70/32/91/552703291.db2.gz RTXQMHXCAMAZKG-LAUBAEHRSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292195765 552703293 /nfs/dbraw/zinc/70/32/93/552703293.db2.gz RTXQMHXCAMAZKG-LAUBAEHRSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292195765 552703294 /nfs/dbraw/zinc/70/32/94/552703294.db2.gz RTXQMHXCAMAZKG-LAUBAEHRSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292195765 552703296 /nfs/dbraw/zinc/70/32/96/552703296.db2.gz RTXQMHXCAMAZKG-LAUBAEHRSA-N 2 2 370.497 2.358 20 30 FEEDLP CC1(C)C[N@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)CCO1 ZINC000328613700 553796203 /nfs/dbraw/zinc/79/62/03/553796203.db2.gz QOJJAAKSTBIKHB-SFHVURJKSA-N 2 2 366.550 2.398 20 30 FEEDLP CC1(C)C[N@@H+](CCNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)CCO1 ZINC000328613700 553796205 /nfs/dbraw/zinc/79/62/05/553796205.db2.gz QOJJAAKSTBIKHB-SFHVURJKSA-N 2 2 366.550 2.398 20 30 FEEDLP CC1(C)C[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000328613700 553796207 /nfs/dbraw/zinc/79/62/07/553796207.db2.gz QOJJAAKSTBIKHB-SFHVURJKSA-N 2 2 366.550 2.398 20 30 FEEDLP CC1(C)C[NH+](CCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000328613700 553796209 /nfs/dbraw/zinc/79/62/09/553796209.db2.gz QOJJAAKSTBIKHB-SFHVURJKSA-N 2 2 366.550 2.398 20 30 FEEDLP CC[NH+]1CCN(C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328786352 553822395 /nfs/dbraw/zinc/82/23/95/553822395.db2.gz OPDWMOIVQWIOGO-QGZVFWFLSA-N 2 2 361.490 2.022 20 30 FEEDLP CC[NH+]1CCN(C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328786352 553822396 /nfs/dbraw/zinc/82/23/96/553822396.db2.gz OPDWMOIVQWIOGO-QGZVFWFLSA-N 2 2 361.490 2.022 20 30 FEEDLP CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328940854 553849572 /nfs/dbraw/zinc/84/95/72/553849572.db2.gz FDBOOPAYJWAGBJ-CEXWTWQISA-N 2 2 365.518 2.086 20 30 FEEDLP CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328940854 553849573 /nfs/dbraw/zinc/84/95/73/553849573.db2.gz FDBOOPAYJWAGBJ-CEXWTWQISA-N 2 2 365.518 2.086 20 30 FEEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)[C@@H]2C1 ZINC000329303444 553921355 /nfs/dbraw/zinc/92/13/55/553921355.db2.gz XHLYROKZVJXDGM-RTBURBONSA-N 2 2 353.470 2.371 20 30 FEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000368065187 556209323 /nfs/dbraw/zinc/20/93/23/556209323.db2.gz SKAVKAZYMDTOEX-UHFFFAOYSA-N 2 2 364.449 2.421 20 30 FEEDLP C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369372559 556583567 /nfs/dbraw/zinc/58/35/67/556583567.db2.gz JZVRRBUBYUNKDW-GOSISDBHSA-N 2 2 372.513 2.219 20 30 FEEDLP C=CCOc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369372559 556583569 /nfs/dbraw/zinc/58/35/69/556583569.db2.gz JZVRRBUBYUNKDW-GOSISDBHSA-N 2 2 372.513 2.219 20 30 FEEDLP CC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424178530 559656916 /nfs/dbraw/zinc/65/69/16/559656916.db2.gz WVXWKXIGWKOIHE-HLLBOEOZSA-N 2 2 368.403 2.377 20 30 FEEDLP CC[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424178530 559656917 /nfs/dbraw/zinc/65/69/17/559656917.db2.gz WVXWKXIGWKOIHE-HLLBOEOZSA-N 2 2 368.403 2.377 20 30 FEEDLP C=CCC1(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCOCC1 ZINC000424679549 559673485 /nfs/dbraw/zinc/67/34/85/559673485.db2.gz BAAXFKLGANDAAR-UHFFFAOYSA-N 2 2 363.546 2.426 20 30 FEEDLP C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000425720641 559715902 /nfs/dbraw/zinc/71/59/02/559715902.db2.gz DTDUEVBYQDYAMW-MRXNPFEDSA-N 2 2 357.502 2.287 20 30 FEEDLP C[C@@H]1CN(Cc2c(C#N)cccc2[N+](=O)[O-])CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000459376169 560683179 /nfs/dbraw/zinc/68/31/79/560683179.db2.gz QZDMPTPHUJDQIJ-OAHLLOKOSA-N 2 2 357.458 2.067 20 30 FEEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601970136 567890469 /nfs/dbraw/zinc/89/04/69/567890469.db2.gz YJAZOXBBRFSJLG-SFTDATJTSA-N 2 2 358.530 2.227 20 30 FEEDLP CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601970136 567890470 /nfs/dbraw/zinc/89/04/70/567890470.db2.gz YJAZOXBBRFSJLG-SFTDATJTSA-N 2 2 358.530 2.227 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc(Br)cc3C#N)C2)CC1 ZINC000590690088 672602333 /nfs/dbraw/zinc/60/23/33/672602333.db2.gz PUOWBUUOGUWJKT-AWEZNQCLSA-N 2 2 364.291 2.296 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc(Br)cc3C#N)C2)CC1 ZINC000590690088 672602336 /nfs/dbraw/zinc/60/23/36/672602336.db2.gz PUOWBUUOGUWJKT-AWEZNQCLSA-N 2 2 364.291 2.296 20 30 FEEDLP C[NH+]=C(NC[C@@H]1CCCS1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000261959862 672906176 /nfs/dbraw/zinc/90/61/76/672906176.db2.gz JVJRFUDDPBUWNQ-INIZCTEOSA-N 2 2 354.564 2.082 20 30 FEEDLP Cc1cc(Br)cn2cc(CCNC(=[NH2+])NC3CCC3)[nH+]c12 ZINC000263057397 672926757 /nfs/dbraw/zinc/92/67/57/672926757.db2.gz FDRGEAKNOLZJPL-UHFFFAOYSA-N 2 2 350.264 2.405 20 30 FEEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093821056 542942789 /nfs/dbraw/zinc/94/27/89/542942789.db2.gz LZZKMZUSVADJAG-HXUWFJFHSA-N 2 2 370.497 2.108 20 30 FEEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093821056 542942792 /nfs/dbraw/zinc/94/27/92/542942792.db2.gz LZZKMZUSVADJAG-HXUWFJFHSA-N 2 2 370.497 2.108 20 30 FEEDLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093821057 542942816 /nfs/dbraw/zinc/94/28/16/542942816.db2.gz LZZKMZUSVADJAG-FQEVSTJZSA-N 2 2 370.497 2.108 20 30 FEEDLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000093821057 542942817 /nfs/dbraw/zinc/94/28/17/542942817.db2.gz LZZKMZUSVADJAG-FQEVSTJZSA-N 2 2 370.497 2.108 20 30 FEEDLP [O-]C(NCCn1cc[nH+]c1)=[NH+]C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000328654658 527585419 /nfs/dbraw/zinc/58/54/19/527585419.db2.gz XOZZPTIRUCNIAE-KBPBESRZSA-N 2 2 351.451 2.061 20 30 FEEDLP [O-]C(NCCn1cc[nH+]c1)=[NH+]C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000328654658 527585423 /nfs/dbraw/zinc/58/54/23/527585423.db2.gz XOZZPTIRUCNIAE-KBPBESRZSA-N 2 2 351.451 2.061 20 30 FEEDLP CN(C)c1nc(N2CC[NH+](CCCOc3cccc(C#N)c3)CC2)cc[nH+]1 ZINC000477287912 561141291 /nfs/dbraw/zinc/14/12/91/561141291.db2.gz XGTJJVKPLGAHRG-UHFFFAOYSA-N 2 2 366.469 2.005 20 30 FEEDLP CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160086248 546006230 /nfs/dbraw/zinc/00/62/30/546006230.db2.gz YAZABPANRUUEFW-KDOFPFPSSA-N 2 2 357.506 2.282 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000172229875 546240998 /nfs/dbraw/zinc/24/09/98/546240998.db2.gz FGZCUYRSRXRBEB-KRWDZBQOSA-N 2 2 357.502 2.120 20 30 FEEDLP C[NH+]1CCC(CNC(=O)c2cccc(CC#N)c2)([NH+]2CCCCC2)CC1 ZINC000172750821 546266971 /nfs/dbraw/zinc/26/69/71/546266971.db2.gz MKDVTWWGTVBXHH-UHFFFAOYSA-N 2 2 354.498 2.433 20 30 FEEDLP C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000184306067 547804400 /nfs/dbraw/zinc/80/44/00/547804400.db2.gz YYJDPTKSGOLZIY-MRXNPFEDSA-N 2 2 373.501 2.467 20 30 FEEDLP C[C@H](C#N)Oc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000184306067 547804406 /nfs/dbraw/zinc/80/44/06/547804406.db2.gz YYJDPTKSGOLZIY-MRXNPFEDSA-N 2 2 373.501 2.467 20 30 FEEDLP COc1ccc(CCNC(=[NH2+])NCc2cccnc2-n2cc[nH+]c2C)cc1 ZINC000264076451 549976259 /nfs/dbraw/zinc/97/62/59/549976259.db2.gz FXGLDIATOZGMAB-UHFFFAOYSA-N 2 2 364.453 2.231 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000266836732 550024588 /nfs/dbraw/zinc/02/45/88/550024588.db2.gz MHWQGWUNGZZKFV-UHFFFAOYSA-N 2 2 357.498 2.289 20 30 FEEDLP C[C@H](NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000267033238 550027277 /nfs/dbraw/zinc/02/72/77/550027277.db2.gz WGFDOWVZZFXARM-ZDUSSCGKSA-N 2 2 360.483 2.324 20 30 FEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411103 550886991 /nfs/dbraw/zinc/88/69/91/550886991.db2.gz NVHOSNFTLMBHIF-VQIMIIECSA-N 2 2 350.470 2.385 20 30 FEEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411103 550886992 /nfs/dbraw/zinc/88/69/92/550886992.db2.gz NVHOSNFTLMBHIF-VQIMIIECSA-N 2 2 350.470 2.385 20 30 FEEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411103 550886994 /nfs/dbraw/zinc/88/69/94/550886994.db2.gz NVHOSNFTLMBHIF-VQIMIIECSA-N 2 2 350.470 2.385 20 30 FEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@@H]2C1 ZINC000279411103 550886995 /nfs/dbraw/zinc/88/69/95/550886995.db2.gz NVHOSNFTLMBHIF-VQIMIIECSA-N 2 2 350.470 2.385 20 30 FEEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000297509515 553301832 /nfs/dbraw/zinc/30/18/32/553301832.db2.gz OYYMDWYJIDIQOA-VQTJNVASSA-N 2 2 365.481 2.366 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000297509515 553301833 /nfs/dbraw/zinc/30/18/33/553301833.db2.gz OYYMDWYJIDIQOA-VQTJNVASSA-N 2 2 365.481 2.366 20 30 FEEDLP Cc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1C#N ZINC000603123125 553712977 /nfs/dbraw/zinc/71/29/77/553712977.db2.gz XHVVCAVHARALHY-JWTNVVGKSA-N 2 2 368.485 2.036 20 30 FEEDLP Cc1cc(NC(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1C#N ZINC000603123125 553712979 /nfs/dbraw/zinc/71/29/79/553712979.db2.gz XHVVCAVHARALHY-JWTNVVGKSA-N 2 2 368.485 2.036 20 30 FEEDLP C[NH+]1CCC(CNC(=O)c2cn3c(n2)CCCC3)([NH+]2CCCCC2)CC1 ZINC000328731594 553813667 /nfs/dbraw/zinc/81/36/67/553813667.db2.gz WZKHROOYBVMSLC-UHFFFAOYSA-N 2 2 359.518 2.474 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000332687084 554496668 /nfs/dbraw/zinc/49/66/68/554496668.db2.gz ODBSEGCBCGQYRI-YWZLYKJASA-N 2 2 355.486 2.207 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000332687084 554496671 /nfs/dbraw/zinc/49/66/71/554496671.db2.gz ODBSEGCBCGQYRI-YWZLYKJASA-N 2 2 355.486 2.207 20 30 FEEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)O1 ZINC000360790762 554889780 /nfs/dbraw/zinc/88/97/80/554889780.db2.gz CIYABQREDCZLMU-LMYCIYFBSA-N 2 2 369.509 2.235 20 30 FEEDLP N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)O1 ZINC000360790762 554889782 /nfs/dbraw/zinc/88/97/82/554889782.db2.gz CIYABQREDCZLMU-LMYCIYFBSA-N 2 2 369.509 2.235 20 30 FEEDLP Cc1cccc(NC2CC[NH+](CC(=O)NCc3ccc(C#N)cc3)CC2)[nH+]1 ZINC000363244280 555062194 /nfs/dbraw/zinc/06/21/94/555062194.db2.gz IEYUAQXCKCHBAR-UHFFFAOYSA-N 2 2 363.465 2.454 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1 ZINC000363764212 555181057 /nfs/dbraw/zinc/18/10/57/555181057.db2.gz USWJKQFLZQXDKH-QGZVFWFLSA-N 2 2 370.497 2.000 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)CC1 ZINC000363764212 555181058 /nfs/dbraw/zinc/18/10/58/555181058.db2.gz USWJKQFLZQXDKH-QGZVFWFLSA-N 2 2 370.497 2.000 20 30 FEEDLP C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000512516190 561908089 /nfs/dbraw/zinc/90/80/89/561908089.db2.gz BPTZNGVZDMCVPR-GOSISDBHSA-N 2 2 361.534 2.395 20 30 FEEDLP C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000512516190 561908091 /nfs/dbraw/zinc/90/80/91/561908091.db2.gz BPTZNGVZDMCVPR-GOSISDBHSA-N 2 2 361.534 2.395 20 30 FEEDLP C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367454275 556054258 /nfs/dbraw/zinc/05/42/58/556054258.db2.gz NZGHKQOCLPSXLN-LXXRFIIISA-N 2 2 352.482 2.198 20 30 FEEDLP C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367454275 556054262 /nfs/dbraw/zinc/05/42/62/556054262.db2.gz NZGHKQOCLPSXLN-LXXRFIIISA-N 2 2 352.482 2.198 20 30 FEEDLP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369519192 556618565 /nfs/dbraw/zinc/61/85/65/556618565.db2.gz PIEOZYFNINHHQI-BZSNNMDCSA-N 2 2 373.545 2.023 20 30 FEEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377641561 558384464 /nfs/dbraw/zinc/38/44/64/558384464.db2.gz OEWYNWOLCFPGJX-HXUWFJFHSA-N 2 2 354.498 2.118 20 30 FEEDLP CN(C(=O)CCc1ccc(C#N)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377641561 558384465 /nfs/dbraw/zinc/38/44/65/558384465.db2.gz OEWYNWOLCFPGJX-HXUWFJFHSA-N 2 2 354.498 2.118 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377766673 558415645 /nfs/dbraw/zinc/41/56/45/558415645.db2.gz LEKQGMLWXYUITK-VQTJNVASSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377766673 558415646 /nfs/dbraw/zinc/41/56/46/558415646.db2.gz LEKQGMLWXYUITK-VQTJNVASSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377766673 558415647 /nfs/dbraw/zinc/41/56/47/558415647.db2.gz LEKQGMLWXYUITK-VQTJNVASSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377766673 558415649 /nfs/dbraw/zinc/41/56/49/558415649.db2.gz LEKQGMLWXYUITK-VQTJNVASSA-N 2 2 354.498 2.202 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)cc1 ZINC000418299045 559396783 /nfs/dbraw/zinc/39/67/83/559396783.db2.gz RPAZLSXICVJFFE-UHFFFAOYSA-N 2 2 355.486 2.047 20 30 FEEDLP CN(C)c1nc(N2CC[NH+](CC#Cc3cccc(Cl)c3)CC2)cc[nH+]1 ZINC000438062504 559973628 /nfs/dbraw/zinc/97/36/28/559973628.db2.gz DWHOFGYXDRLRNV-UHFFFAOYSA-N 2 2 355.873 2.370 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC1 ZINC000449498391 560231890 /nfs/dbraw/zinc/23/18/90/560231890.db2.gz LGFMTCZRQHTHMT-KRWDZBQOSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)s3)C2)CC1 ZINC000449498391 560231891 /nfs/dbraw/zinc/23/18/91/560231891.db2.gz LGFMTCZRQHTHMT-KRWDZBQOSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000449498391 560231892 /nfs/dbraw/zinc/23/18/92/560231892.db2.gz LGFMTCZRQHTHMT-KRWDZBQOSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)CC1 ZINC000449498391 560231893 /nfs/dbraw/zinc/23/18/93/560231893.db2.gz LGFMTCZRQHTHMT-KRWDZBQOSA-N 2 2 360.527 2.386 20 30 FEEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)CC1 ZINC000531356407 562443044 /nfs/dbraw/zinc/44/30/44/562443044.db2.gz JHQHRAWKNDIGQQ-UHFFFAOYSA-N 2 2 354.479 2.297 20 30 FEEDLP COc1ccc([C@H](CNC(=O)C[NH2+][C@H](C)CC#N)[NH+]2CCCCC2)cc1 ZINC000602864619 568007964 /nfs/dbraw/zinc/00/79/64/568007964.db2.gz TVRDVJFVZFNBAR-APWZRJJASA-N 2 2 358.486 2.230 20 30 FEEDLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421715 568401792 /nfs/dbraw/zinc/40/17/92/568401792.db2.gz XHNNLJKHJRLSNJ-IAGOWNOFSA-N 2 2 363.527 2.290 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N(C)Cc1c(F)cccc1Cl ZINC000087154685 670685849 /nfs/dbraw/zinc/68/58/49/670685849.db2.gz AXESRLNJPKMRIB-UHFFFAOYSA-N 2 2 366.872 2.486 20 30 FEEDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)CCC2 ZINC000583747793 672122887 /nfs/dbraw/zinc/12/28/87/672122887.db2.gz DSBYUHBKFWVWTD-INIZCTEOSA-N 2 2 358.467 2.004 20 30 FEEDLP CCCC[C@@H](ON=C(C)C)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000768129241 680938678 /nfs/dbraw/zinc/93/86/78/680938678.db2.gz YLKOEZGFZXTOOH-GOSISDBHSA-N 2 2 354.539 2.442 20 30 FEEDLP CCCC[C@@H](ON=C(C)C)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000768129241 680938680 /nfs/dbraw/zinc/93/86/80/680938680.db2.gz YLKOEZGFZXTOOH-GOSISDBHSA-N 2 2 354.539 2.442 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)cc1 ZINC000057373119 540792183 /nfs/dbraw/zinc/79/21/83/540792183.db2.gz MFJWXQMSAKBOMX-UHFFFAOYSA-N 2 2 366.469 2.062 20 30 FEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534193 541333679 /nfs/dbraw/zinc/33/36/79/541333679.db2.gz DJMWPRUOLBVEJW-UHFFFAOYSA-N 2 2 372.557 2.161 20 30 FEEDLP C=C(C)CN(CC)C(=O)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000066534193 541333681 /nfs/dbraw/zinc/33/36/81/541333681.db2.gz DJMWPRUOLBVEJW-UHFFFAOYSA-N 2 2 372.557 2.161 20 30 FEEDLP CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160085815 546006188 /nfs/dbraw/zinc/00/61/88/546006188.db2.gz YAZABPANRUUEFW-KBXCAEBGSA-N 2 2 357.506 2.282 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000160120181 546009055 /nfs/dbraw/zinc/00/90/55/546009055.db2.gz LGZOXTCMUJGSFF-UHFFFAOYSA-N 2 2 371.500 2.443 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@H](CCC#N)c2ccccc2)CC1 ZINC000160687132 546064043 /nfs/dbraw/zinc/06/40/43/546064043.db2.gz CYTUXDNWBBCKPM-LJQANCHMSA-N 2 2 357.502 2.357 20 30 FEEDLP C[NH+]1CCC(CNC(=O)Cc2ccc(C#N)cc2)([NH+]2CCCCC2)CC1 ZINC000172749052 546266512 /nfs/dbraw/zinc/26/65/12/546266512.db2.gz ZLFQSRPZTLPRBR-UHFFFAOYSA-N 2 2 354.498 2.167 20 30 FEEDLP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000481662107 561238157 /nfs/dbraw/zinc/23/81/57/561238157.db2.gz UUQAWIHBGVDXST-JOCHJYFZSA-N 2 2 370.541 2.305 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180033854 547042062 /nfs/dbraw/zinc/04/20/62/547042062.db2.gz MEYYJNGMJKPTCP-FQEVSTJZSA-N 2 2 367.497 2.405 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000180033854 547042067 /nfs/dbraw/zinc/04/20/67/547042067.db2.gz MEYYJNGMJKPTCP-FQEVSTJZSA-N 2 2 367.497 2.405 20 30 FEEDLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000180134310 547056761 /nfs/dbraw/zinc/05/67/61/547056761.db2.gz ZHRSIIAEXUKEAN-KRWDZBQOSA-N 2 2 363.465 2.343 20 30 FEEDLP COCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181674895 547357977 /nfs/dbraw/zinc/35/79/77/547357977.db2.gz GOBYJLMYPLTKQL-OAQYLSRUSA-N 2 2 356.514 2.223 20 30 FEEDLP COCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181674895 547357981 /nfs/dbraw/zinc/35/79/81/547357981.db2.gz GOBYJLMYPLTKQL-OAQYLSRUSA-N 2 2 356.514 2.223 20 30 FEEDLP C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000189768293 548311451 /nfs/dbraw/zinc/31/14/51/548311451.db2.gz FXYSBLFRXXLCOB-ROUUACIJSA-N 2 2 357.564 2.161 20 30 FEEDLP C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000189768293 548311454 /nfs/dbraw/zinc/31/14/54/548311454.db2.gz FXYSBLFRXXLCOB-ROUUACIJSA-N 2 2 357.564 2.161 20 30 FEEDLP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000489763969 561418582 /nfs/dbraw/zinc/41/85/82/561418582.db2.gz VTNMRYINMIVPSE-WOJBJXKFSA-N 2 2 369.513 2.258 20 30 FEEDLP CCOCCC[NH+]=C(NCCCn1cc[nH+]c1)NCc1ccc(OC)cc1 ZINC000263940923 549958271 /nfs/dbraw/zinc/95/82/71/549958271.db2.gz CXXWFJCHRCXFMB-UHFFFAOYSA-N 2 2 373.501 2.444 20 30 FEEDLP C=C(C)COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1OC ZINC000264558345 549997946 /nfs/dbraw/zinc/99/79/46/549997946.db2.gz FAZXLXJJIQOLOC-QGZVFWFLSA-N 2 2 361.486 2.080 20 30 FEEDLP C=C(C)COc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1OC ZINC000264558345 549997947 /nfs/dbraw/zinc/99/79/47/549997947.db2.gz FAZXLXJJIQOLOC-QGZVFWFLSA-N 2 2 361.486 2.080 20 30 FEEDLP C=CC[N@H+](CCc1ccco1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000491283067 561444422 /nfs/dbraw/zinc/44/44/22/561444422.db2.gz HRJZNODXOLTQMO-UHFFFAOYSA-N 2 2 357.454 2.248 20 30 FEEDLP C=CC[N@@H+](CCc1ccco1)CC(=O)N1CC[NH+](Cc2ccco2)CC1 ZINC000491283067 561444423 /nfs/dbraw/zinc/44/44/23/561444423.db2.gz HRJZNODXOLTQMO-UHFFFAOYSA-N 2 2 357.454 2.248 20 30 FEEDLP CCOC1CC(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000285279475 551731208 /nfs/dbraw/zinc/73/12/08/551731208.db2.gz UFFXIYOGULJGFG-UHFFFAOYSA-N 2 2 361.486 2.095 20 30 FEEDLP C=CCOc1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000294809911 552935614 /nfs/dbraw/zinc/93/56/14/552935614.db2.gz VELMVGKHTPRNQN-UHFFFAOYSA-N 2 2 371.525 2.469 20 30 FEEDLP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000297509520 553301886 /nfs/dbraw/zinc/30/18/86/553301886.db2.gz OYYMDWYJIDIQOA-WOJBJXKFSA-N 2 2 365.481 2.366 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000297509520 553301889 /nfs/dbraw/zinc/30/18/89/553301889.db2.gz OYYMDWYJIDIQOA-WOJBJXKFSA-N 2 2 365.481 2.366 20 30 FEEDLP CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329936994 554035628 /nfs/dbraw/zinc/03/56/28/554035628.db2.gz DLFSATZDWQDNAD-HNAYVOBHSA-N 2 2 364.534 2.149 20 30 FEEDLP CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000329936994 554035630 /nfs/dbraw/zinc/03/56/30/554035630.db2.gz DLFSATZDWQDNAD-HNAYVOBHSA-N 2 2 364.534 2.149 20 30 FEEDLP N#CC1(F)CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000510904766 561850142 /nfs/dbraw/zinc/85/01/42/561850142.db2.gz LMHPPJSQSGZLGU-UHFFFAOYSA-N 2 2 358.461 2.226 20 30 FEEDLP C(#CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000375473790 558033654 /nfs/dbraw/zinc/03/36/54/558033654.db2.gz OMWDKPVUBJINMF-HDICACEKSA-N 2 2 352.486 2.195 20 30 FEEDLP C(#CC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)C[NH+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000375473790 558033657 /nfs/dbraw/zinc/03/36/57/558033657.db2.gz OMWDKPVUBJINMF-HDICACEKSA-N 2 2 352.486 2.195 20 30 FEEDLP C(#CC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000375473790 558033659 /nfs/dbraw/zinc/03/36/59/558033659.db2.gz OMWDKPVUBJINMF-HDICACEKSA-N 2 2 352.486 2.195 20 30 FEEDLP C(#CC[N@H+]1CCC[C@H](c2cc[nH]n2)C1)C[NH+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000375473790 558033661 /nfs/dbraw/zinc/03/36/61/558033661.db2.gz OMWDKPVUBJINMF-HDICACEKSA-N 2 2 352.486 2.195 20 30 FEEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000375907074 558097397 /nfs/dbraw/zinc/09/73/97/558097397.db2.gz RBVQHKZEGORMPJ-IBGZPJMESA-N 2 2 351.498 2.411 20 30 FEEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000375907074 558097399 /nfs/dbraw/zinc/09/73/99/558097399.db2.gz RBVQHKZEGORMPJ-IBGZPJMESA-N 2 2 351.498 2.411 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC2)cc1 ZINC000376163161 558135418 /nfs/dbraw/zinc/13/54/18/558135418.db2.gz QOANBAQMKDQNOO-SFTDATJTSA-N 2 2 355.482 2.450 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3CN4CCCC[C@H]4CO3)CC2)cc1 ZINC000376178695 558137353 /nfs/dbraw/zinc/13/73/53/558137353.db2.gz SVWJWZUPAIKIKP-FCHUYYIVSA-N 2 2 368.525 2.366 20 30 FEEDLP C[C@H]1CN(C(=O)Nc2ccc(CC#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376810608 558224460 /nfs/dbraw/zinc/22/44/60/558224460.db2.gz JPCXFRLDHKBAHI-INIZCTEOSA-N 2 2 355.486 2.385 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000377732537 558407386 /nfs/dbraw/zinc/40/73/86/558407386.db2.gz MMTQNEBRACUNLH-XQBPLPMBSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000377732537 558407389 /nfs/dbraw/zinc/40/73/89/558407389.db2.gz MMTQNEBRACUNLH-XQBPLPMBSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000377732537 558407390 /nfs/dbraw/zinc/40/73/90/558407390.db2.gz MMTQNEBRACUNLH-XQBPLPMBSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000377732537 558407392 /nfs/dbraw/zinc/40/73/92/558407392.db2.gz MMTQNEBRACUNLH-XQBPLPMBSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000390655004 558611388 /nfs/dbraw/zinc/61/13/88/558611388.db2.gz FXKKYPKFKZYNIK-FXAWDEMLSA-N 2 2 353.466 2.408 20 30 FEEDLP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000390655004 558611390 /nfs/dbraw/zinc/61/13/90/558611390.db2.gz FXKKYPKFKZYNIK-FXAWDEMLSA-N 2 2 353.466 2.408 20 30 FEEDLP N#CCCC[C@H]([NH3+])C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000424176434 559656805 /nfs/dbraw/zinc/65/68/05/559656805.db2.gz XTTRDRKIHLDPHZ-KRWDZBQOSA-N 2 2 351.454 2.032 20 30 FEEDLP C=CCCOCCCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537192320 562587451 /nfs/dbraw/zinc/58/74/51/562587451.db2.gz YZHGRVDIASTYHC-UHFFFAOYSA-N 2 2 351.535 2.424 20 30 FEEDLP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2ccc(C#N)cn2)CC1 ZINC000541535613 562614629 /nfs/dbraw/zinc/61/46/29/562614629.db2.gz IABIXMZTSFICBZ-UHFFFAOYSA-N 2 2 359.437 2.165 20 30 FEEDLP N#Cc1cnn2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)cnc12 ZINC000550156986 562643389 /nfs/dbraw/zinc/64/33/89/562643389.db2.gz PEMJAOUPNCAASF-UHFFFAOYSA-N 2 2 360.465 2.398 20 30 FEEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601970134 567890418 /nfs/dbraw/zinc/89/04/18/567890418.db2.gz YJAZOXBBRFSJLG-NHCUHLMSSA-N 2 2 358.530 2.227 20 30 FEEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601970134 567890420 /nfs/dbraw/zinc/89/04/20/567890420.db2.gz YJAZOXBBRFSJLG-NHCUHLMSSA-N 2 2 358.530 2.227 20 30 FEEDLP C[C@@H]1C[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852598 568001664 /nfs/dbraw/zinc/00/16/64/568001664.db2.gz DCDZXKHTAJWQQI-ZVDOUQERSA-N 2 2 356.514 2.196 20 30 FEEDLP C[C@@H]1C[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852598 568001665 /nfs/dbraw/zinc/00/16/65/568001665.db2.gz DCDZXKHTAJWQQI-ZVDOUQERSA-N 2 2 356.514 2.196 20 30 FEEDLP C[C@@H]1C[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852598 568001666 /nfs/dbraw/zinc/00/16/66/568001666.db2.gz DCDZXKHTAJWQQI-ZVDOUQERSA-N 2 2 356.514 2.196 20 30 FEEDLP C[C@@H]1C[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)N1CC#N ZINC000602852598 568001667 /nfs/dbraw/zinc/00/16/67/568001667.db2.gz DCDZXKHTAJWQQI-ZVDOUQERSA-N 2 2 356.514 2.196 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)CC1 ZINC000568747229 568176505 /nfs/dbraw/zinc/17/65/05/568176505.db2.gz HTVRCTGJTAZRQV-UHFFFAOYSA-N 2 2 372.488 2.258 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cc3c(F)cccc3C#N)CC2)CC1 ZINC000568747229 568176506 /nfs/dbraw/zinc/17/65/06/568176506.db2.gz HTVRCTGJTAZRQV-UHFFFAOYSA-N 2 2 372.488 2.258 20 30 FEEDLP C[NH+]=C(NCCc1cn2c([nH+]1)CCCC2)N(C)Cc1cc(Cl)cn1C ZINC000158783622 672272902 /nfs/dbraw/zinc/27/29/02/672272902.db2.gz WBGYDSDNWPQDGX-UHFFFAOYSA-N 2 2 362.909 2.461 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N(C)C[C@H]1CCOC1 ZINC000261623318 672900202 /nfs/dbraw/zinc/90/02/02/672900202.db2.gz IGMPPYXJGBAQOE-LSDHHAIUSA-N 2 2 350.532 2.038 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N(C)C[C@H]1CCOC1 ZINC000261623318 672900206 /nfs/dbraw/zinc/90/02/06/672900206.db2.gz IGMPPYXJGBAQOE-LSDHHAIUSA-N 2 2 350.532 2.038 20 30 FEEDLP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997014415 680345430 /nfs/dbraw/zinc/34/54/30/680345430.db2.gz AAESGZYNXILMNN-ZIAGYGMSSA-N 2 2 367.291 2.013 20 30 FEEDLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998937460 680392244 /nfs/dbraw/zinc/39/22/44/680392244.db2.gz VKTFACWAWSQDMH-DCNYZXSGSA-N 2 2 355.467 2.226 20 30 FEEDLP CN(C(=O)[C@@H]1C[C@H]1c1c[nH+]c[nH]1)C1CC([NH2+]Cc2ccc(C#N)s2)C1 ZINC000998937460 680392246 /nfs/dbraw/zinc/39/22/46/680392246.db2.gz VKTFACWAWSQDMH-DCNYZXSGSA-N 2 2 355.467 2.226 20 30 FEEDLP C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001045445011 680630296 /nfs/dbraw/zinc/63/02/96/680630296.db2.gz OOMABBBHLCCPCI-ZIAGYGMSSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001045445011 680630300 /nfs/dbraw/zinc/63/03/00/680630300.db2.gz OOMABBBHLCCPCI-ZIAGYGMSSA-N 2 2 358.324 2.206 20 30 FEEDLP C[NH+](C)CCC[N@H+](C)CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000849279679 681676667 /nfs/dbraw/zinc/67/66/67/681676667.db2.gz DXIAZGOYZKENOW-UHFFFAOYSA-N 2 2 353.923 2.382 20 30 FEEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=S)Nc1ccc(C#N)c(Cl)c1 ZINC000849279679 681676672 /nfs/dbraw/zinc/67/66/72/681676672.db2.gz DXIAZGOYZKENOW-UHFFFAOYSA-N 2 2 353.923 2.382 20 30 FEEDLP C#CCSCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000889906555 688847945 /nfs/dbraw/zinc/84/79/45/688847945.db2.gz GIRUTZHBTKMCDS-MSOLQXFVSA-N 2 2 351.560 2.148 20 30 FEEDLP C#CCSCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000889906555 688847950 /nfs/dbraw/zinc/84/79/50/688847950.db2.gz GIRUTZHBTKMCDS-MSOLQXFVSA-N 2 2 351.560 2.148 20 30 FEEDLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1 ZINC000051761593 540443695 /nfs/dbraw/zinc/44/36/95/540443695.db2.gz AIQVHFOSYHSVPF-MRXNPFEDSA-N 2 2 369.513 2.477 20 30 FEEDLP COc1ccc(NC(=[NH2+])NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000104164607 543125257 /nfs/dbraw/zinc/12/52/57/543125257.db2.gz LSJQIJWSFQNSBZ-UHFFFAOYSA-N 2 2 354.454 2.454 20 30 FEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N(C2CC[NH+](C3CC3)CC2)CC1=O ZINC000119260371 543665749 /nfs/dbraw/zinc/66/57/49/543665749.db2.gz IDSYGKQHPIMXJO-UHFFFAOYSA-N 2 2 365.481 2.273 20 30 FEEDLP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCSCC1 ZINC000130810752 544165931 /nfs/dbraw/zinc/16/59/31/544165931.db2.gz HMBMGYFMTZGZTJ-KRWDZBQOSA-N 2 2 372.538 2.030 20 30 FEEDLP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCSCC1 ZINC000130810752 544165932 /nfs/dbraw/zinc/16/59/32/544165932.db2.gz HMBMGYFMTZGZTJ-KRWDZBQOSA-N 2 2 372.538 2.030 20 30 FEEDLP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181874912 327750265 /nfs/dbraw/zinc/75/02/65/327750265.db2.gz XLAWOZHRWUIVDQ-NRFANRHFSA-N 3 2 358.530 2.469 20 30 FEEDLP C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160117631 546008565 /nfs/dbraw/zinc/00/85/65/546008565.db2.gz MJHCIKXUTBXNIU-WMLDXEAASA-N 2 2 372.448 2.119 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000171871082 546228761 /nfs/dbraw/zinc/22/87/61/546228761.db2.gz DYRBBRIVPHHAEB-QGZVFWFLSA-N 2 2 374.504 2.103 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000171871080 546229094 /nfs/dbraw/zinc/22/90/94/546229094.db2.gz DYRBBRIVPHHAEB-KRWDZBQOSA-N 2 2 374.504 2.103 20 30 FEEDLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000177484651 546629371 /nfs/dbraw/zinc/62/93/71/546629371.db2.gz IVNBNXCRNQOPHG-INIZCTEOSA-N 2 2 358.486 2.364 20 30 FEEDLP COc1ccc(C#N)cc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182614069 547522295 /nfs/dbraw/zinc/52/22/95/547522295.db2.gz CFISSTRGFWIFQH-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1ccc(C#N)cc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182614069 547522300 /nfs/dbraw/zinc/52/23/00/547522300.db2.gz CFISSTRGFWIFQH-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1ccc(C#N)cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182614069 547522303 /nfs/dbraw/zinc/52/23/03/547522303.db2.gz CFISSTRGFWIFQH-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1ccc(C#N)cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182614069 547522307 /nfs/dbraw/zinc/52/23/07/547522307.db2.gz CFISSTRGFWIFQH-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP N#Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000182965124 547579531 /nfs/dbraw/zinc/57/95/31/547579531.db2.gz GAXXSCTXVPKGTM-UHFFFAOYSA-N 2 2 370.497 2.321 20 30 FEEDLP C=C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000489404242 561410131 /nfs/dbraw/zinc/41/01/31/561410131.db2.gz ONHBRQDDLYLWQF-FQEVSTJZSA-N 2 2 357.498 2.176 20 30 FEEDLP C=C[C@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000489404242 561410132 /nfs/dbraw/zinc/41/01/32/561410132.db2.gz ONHBRQDDLYLWQF-FQEVSTJZSA-N 2 2 357.498 2.176 20 30 FEEDLP C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262014481 549779463 /nfs/dbraw/zinc/77/94/63/549779463.db2.gz XKYQYUQAVIWUGO-DOTOQJQBSA-N 2 2 355.490 2.074 20 30 FEEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262773370 549848683 /nfs/dbraw/zinc/84/86/83/549848683.db2.gz HRDOXEKOYCGEDR-CYBMUJFWSA-N 2 2 374.558 2.210 20 30 FEEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000262773370 549848686 /nfs/dbraw/zinc/84/86/86/549848686.db2.gz HRDOXEKOYCGEDR-CYBMUJFWSA-N 2 2 374.558 2.210 20 30 FEEDLP C[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)c1cccs1 ZINC000267033234 550027347 /nfs/dbraw/zinc/02/73/47/550027347.db2.gz WGFDOWVZZFXARM-CYBMUJFWSA-N 2 2 360.483 2.324 20 30 FEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000271194435 550351184 /nfs/dbraw/zinc/35/11/84/550351184.db2.gz GZYGDLHCJPXFJT-ZDUSSCGKSA-N 2 2 353.467 2.373 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000501116440 561590464 /nfs/dbraw/zinc/59/04/64/561590464.db2.gz RQUKYDDCSGVQFB-UFYCRDLUSA-N 2 2 362.562 2.066 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCCCCC2)[nH+]c1 ZINC000296350219 553145789 /nfs/dbraw/zinc/14/57/89/553145789.db2.gz NTEPYVWOYSLAHM-UHFFFAOYSA-N 2 2 357.502 2.216 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(OCC)cc3)CC2)CC1 ZINC000299045585 553507899 /nfs/dbraw/zinc/50/78/99/553507899.db2.gz NHFGZNNGWSZUTJ-UHFFFAOYSA-N 2 2 369.509 2.075 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000504303840 561655956 /nfs/dbraw/zinc/65/59/56/561655956.db2.gz VSPNLOIRQSZWPO-VQTJNVASSA-N 2 2 367.497 2.012 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000504303840 561655957 /nfs/dbraw/zinc/65/59/57/561655957.db2.gz VSPNLOIRQSZWPO-VQTJNVASSA-N 2 2 367.497 2.012 20 30 FEEDLP Cc1cc(NC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)ncc1C#N ZINC000603117419 553711840 /nfs/dbraw/zinc/71/18/40/553711840.db2.gz DTHBXHHLKNVWHI-UHFFFAOYSA-N 2 2 370.501 2.334 20 30 FEEDLP C[N@H+](CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000311257104 553754964 /nfs/dbraw/zinc/75/49/64/553754964.db2.gz CPKOYQVWURRGSU-UHFFFAOYSA-N 2 2 371.506 2.444 20 30 FEEDLP C[N@@H+](CCC[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)Cc1ccccc1 ZINC000311257104 553754966 /nfs/dbraw/zinc/75/49/66/553754966.db2.gz CPKOYQVWURRGSU-UHFFFAOYSA-N 2 2 371.506 2.444 20 30 FEEDLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc2c(c1)OCO2 ZINC000328827714 553829199 /nfs/dbraw/zinc/82/91/99/553829199.db2.gz IOGJQFMQVCVNNS-UHFFFAOYSA-N 2 2 361.442 2.048 20 30 FEEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCN(C(C)=O)C3(CCCCC3)C2)CC1 ZINC000329047018 553871360 /nfs/dbraw/zinc/87/13/60/553871360.db2.gz QDUVXENYODUOIW-UHFFFAOYSA-N 2 2 364.534 2.294 20 30 FEEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)CC1 ZINC000329047018 553871364 /nfs/dbraw/zinc/87/13/64/553871364.db2.gz QDUVXENYODUOIW-UHFFFAOYSA-N 2 2 364.534 2.294 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)CC1 ZINC000329049403 553871439 /nfs/dbraw/zinc/87/14/39/553871439.db2.gz KJYVKPLNOMLLJK-HNNXBMFYSA-N 2 2 364.534 2.149 20 30 FEEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N1CC[NH+](CC3CC3)CC1)C2 ZINC000329274047 553914703 /nfs/dbraw/zinc/91/47/03/553914703.db2.gz KFUVFYFUTOUAGR-INIZCTEOSA-N 2 2 359.518 2.437 20 30 FEEDLP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329364217 553933392 /nfs/dbraw/zinc/93/33/92/553933392.db2.gz JMBAIYNNMIRAMW-SFHVURJKSA-N 2 2 354.454 2.434 20 30 FEEDLP CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329999609 554047053 /nfs/dbraw/zinc/04/70/53/554047053.db2.gz VAJYDPQYILYLCY-IAGOWNOFSA-N 2 2 362.522 2.123 20 30 FEEDLP CCN1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329999609 554047056 /nfs/dbraw/zinc/04/70/56/554047056.db2.gz VAJYDPQYILYLCY-IAGOWNOFSA-N 2 2 362.522 2.123 20 30 FEEDLP CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000330277492 554098288 /nfs/dbraw/zinc/09/82/88/554098288.db2.gz OITUUZPNLMXATF-SJORKVTESA-N 2 2 363.506 2.312 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853152 554892503 /nfs/dbraw/zinc/89/25/03/554892503.db2.gz XMHAXDUWPQXPPU-ICSRJNTNSA-N 2 2 369.513 2.499 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853152 554892506 /nfs/dbraw/zinc/89/25/06/554892506.db2.gz XMHAXDUWPQXPPU-ICSRJNTNSA-N 2 2 369.513 2.499 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853146 554892692 /nfs/dbraw/zinc/89/26/92/554892692.db2.gz XMHAXDUWPQXPPU-AZUAARDMSA-N 2 2 369.513 2.499 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853146 554892693 /nfs/dbraw/zinc/89/26/93/554892693.db2.gz XMHAXDUWPQXPPU-AZUAARDMSA-N 2 2 369.513 2.499 20 30 FEEDLP C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000362323249 554963589 /nfs/dbraw/zinc/96/35/89/554963589.db2.gz AATZKIUAVBMNIF-MRXNPFEDSA-N 2 2 353.514 2.437 20 30 FEEDLP C[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000362323249 554963591 /nfs/dbraw/zinc/96/35/91/554963591.db2.gz AATZKIUAVBMNIF-MRXNPFEDSA-N 2 2 353.514 2.437 20 30 FEEDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1C#N ZINC000366929028 555973867 /nfs/dbraw/zinc/97/38/67/555973867.db2.gz XZIZRESRAATVFH-XLIONFOSSA-N 2 2 353.470 2.473 20 30 FEEDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)ccc1C#N ZINC000366929028 555973870 /nfs/dbraw/zinc/97/38/70/555973870.db2.gz XZIZRESRAATVFH-XLIONFOSSA-N 2 2 353.470 2.473 20 30 FEEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000375509067 558040354 /nfs/dbraw/zinc/04/03/54/558040354.db2.gz KBYAZLDOUJCYEQ-YOEHRIQHSA-N 2 2 363.531 2.014 20 30 FEEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000375509067 558040355 /nfs/dbraw/zinc/04/03/55/558040355.db2.gz KBYAZLDOUJCYEQ-YOEHRIQHSA-N 2 2 363.531 2.014 20 30 FEEDLP COc1cc(C#N)ccc1OCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369896 558541722 /nfs/dbraw/zinc/54/17/22/558541722.db2.gz MCAGKWHEEVHMGQ-KRWDZBQOSA-N 2 2 372.513 2.046 20 30 FEEDLP COc1cc(C#N)ccc1OCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378369896 558541724 /nfs/dbraw/zinc/54/17/24/558541724.db2.gz MCAGKWHEEVHMGQ-KRWDZBQOSA-N 2 2 372.513 2.046 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CC2)cc1 ZINC000418673273 559410713 /nfs/dbraw/zinc/41/07/13/559410713.db2.gz VEVULINYVFCGOX-UAPYVXQJSA-N 2 2 369.513 2.151 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000422007645 559560108 /nfs/dbraw/zinc/56/01/08/559560108.db2.gz NXGHFJBQHFSJBB-UHFFFAOYSA-N 2 2 354.498 2.385 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(CC#N)c3)CC2)CC1 ZINC000422007645 559560109 /nfs/dbraw/zinc/56/01/09/559560109.db2.gz NXGHFJBQHFSJBB-UHFFFAOYSA-N 2 2 354.498 2.385 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748314 559908296 /nfs/dbraw/zinc/90/82/96/559908296.db2.gz RKZHOHSMQKIMLE-MCNSAMFCSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748314 559908297 /nfs/dbraw/zinc/90/82/97/559908297.db2.gz RKZHOHSMQKIMLE-MCNSAMFCSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748314 559908298 /nfs/dbraw/zinc/90/82/98/559908298.db2.gz RKZHOHSMQKIMLE-MCNSAMFCSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434748314 559908299 /nfs/dbraw/zinc/90/82/99/559908299.db2.gz RKZHOHSMQKIMLE-MCNSAMFCSA-N 2 2 371.529 2.449 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441025185 560022016 /nfs/dbraw/zinc/02/20/16/560022016.db2.gz IBPXVSAJOWTHES-IBGZPJMESA-N 2 2 364.578 2.290 20 30 FEEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450229064 560254768 /nfs/dbraw/zinc/25/47/68/560254768.db2.gz WEAYQBIMDKFRFP-FYQPLNBISA-N 2 2 363.546 2.373 20 30 FEEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450229064 560254769 /nfs/dbraw/zinc/25/47/69/560254769.db2.gz WEAYQBIMDKFRFP-FYQPLNBISA-N 2 2 363.546 2.373 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529624 560312418 /nfs/dbraw/zinc/31/24/18/560312418.db2.gz NMQOQRONMDZODS-GOSISDBHSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529624 560312419 /nfs/dbraw/zinc/31/24/19/560312419.db2.gz NMQOQRONMDZODS-GOSISDBHSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529624 560312420 /nfs/dbraw/zinc/31/24/20/560312420.db2.gz NMQOQRONMDZODS-GOSISDBHSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529624 560312421 /nfs/dbraw/zinc/31/24/21/560312421.db2.gz NMQOQRONMDZODS-GOSISDBHSA-N 2 2 372.488 2.464 20 30 FEEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000472289713 561023430 /nfs/dbraw/zinc/02/34/30/561023430.db2.gz DDTZXCMKSXPJTB-INIZCTEOSA-N 2 2 362.474 2.139 20 30 FEEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000472289713 561023431 /nfs/dbraw/zinc/02/34/31/561023431.db2.gz DDTZXCMKSXPJTB-INIZCTEOSA-N 2 2 362.474 2.139 20 30 FEEDLP N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000528502652 562332967 /nfs/dbraw/zinc/33/29/67/562332967.db2.gz JZSHEZPMCWWQLS-IRXDYDNUSA-N 2 2 356.470 2.190 20 30 FEEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336769 562407362 /nfs/dbraw/zinc/40/73/62/562407362.db2.gz VFXZMKJDWOBHDL-LNLFQRSKSA-N 2 2 354.498 2.438 20 30 FEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336769 562407363 /nfs/dbraw/zinc/40/73/63/562407363.db2.gz VFXZMKJDWOBHDL-LNLFQRSKSA-N 2 2 354.498 2.438 20 30 FEEDLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000569588349 568408735 /nfs/dbraw/zinc/40/87/35/568408735.db2.gz LEQKYRUDHKCCFE-AWEZNQCLSA-N 2 2 362.499 2.133 20 30 FEEDLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000569588349 568408736 /nfs/dbraw/zinc/40/87/36/568408736.db2.gz LEQKYRUDHKCCFE-AWEZNQCLSA-N 2 2 362.499 2.133 20 30 FEEDLP C[NH+]=C(NCC[NH+]1CCSCC1)N(C)Cc1nc2c(s1)CCCC2 ZINC000262784690 672920999 /nfs/dbraw/zinc/92/09/99/672920999.db2.gz LZAOQQVSPBMPHO-UHFFFAOYSA-N 2 2 367.588 2.078 20 30 FEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)s1 ZINC000999414819 680402628 /nfs/dbraw/zinc/40/26/28/680402628.db2.gz XHRUIXNBSWXTNL-DAXOMENPSA-N 2 2 355.467 2.227 20 30 FEEDLP N#Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)s1 ZINC000999414819 680402630 /nfs/dbraw/zinc/40/26/30/680402630.db2.gz XHRUIXNBSWXTNL-DAXOMENPSA-N 2 2 355.467 2.227 20 30 FEEDLP C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001007360673 680636866 /nfs/dbraw/zinc/63/68/66/680636866.db2.gz SUYKSDKYTRWYJI-KSZLIROESA-N 2 2 369.937 2.066 20 30 FEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001007360673 680636867 /nfs/dbraw/zinc/63/68/67/680636867.db2.gz SUYKSDKYTRWYJI-KSZLIROESA-N 2 2 369.937 2.066 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000876714849 686251479 /nfs/dbraw/zinc/25/14/79/686251479.db2.gz CWOOKIUXWQEWMW-KRWDZBQOSA-N 2 2 351.878 2.199 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccc(C#N)cc3)CC2)CC1 ZINC000050800099 540414410 /nfs/dbraw/zinc/41/44/10/540414410.db2.gz QGVJEIKNYLXPKE-UHFFFAOYSA-N 2 2 354.498 2.166 20 30 FEEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(C#N)c1 ZINC000058396624 540842015 /nfs/dbraw/zinc/84/20/15/540842015.db2.gz NMRPZHIQMDCOAN-UHFFFAOYSA-N 2 2 352.482 2.289 20 30 FEEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(C#N)c1 ZINC000058396624 540842021 /nfs/dbraw/zinc/84/20/21/540842021.db2.gz NMRPZHIQMDCOAN-UHFFFAOYSA-N 2 2 352.482 2.289 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000087497152 542746585 /nfs/dbraw/zinc/74/65/85/542746585.db2.gz LGCJMJPQBDDLNO-NWDGAFQWSA-N 2 2 360.428 2.272 20 30 FEEDLP C=CCOc1ccc(C[NH+]2CCN(c3cc[nH+]c(N(C)C)n3)CC2)cc1 ZINC000093562663 542933676 /nfs/dbraw/zinc/93/36/76/542933676.db2.gz IETOLEGENGPTCI-UHFFFAOYSA-N 2 2 353.470 2.430 20 30 FEEDLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CCC#N)c3ccccc3)cn2)CC1 ZINC000130456710 544151650 /nfs/dbraw/zinc/15/16/50/544151650.db2.gz XLSIIEONGNRCPE-IBGZPJMESA-N 2 2 350.470 2.363 20 30 FEEDLP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCSCC1 ZINC000130810991 544165853 /nfs/dbraw/zinc/16/58/53/544165853.db2.gz HMBMGYFMTZGZTJ-QGZVFWFLSA-N 2 2 372.538 2.030 20 30 FEEDLP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[NH+]1CCSCC1 ZINC000130810991 544165856 /nfs/dbraw/zinc/16/58/56/544165856.db2.gz HMBMGYFMTZGZTJ-QGZVFWFLSA-N 2 2 372.538 2.030 20 30 FEEDLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000367208170 330230110 /nfs/dbraw/zinc/23/01/10/330230110.db2.gz HWOOSKKKJNPYMW-UHFFFAOYSA-N 2 2 351.454 2.188 20 30 FEEDLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(Cc2ccc(C#N)cc2)C(=O)C1 ZINC000367208170 330230111 /nfs/dbraw/zinc/23/01/11/330230111.db2.gz HWOOSKKKJNPYMW-UHFFFAOYSA-N 2 2 351.454 2.188 20 30 FEEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247556682 549356044 /nfs/dbraw/zinc/35/60/44/549356044.db2.gz QJZFLFPQOUIYHE-NQIIRXRSSA-N 2 2 354.498 2.249 20 30 FEEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247556682 549356045 /nfs/dbraw/zinc/35/60/45/549356045.db2.gz QJZFLFPQOUIYHE-NQIIRXRSSA-N 2 2 354.498 2.249 20 30 FEEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247556682 549356046 /nfs/dbraw/zinc/35/60/46/549356046.db2.gz QJZFLFPQOUIYHE-NQIIRXRSSA-N 2 2 354.498 2.249 20 30 FEEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247556682 549356047 /nfs/dbraw/zinc/35/60/47/549356047.db2.gz QJZFLFPQOUIYHE-NQIIRXRSSA-N 2 2 354.498 2.249 20 30 FEEDLP Cn1cc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)cc1C#N ZINC000480312788 561206989 /nfs/dbraw/zinc/20/69/89/561206989.db2.gz YBLKJMOCCWNMNL-UHFFFAOYSA-N 2 2 364.453 2.260 20 30 FEEDLP C=CCc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1 ZINC000183794264 547720308 /nfs/dbraw/zinc/72/03/08/547720308.db2.gz FJKBVNGAOGMMIE-LJQANCHMSA-N 2 2 368.481 2.075 20 30 FEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000245523718 548939433 /nfs/dbraw/zinc/93/94/33/548939433.db2.gz NAWYXHIMUBEXHO-RLLQIKCJSA-N 2 2 352.482 2.470 20 30 FEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000245523718 548939438 /nfs/dbraw/zinc/93/94/38/548939438.db2.gz NAWYXHIMUBEXHO-RLLQIKCJSA-N 2 2 352.482 2.470 20 30 FEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000245523718 548939444 /nfs/dbraw/zinc/93/94/44/548939444.db2.gz NAWYXHIMUBEXHO-RLLQIKCJSA-N 2 2 352.482 2.470 20 30 FEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000245523718 548939448 /nfs/dbraw/zinc/93/94/48/548939448.db2.gz NAWYXHIMUBEXHO-RLLQIKCJSA-N 2 2 352.482 2.470 20 30 FEEDLP CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245706358 548980160 /nfs/dbraw/zinc/98/01/60/548980160.db2.gz MJQFWMQVBKYOOH-VQTJNVASSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccc(C#N)cn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245706358 548980165 /nfs/dbraw/zinc/98/01/65/548980165.db2.gz MJQFWMQVBKYOOH-VQTJNVASSA-N 2 2 369.513 2.362 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H](C)c1ccc(F)cc1F ZINC000262750442 549846129 /nfs/dbraw/zinc/84/61/29/549846129.db2.gz BPOJIQHMCMKBHR-NSHDSACASA-N 2 2 350.417 2.191 20 30 FEEDLP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000329198006 553900373 /nfs/dbraw/zinc/90/03/73/553900373.db2.gz AFYFYZXTBNPCLE-IBGZPJMESA-N 2 2 370.497 2.307 20 30 FEEDLP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000330003271 554047212 /nfs/dbraw/zinc/04/72/12/554047212.db2.gz ZNMOOJDFMFXACP-SFHVURJKSA-N 2 2 359.518 2.281 20 30 FEEDLP CCN1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000330000971 554047329 /nfs/dbraw/zinc/04/73/29/554047329.db2.gz XIXYEFPYWKKMBU-JCYILVPMSA-N 2 2 362.522 2.123 20 30 FEEDLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC000330003270 554047377 /nfs/dbraw/zinc/04/73/77/554047377.db2.gz ZNMOOJDFMFXACP-GOSISDBHSA-N 2 2 359.518 2.281 20 30 FEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C2 ZINC000330122489 554068331 /nfs/dbraw/zinc/06/83/31/554068331.db2.gz BWHZNMVGLYBFJR-SFHVURJKSA-N 2 2 365.547 2.253 20 30 FEEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH+]=C([O-])N[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000330176291 554079215 /nfs/dbraw/zinc/07/92/15/554079215.db2.gz CFKKVCCWZZFJAY-KBPBESRZSA-N 2 2 356.474 2.211 20 30 FEEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330317621 554104207 /nfs/dbraw/zinc/10/42/07/554104207.db2.gz BUPBSDIFUVARBI-HPFXQQBRSA-N 2 2 363.506 2.264 20 30 FEEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000330317621 554104208 /nfs/dbraw/zinc/10/42/08/554104208.db2.gz BUPBSDIFUVARBI-HPFXQQBRSA-N 2 2 363.506 2.264 20 30 FEEDLP C[N@H+](CC(=O)Nc1cccc(C#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452255 555109382 /nfs/dbraw/zinc/10/93/82/555109382.db2.gz DGULREUBCNAEMF-UHFFFAOYSA-N 2 2 356.470 2.072 20 30 FEEDLP C[N@@H+](CC(=O)Nc1cccc(C#N)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452255 555109383 /nfs/dbraw/zinc/10/93/83/555109383.db2.gz DGULREUBCNAEMF-UHFFFAOYSA-N 2 2 356.470 2.072 20 30 FEEDLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000511954819 561886758 /nfs/dbraw/zinc/88/67/58/561886758.db2.gz MDXMSFNUGSNOCI-QGZVFWFLSA-N 2 2 369.494 2.362 20 30 FEEDLP C[C@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367444268 556050562 /nfs/dbraw/zinc/05/05/62/556050562.db2.gz AUUZBQQGDNSUHJ-AWEZNQCLSA-N 2 2 359.449 2.330 20 30 FEEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370018485 556759052 /nfs/dbraw/zinc/75/90/52/556759052.db2.gz JFVNYIVVIZMEIV-KRWDZBQOSA-N 2 2 368.485 2.055 20 30 FEEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370018485 556759056 /nfs/dbraw/zinc/75/90/56/556759056.db2.gz JFVNYIVVIZMEIV-KRWDZBQOSA-N 2 2 368.485 2.055 20 30 FEEDLP CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370819555 556978450 /nfs/dbraw/zinc/97/84/50/556978450.db2.gz LCILMJXPQIDPGS-SFHVURJKSA-N 2 2 372.538 2.277 20 30 FEEDLP CN(C(=O)CSc1ccc(C#N)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370819555 556978451 /nfs/dbraw/zinc/97/84/51/556978451.db2.gz LCILMJXPQIDPGS-SFHVURJKSA-N 2 2 372.538 2.277 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000519235132 562127734 /nfs/dbraw/zinc/12/77/34/562127734.db2.gz YLIQVPNHVPVVII-YZGWKJHDSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000519235132 562127735 /nfs/dbraw/zinc/12/77/35/562127735.db2.gz YLIQVPNHVPVVII-YZGWKJHDSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000519235132 562127736 /nfs/dbraw/zinc/12/77/36/562127736.db2.gz YLIQVPNHVPVVII-YZGWKJHDSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000519235132 562127737 /nfs/dbraw/zinc/12/77/37/562127737.db2.gz YLIQVPNHVPVVII-YZGWKJHDSA-N 2 2 366.509 2.391 20 30 FEEDLP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000520654705 562161142 /nfs/dbraw/zinc/16/11/42/562161142.db2.gz SEUBDEKNMADBTB-KRWDZBQOSA-N 2 2 357.502 2.116 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012661 557964246 /nfs/dbraw/zinc/96/42/46/557964246.db2.gz MIYLWAZQZFDEGP-SFHVURJKSA-N 2 2 371.529 2.028 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012661 557964248 /nfs/dbraw/zinc/96/42/48/557964248.db2.gz MIYLWAZQZFDEGP-SFHVURJKSA-N 2 2 371.529 2.028 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000378245684 558510332 /nfs/dbraw/zinc/51/03/32/558510332.db2.gz CUAJVGIVBBGRLP-SQNIBIBYSA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000378245684 558510334 /nfs/dbraw/zinc/51/03/34/558510334.db2.gz CUAJVGIVBBGRLP-SQNIBIBYSA-N 2 2 367.453 2.292 20 30 FEEDLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424178543 559656875 /nfs/dbraw/zinc/65/68/75/559656875.db2.gz WWCQRODFOROPDD-SJLPKXTDSA-N 2 2 358.486 2.139 20 30 FEEDLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424178543 559656876 /nfs/dbraw/zinc/65/68/76/559656876.db2.gz WWCQRODFOROPDD-SJLPKXTDSA-N 2 2 358.486 2.139 20 30 FEEDLP C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000425720640 559715897 /nfs/dbraw/zinc/71/58/97/559715897.db2.gz DTDUEVBYQDYAMW-INIZCTEOSA-N 2 2 357.502 2.287 20 30 FEEDLP CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450229058 560254669 /nfs/dbraw/zinc/25/46/69/560254669.db2.gz WDDPLFBOSKVOCN-RBUKOAKNSA-N 2 2 371.529 2.306 20 30 FEEDLP CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450229058 560254670 /nfs/dbraw/zinc/25/46/70/560254670.db2.gz WDDPLFBOSKVOCN-RBUKOAKNSA-N 2 2 371.529 2.306 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533866 560312800 /nfs/dbraw/zinc/31/28/00/560312800.db2.gz XBBQMDIEOLDNPP-NRFANRHFSA-N 2 2 371.500 2.443 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533866 560312801 /nfs/dbraw/zinc/31/28/01/560312801.db2.gz XBBQMDIEOLDNPP-NRFANRHFSA-N 2 2 371.500 2.443 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533866 560312802 /nfs/dbraw/zinc/31/28/02/560312802.db2.gz XBBQMDIEOLDNPP-NRFANRHFSA-N 2 2 371.500 2.443 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)CC1 ZINC000451533866 560312803 /nfs/dbraw/zinc/31/28/03/560312803.db2.gz XBBQMDIEOLDNPP-NRFANRHFSA-N 2 2 371.500 2.443 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541691 560313255 /nfs/dbraw/zinc/31/32/55/560313255.db2.gz ZWQKAHBKUOWABO-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541691 560313256 /nfs/dbraw/zinc/31/32/56/560313256.db2.gz ZWQKAHBKUOWABO-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541691 560313257 /nfs/dbraw/zinc/31/32/57/560313257.db2.gz ZWQKAHBKUOWABO-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP Cc1cc(C#N)cc(NC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000455957947 560502125 /nfs/dbraw/zinc/50/21/25/560502125.db2.gz QXRAYUNCUSKQED-INIZCTEOSA-N 2 2 355.486 2.499 20 30 FEEDLP Cc1cc(C#N)cc(NC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000455957947 560502126 /nfs/dbraw/zinc/50/21/26/560502126.db2.gz QXRAYUNCUSKQED-INIZCTEOSA-N 2 2 355.486 2.499 20 30 FEEDLP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000473174085 561043503 /nfs/dbraw/zinc/04/35/03/561043503.db2.gz NCIFSENQEXZGQT-UHFFFAOYSA-N 2 2 357.502 2.117 20 30 FEEDLP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000473174085 561043504 /nfs/dbraw/zinc/04/35/04/561043504.db2.gz NCIFSENQEXZGQT-UHFFFAOYSA-N 2 2 357.502 2.117 20 30 FEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)C ZINC000603287928 568083060 /nfs/dbraw/zinc/08/30/60/568083060.db2.gz YNWWGEVHTHPENA-QGZVFWFLSA-N 2 2 354.458 2.091 20 30 FEEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000570955800 670792676 /nfs/dbraw/zinc/79/26/76/670792676.db2.gz HWQMXJXFDBQOTF-SFHVURJKSA-N 2 2 363.527 2.290 20 30 FEEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000570955800 670792680 /nfs/dbraw/zinc/79/26/80/670792680.db2.gz HWQMXJXFDBQOTF-SFHVURJKSA-N 2 2 363.527 2.290 20 30 FEEDLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nc(C#N)cs2)CC1 ZINC000584333498 672177668 /nfs/dbraw/zinc/17/76/68/672177668.db2.gz KXYDQCBZYZBFHC-UHFFFAOYSA-N 2 2 363.531 2.075 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N(C)C[C@@H]1CCOC1 ZINC000261623308 672900389 /nfs/dbraw/zinc/90/03/89/672900389.db2.gz IGMPPYXJGBAQOE-GJZGRUSLSA-N 2 2 350.532 2.038 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N(C)C[C@@H]1CCOC1 ZINC000261623308 672900392 /nfs/dbraw/zinc/90/03/92/672900392.db2.gz IGMPPYXJGBAQOE-GJZGRUSLSA-N 2 2 350.532 2.038 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N1CC[C@]2(CCOC2)C1 ZINC000261974426 672906603 /nfs/dbraw/zinc/90/66/03/672906603.db2.gz NJKHZSGPMVYMBX-KXBFYZLASA-N 2 2 362.543 2.183 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N1CC[C@]2(CCOC2)C1 ZINC000261974426 672906605 /nfs/dbraw/zinc/90/66/05/672906605.db2.gz NJKHZSGPMVYMBX-KXBFYZLASA-N 2 2 362.543 2.183 20 30 FEEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000548908173 674005512 /nfs/dbraw/zinc/00/55/12/674005512.db2.gz CJBBKKZNHWBDIT-CALCHBBNSA-N 2 2 363.527 2.290 20 30 FEEDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000548908173 674005515 /nfs/dbraw/zinc/00/55/15/674005515.db2.gz CJBBKKZNHWBDIT-CALCHBBNSA-N 2 2 363.527 2.290 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033837896 680425678 /nfs/dbraw/zinc/42/56/78/680425678.db2.gz KQXWSQDIVQXEAJ-RBSFLKMASA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033837896 680425680 /nfs/dbraw/zinc/42/56/80/680425680.db2.gz KQXWSQDIVQXEAJ-RBSFLKMASA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033837896 680425681 /nfs/dbraw/zinc/42/56/81/680425681.db2.gz KQXWSQDIVQXEAJ-RBSFLKMASA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033837896 680425683 /nfs/dbraw/zinc/42/56/83/680425683.db2.gz KQXWSQDIVQXEAJ-RBSFLKMASA-N 2 2 358.324 2.158 20 30 FEEDLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000855414760 682667399 /nfs/dbraw/zinc/66/73/99/682667399.db2.gz KWYHOTYCAAFPGC-UHFFFAOYSA-N 2 2 355.404 2.057 20 30 FEEDLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000855414760 682667402 /nfs/dbraw/zinc/66/74/02/682667402.db2.gz KWYHOTYCAAFPGC-UHFFFAOYSA-N 2 2 355.404 2.057 20 30 FEEDLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722804 686253756 /nfs/dbraw/zinc/25/37/56/686253756.db2.gz FMUMMHRKVPKYAC-ZWKOTPCHSA-N 2 2 354.479 2.226 20 30 FEEDLP C[C@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050798866 540414956 /nfs/dbraw/zinc/41/49/56/540414956.db2.gz YUGLXWWMAZIWEL-INIZCTEOSA-N 2 2 370.497 2.000 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)CC1 ZINC000107178263 543262843 /nfs/dbraw/zinc/26/28/43/543262843.db2.gz VPAIVRNLMQWPEV-UHFFFAOYSA-N 2 2 354.498 2.423 20 30 FEEDLP CC(C)(C)C[N@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000109813121 543340143 /nfs/dbraw/zinc/34/01/43/543340143.db2.gz BTZWCKXFKYQIOX-UHFFFAOYSA-N 2 2 357.502 2.382 20 30 FEEDLP CC(C)(C)C[N@@H+](CCC#N)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000109813121 543340145 /nfs/dbraw/zinc/34/01/45/543340145.db2.gz BTZWCKXFKYQIOX-UHFFFAOYSA-N 2 2 357.502 2.382 20 30 FEEDLP CC1CC[NH+](C[C@@H]2CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000118832773 543660421 /nfs/dbraw/zinc/66/04/21/543660421.db2.gz QOBMTKRBQYTGRD-IBGZPJMESA-N 2 2 359.518 2.086 20 30 FEEDLP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000118832773 543660423 /nfs/dbraw/zinc/66/04/23/543660423.db2.gz QOBMTKRBQYTGRD-IBGZPJMESA-N 2 2 359.518 2.086 20 30 FEEDLP C=CCc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc(OC)c1O ZINC000119517592 543668810 /nfs/dbraw/zinc/66/88/10/543668810.db2.gz LVZZWPIEDAULGE-UHFFFAOYSA-N 2 2 359.514 2.343 20 30 FEEDLP C=CCC[C@@H](CC)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127804269 544014548 /nfs/dbraw/zinc/01/45/48/544014548.db2.gz YGYZJIBYUKAXSK-GOSISDBHSA-N 2 2 365.543 2.457 20 30 FEEDLP Cc1[nH+]cc(CN(CCC#N)CC[NH+]2CCOCC2)n1-c1ccccc1 ZINC000154751979 544944608 /nfs/dbraw/zinc/94/46/08/544944608.db2.gz KFLHJOPDKOKDQP-UHFFFAOYSA-N 2 2 353.470 2.229 20 30 FEEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2ccccc2C#N)CC1 ZINC000153910871 326746107 /nfs/dbraw/zinc/74/61/07/326746107.db2.gz NGAJAVGYUJJINV-RTBURBONSA-N 2 2 356.514 2.427 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3nc4c(cc3C#N)CCC4)CC2)CC1 ZINC000269321522 329507572 /nfs/dbraw/zinc/50/75/72/329507572.db2.gz JGZORYJWWOFYAT-UHFFFAOYSA-N 2 2 353.514 2.437 20 30 FEEDLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478261607 561163377 /nfs/dbraw/zinc/16/33/77/561163377.db2.gz XWRSYLZYAJXGKT-INIZCTEOSA-N 2 2 353.470 2.159 20 30 FEEDLP Cc1cc[nH+]c(N2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)c1 ZINC000164047884 546148763 /nfs/dbraw/zinc/14/87/63/546148763.db2.gz WVTDKGKTPRTARD-LJQANCHMSA-N 2 2 366.465 2.018 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000171738665 546223589 /nfs/dbraw/zinc/22/35/89/546223589.db2.gz GNBWGEDOWKCSKU-UHFFFAOYSA-N 2 2 372.513 2.173 20 30 FEEDLP CN(C)C(=O)C[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481923557 561245427 /nfs/dbraw/zinc/24/54/27/561245427.db2.gz PMPSZNCDNDCEGJ-FQEVSTJZSA-N 2 2 354.498 2.468 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571814 547515391 /nfs/dbraw/zinc/51/53/91/547515391.db2.gz APIWIKDRJDTLOB-WRURNZQNSA-N 2 2 362.562 2.042 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571814 547515394 /nfs/dbraw/zinc/51/53/94/547515394.db2.gz APIWIKDRJDTLOB-WRURNZQNSA-N 2 2 362.562 2.042 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571814 547515397 /nfs/dbraw/zinc/51/53/97/547515397.db2.gz APIWIKDRJDTLOB-WRURNZQNSA-N 2 2 362.562 2.042 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571814 547515401 /nfs/dbraw/zinc/51/54/01/547515401.db2.gz APIWIKDRJDTLOB-WRURNZQNSA-N 2 2 362.562 2.042 20 30 FEEDLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343558 549110334 /nfs/dbraw/zinc/11/03/34/549110334.db2.gz JINXPQICPKMGQB-OALUTQOASA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343558 549110337 /nfs/dbraw/zinc/11/03/37/549110337.db2.gz JINXPQICPKMGQB-OALUTQOASA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343558 549110339 /nfs/dbraw/zinc/11/03/39/549110339.db2.gz JINXPQICPKMGQB-OALUTQOASA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000246343558 549110343 /nfs/dbraw/zinc/11/03/43/549110343.db2.gz JINXPQICPKMGQB-OALUTQOASA-N 2 2 359.518 2.229 20 30 FEEDLP C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248823808 549507969 /nfs/dbraw/zinc/50/79/69/549507969.db2.gz FXYSBLFRXXLCOB-QZTJIDSGSA-N 2 2 357.564 2.161 20 30 FEEDLP C=C(C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248823808 549507971 /nfs/dbraw/zinc/50/79/71/549507971.db2.gz FXYSBLFRXXLCOB-QZTJIDSGSA-N 2 2 357.564 2.161 20 30 FEEDLP C=CCNC(=O)C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000272675888 550464412 /nfs/dbraw/zinc/46/44/12/550464412.db2.gz RDAFTEHIKUPNSA-UHFFFAOYSA-N 2 2 356.470 2.476 20 30 FEEDLP C=CCNC(=O)C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000272675888 550464413 /nfs/dbraw/zinc/46/44/13/550464413.db2.gz RDAFTEHIKUPNSA-UHFFFAOYSA-N 2 2 356.470 2.476 20 30 FEEDLP C#CC[N@H+](C)CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296841940 553219084 /nfs/dbraw/zinc/21/90/84/553219084.db2.gz JHPZQOJJPUMZHS-QGZVFWFLSA-N 2 2 357.502 2.064 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000296841940 553219085 /nfs/dbraw/zinc/21/90/85/553219085.db2.gz JHPZQOJJPUMZHS-QGZVFWFLSA-N 2 2 357.502 2.064 20 30 FEEDLP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000328959233 553853514 /nfs/dbraw/zinc/85/35/14/553853514.db2.gz JYSFNHXMDXUUOS-KZNAEPCWSA-N 2 2 359.518 2.136 20 30 FEEDLP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+]1CCSCC1 ZINC000329209592 553902644 /nfs/dbraw/zinc/90/26/44/553902644.db2.gz YLRRMPRQZMKNAS-YQQAZPJKSA-N 2 2 365.547 2.197 20 30 FEEDLP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+]1CCSCC1 ZINC000329209592 553902646 /nfs/dbraw/zinc/90/26/46/553902646.db2.gz YLRRMPRQZMKNAS-YQQAZPJKSA-N 2 2 365.547 2.197 20 30 FEEDLP CN(Cc1[nH+]ccn1C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000329385677 553935884 /nfs/dbraw/zinc/93/58/84/553935884.db2.gz PJRJVZRMLNFPEG-UHFFFAOYSA-N 2 2 351.520 2.128 20 30 FEEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)[C@@H]2C1 ZINC000329588624 553972559 /nfs/dbraw/zinc/97/25/59/553972559.db2.gz YZKKXRYVRYCCAN-RTBURBONSA-N 2 2 367.497 2.414 20 30 FEEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)[C@@H]2C1 ZINC000329588624 553972561 /nfs/dbraw/zinc/97/25/61/553972561.db2.gz YZKKXRYVRYCCAN-RTBURBONSA-N 2 2 367.497 2.414 20 30 FEEDLP Cc1ccc2[nH+]c(CNC(=O)Nc3ccn(C4CC[NH+](C)CC4)n3)cn2c1 ZINC000329736362 553997257 /nfs/dbraw/zinc/99/72/57/553997257.db2.gz SNLGQTHQFZSZSS-UHFFFAOYSA-N 2 2 367.457 2.632 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329786187 554005389 /nfs/dbraw/zinc/00/53/89/554005389.db2.gz XPZUIPVZELQCBI-FMKPAKJESA-N 2 2 359.518 2.482 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC([O-])=[NH+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329786187 554005392 /nfs/dbraw/zinc/00/53/92/554005392.db2.gz XPZUIPVZELQCBI-FMKPAKJESA-N 2 2 359.518 2.482 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329786187 554005395 /nfs/dbraw/zinc/00/53/95/554005395.db2.gz XPZUIPVZELQCBI-FMKPAKJESA-N 2 2 359.518 2.482 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000329786187 554005398 /nfs/dbraw/zinc/00/53/98/554005398.db2.gz XPZUIPVZELQCBI-FMKPAKJESA-N 2 2 359.518 2.482 20 30 FEEDLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000329951636 554037744 /nfs/dbraw/zinc/03/77/44/554037744.db2.gz MOPAHXOGZREYAA-IBGZPJMESA-N 2 2 366.550 2.254 20 30 FEEDLP CCN1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329999321 554046910 /nfs/dbraw/zinc/04/69/10/554046910.db2.gz UNJPKRSBYQLRSH-MRXNPFEDSA-N 2 2 362.522 2.124 20 30 FEEDLP C[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332402310 554439790 /nfs/dbraw/zinc/43/97/90/554439790.db2.gz WBLQSKJPHKCEPK-KXBFYZLASA-N 2 2 355.486 2.235 20 30 FEEDLP C[C@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332402310 554439791 /nfs/dbraw/zinc/43/97/91/554439791.db2.gz WBLQSKJPHKCEPK-KXBFYZLASA-N 2 2 355.486 2.235 20 30 FEEDLP N#CCCn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719980 554983753 /nfs/dbraw/zinc/98/37/53/554983753.db2.gz QSEXEWYMBLTIPS-VQTJNVASSA-N 2 2 365.481 2.417 20 30 FEEDLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000511771448 561880318 /nfs/dbraw/zinc/88/03/18/561880318.db2.gz RSEFBJHOXLDBCD-FGTMMUONSA-N 2 2 354.498 2.464 20 30 FEEDLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511771448 561880319 /nfs/dbraw/zinc/88/03/19/561880319.db2.gz RSEFBJHOXLDBCD-FGTMMUONSA-N 2 2 354.498 2.464 20 30 FEEDLP C=CCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000512904273 561919596 /nfs/dbraw/zinc/91/95/96/561919596.db2.gz QBXXXKLSMRFADM-YQQQUEKLSA-N 2 2 357.498 2.425 20 30 FEEDLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1C#N ZINC000366929029 555973828 /nfs/dbraw/zinc/97/38/28/555973828.db2.gz XZIZRESRAATVFH-YLJYHZDGSA-N 2 2 353.470 2.473 20 30 FEEDLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1C#N ZINC000366929029 555973830 /nfs/dbraw/zinc/97/38/30/555973830.db2.gz XZIZRESRAATVFH-YLJYHZDGSA-N 2 2 353.470 2.473 20 30 FEEDLP C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368615654 556363930 /nfs/dbraw/zinc/36/39/30/556363930.db2.gz AVWCYBVIDUAOSN-WOJBJXKFSA-N 2 2 368.525 2.089 20 30 FEEDLP C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368615654 556363932 /nfs/dbraw/zinc/36/39/32/556363932.db2.gz AVWCYBVIDUAOSN-WOJBJXKFSA-N 2 2 368.525 2.089 20 30 FEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369519195 556618472 /nfs/dbraw/zinc/61/84/72/556618472.db2.gz PIEOZYFNINHHQI-RCCFBDPRSA-N 2 2 373.545 2.023 20 30 FEEDLP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C#N ZINC000369746433 556683821 /nfs/dbraw/zinc/68/38/21/556683821.db2.gz VZCHEUQVPZDOOI-YOFSQIOKSA-N 2 2 352.482 2.250 20 30 FEEDLP Cc1ccc(C(=O)N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C#N ZINC000369746433 556683824 /nfs/dbraw/zinc/68/38/24/556683824.db2.gz VZCHEUQVPZDOOI-YOFSQIOKSA-N 2 2 352.482 2.250 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N(CC)[C@H](c2[nH+]ccn2C)c2cccnc2)CC1 ZINC000370863636 556994461 /nfs/dbraw/zinc/99/44/61/556994461.db2.gz XHINAKHZRFXIMM-IBGZPJMESA-N 2 2 365.481 2.098 20 30 FEEDLP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000519854827 562146563 /nfs/dbraw/zinc/14/65/63/562146563.db2.gz CFKZHQMGXAQIBK-GASCZTMLSA-N 2 2 364.515 2.105 20 30 FEEDLP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000519854827 562146564 /nfs/dbraw/zinc/14/65/64/562146564.db2.gz CFKZHQMGXAQIBK-GASCZTMLSA-N 2 2 364.515 2.105 20 30 FEEDLP C[N@@H+]1CCN(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C(=O)C1 ZINC000374737635 557923414 /nfs/dbraw/zinc/92/34/14/557923414.db2.gz TZXYIUOLQUQWPX-UHFFFAOYSA-N 2 2 370.497 2.108 20 30 FEEDLP C[N@H+]1CCN(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)C(=O)C1 ZINC000374737635 557923415 /nfs/dbraw/zinc/92/34/15/557923415.db2.gz TZXYIUOLQUQWPX-UHFFFAOYSA-N 2 2 370.497 2.108 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000375737227 558074892 /nfs/dbraw/zinc/07/48/92/558074892.db2.gz AGYVVKDEJYUGAL-GOSISDBHSA-N 2 2 372.488 2.260 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000375737227 558074893 /nfs/dbraw/zinc/07/48/93/558074893.db2.gz AGYVVKDEJYUGAL-GOSISDBHSA-N 2 2 372.488 2.260 20 30 FEEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359262 562532697 /nfs/dbraw/zinc/53/26/97/562532697.db2.gz HCBQSBPDICDUDK-RTBURBONSA-N 2 2 357.502 2.296 20 30 FEEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359262 562532698 /nfs/dbraw/zinc/53/26/98/562532698.db2.gz HCBQSBPDICDUDK-RTBURBONSA-N 2 2 357.502 2.296 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603294460 673922687 /nfs/dbraw/zinc/92/26/87/673922687.db2.gz VBYFTXPVPWJHFH-CYBMUJFWSA-N 2 2 364.291 2.296 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3cc(C#N)c(Br)cn3)C2)CC1 ZINC000603294460 673922688 /nfs/dbraw/zinc/92/26/88/673922688.db2.gz VBYFTXPVPWJHFH-CYBMUJFWSA-N 2 2 364.291 2.296 20 30 FEEDLP C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997762936 680365342 /nfs/dbraw/zinc/36/53/42/680365342.db2.gz QMVNDSCMSPOGKS-NUEKZKHPSA-N 2 2 350.894 2.493 20 30 FEEDLP N#Cc1ccsc1NC(=O)CC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931293218 684256741 /nfs/dbraw/zinc/25/67/41/684256741.db2.gz UPUCEKBGIOVQAI-UHFFFAOYSA-N 2 2 362.499 2.135 20 30 FEEDLP N#Cc1ccsc1NC(=O)CC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931293218 684256744 /nfs/dbraw/zinc/25/67/44/684256744.db2.gz UPUCEKBGIOVQAI-UHFFFAOYSA-N 2 2 362.499 2.135 20 30 FEEDLP C=CC[NH+](CC=C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000051767140 540444261 /nfs/dbraw/zinc/44/42/61/540444261.db2.gz TYICWJCUSBQMSF-UHFFFAOYSA-N 2 2 357.502 2.231 20 30 FEEDLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C#N)CC2)CC1 ZINC000057875355 540821109 /nfs/dbraw/zinc/82/11/09/540821109.db2.gz GUQLEFIBQLURIR-UHFFFAOYSA-N 2 2 354.498 2.311 20 30 FEEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109771 542234232 /nfs/dbraw/zinc/23/42/32/542234232.db2.gz QJZFLFPQOUIYHE-GHTZIAJQSA-N 2 2 354.498 2.249 20 30 FEEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109771 542234236 /nfs/dbraw/zinc/23/42/36/542234236.db2.gz QJZFLFPQOUIYHE-GHTZIAJQSA-N 2 2 354.498 2.249 20 30 FEEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109771 542234240 /nfs/dbraw/zinc/23/42/40/542234240.db2.gz QJZFLFPQOUIYHE-GHTZIAJQSA-N 2 2 354.498 2.249 20 30 FEEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109771 542234244 /nfs/dbraw/zinc/23/42/44/542234244.db2.gz QJZFLFPQOUIYHE-GHTZIAJQSA-N 2 2 354.498 2.249 20 30 FEEDLP C[N@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968597 542620432 /nfs/dbraw/zinc/62/04/32/542620432.db2.gz AWZLJWJXDSLWDH-LJQANCHMSA-N 2 2 366.465 2.294 20 30 FEEDLP C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968597 542620436 /nfs/dbraw/zinc/62/04/36/542620436.db2.gz AWZLJWJXDSLWDH-LJQANCHMSA-N 2 2 366.465 2.294 20 30 FEEDLP Cn1cc[nH+]c1N1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000089926810 542774526 /nfs/dbraw/zinc/77/45/26/542774526.db2.gz HYRTYZALJXSIGF-UHFFFAOYSA-N 2 2 364.371 2.492 20 30 FEEDLP C=CCOc1ccccc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000111886118 543423582 /nfs/dbraw/zinc/42/35/82/543423582.db2.gz QXJYTEXNDJZRNX-UHFFFAOYSA-N 2 2 374.529 2.419 20 30 FEEDLP C=CCOc1ccccc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000111886118 543423583 /nfs/dbraw/zinc/42/35/83/543423583.db2.gz QXJYTEXNDJZRNX-UHFFFAOYSA-N 2 2 374.529 2.419 20 30 FEEDLP N#Cc1ccc2[nH+]cc(CNc3cccc(C[N@H+]4CCC[C@@H]4C(N)=O)c3)n2c1 ZINC000120124835 543676271 /nfs/dbraw/zinc/67/62/71/543676271.db2.gz VXKJCWLEKBQXER-LJQANCHMSA-N 2 2 374.448 2.268 20 30 FEEDLP N#Cc1ccc2[nH+]cc(CNc3cccc(C[N@@H+]4CCC[C@@H]4C(N)=O)c3)n2c1 ZINC000120124835 543676273 /nfs/dbraw/zinc/67/62/73/543676273.db2.gz VXKJCWLEKBQXER-LJQANCHMSA-N 2 2 374.448 2.268 20 30 FEEDLP C=CCNc1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000128382092 544049283 /nfs/dbraw/zinc/04/92/83/544049283.db2.gz BBOZNEZVPLFZSD-UHFFFAOYSA-N 2 2 363.531 2.029 20 30 FEEDLP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188293663 328078978 /nfs/dbraw/zinc/07/89/78/328078978.db2.gz MFVQDTXUNCIRBN-FCHUYYIVSA-N 2 2 365.477 2.160 20 30 FEEDLP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188293663 328078979 /nfs/dbraw/zinc/07/89/79/328078979.db2.gz MFVQDTXUNCIRBN-FCHUYYIVSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188293663 328078980 /nfs/dbraw/zinc/07/89/80/328078980.db2.gz MFVQDTXUNCIRBN-FCHUYYIVSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188293663 328078981 /nfs/dbraw/zinc/07/89/81/328078981.db2.gz MFVQDTXUNCIRBN-FCHUYYIVSA-N 2 2 365.477 2.160 20 30 FEEDLP CCc1nnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C#N)c1CC ZINC000268125606 329387773 /nfs/dbraw/zinc/38/77/73/329387773.db2.gz DAFIHUGTZUODSF-UHFFFAOYSA-N 2 2 356.518 2.444 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000187014492 548241140 /nfs/dbraw/zinc/24/11/40/548241140.db2.gz LRFDXEOEUVOULB-APWZRJJASA-N 2 2 358.486 2.223 20 30 FEEDLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000187014492 548241145 /nfs/dbraw/zinc/24/11/45/548241145.db2.gz LRFDXEOEUVOULB-APWZRJJASA-N 2 2 358.486 2.223 20 30 FEEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000245533029 548940816 /nfs/dbraw/zinc/94/08/16/548940816.db2.gz UXGSFROGCODYRI-ICSRJNTNSA-N 2 2 352.482 2.471 20 30 FEEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000245533029 548940817 /nfs/dbraw/zinc/94/08/17/548940817.db2.gz UXGSFROGCODYRI-ICSRJNTNSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262007076 549779734 /nfs/dbraw/zinc/77/97/34/549779734.db2.gz VWAKUAHVORHJET-STQMWFEESA-N 2 2 351.405 2.133 20 30 FEEDLP CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262019197 549780306 /nfs/dbraw/zinc/78/03/06/549780306.db2.gz YKXNLEIFIGIBEE-AEFFLSMTSA-N 2 2 369.517 2.465 20 30 FEEDLP COc1cc(C#N)ccc1OCCO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267019194 550026373 /nfs/dbraw/zinc/02/63/73/550026373.db2.gz PWVJFUKGZGLHRS-UHFFFAOYSA-N 2 2 368.437 2.344 20 30 FEEDLP C#CCn1ccc(C[N@H+](CC)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000279728239 550922357 /nfs/dbraw/zinc/92/23/57/550922357.db2.gz MWIYATMODNSPCX-LJQANCHMSA-N 2 2 365.481 2.366 20 30 FEEDLP C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)n1 ZINC000279728239 550922359 /nfs/dbraw/zinc/92/23/59/550922359.db2.gz MWIYATMODNSPCX-LJQANCHMSA-N 2 2 365.481 2.366 20 30 FEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000285577784 551777544 /nfs/dbraw/zinc/77/75/44/551777544.db2.gz GZZFEMXVQGQUCL-TZUVLKIQSA-N 2 2 358.461 2.432 20 30 FEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(C#N)c(F)c1 ZINC000285577784 551777546 /nfs/dbraw/zinc/77/75/46/551777546.db2.gz GZZFEMXVQGQUCL-TZUVLKIQSA-N 2 2 358.461 2.432 20 30 FEEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502502124 561619923 /nfs/dbraw/zinc/61/99/23/561619923.db2.gz WRUVGRSBAGLMMK-QGZVFWFLSA-N 2 2 352.482 2.200 20 30 FEEDLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502502124 561619924 /nfs/dbraw/zinc/61/99/24/561619924.db2.gz WRUVGRSBAGLMMK-QGZVFWFLSA-N 2 2 352.482 2.200 20 30 FEEDLP NC(=[NH+]OCC(=O)NCc1ccco1)c1ccccc1C[NH+]1CCCCC1 ZINC000299385759 553556012 /nfs/dbraw/zinc/55/60/12/553556012.db2.gz YALQLGYXNNGRHF-UHFFFAOYSA-N 2 2 370.453 2.219 20 30 FEEDLP CCn1nc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C1CC1 ZINC000328606604 553795426 /nfs/dbraw/zinc/79/54/26/553795426.db2.gz KNXFEOKKEQMLBN-UHFFFAOYSA-N 2 2 374.533 2.665 20 30 FEEDLP O=C(NC1CC[NH+](Cc2ccccn2)CC1)C1([NH+]2CCOCC2)CCC1 ZINC000329118914 553883444 /nfs/dbraw/zinc/88/34/44/553883444.db2.gz VDRNZDYLCBXNOX-UHFFFAOYSA-N 2 2 358.486 2.257 20 30 FEEDLP Cc1nc(C[N@@H+]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000330202414 554084303 /nfs/dbraw/zinc/08/43/03/554084303.db2.gz ZGLROFPSPHKKEJ-HNNXBMFYSA-N 2 2 374.514 2.085 20 30 FEEDLP Cc1nc(C[N@H+]2CCCN(C([O-])=[NH+][C@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000330202414 554084305 /nfs/dbraw/zinc/08/43/05/554084305.db2.gz ZGLROFPSPHKKEJ-HNNXBMFYSA-N 2 2 374.514 2.085 20 30 FEEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C#N)c3F)CC2)CC1 ZINC000332542886 554468443 /nfs/dbraw/zinc/46/84/43/554468443.db2.gz LOSPZCMHCVVTHI-UHFFFAOYSA-N 2 2 358.461 2.073 20 30 FEEDLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998501 554858936 /nfs/dbraw/zinc/85/89/36/554858936.db2.gz XDQWURAMHSJKFN-PMACEKPBSA-N 2 2 365.481 2.302 20 30 FEEDLP Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998501 554858939 /nfs/dbraw/zinc/85/89/39/554858939.db2.gz XDQWURAMHSJKFN-PMACEKPBSA-N 2 2 365.481 2.302 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702513 555167884 /nfs/dbraw/zinc/16/78/84/555167884.db2.gz BZIPAPZAIGFVGD-GIYDNNGJSA-N 2 2 370.497 2.364 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702513 555167887 /nfs/dbraw/zinc/16/78/87/555167887.db2.gz BZIPAPZAIGFVGD-GIYDNNGJSA-N 2 2 370.497 2.364 20 30 FEEDLP COc1ccc(C[N@H+](C)C2CC[NH+](CCO)CC2)cc1OCCCC#N ZINC000513557634 561942565 /nfs/dbraw/zinc/94/25/65/561942565.db2.gz GSEBSUXYLIJWNA-UHFFFAOYSA-N 2 2 361.486 2.266 20 30 FEEDLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCO)CC2)cc1OCCCC#N ZINC000513557634 561942567 /nfs/dbraw/zinc/94/25/67/561942567.db2.gz GSEBSUXYLIJWNA-UHFFFAOYSA-N 2 2 361.486 2.266 20 30 FEEDLP C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370147555 556793522 /nfs/dbraw/zinc/79/35/22/556793522.db2.gz DNTHEZAFAVRWQC-NQIIRXRSSA-N 2 2 356.514 2.285 20 30 FEEDLP C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370147555 556793525 /nfs/dbraw/zinc/79/35/25/556793525.db2.gz DNTHEZAFAVRWQC-NQIIRXRSSA-N 2 2 356.514 2.285 20 30 FEEDLP CCC[NH+]1CCC([NH+]2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000374010262 557806823 /nfs/dbraw/zinc/80/68/23/557806823.db2.gz AWHWTJUQUVBFDZ-UHFFFAOYSA-N 2 2 357.458 2.463 20 30 FEEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)c(F)c3)cc2)CC1 ZINC000421334601 559539498 /nfs/dbraw/zinc/53/94/98/559539498.db2.gz QIXAFMPNCBRFNS-UHFFFAOYSA-N 2 2 366.440 2.375 20 30 FEEDLP Cc1cc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)c(C#N)c[nH+]1 ZINC000425206031 559691171 /nfs/dbraw/zinc/69/11/71/559691171.db2.gz KKXUFMQYOIVZNQ-UHFFFAOYSA-N 2 2 355.486 2.080 20 30 FEEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527378215 562287269 /nfs/dbraw/zinc/28/72/69/562287269.db2.gz KCTJPAMKYJZZTJ-MRXNPFEDSA-N 2 2 351.454 2.372 20 30 FEEDLP Cc1[nH+]c2ccccc2n1C[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527378215 562287270 /nfs/dbraw/zinc/28/72/70/562287270.db2.gz KCTJPAMKYJZZTJ-MRXNPFEDSA-N 2 2 351.454 2.372 20 30 FEEDLP C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccc(C(C)C)cc2)CC1 ZINC000451603433 560316898 /nfs/dbraw/zinc/31/68/98/560316898.db2.gz ZOCABCUXFZZZRN-RTWAWAEBSA-N 2 2 371.525 2.387 20 30 FEEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107633 560351660 /nfs/dbraw/zinc/35/16/60/560351660.db2.gz BUSUUZFBEZCFGK-MRXNPFEDSA-N 2 2 360.424 2.143 20 30 FEEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107633 560351661 /nfs/dbraw/zinc/35/16/61/560351661.db2.gz BUSUUZFBEZCFGK-MRXNPFEDSA-N 2 2 360.424 2.143 20 30 FEEDLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 ZINC000476826017 561129330 /nfs/dbraw/zinc/12/93/30/561129330.db2.gz YSXHFDJOZSBIQQ-QGZVFWFLSA-N 2 2 364.534 2.197 20 30 FEEDLP C[NH+]1CCC(CNC(=O)N2CCC(CC#N)CC2)([NH+]2CCCCC2)CC1 ZINC000541038021 562600980 /nfs/dbraw/zinc/60/09/80/562600980.db2.gz XLGJDNYNUUBSAI-UHFFFAOYSA-N 2 2 361.534 2.272 20 30 FEEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000601970133 567890402 /nfs/dbraw/zinc/89/04/02/567890402.db2.gz YJAZOXBBRFSJLG-LEWJYISDSA-N 2 2 358.530 2.227 20 30 FEEDLP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601970133 567890404 /nfs/dbraw/zinc/89/04/04/567890404.db2.gz YJAZOXBBRFSJLG-LEWJYISDSA-N 2 2 358.530 2.227 20 30 FEEDLP COc1ccc([C@@H](CNC(=O)C[NH2+][C@H](C)CC#N)[NH+]2CCCCC2)cc1 ZINC000602864630 568008001 /nfs/dbraw/zinc/00/80/01/568008001.db2.gz TVRDVJFVZFNBAR-VQIMIIECSA-N 2 2 358.486 2.230 20 30 FEEDLP C=CCCOCCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678840920 672447532 /nfs/dbraw/zinc/44/75/32/672447532.db2.gz KNKAYUMKNUHTAN-IBGZPJMESA-N 2 2 351.535 2.376 20 30 FEEDLP C=CCCOCCCCC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678840920 672447533 /nfs/dbraw/zinc/44/75/33/672447533.db2.gz KNKAYUMKNUHTAN-IBGZPJMESA-N 2 2 351.535 2.376 20 30 FEEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000730281313 673268642 /nfs/dbraw/zinc/26/86/42/673268642.db2.gz IHQYRPWVMOVHOA-IBGZPJMESA-N 2 2 357.523 2.314 20 30 FEEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000730281313 673268645 /nfs/dbraw/zinc/26/86/45/673268645.db2.gz IHQYRPWVMOVHOA-IBGZPJMESA-N 2 2 357.523 2.314 20 30 FEEDLP C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC000997311436 680351834 /nfs/dbraw/zinc/35/18/34/680351834.db2.gz QMVNDSCMSPOGKS-FVQBIDKESA-N 2 2 350.894 2.493 20 30 FEEDLP C=C(Br)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892948 680363747 /nfs/dbraw/zinc/36/37/47/680363747.db2.gz IFHLBFMOVGGRQR-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027892948 680363750 /nfs/dbraw/zinc/36/37/50/680363750.db2.gz IFHLBFMOVGGRQR-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027892948 680363752 /nfs/dbraw/zinc/36/37/52/680363752.db2.gz IFHLBFMOVGGRQR-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027892948 680363755 /nfs/dbraw/zinc/36/37/55/680363755.db2.gz IFHLBFMOVGGRQR-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(C)C[N@@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046974062 680655009 /nfs/dbraw/zinc/65/50/09/680655009.db2.gz DCKAJWQLTUBPES-RBSFLKMASA-N 2 2 352.429 2.173 20 30 FEEDLP C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046974062 680655012 /nfs/dbraw/zinc/65/50/12/680655012.db2.gz DCKAJWQLTUBPES-RBSFLKMASA-N 2 2 352.429 2.173 20 30 FEEDLP C[NH2+]C[C@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530520 684299816 /nfs/dbraw/zinc/29/98/16/684299816.db2.gz FAGZSFIBWXJEIU-YIZRAAEISA-N 2 2 370.284 2.060 20 30 FEEDLP C[NH2+]C[C@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530520 684299817 /nfs/dbraw/zinc/29/98/17/684299817.db2.gz FAGZSFIBWXJEIU-YIZRAAEISA-N 2 2 370.284 2.060 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2ccc(OCC)cc2)CC1 ZINC000876714850 686251498 /nfs/dbraw/zinc/25/14/98/686251498.db2.gz CWOOKIUXWQEWMW-QGZVFWFLSA-N 2 2 351.878 2.199 20 30 FEEDLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884320950 687847644 /nfs/dbraw/zinc/84/76/44/687847644.db2.gz BGJSBNHCLFKLHO-WAZRQNRBSA-N 2 2 358.511 2.093 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H](c2[nH+]ccn2C)c2cccc(F)c2)CC1 ZINC000057154061 540773603 /nfs/dbraw/zinc/77/36/03/540773603.db2.gz RRLWWAXUIUQFDU-GOSISDBHSA-N 2 2 354.429 2.110 20 30 FEEDLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000074917542 542136144 /nfs/dbraw/zinc/13/61/44/542136144.db2.gz OLZPRGCQKAKKKK-INIZCTEOSA-N 2 2 357.502 2.287 20 30 FEEDLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000074917542 542136149 /nfs/dbraw/zinc/13/61/49/542136149.db2.gz OLZPRGCQKAKKKK-INIZCTEOSA-N 2 2 357.502 2.287 20 30 FEEDLP C[C@H]1C[NH+](Cc2ccc(C(=O)NC3(C#N)CC[NH+](C)CC3)cc2)C[C@H](C)O1 ZINC000077039783 542342660 /nfs/dbraw/zinc/34/26/60/542342660.db2.gz FFEOGHXSEVEJNS-IRXDYDNUSA-N 2 2 370.497 2.014 20 30 FEEDLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000079633792 542533131 /nfs/dbraw/zinc/53/31/31/542533131.db2.gz CMKILCGYADACCH-SFHVURJKSA-N 2 2 369.513 2.117 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000087497161 542746363 /nfs/dbraw/zinc/74/63/63/542746363.db2.gz LGCJMJPQBDDLNO-NEPJUHHUSA-N 2 2 360.428 2.272 20 30 FEEDLP CN(C(=O)c1ccc(C#N)nc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124595295 543831725 /nfs/dbraw/zinc/83/17/25/543831725.db2.gz YPJNHDLRPXOZQT-PMACEKPBSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccc(C#N)nc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124595295 543831727 /nfs/dbraw/zinc/83/17/27/543831727.db2.gz YPJNHDLRPXOZQT-PMACEKPBSA-N 2 2 369.513 2.362 20 30 FEEDLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000124860442 543847018 /nfs/dbraw/zinc/84/70/18/543847018.db2.gz XYZPQDRMYQAQGE-OAHLLOKOSA-N 2 2 355.442 2.413 20 30 FEEDLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000124860442 543847020 /nfs/dbraw/zinc/84/70/20/543847020.db2.gz XYZPQDRMYQAQGE-OAHLLOKOSA-N 2 2 355.442 2.413 20 30 FEEDLP C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127777427 544013278 /nfs/dbraw/zinc/01/32/78/544013278.db2.gz UEFLGKSSYRJJKX-IAGOWNOFSA-N 2 2 365.543 2.313 20 30 FEEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 ZINC000181464238 327731902 /nfs/dbraw/zinc/73/19/02/327731902.db2.gz QBVNRXLUOQCLQT-QGZVFWFLSA-N 2 2 350.470 2.211 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)CC1 ZINC000192016391 328294304 /nfs/dbraw/zinc/29/43/04/328294304.db2.gz YINIVKMPMWINIF-UHFFFAOYSA-N 2 2 372.488 2.464 20 30 FEEDLP C[NH+]1CCC2(CCC[N@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)CC1 ZINC000367202147 330229493 /nfs/dbraw/zinc/22/94/93/330229493.db2.gz YDLVXIPGHLYXAD-UHFFFAOYSA-N 2 2 361.511 2.140 20 30 FEEDLP C[NH+]1CCC2(CCC[N@@H+](CCS(=O)(=O)c3cccc(C#N)c3)C2)CC1 ZINC000367202147 330229495 /nfs/dbraw/zinc/22/94/95/330229495.db2.gz YDLVXIPGHLYXAD-UHFFFAOYSA-N 2 2 361.511 2.140 20 30 FEEDLP Cc1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)CC2 ZINC000181663997 547355087 /nfs/dbraw/zinc/35/50/87/547355087.db2.gz XMAKZCTYDDQDHG-LJQANCHMSA-N 2 2 350.470 2.027 20 30 FEEDLP COc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C#N ZINC000182556261 547513221 /nfs/dbraw/zinc/51/32/21/547513221.db2.gz ABUQZLFYLSLBAP-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1ccc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C#N ZINC000182556261 547513227 /nfs/dbraw/zinc/51/32/27/547513227.db2.gz ABUQZLFYLSLBAP-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C#N ZINC000182556261 547513232 /nfs/dbraw/zinc/51/32/32/547513232.db2.gz ABUQZLFYLSLBAP-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C#N ZINC000182556261 547513235 /nfs/dbraw/zinc/51/32/35/547513235.db2.gz ABUQZLFYLSLBAP-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1Br ZINC000182967657 547581002 /nfs/dbraw/zinc/58/10/02/547581002.db2.gz XLAQGVVCJUOKKM-UHFFFAOYSA-N 2 2 365.319 2.390 20 30 FEEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1Br ZINC000182967657 547581006 /nfs/dbraw/zinc/58/10/06/547581006.db2.gz XLAQGVVCJUOKKM-UHFFFAOYSA-N 2 2 365.319 2.390 20 30 FEEDLP Cc1nc(N2CC[NH+](Cc3ccc(N(C)CCC#N)cc3)CC2)cc[nH+]1 ZINC000184763412 547877141 /nfs/dbraw/zinc/87/71/41/547877141.db2.gz VAODGXBLMUQODN-UHFFFAOYSA-N 2 2 350.470 2.457 20 30 FEEDLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000245523715 548938408 /nfs/dbraw/zinc/93/84/08/548938408.db2.gz NAWYXHIMUBEXHO-MISYRCLQSA-N 2 2 352.482 2.470 20 30 FEEDLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000245523715 548938412 /nfs/dbraw/zinc/93/84/12/548938412.db2.gz NAWYXHIMUBEXHO-MISYRCLQSA-N 2 2 352.482 2.470 20 30 FEEDLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000245523715 548938414 /nfs/dbraw/zinc/93/84/14/548938414.db2.gz NAWYXHIMUBEXHO-MISYRCLQSA-N 2 2 352.482 2.470 20 30 FEEDLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 ZINC000245523715 548938419 /nfs/dbraw/zinc/93/84/19/548938419.db2.gz NAWYXHIMUBEXHO-MISYRCLQSA-N 2 2 352.482 2.470 20 30 FEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)N(C2CC2)C2CCCC2)cc1 ZINC000267030369 550027290 /nfs/dbraw/zinc/02/72/90/550027290.db2.gz VGDPYHXMWZZXRE-UHFFFAOYSA-N 2 2 358.486 2.319 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000275009377 550570109 /nfs/dbraw/zinc/57/01/09/550570109.db2.gz DWZXJZWESUEBGL-ZWKOTPCHSA-N 2 2 355.486 2.061 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000275009377 550570110 /nfs/dbraw/zinc/57/01/10/550570110.db2.gz DWZXJZWESUEBGL-ZWKOTPCHSA-N 2 2 355.486 2.061 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278758628 550818928 /nfs/dbraw/zinc/81/89/28/550818928.db2.gz BJJJNPUVGQEENY-MRXNPFEDSA-N 2 2 357.502 2.407 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000501116438 561590453 /nfs/dbraw/zinc/59/04/53/561590453.db2.gz RQUKYDDCSGVQFB-AQNXPRMDSA-N 2 2 362.562 2.066 20 30 FEEDLP C#CCNC(=O)C[N@H+]1CCCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000302881889 553739892 /nfs/dbraw/zinc/73/98/92/553739892.db2.gz IKHYIDWVCYVLEA-UHFFFAOYSA-N 2 2 371.529 2.159 20 30 FEEDLP C#CCNC(=O)C[N@@H+]1CCCN(c2cc(C(C)(C)C)[nH+]c(C(C)C)n2)CC1 ZINC000302881889 553739895 /nfs/dbraw/zinc/73/98/95/553739895.db2.gz IKHYIDWVCYVLEA-UHFFFAOYSA-N 2 2 371.529 2.159 20 30 FEEDLP CNC(=O)Cc1noc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000328645739 553801773 /nfs/dbraw/zinc/80/17/73/553801773.db2.gz GNWOCAINAWDISF-CYBMUJFWSA-N 2 2 358.446 2.111 20 30 FEEDLP CNC(=O)Cc1noc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000328645739 553801774 /nfs/dbraw/zinc/80/17/74/553801774.db2.gz GNWOCAINAWDISF-CYBMUJFWSA-N 2 2 358.446 2.111 20 30 FEEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000329167031 553894120 /nfs/dbraw/zinc/89/41/20/553894120.db2.gz IFTDMSMHLGCOTB-UHFFFAOYSA-N 2 2 371.485 2.391 20 30 FEEDLP CCN1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329973687 554042414 /nfs/dbraw/zinc/04/24/14/554042414.db2.gz WYGNJTFQICCZAU-IRXDYDNUSA-N 2 2 362.522 2.123 20 30 FEEDLP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)CC1 ZINC000330319798 554104375 /nfs/dbraw/zinc/10/43/75/554104375.db2.gz DNUDOQRUUAAPJM-AEFFLSMTSA-N 2 2 363.506 2.264 20 30 FEEDLP CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000362834309 554991691 /nfs/dbraw/zinc/99/16/91/554991691.db2.gz KTFASYJTFBYZCC-OAHLLOKOSA-N 2 2 362.424 2.077 20 30 FEEDLP CN(C(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000362834309 554991692 /nfs/dbraw/zinc/99/16/92/554991692.db2.gz KTFASYJTFBYZCC-OAHLLOKOSA-N 2 2 362.424 2.077 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702515 555167916 /nfs/dbraw/zinc/16/79/16/555167916.db2.gz BZIPAPZAIGFVGD-XAMWDVODSA-N 2 2 370.497 2.364 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702515 555167918 /nfs/dbraw/zinc/16/79/18/555167918.db2.gz BZIPAPZAIGFVGD-XAMWDVODSA-N 2 2 370.497 2.364 20 30 FEEDLP C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370147554 556793496 /nfs/dbraw/zinc/79/34/96/556793496.db2.gz DNTHEZAFAVRWQC-GHTZIAJQSA-N 2 2 356.514 2.285 20 30 FEEDLP C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370147554 556793499 /nfs/dbraw/zinc/79/34/99/556793499.db2.gz DNTHEZAFAVRWQC-GHTZIAJQSA-N 2 2 356.514 2.285 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012660 557964102 /nfs/dbraw/zinc/96/41/02/557964102.db2.gz MIYLWAZQZFDEGP-GOSISDBHSA-N 2 2 371.529 2.028 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375012660 557964103 /nfs/dbraw/zinc/96/41/03/557964103.db2.gz MIYLWAZQZFDEGP-GOSISDBHSA-N 2 2 371.529 2.028 20 30 FEEDLP C=C[C@@](C)(CCOC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000375344464 558012657 /nfs/dbraw/zinc/01/26/57/558012657.db2.gz FKDQSPBOPCAUSN-IBGZPJMESA-N 2 2 351.535 2.282 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377766674 558415595 /nfs/dbraw/zinc/41/55/95/558415595.db2.gz LEKQGMLWXYUITK-WOJBJXKFSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377766674 558415597 /nfs/dbraw/zinc/41/55/97/558415597.db2.gz LEKQGMLWXYUITK-WOJBJXKFSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377766674 558415600 /nfs/dbraw/zinc/41/56/00/558415600.db2.gz LEKQGMLWXYUITK-WOJBJXKFSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377766674 558415602 /nfs/dbraw/zinc/41/56/02/558415602.db2.gz LEKQGMLWXYUITK-WOJBJXKFSA-N 2 2 354.498 2.202 20 30 FEEDLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424178538 559656991 /nfs/dbraw/zinc/65/69/91/559656991.db2.gz WWCQRODFOROPDD-AEFFLSMTSA-N 2 2 358.486 2.139 20 30 FEEDLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)C1 ZINC000424178538 559656992 /nfs/dbraw/zinc/65/69/92/559656992.db2.gz WWCQRODFOROPDD-AEFFLSMTSA-N 2 2 358.486 2.139 20 30 FEEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000435023548 559914542 /nfs/dbraw/zinc/91/45/42/559914542.db2.gz LLOVSJWQEWDEPC-RTBURBONSA-N 2 2 359.470 2.205 20 30 FEEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000435023548 559914543 /nfs/dbraw/zinc/91/45/43/559914543.db2.gz LLOVSJWQEWDEPC-RTBURBONSA-N 2 2 359.470 2.205 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441388535 560030770 /nfs/dbraw/zinc/03/07/70/560030770.db2.gz RZOAWLDGNMUNCZ-SJLPKXTDSA-N 2 2 369.469 2.231 20 30 FEEDLP CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450229060 560254836 /nfs/dbraw/zinc/25/48/36/560254836.db2.gz WDDPLFBOSKVOCN-RTBURBONSA-N 2 2 371.529 2.306 20 30 FEEDLP CN(C(=O)c1ccc(C#N)n1C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450229060 560254837 /nfs/dbraw/zinc/25/48/37/560254837.db2.gz WDDPLFBOSKVOCN-RTBURBONSA-N 2 2 371.529 2.306 20 30 FEEDLP C[C@@H]1C[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N ZINC000602852596 568001654 /nfs/dbraw/zinc/00/16/54/568001654.db2.gz DCDZXKHTAJWQQI-SFHLNBCPSA-N 2 2 356.514 2.196 20 30 FEEDLP C[C@@H]1C[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)N1CC#N ZINC000602852596 568001655 /nfs/dbraw/zinc/00/16/55/568001655.db2.gz DCDZXKHTAJWQQI-SFHLNBCPSA-N 2 2 356.514 2.196 20 30 FEEDLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000614621887 676184060 /nfs/dbraw/zinc/18/40/60/676184060.db2.gz VAMPATLWQJCUHL-KRWDZBQOSA-N 2 2 360.889 2.452 20 30 FEEDLP CN(C(=O)c1ccc(C#N)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000614621887 676184062 /nfs/dbraw/zinc/18/40/62/676184062.db2.gz VAMPATLWQJCUHL-KRWDZBQOSA-N 2 2 360.889 2.452 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)C3(C#N)CCSCC3)CC2)CC1 ZINC000823113669 675530049 /nfs/dbraw/zinc/53/00/49/675530049.db2.gz CTOVQANTPFBGJH-UHFFFAOYSA-N 2 2 364.559 2.042 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)C3(C#N)CCSCC3)CC2)CC1 ZINC000823113669 675530051 /nfs/dbraw/zinc/53/00/51/675530051.db2.gz CTOVQANTPFBGJH-UHFFFAOYSA-N 2 2 364.559 2.042 20 30 FEEDLP C=C(Br)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417172 680356516 /nfs/dbraw/zinc/35/65/16/680356516.db2.gz WLLPTACIDSMAHK-RBSFLKMASA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027417172 680356519 /nfs/dbraw/zinc/35/65/19/680356519.db2.gz WLLPTACIDSMAHK-RBSFLKMASA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027417172 680356523 /nfs/dbraw/zinc/35/65/23/680356523.db2.gz WLLPTACIDSMAHK-RBSFLKMASA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027417172 680356525 /nfs/dbraw/zinc/35/65/25/680356525.db2.gz WLLPTACIDSMAHK-RBSFLKMASA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034213980 680431060 /nfs/dbraw/zinc/43/10/60/680431060.db2.gz FQVHRKODOJMNOK-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001034213980 680431061 /nfs/dbraw/zinc/43/10/61/680431061.db2.gz FQVHRKODOJMNOK-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034213980 680431063 /nfs/dbraw/zinc/43/10/63/680431063.db2.gz FQVHRKODOJMNOK-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001034213980 680431066 /nfs/dbraw/zinc/43/10/66/680431066.db2.gz FQVHRKODOJMNOK-QLFBSQMISA-N 2 2 358.324 2.206 20 30 FEEDLP C=CC[C@H](C(=O)OC)[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174255 686535588 /nfs/dbraw/zinc/53/55/88/686535588.db2.gz MSCVIINHOSFNMV-LJQANCHMSA-N 3 2 351.535 2.232 20 30 FEEDLP C=CC[C@H](C(=O)OC)[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174255 686535592 /nfs/dbraw/zinc/53/55/92/686535592.db2.gz MSCVIINHOSFNMV-LJQANCHMSA-N 3 2 351.535 2.232 20 30 FEEDLP C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050802834 540415519 /nfs/dbraw/zinc/41/55/19/540415519.db2.gz DIWILVHUDGPEIT-INIZCTEOSA-N 2 2 370.497 2.000 20 30 FEEDLP C=CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(C#N)c1 ZINC000092504445 542867319 /nfs/dbraw/zinc/86/73/19/542867319.db2.gz DTHMCWPKVNFCFD-UHFFFAOYSA-N 2 2 362.481 2.288 20 30 FEEDLP C=CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(C#N)c1 ZINC000092504445 542867321 /nfs/dbraw/zinc/86/73/21/542867321.db2.gz DTHMCWPKVNFCFD-UHFFFAOYSA-N 2 2 362.481 2.288 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C#N)cs3)CC2)CC1 ZINC000093141999 542912080 /nfs/dbraw/zinc/91/20/80/542912080.db2.gz BAYVWBBYTITTHX-UHFFFAOYSA-N 2 2 360.527 2.386 20 30 FEEDLP C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160053306 546003409 /nfs/dbraw/zinc/00/34/09/546003409.db2.gz QZPBPHYAKNRHII-IKGGRYGDSA-N 2 2 358.490 2.237 20 30 FEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1)C(C)C ZINC000480948462 561221079 /nfs/dbraw/zinc/22/10/79/561221079.db2.gz AXNCVMDIWXXOPJ-PMACEKPBSA-N 2 2 363.546 2.445 20 30 FEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1)C(C)C ZINC000480948462 561221080 /nfs/dbraw/zinc/22/10/80/561221080.db2.gz AXNCVMDIWXXOPJ-PMACEKPBSA-N 2 2 363.546 2.445 20 30 FEEDLP CN(C(=O)c1cc(C#N)cn1C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178928934 546874918 /nfs/dbraw/zinc/87/49/18/546874918.db2.gz YQJQQWQXPIQEQS-MOPGFXCFSA-N 2 2 371.529 2.306 20 30 FEEDLP CN(C(=O)c1cc(C#N)cn1C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178928934 546874920 /nfs/dbraw/zinc/87/49/20/546874920.db2.gz YQJQQWQXPIQEQS-MOPGFXCFSA-N 2 2 371.529 2.306 20 30 FEEDLP COCc1noc(CO[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000183174810 547615783 /nfs/dbraw/zinc/61/57/83/547615783.db2.gz OUSMWHUHDOCTHX-UHFFFAOYSA-N 2 2 359.430 2.039 20 30 FEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(c2cccs2)CC1 ZINC000261767448 549753315 /nfs/dbraw/zinc/75/33/15/549753315.db2.gz NQNNXFKKZKIJAA-UHFFFAOYSA-N 2 2 358.515 2.179 20 30 FEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1C)N1CCSC(C)(C)C1 ZINC000261958692 549774390 /nfs/dbraw/zinc/77/43/90/549774390.db2.gz OYZOCVVRNFPHOJ-UHFFFAOYSA-N 2 2 358.515 2.479 20 30 FEEDLP Cc1cccc(CNC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000267004337 550026378 /nfs/dbraw/zinc/02/63/78/550026378.db2.gz IUKUCADGRKOBSH-UHFFFAOYSA-N 2 2 354.454 2.010 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668209 550809711 /nfs/dbraw/zinc/80/97/11/550809711.db2.gz NVVDKOGVWRAFDM-BEFAXECRSA-N 2 2 350.470 2.431 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668209 550809712 /nfs/dbraw/zinc/80/97/12/550809712.db2.gz NVVDKOGVWRAFDM-BEFAXECRSA-N 2 2 350.470 2.431 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282085741 551178667 /nfs/dbraw/zinc/17/86/67/551178667.db2.gz OJBBWGROCYZJDA-IAGOWNOFSA-N 2 2 357.502 2.407 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282085741 551178668 /nfs/dbraw/zinc/17/86/68/551178668.db2.gz OJBBWGROCYZJDA-IAGOWNOFSA-N 2 2 357.502 2.407 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCC(=O)NC34CCC4)CC2)cc1 ZINC000283503102 551377759 /nfs/dbraw/zinc/37/77/59/551377759.db2.gz YXCLPPPMBLCHRU-LJQANCHMSA-N 2 2 352.482 2.314 20 30 FEEDLP O=C1CC2(CCCCC2)CC(=O)C1=CNNc1ccc(-n2cc[nH+]c2)n[nH+]1 ZINC000285010141 551689216 /nfs/dbraw/zinc/68/92/16/551689216.db2.gz HJPVYTIJXODQAU-UHFFFAOYSA-N 2 2 366.425 2.345 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000296744692 553206008 /nfs/dbraw/zinc/20/60/08/553206008.db2.gz DSVLJYSHYMGYCC-UHFFFAOYSA-N 2 2 371.529 2.285 20 30 FEEDLP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000328597942 553794903 /nfs/dbraw/zinc/79/49/03/553794903.db2.gz ATSBLUQNVIZRMK-GOSISDBHSA-N 2 2 364.534 2.152 20 30 FEEDLP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000328597942 553794906 /nfs/dbraw/zinc/79/49/06/553794906.db2.gz ATSBLUQNVIZRMK-GOSISDBHSA-N 2 2 364.534 2.152 20 30 FEEDLP CC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC[N@@H+]1CCOC ZINC000328660668 553803808 /nfs/dbraw/zinc/80/38/08/553803808.db2.gz VSYYNTAXJKPDOT-IAGOWNOFSA-N 2 2 363.506 2.026 20 30 FEEDLP CC[C@@H]1CN(C(=O)NC[C@H]2CCCn3cc(C)[nH+]c32)CC[N@H+]1CCOC ZINC000328660668 553803809 /nfs/dbraw/zinc/80/38/09/553803809.db2.gz VSYYNTAXJKPDOT-IAGOWNOFSA-N 2 2 363.506 2.026 20 30 FEEDLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC000328796527 553823442 /nfs/dbraw/zinc/82/34/42/553823442.db2.gz UWOSXELAOXDQBI-QGZVFWFLSA-N 2 2 357.502 2.177 20 30 FEEDLP Cc1nc(C)c(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000329786404 554005452 /nfs/dbraw/zinc/00/54/52/554005452.db2.gz XWGPRPZOJGDJSV-UHFFFAOYSA-N 2 2 353.536 2.132 20 30 FEEDLP Cc1nc(C)c(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000329786404 554005456 /nfs/dbraw/zinc/00/54/56/554005456.db2.gz XWGPRPZOJGDJSV-UHFFFAOYSA-N 2 2 353.536 2.132 20 30 FEEDLP C[NH+](C)C1(C#N)CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000332494356 554456512 /nfs/dbraw/zinc/45/65/12/554456512.db2.gz GHFPJAUHAHSOLG-UHFFFAOYSA-N 2 2 361.534 2.270 20 30 FEEDLP C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000360438804 554875058 /nfs/dbraw/zinc/87/50/58/554875058.db2.gz ZYIQVCQOEGRZKC-QGZVFWFLSA-N 2 2 366.509 2.482 20 30 FEEDLP C[C@@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000360438804 554875060 /nfs/dbraw/zinc/87/50/60/554875060.db2.gz ZYIQVCQOEGRZKC-QGZVFWFLSA-N 2 2 366.509 2.482 20 30 FEEDLP COC(=O)[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368544532 556341335 /nfs/dbraw/zinc/34/13/35/556341335.db2.gz VLKXAQQLFIDWSS-HXUWFJFHSA-N 2 2 371.481 2.207 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000369080644 556499794 /nfs/dbraw/zinc/49/97/94/556499794.db2.gz HWIYZFFWIIAGOO-UHFFFAOYSA-N 2 2 357.433 2.461 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000517335912 562085837 /nfs/dbraw/zinc/08/58/37/562085837.db2.gz ZCRHTIBUJSKSLU-FQEVSTJZSA-N 2 2 372.513 2.010 20 30 FEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611011 557520685 /nfs/dbraw/zinc/52/06/85/557520685.db2.gz ONDULZIAZAEOOF-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611011 557520686 /nfs/dbraw/zinc/52/06/86/557520686.db2.gz ONDULZIAZAEOOF-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611011 557520688 /nfs/dbraw/zinc/52/06/88/557520688.db2.gz ONDULZIAZAEOOF-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611011 557520691 /nfs/dbraw/zinc/52/06/91/557520691.db2.gz ONDULZIAZAEOOF-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP C#CCN(Cc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376700718 558210735 /nfs/dbraw/zinc/21/07/35/558210735.db2.gz OCANNLLIXNTEGE-UHFFFAOYSA-N 2 2 368.525 2.390 20 30 FEEDLP C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378366884 558540267 /nfs/dbraw/zinc/54/02/67/558540267.db2.gz PSPVDHJCIMCGDH-IWAYRVGRSA-N 2 2 352.482 2.198 20 30 FEEDLP C[C@@H]1CN(C(=O)/C=C/c2ccccc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378366884 558540271 /nfs/dbraw/zinc/54/02/71/558540271.db2.gz PSPVDHJCIMCGDH-IWAYRVGRSA-N 2 2 352.482 2.198 20 30 FEEDLP CC[C@H](C#N)Sc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000436058058 559934422 /nfs/dbraw/zinc/93/44/22/559934422.db2.gz JKTQVTPCOLXBAE-CABCVRRESA-N 2 2 366.535 2.017 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529625 560312503 /nfs/dbraw/zinc/31/25/03/560312503.db2.gz NMQOQRONMDZODS-SFHVURJKSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529625 560312504 /nfs/dbraw/zinc/31/25/04/560312504.db2.gz NMQOQRONMDZODS-SFHVURJKSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529625 560312505 /nfs/dbraw/zinc/31/25/05/560312505.db2.gz NMQOQRONMDZODS-SFHVURJKSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(C#N)c3F)C2)CC1 ZINC000451529625 560312506 /nfs/dbraw/zinc/31/25/06/560312506.db2.gz NMQOQRONMDZODS-SFHVURJKSA-N 2 2 372.488 2.464 20 30 FEEDLP C=C(Br)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000248720 680425072 /nfs/dbraw/zinc/42/50/72/680425072.db2.gz YVCWMWPLQAODBN-MGPQQGTHSA-N 2 2 367.291 2.013 20 30 FEEDLP C=C[C@H](C)ONC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000845626411 681141978 /nfs/dbraw/zinc/14/19/78/681141978.db2.gz GRIJMIXTAJYWOL-JQHSSLGASA-N 2 2 352.523 2.471 20 30 FEEDLP C=C[C@H](C)ONC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845626411 681141980 /nfs/dbraw/zinc/14/19/80/681141980.db2.gz GRIJMIXTAJYWOL-JQHSSLGASA-N 2 2 352.523 2.471 20 30 FEEDLP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575783 686860775 /nfs/dbraw/zinc/86/07/75/686860775.db2.gz OWORMDYGUMGIBS-CZUORRHYSA-N 2 2 358.511 2.463 20 30 FEEDLP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575783 686860784 /nfs/dbraw/zinc/86/07/84/686860784.db2.gz OWORMDYGUMGIBS-CZUORRHYSA-N 2 2 358.511 2.463 20 30 FEEDLP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575783 686860790 /nfs/dbraw/zinc/86/07/90/686860790.db2.gz OWORMDYGUMGIBS-CZUORRHYSA-N 2 2 358.511 2.463 20 30 FEEDLP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575783 686860800 /nfs/dbraw/zinc/86/08/00/686860800.db2.gz OWORMDYGUMGIBS-CZUORRHYSA-N 2 2 358.511 2.463 20 30 FEEDLP N#CCc1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000052003683 540450725 /nfs/dbraw/zinc/45/07/25/540450725.db2.gz NPNNIXDGZRBVLZ-FQEVSTJZSA-N 2 2 357.498 2.443 20 30 FEEDLP Cc1nc(CO[NH+]=C(N)CCN2CC[NH+](Cc3ccccc3)CC2)oc1C ZINC000108351888 543287188 /nfs/dbraw/zinc/28/71/88/543287188.db2.gz GLYNVSQVEQAFLS-UHFFFAOYSA-N 2 2 371.485 2.288 20 30 FEEDLP Cc1nc(CO[NH+]=C(N)CC[NH+]2CCN(Cc3ccccc3)CC2)oc1C ZINC000108351888 543287191 /nfs/dbraw/zinc/28/71/91/543287191.db2.gz GLYNVSQVEQAFLS-UHFFFAOYSA-N 2 2 371.485 2.288 20 30 FEEDLP C=C(C)C[N@@H+](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000114712495 543531068 /nfs/dbraw/zinc/53/10/68/543531068.db2.gz FLMPJZGMCNZCDZ-UHFFFAOYSA-N 2 2 357.498 2.164 20 30 FEEDLP C=C(C)C[N@H+](CC)CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000114712495 543531071 /nfs/dbraw/zinc/53/10/71/543531071.db2.gz FLMPJZGMCNZCDZ-UHFFFAOYSA-N 2 2 357.498 2.164 20 30 FEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCS[C@H](C(C)C)C1 ZINC000153759243 544819375 /nfs/dbraw/zinc/81/93/75/544819375.db2.gz CICJYTJACVBNRJ-INIZCTEOSA-N 2 2 358.515 2.416 20 30 FEEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000267953710 329371384 /nfs/dbraw/zinc/37/13/84/329371384.db2.gz SBBRBHBDEQYZIP-APWZRJJASA-N 2 2 367.497 2.011 20 30 FEEDLP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1 ZINC000267953710 329371386 /nfs/dbraw/zinc/37/13/86/329371386.db2.gz SBBRBHBDEQYZIP-APWZRJJASA-N 2 2 367.497 2.011 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000171586115 546215345 /nfs/dbraw/zinc/21/53/45/546215345.db2.gz CUJMLBJACFCEJP-SFHVURJKSA-N 2 2 369.509 2.246 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257401 546580884 /nfs/dbraw/zinc/58/08/84/546580884.db2.gz JFSYGMOBIDDMTE-GOSISDBHSA-N 2 2 371.529 2.028 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257401 546580888 /nfs/dbraw/zinc/58/08/88/546580888.db2.gz JFSYGMOBIDDMTE-GOSISDBHSA-N 2 2 371.529 2.028 20 30 FEEDLP CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249106015 549552906 /nfs/dbraw/zinc/55/29/06/549552906.db2.gz PHNZJKQEKNBZPK-WOJBJXKFSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccnc(C#N)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249106015 549552911 /nfs/dbraw/zinc/55/29/11/549552911.db2.gz PHNZJKQEKNBZPK-WOJBJXKFSA-N 2 2 369.513 2.362 20 30 FEEDLP Cc1c(-c2cc(CO[NH+]=C(N)c3ccc(C[NH+](C)C)cc3)on2)cnn1C ZINC000274324258 550532663 /nfs/dbraw/zinc/53/26/63/550532663.db2.gz KXTNKUYPPFHKPW-UHFFFAOYSA-N 2 2 368.441 2.282 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282085750 551178745 /nfs/dbraw/zinc/17/87/45/551178745.db2.gz OJBBWGROCYZJDA-SJORKVTESA-N 2 2 357.502 2.407 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282085750 551178747 /nfs/dbraw/zinc/17/87/47/551178747.db2.gz OJBBWGROCYZJDA-SJORKVTESA-N 2 2 357.502 2.407 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC1 ZINC000282935708 551287339 /nfs/dbraw/zinc/28/73/39/551287339.db2.gz PFWMCUDZSTWXOH-UHFFFAOYSA-N 2 2 350.466 2.412 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC(=O)NC34CCC4)CC2)cc1 ZINC000283503098 551377866 /nfs/dbraw/zinc/37/78/66/551377866.db2.gz YXCLPPPMBLCHRU-IBGZPJMESA-N 2 2 352.482 2.314 20 30 FEEDLP C[C@H](C(=O)N(C)CCC#N)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289397300 552314407 /nfs/dbraw/zinc/31/44/07/552314407.db2.gz RPZYXBRLKOJBFR-MRXNPFEDSA-N 2 2 351.454 2.117 20 30 FEEDLP CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329133532 553886429 /nfs/dbraw/zinc/88/64/29/553886429.db2.gz ZCVKFXSFKBVWKW-ZWKOTPCHSA-N 2 2 367.534 2.477 20 30 FEEDLP CC[C@@H]1CO[C@@H](C)C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329133532 553886430 /nfs/dbraw/zinc/88/64/30/553886430.db2.gz ZCVKFXSFKBVWKW-ZWKOTPCHSA-N 2 2 367.534 2.477 20 30 FEEDLP C[C@@H]1[N@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOC1(C)C ZINC000330094987 554063332 /nfs/dbraw/zinc/06/33/32/554063332.db2.gz URZDIWBBLWFKOG-KRWDZBQOSA-N 2 2 367.534 2.477 20 30 FEEDLP C[C@@H]1[N@@H+](CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOC1(C)C ZINC000330094987 554063333 /nfs/dbraw/zinc/06/33/33/554063333.db2.gz URZDIWBBLWFKOG-KRWDZBQOSA-N 2 2 367.534 2.477 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(NC4CC4)n3)CC2)CC1 ZINC000330268551 554096562 /nfs/dbraw/zinc/09/65/62/554096562.db2.gz RGBOYPVLWXPYOZ-UHFFFAOYSA-N 2 2 363.531 2.581 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(=NC4CC4)[nH]3)CC2)CC1 ZINC000330268551 554096566 /nfs/dbraw/zinc/09/65/66/554096566.db2.gz RGBOYPVLWXPYOZ-UHFFFAOYSA-N 2 2 363.531 2.581 20 30 FEEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)O1 ZINC000360790862 554889594 /nfs/dbraw/zinc/88/95/94/554889594.db2.gz CIYABQREDCZLMU-ZSYZGHEHSA-N 2 2 369.509 2.235 20 30 FEEDLP N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)O1 ZINC000360790862 554889596 /nfs/dbraw/zinc/88/95/96/554889596.db2.gz CIYABQREDCZLMU-ZSYZGHEHSA-N 2 2 369.509 2.235 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3cscn3)CC2)CC1 ZINC000361553651 554924790 /nfs/dbraw/zinc/92/47/90/554924790.db2.gz AUXNTGVFISNPOV-UHFFFAOYSA-N 2 2 363.531 2.057 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702512 555167731 /nfs/dbraw/zinc/16/77/31/555167731.db2.gz BZIPAPZAIGFVGD-CPLUKWAASA-N 2 2 370.497 2.364 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702512 555167733 /nfs/dbraw/zinc/16/77/33/555167733.db2.gz BZIPAPZAIGFVGD-CPLUKWAASA-N 2 2 370.497 2.364 20 30 FEEDLP C=CCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1OC ZINC000367472562 556059799 /nfs/dbraw/zinc/05/97/99/556059799.db2.gz OXUBJFPQCUFPQB-LJQANCHMSA-N 2 2 359.514 2.472 20 30 FEEDLP C=CCOc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1OC ZINC000367472562 556059804 /nfs/dbraw/zinc/05/98/04/556059804.db2.gz OXUBJFPQCUFPQB-LJQANCHMSA-N 2 2 359.514 2.472 20 30 FEEDLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000514819368 561981312 /nfs/dbraw/zinc/98/13/12/561981312.db2.gz DITGCOVMULDSKX-IBGZPJMESA-N 2 2 350.422 2.332 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)CC1 ZINC000517335914 562085786 /nfs/dbraw/zinc/08/57/86/562085786.db2.gz ZCRHTIBUJSKSLU-HXUWFJFHSA-N 2 2 372.513 2.010 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000371622010 557242030 /nfs/dbraw/zinc/24/20/30/557242030.db2.gz RSAVTIQEYNTPGB-LJQANCHMSA-N 2 2 364.578 2.292 20 30 FEEDLP CN(C)c1[nH+]cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)n1C ZINC000414361088 559158528 /nfs/dbraw/zinc/15/85/28/559158528.db2.gz BKUFUWXOTOBAEN-UHFFFAOYSA-N 2 2 354.458 2.233 20 30 FEEDLP C=CCOc1cccnc1C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422021447 559561008 /nfs/dbraw/zinc/56/10/08/559561008.db2.gz NNBNURXKGFOXPP-UHFFFAOYSA-N 2 2 372.513 2.279 20 30 FEEDLP C=CCOc1cccnc1C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422021447 559561009 /nfs/dbraw/zinc/56/10/09/559561009.db2.gz NNBNURXKGFOXPP-UHFFFAOYSA-N 2 2 372.513 2.279 20 30 FEEDLP Cc1nn(C)c(N2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)c1C#N ZINC000527315180 562285000 /nfs/dbraw/zinc/28/50/00/562285000.db2.gz AAZHOCSGSTZWLY-UHFFFAOYSA-N 2 2 367.482 2.170 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748313 559908348 /nfs/dbraw/zinc/90/83/48/559908348.db2.gz RKZHOHSMQKIMLE-BOFXEDATSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748313 559908349 /nfs/dbraw/zinc/90/83/49/559908349.db2.gz RKZHOHSMQKIMLE-BOFXEDATSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748313 559908350 /nfs/dbraw/zinc/90/83/50/559908350.db2.gz RKZHOHSMQKIMLE-BOFXEDATSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434748313 559908351 /nfs/dbraw/zinc/90/83/51/559908351.db2.gz RKZHOHSMQKIMLE-BOFXEDATSA-N 2 2 371.529 2.449 20 30 FEEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527378214 562287194 /nfs/dbraw/zinc/28/71/94/562287194.db2.gz KCTJPAMKYJZZTJ-INIZCTEOSA-N 2 2 351.454 2.372 20 30 FEEDLP Cc1[nH+]c2ccccc2n1C[C@@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527378214 562287195 /nfs/dbraw/zinc/28/71/95/562287195.db2.gz KCTJPAMKYJZZTJ-INIZCTEOSA-N 2 2 351.454 2.372 20 30 FEEDLP N#Cc1cccc([N+](=O)[O-])c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000459329953 560680052 /nfs/dbraw/zinc/68/00/52/560680052.db2.gz RWOWIQUOIUYIPV-UHFFFAOYSA-N 2 2 358.442 2.401 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000469605146 560959484 /nfs/dbraw/zinc/95/94/84/560959484.db2.gz PRKUPYYMXUTGSA-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000469605146 560959485 /nfs/dbraw/zinc/95/94/85/560959485.db2.gz PRKUPYYMXUTGSA-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000469605146 560959486 /nfs/dbraw/zinc/95/94/86/560959486.db2.gz PRKUPYYMXUTGSA-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000469605146 560959487 /nfs/dbraw/zinc/95/94/87/560959487.db2.gz PRKUPYYMXUTGSA-HKUYNNGSSA-N 2 2 354.498 2.391 20 30 FEEDLP C=CCCSCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000596717011 673406969 /nfs/dbraw/zinc/40/69/69/673406969.db2.gz DEINSSQSCACQPU-UHFFFAOYSA-N 2 2 368.591 2.497 20 30 FEEDLP C=CCCSCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000596717011 673406970 /nfs/dbraw/zinc/40/69/70/673406970.db2.gz DEINSSQSCACQPU-UHFFFAOYSA-N 2 2 368.591 2.497 20 30 FEEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001031681504 680406187 /nfs/dbraw/zinc/40/61/87/680406187.db2.gz VSWBBUJPVMDQLW-DNVCBOLYSA-N 2 2 359.901 2.080 20 30 FEEDLP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CC#Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001031681504 680406190 /nfs/dbraw/zinc/40/61/90/680406190.db2.gz VSWBBUJPVMDQLW-DNVCBOLYSA-N 2 2 359.901 2.080 20 30 FEEDLP C=C[C@H](C)ONC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000845626413 681142027 /nfs/dbraw/zinc/14/20/27/681142027.db2.gz GRIJMIXTAJYWOL-SZMVWBNQSA-N 2 2 352.523 2.471 20 30 FEEDLP C=C[C@H](C)ONC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845626413 681142028 /nfs/dbraw/zinc/14/20/28/681142028.db2.gz GRIJMIXTAJYWOL-SZMVWBNQSA-N 2 2 352.523 2.471 20 30 FEEDLP C#CCOCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000852038327 682207791 /nfs/dbraw/zinc/20/77/91/682207791.db2.gz BLXBZQCPIKZMMZ-UHFFFAOYSA-N 2 2 352.232 2.391 20 30 FEEDLP C#CCOCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000852038327 682207789 /nfs/dbraw/zinc/20/77/89/682207789.db2.gz BLXBZQCPIKZMMZ-UHFFFAOYSA-N 2 2 352.232 2.391 20 30 FEEDLP C[C@@H](Oc1ccccc1C#N)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050798869 540414577 /nfs/dbraw/zinc/41/45/77/540414577.db2.gz YUGLXWWMAZIWEL-MRXNPFEDSA-N 2 2 370.497 2.000 20 30 FEEDLP C=CCSCCNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073909311 542012892 /nfs/dbraw/zinc/01/28/92/542012892.db2.gz BJWNCAQAWCXSGW-UHFFFAOYSA-N 2 2 354.564 2.155 20 30 FEEDLP C[N@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968593 542620414 /nfs/dbraw/zinc/62/04/14/542620414.db2.gz AWZLJWJXDSLWDH-IBGZPJMESA-N 2 2 366.465 2.294 20 30 FEEDLP C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000080968593 542620416 /nfs/dbraw/zinc/62/04/16/542620416.db2.gz AWZLJWJXDSLWDH-IBGZPJMESA-N 2 2 366.465 2.294 20 30 FEEDLP C#CC[N@H+](Cc1ccc(F)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092541608 542869955 /nfs/dbraw/zinc/86/99/55/542869955.db2.gz GKNCKBKDAOPGMG-UHFFFAOYSA-N 2 2 353.445 2.003 20 30 FEEDLP C#CC[N@@H+](Cc1ccc(F)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000092541608 542869957 /nfs/dbraw/zinc/86/99/57/542869957.db2.gz GKNCKBKDAOPGMG-UHFFFAOYSA-N 2 2 353.445 2.003 20 30 FEEDLP CCc1noc(C)c1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000123041734 543739292 /nfs/dbraw/zinc/73/92/92/543739292.db2.gz JVWKBVRACLZQKK-UHFFFAOYSA-N 2 2 372.469 2.339 20 30 FEEDLP C[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000153777502 544821477 /nfs/dbraw/zinc/82/14/77/544821477.db2.gz RJPNHDBPEPEVQA-LJQANCHMSA-N 2 2 372.538 2.030 20 30 FEEDLP C[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000153777502 544821479 /nfs/dbraw/zinc/82/14/79/544821479.db2.gz RJPNHDBPEPEVQA-LJQANCHMSA-N 2 2 372.538 2.030 20 30 FEEDLP C[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000153777502 544821481 /nfs/dbraw/zinc/82/14/81/544821481.db2.gz RJPNHDBPEPEVQA-LJQANCHMSA-N 2 2 372.538 2.030 20 30 FEEDLP C[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)[C@@H]1CCSC1 ZINC000153777502 544821484 /nfs/dbraw/zinc/82/14/84/544821484.db2.gz RJPNHDBPEPEVQA-LJQANCHMSA-N 2 2 372.538 2.030 20 30 FEEDLP C[NH+]1CCC(CNC(=O)c2cccc(F)c2C#N)([NH+]2CCCCC2)CC1 ZINC000188283415 328077919 /nfs/dbraw/zinc/07/79/19/328077919.db2.gz NQJIVRWAWUVQLG-UHFFFAOYSA-N 2 2 358.461 2.377 20 30 FEEDLP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000174885028 327357921 /nfs/dbraw/zinc/35/79/21/327357921.db2.gz LPZUZTNQKGXDIM-IBGZPJMESA-N 2 2 351.498 2.413 20 30 FEEDLP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000174885028 327357922 /nfs/dbraw/zinc/35/79/22/327357922.db2.gz LPZUZTNQKGXDIM-IBGZPJMESA-N 2 2 351.498 2.413 20 30 FEEDLP N#Cc1ccc(S(=O)(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000176229244 327442346 /nfs/dbraw/zinc/44/23/46/327442346.db2.gz KNVCPDBSVPRNSO-UHFFFAOYSA-N 2 2 361.511 2.140 20 30 FEEDLP N#Cc1cccc(S(=O)(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000156661027 545645046 /nfs/dbraw/zinc/64/50/46/545645046.db2.gz FJFLJDDTXTVAHU-UHFFFAOYSA-N 2 2 361.511 2.140 20 30 FEEDLP CCOc1ccc(C#N)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000175623069 546322369 /nfs/dbraw/zinc/32/23/69/546322369.db2.gz USYJEGUNFRCABM-UHFFFAOYSA-N 2 2 373.501 2.447 20 30 FEEDLP CCOc1ccc(C#N)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000175623069 546322373 /nfs/dbraw/zinc/32/23/73/546322373.db2.gz USYJEGUNFRCABM-UHFFFAOYSA-N 2 2 373.501 2.447 20 30 FEEDLP C=CCOc1ccccc1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175754556 546344374 /nfs/dbraw/zinc/34/43/74/546344374.db2.gz SZMFOINXQILTHA-UHFFFAOYSA-N 2 2 360.502 2.077 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(CC#N)cc3)CC2)CC1 ZINC000195342665 548629017 /nfs/dbraw/zinc/62/90/17/548629017.db2.gz MZNDDDFIQYORGN-UHFFFAOYSA-N 2 2 355.486 2.433 20 30 FEEDLP CN(C(=O)CSCC#N)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245715794 548981569 /nfs/dbraw/zinc/98/15/69/548981569.db2.gz OOSKEMYMULGFSV-DLBZAZTESA-N 2 2 352.548 2.039 20 30 FEEDLP CN(C(=O)CSCC#N)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245715794 548981574 /nfs/dbraw/zinc/98/15/74/548981574.db2.gz OOSKEMYMULGFSV-DLBZAZTESA-N 2 2 352.548 2.039 20 30 FEEDLP CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262019210 549780537 /nfs/dbraw/zinc/78/05/37/549780537.db2.gz YKXNLEIFIGIBEE-WMZOPIPTSA-N 2 2 369.517 2.465 20 30 FEEDLP COc1cc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000281640169 551123898 /nfs/dbraw/zinc/12/38/98/551123898.db2.gz IVMONEKGCJKSNR-UHFFFAOYSA-N 3 2 365.481 2.264 20 30 FEEDLP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000284343603 551528499 /nfs/dbraw/zinc/52/84/99/551528499.db2.gz MYOWPXBHSMWAOX-WOJBJXKFSA-N 2 2 359.514 2.270 20 30 FEEDLP C=CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1 ZINC000285468095 551760791 /nfs/dbraw/zinc/76/07/91/551760791.db2.gz KGHZWGMIAAFDKW-YQQQUEKLSA-N 2 2 357.498 2.425 20 30 FEEDLP C=CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1 ZINC000285468095 551760793 /nfs/dbraw/zinc/76/07/93/551760793.db2.gz KGHZWGMIAAFDKW-YQQQUEKLSA-N 2 2 357.498 2.425 20 30 FEEDLP CCn1nc(C)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000328599584 553794888 /nfs/dbraw/zinc/79/48/88/553794888.db2.gz CFDGHORYLQNYHT-UHFFFAOYSA-N 2 2 362.522 2.404 20 30 FEEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000329503052 553958888 /nfs/dbraw/zinc/95/88/88/553958888.db2.gz YYQCZJXCPLUQIJ-WMLDXEAASA-N 2 2 357.433 2.343 20 30 FEEDLP Cn1cc[nH+]c1[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000329503052 553958891 /nfs/dbraw/zinc/95/88/91/553958891.db2.gz YYQCZJXCPLUQIJ-WMLDXEAASA-N 2 2 357.433 2.343 20 30 FEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634364 553980374 /nfs/dbraw/zinc/98/03/74/553980374.db2.gz XCDVHCYNLLUYIH-FGTMMUONSA-N 2 2 365.481 2.245 20 30 FEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634364 553980377 /nfs/dbraw/zinc/98/03/77/553980377.db2.gz XCDVHCYNLLUYIH-FGTMMUONSA-N 2 2 365.481 2.245 20 30 FEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634364 553980381 /nfs/dbraw/zinc/98/03/81/553980381.db2.gz XCDVHCYNLLUYIH-FGTMMUONSA-N 2 2 365.481 2.245 20 30 FEEDLP [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634364 553980382 /nfs/dbraw/zinc/98/03/82/553980382.db2.gz XCDVHCYNLLUYIH-FGTMMUONSA-N 2 2 365.481 2.245 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364898748 555429935 /nfs/dbraw/zinc/42/99/35/555429935.db2.gz WNJKMTRCFIRMQG-RHSMWYFYSA-N 2 2 363.531 2.014 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364898748 555429939 /nfs/dbraw/zinc/42/99/39/555429939.db2.gz WNJKMTRCFIRMQG-RHSMWYFYSA-N 2 2 363.531 2.014 20 30 FEEDLP Clc1ccc(C#CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000366919460 555969750 /nfs/dbraw/zinc/96/97/50/555969750.db2.gz YVJQLYLWEGTMBR-UHFFFAOYSA-N 2 2 361.917 2.031 20 30 FEEDLP Clc1ccc(C#CC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000366919460 555969755 /nfs/dbraw/zinc/96/97/55/555969755.db2.gz YVJQLYLWEGTMBR-UHFFFAOYSA-N 2 2 361.917 2.031 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H](CO)c3cccnc3)CC2)cc1 ZINC000367560799 556083088 /nfs/dbraw/zinc/08/30/88/556083088.db2.gz AYSIPIRABNAOCH-FQEVSTJZSA-N 2 2 350.466 2.283 20 30 FEEDLP C[NH+]1CCN(c2ncc(C[N@H+]3CC=C(c4ccc(C#N)cc4)CC3)cn2)CC1 ZINC000374284148 557857564 /nfs/dbraw/zinc/85/75/64/557857564.db2.gz OHTUDDSTGAQIBG-UHFFFAOYSA-N 2 2 374.492 2.389 20 30 FEEDLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC=C(c4ccc(C#N)cc4)CC3)cn2)CC1 ZINC000374284148 557857566 /nfs/dbraw/zinc/85/75/66/557857566.db2.gz OHTUDDSTGAQIBG-UHFFFAOYSA-N 2 2 374.492 2.389 20 30 FEEDLP C=C[C@](C)(CCOC)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000375344466 558012714 /nfs/dbraw/zinc/01/27/14/558012714.db2.gz FKDQSPBOPCAUSN-LJQANCHMSA-N 2 2 351.535 2.282 20 30 FEEDLP COc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1C#N ZINC000377701147 558400624 /nfs/dbraw/zinc/40/06/24/558400624.db2.gz SATWIZDBUMUENJ-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1cc(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1C#N ZINC000377701147 558400625 /nfs/dbraw/zinc/40/06/25/558400625.db2.gz SATWIZDBUMUENJ-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ccc1C#N ZINC000377701147 558400626 /nfs/dbraw/zinc/40/06/26/558400626.db2.gz SATWIZDBUMUENJ-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1C#N ZINC000377701147 558400628 /nfs/dbraw/zinc/40/06/28/558400628.db2.gz SATWIZDBUMUENJ-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP C=CC[C@H](Cc1ccccc1)NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000413399977 559105027 /nfs/dbraw/zinc/10/50/27/559105027.db2.gz JUGXOXVJHSALFY-LJQANCHMSA-N 2 2 358.530 2.499 20 30 FEEDLP C[N@H+](CCC#N)C[C@@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000414125127 559150116 /nfs/dbraw/zinc/15/01/16/559150116.db2.gz MEGZKMJFJZULNH-GOSISDBHSA-N 2 2 354.454 2.472 20 30 FEEDLP C[N@@H+](CCC#N)C[C@@H](O)COc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000414125127 559150118 /nfs/dbraw/zinc/15/01/18/559150118.db2.gz MEGZKMJFJZULNH-GOSISDBHSA-N 2 2 354.454 2.472 20 30 FEEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000424139831 559655979 /nfs/dbraw/zinc/65/59/79/559655979.db2.gz FNVDNYFRZSLODN-GUYCJALGSA-N 2 2 350.413 2.067 20 30 FEEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000424139831 559655980 /nfs/dbraw/zinc/65/59/80/559655980.db2.gz FNVDNYFRZSLODN-GUYCJALGSA-N 2 2 350.413 2.067 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425995180 559727128 /nfs/dbraw/zinc/72/71/28/559727128.db2.gz TVVOZFJCHZORFE-SIKLNZKXSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425995180 559727129 /nfs/dbraw/zinc/72/71/29/559727129.db2.gz TVVOZFJCHZORFE-SIKLNZKXSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425995180 559727130 /nfs/dbraw/zinc/72/71/30/559727130.db2.gz TVVOZFJCHZORFE-SIKLNZKXSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425995180 559727131 /nfs/dbraw/zinc/72/71/31/559727131.db2.gz TVVOZFJCHZORFE-SIKLNZKXSA-N 2 2 371.525 2.144 20 30 FEEDLP C[NH+](C)CCNC(=O)c1ccc(NCc2c[nH+]c3ccc(C#N)cn23)cc1 ZINC000527763002 562303039 /nfs/dbraw/zinc/30/30/39/562303039.db2.gz KRZWMIDFXKLDEP-UHFFFAOYSA-N 2 2 362.437 2.109 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000469605147 560959444 /nfs/dbraw/zinc/95/94/44/560959444.db2.gz PRKUPYYMXUTGSA-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000469605147 560959445 /nfs/dbraw/zinc/95/94/45/560959445.db2.gz PRKUPYYMXUTGSA-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000469605147 560959446 /nfs/dbraw/zinc/95/94/46/560959446.db2.gz PRKUPYYMXUTGSA-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000469605147 560959447 /nfs/dbraw/zinc/95/94/47/560959447.db2.gz PRKUPYYMXUTGSA-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000528502651 562332861 /nfs/dbraw/zinc/33/28/61/562332861.db2.gz JZSHEZPMCWWQLS-IAGOWNOFSA-N 2 2 356.470 2.190 20 30 FEEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848692 562569580 /nfs/dbraw/zinc/56/95/80/562569580.db2.gz ACIGBYUFAFEGJN-RBUKOAKNSA-N 2 2 357.502 2.296 20 30 FEEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848692 562569581 /nfs/dbraw/zinc/56/95/81/562569581.db2.gz ACIGBYUFAFEGJN-RBUKOAKNSA-N 2 2 357.502 2.296 20 30 FEEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000535848694 562569613 /nfs/dbraw/zinc/56/96/13/562569613.db2.gz ACIGBYUFAFEGJN-RTBURBONSA-N 2 2 357.502 2.296 20 30 FEEDLP CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000535848694 562569614 /nfs/dbraw/zinc/56/96/14/562569614.db2.gz ACIGBYUFAFEGJN-RTBURBONSA-N 2 2 357.502 2.296 20 30 FEEDLP C#C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820552654 675369624 /nfs/dbraw/zinc/36/96/24/675369624.db2.gz KVPUGKRXGLQHJP-QGZVFWFLSA-N 2 2 350.894 2.197 20 30 FEEDLP C#C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820552654 675369629 /nfs/dbraw/zinc/36/96/29/675369629.db2.gz KVPUGKRXGLQHJP-QGZVFWFLSA-N 2 2 350.894 2.197 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852885886 682353351 /nfs/dbraw/zinc/35/33/51/682353351.db2.gz DNPJFJDQYDVEBI-PKOBYXMFSA-N 2 2 363.864 2.344 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852885886 682353356 /nfs/dbraw/zinc/35/33/56/682353356.db2.gz DNPJFJDQYDVEBI-PKOBYXMFSA-N 2 2 363.864 2.344 20 30 FEEDLP Clc1nc(N2CCCC2)sc1C=[NH+]NCCC[NH+]1CCOCC1 ZINC000799486447 683459790 /nfs/dbraw/zinc/45/97/90/683459790.db2.gz BAWQXNPDFGKQKT-UHFFFAOYSA-N 2 2 357.911 2.043 20 30 FEEDLP Cc1ccc(CC#N)c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164763211 721210836 /nfs/dbraw/zinc/21/08/36/721210836.db2.gz DSLSEUPYYNSKMR-RBUKOAKNSA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1ccc(CC#N)c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164763211 721210842 /nfs/dbraw/zinc/21/08/42/721210842.db2.gz DSLSEUPYYNSKMR-RBUKOAKNSA-N 2 2 350.470 2.148 20 30 FEEDLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccc(C#N)cc1 ZINC000046527835 540261434 /nfs/dbraw/zinc/26/14/34/540261434.db2.gz YZJYVMUDMJHZMC-UHFFFAOYSA-N 2 2 368.506 2.396 20 30 FEEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1ccc(C#N)cc1 ZINC000046527835 540261436 /nfs/dbraw/zinc/26/14/36/540261436.db2.gz YZJYVMUDMJHZMC-UHFFFAOYSA-N 2 2 368.506 2.396 20 30 FEEDLP C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050802837 540415224 /nfs/dbraw/zinc/41/52/24/540415224.db2.gz DIWILVHUDGPEIT-MRXNPFEDSA-N 2 2 370.497 2.000 20 30 FEEDLP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066196173 541289424 /nfs/dbraw/zinc/28/94/24/541289424.db2.gz CMXZOEWGWYTICY-QGZVFWFLSA-N 2 2 357.502 2.116 20 30 FEEDLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066196173 541289426 /nfs/dbraw/zinc/28/94/26/541289426.db2.gz CMXZOEWGWYTICY-QGZVFWFLSA-N 2 2 357.502 2.116 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000066568259 541338061 /nfs/dbraw/zinc/33/80/61/541338061.db2.gz BNERUMHZYWXDIE-UHFFFAOYSA-N 2 2 372.488 2.464 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868446 541886296 /nfs/dbraw/zinc/88/62/96/541886296.db2.gz UDJDLDANYMAGSH-QUCCMNQESA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868446 541886299 /nfs/dbraw/zinc/88/62/99/541886299.db2.gz UDJDLDANYMAGSH-QUCCMNQESA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868446 541886301 /nfs/dbraw/zinc/88/63/01/541886301.db2.gz UDJDLDANYMAGSH-QUCCMNQESA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868446 541886303 /nfs/dbraw/zinc/88/63/03/541886303.db2.gz UDJDLDANYMAGSH-QUCCMNQESA-N 2 2 356.514 2.448 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cc1 ZINC000081112043 542633267 /nfs/dbraw/zinc/63/32/67/542633267.db2.gz LHADWXJYUXRXHN-WOJBJXKFSA-N 2 2 352.482 2.077 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cc1 ZINC000081112043 542633270 /nfs/dbraw/zinc/63/32/70/542633270.db2.gz LHADWXJYUXRXHN-WOJBJXKFSA-N 2 2 352.482 2.077 20 30 FEEDLP Cc1nc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)oc1C ZINC000109322385 543320908 /nfs/dbraw/zinc/32/09/08/543320908.db2.gz WNZQERBRYGBXGE-UHFFFAOYSA-N 2 2 358.442 2.085 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000189195382 328134351 /nfs/dbraw/zinc/13/43/51/328134351.db2.gz RSGDFYYXXQDERJ-UHFFFAOYSA-N 2 2 366.509 2.265 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)s3)CC2)CC1 ZINC000119995364 326220273 /nfs/dbraw/zinc/22/02/73/326220273.db2.gz VCXNWWNZNZEOGY-UHFFFAOYSA-N 2 2 360.527 2.386 20 30 FEEDLP CC[NH+](CC)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000478021478 561158332 /nfs/dbraw/zinc/15/83/32/561158332.db2.gz FKQYPPUCSJQJQD-UHFFFAOYSA-N 2 2 363.527 2.386 20 30 FEEDLP CCOC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000479378644 561188470 /nfs/dbraw/zinc/18/84/70/561188470.db2.gz NGKHPVMWILAUDM-UHFFFAOYSA-N 2 2 350.422 2.452 20 30 FEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180163872 547060599 /nfs/dbraw/zinc/06/05/99/547060599.db2.gz LPNFDZKOJKKWHH-IBGZPJMESA-N 2 2 353.470 2.159 20 30 FEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000180163872 547060605 /nfs/dbraw/zinc/06/06/05/547060605.db2.gz LPNFDZKOJKKWHH-IBGZPJMESA-N 2 2 353.470 2.159 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000261964943 549774532 /nfs/dbraw/zinc/77/45/32/549774532.db2.gz LDECBUGXSGZWGI-INIZCTEOSA-N 2 2 370.501 2.454 20 30 FEEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000262773373 549848653 /nfs/dbraw/zinc/84/86/53/549848653.db2.gz HRDOXEKOYCGEDR-ZDUSSCGKSA-N 2 2 374.558 2.210 20 30 FEEDLP C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000262773373 549848655 /nfs/dbraw/zinc/84/86/55/549848655.db2.gz HRDOXEKOYCGEDR-ZDUSSCGKSA-N 2 2 374.558 2.210 20 30 FEEDLP [NH2+]=C(NCc1ccccc1OCC[NH+]1CCOCC1)Nc1ccccc1 ZINC000264098581 549979139 /nfs/dbraw/zinc/97/91/39/549979139.db2.gz NFALRDLQYTXLRR-UHFFFAOYSA-N 2 2 354.454 2.324 20 30 FEEDLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619716 550461214 /nfs/dbraw/zinc/46/12/14/550461214.db2.gz UORPPRUWURCOJX-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619716 550461215 /nfs/dbraw/zinc/46/12/15/550461215.db2.gz UORPPRUWURCOJX-IEBWSBKVSA-N 2 2 354.498 2.391 20 30 FEEDLP CC(=O)N1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000279797909 550929931 /nfs/dbraw/zinc/92/99/31/550929931.db2.gz NBMBMNSIRMKFDB-HXUWFJFHSA-N 2 2 354.498 2.371 20 30 FEEDLP C=CCN1CC[C@H](O[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)C1=O ZINC000283585739 551391816 /nfs/dbraw/zinc/39/18/16/551391816.db2.gz RNBRDUYVDCZLKA-SFHVURJKSA-N 2 2 356.470 2.096 20 30 FEEDLP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)C2)CC1 ZINC000328879478 553837351 /nfs/dbraw/zinc/83/73/51/553837351.db2.gz VFDSNYNTJDUALJ-MSOLQXFVSA-N 2 2 357.502 2.238 20 30 FEEDLP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000328959232 553853265 /nfs/dbraw/zinc/85/32/65/553853265.db2.gz JYSFNHXMDXUUOS-FGTMMUONSA-N 2 2 359.518 2.136 20 30 FEEDLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC000329474312 553953266 /nfs/dbraw/zinc/95/32/66/553953266.db2.gz SSVDNCUVIHFMTH-KXBFYZLASA-N 2 2 354.454 2.169 20 30 FEEDLP C[NH+]1CCO[C@@H](C(=O)Nc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858652 554020362 /nfs/dbraw/zinc/02/03/62/554020362.db2.gz OEIISPCUCMAKIG-NVXWUHKLSA-N 2 2 360.458 2.352 20 30 FEEDLP C[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858652 554020355 /nfs/dbraw/zinc/02/03/55/554020355.db2.gz OEIISPCUCMAKIG-NVXWUHKLSA-N 2 2 360.458 2.352 20 30 FEEDLP C[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000329858652 554020358 /nfs/dbraw/zinc/02/03/58/554020358.db2.gz OEIISPCUCMAKIG-NVXWUHKLSA-N 2 2 360.458 2.352 20 30 FEEDLP C[NH+]1CCC(CNC(=O)NCCc2ccncc2)([NH+]2CCCCC2)CC1 ZINC000330010636 554049168 /nfs/dbraw/zinc/04/91/68/554049168.db2.gz IFFDYFYOQHBOCG-UHFFFAOYSA-N 2 2 359.518 2.078 20 30 FEEDLP C[N@@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)C1 ZINC000330177804 554079230 /nfs/dbraw/zinc/07/92/30/554079230.db2.gz DEXLJGDWIVLEBX-YWZLYKJASA-N 2 2 359.518 2.437 20 30 FEEDLP C[N@H+]1CC[C@]2(CCN(C([O-])=[NH+][C@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)C2)C1 ZINC000330177804 554079232 /nfs/dbraw/zinc/07/92/32/554079232.db2.gz DEXLJGDWIVLEBX-YWZLYKJASA-N 2 2 359.518 2.437 20 30 FEEDLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511771450 561880230 /nfs/dbraw/zinc/88/02/30/561880230.db2.gz RSEFBJHOXLDBCD-KURKYZTESA-N 2 2 354.498 2.464 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702514 555167688 /nfs/dbraw/zinc/16/76/88/555167688.db2.gz BZIPAPZAIGFVGD-WOUAJJJCSA-N 2 2 370.497 2.364 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1cccc(C#N)c1 ZINC000363702514 555167689 /nfs/dbraw/zinc/16/76/89/555167689.db2.gz BZIPAPZAIGFVGD-WOUAJJJCSA-N 2 2 370.497 2.364 20 30 FEEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000364920496 555437556 /nfs/dbraw/zinc/43/75/56/555437556.db2.gz ZEQQSNIUPXPXFE-KEYYUXOJSA-N 2 2 363.531 2.012 20 30 FEEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000364920496 555437558 /nfs/dbraw/zinc/43/75/58/555437558.db2.gz ZEQQSNIUPXPXFE-KEYYUXOJSA-N 2 2 363.531 2.012 20 30 FEEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777957 562118214 /nfs/dbraw/zinc/11/82/14/562118214.db2.gz DLTOPPZWLXGDIS-INIZCTEOSA-N 2 2 360.527 2.373 20 30 FEEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777957 562118215 /nfs/dbraw/zinc/11/82/15/562118215.db2.gz DLTOPPZWLXGDIS-INIZCTEOSA-N 2 2 360.527 2.373 20 30 FEEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777957 562118216 /nfs/dbraw/zinc/11/82/16/562118216.db2.gz DLTOPPZWLXGDIS-INIZCTEOSA-N 2 2 360.527 2.373 20 30 FEEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)NC3(C#N)CCC3)C2)s1 ZINC000518777957 562118217 /nfs/dbraw/zinc/11/82/17/562118217.db2.gz DLTOPPZWLXGDIS-INIZCTEOSA-N 2 2 360.527 2.373 20 30 FEEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372671965 557534412 /nfs/dbraw/zinc/53/44/12/557534412.db2.gz FTOYBWKXHLVVQP-NHCUHLMSSA-N 2 2 350.466 2.361 20 30 FEEDLP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3nc(C#N)cs3)CC2)C[C@H](C)O1 ZINC000519854834 562146709 /nfs/dbraw/zinc/14/67/09/562146709.db2.gz CFKZHQMGXAQIBK-GJZGRUSLSA-N 2 2 364.515 2.105 20 30 FEEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000424139833 559655957 /nfs/dbraw/zinc/65/59/57/559655957.db2.gz FNVDNYFRZSLODN-SUMWQHHRSA-N 2 2 350.413 2.067 20 30 FEEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000424139833 559655958 /nfs/dbraw/zinc/65/59/58/559655958.db2.gz FNVDNYFRZSLODN-SUMWQHHRSA-N 2 2 350.413 2.067 20 30 FEEDLP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc(C)[nH+]cc2C#N)CC1 ZINC000425209558 559691425 /nfs/dbraw/zinc/69/14/25/559691425.db2.gz RTOJPCWFFWSZIA-UHFFFAOYSA-N 2 2 357.502 2.326 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000425280455 559694581 /nfs/dbraw/zinc/69/45/81/559694581.db2.gz KBFJNXGFEYWIJB-UHFFFAOYSA-N 2 2 353.514 2.438 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000425280455 559694582 /nfs/dbraw/zinc/69/45/82/559694582.db2.gz KBFJNXGFEYWIJB-UHFFFAOYSA-N 2 2 353.514 2.438 20 30 FEEDLP C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000425368090 559698427 /nfs/dbraw/zinc/69/84/27/559698427.db2.gz VQWULCVHXJUANA-MRXNPFEDSA-N 2 2 350.470 2.293 20 30 FEEDLP C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000425368090 559698428 /nfs/dbraw/zinc/69/84/28/559698428.db2.gz VQWULCVHXJUANA-MRXNPFEDSA-N 2 2 350.470 2.293 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494043 560231938 /nfs/dbraw/zinc/23/19/38/560231938.db2.gz FYUWUPZZLHIQPN-OAQYLSRUSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494043 560231939 /nfs/dbraw/zinc/23/19/39/560231939.db2.gz FYUWUPZZLHIQPN-OAQYLSRUSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494043 560231940 /nfs/dbraw/zinc/23/19/40/560231940.db2.gz FYUWUPZZLHIQPN-OAQYLSRUSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)CC1 ZINC000449494043 560231941 /nfs/dbraw/zinc/23/19/41/560231941.db2.gz FYUWUPZZLHIQPN-OAQYLSRUSA-N 2 2 354.498 2.324 20 30 FEEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528387590 562326448 /nfs/dbraw/zinc/32/64/48/562326448.db2.gz DSTUQAHKXPPLHU-GOSISDBHSA-N 2 2 365.477 2.094 20 30 FEEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000528387590 562326449 /nfs/dbraw/zinc/32/64/49/562326449.db2.gz DSTUQAHKXPPLHU-GOSISDBHSA-N 2 2 365.477 2.094 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049481242 681032582 /nfs/dbraw/zinc/03/25/82/681032582.db2.gz HVZDNAOJMITBMJ-KLHDSHLOSA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049481242 681032583 /nfs/dbraw/zinc/03/25/83/681032583.db2.gz HVZDNAOJMITBMJ-KLHDSHLOSA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049481242 681032584 /nfs/dbraw/zinc/03/25/84/681032584.db2.gz HVZDNAOJMITBMJ-KLHDSHLOSA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049481242 681032585 /nfs/dbraw/zinc/03/25/85/681032585.db2.gz HVZDNAOJMITBMJ-KLHDSHLOSA-N 2 2 370.335 2.301 20 30 FEEDLP C[NH+]1CCC(CNC(=O)C2(C#N)CCSCC2)([NH+]2CCCCC2)CC1 ZINC000933629577 681442540 /nfs/dbraw/zinc/44/25/40/681442540.db2.gz SPNOWUPSRJEOPJ-UHFFFAOYSA-N 2 2 364.559 2.090 20 30 FEEDLP C[NH+]1CCC2(CC1)CC[NH+](CCS(=O)(=O)c1cccc(C#N)c1)CC2 ZINC000879250641 686779835 /nfs/dbraw/zinc/77/98/35/686779835.db2.gz XRSFWHRDVXPTGZ-UHFFFAOYSA-N 2 2 361.511 2.140 20 30 FEEDLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)cc1 ZINC000060893116 541123530 /nfs/dbraw/zinc/12/35/30/541123530.db2.gz LUSGYLQTWNPWRQ-UHFFFAOYSA-N 2 2 354.498 2.265 20 30 FEEDLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C#N)CC3)CC2)cc1 ZINC000060893116 541123531 /nfs/dbraw/zinc/12/35/31/541123531.db2.gz LUSGYLQTWNPWRQ-UHFFFAOYSA-N 2 2 354.498 2.265 20 30 FEEDLP Cc1cc(C#N)ccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000154362983 544896646 /nfs/dbraw/zinc/89/66/46/544896646.db2.gz CNALLNXHIFKWBB-DFNIBXOVSA-N 2 2 352.482 2.250 20 30 FEEDLP Cc1cc(C#N)ccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000154362983 544896651 /nfs/dbraw/zinc/89/66/51/544896651.db2.gz CNALLNXHIFKWBB-DFNIBXOVSA-N 2 2 352.482 2.250 20 30 FEEDLP Cn1cc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1C#N ZINC000191327457 328260439 /nfs/dbraw/zinc/26/04/39/328260439.db2.gz YSMKDOZELIUGQG-UHFFFAOYSA-N 2 2 351.498 2.146 20 30 FEEDLP Cn1cc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)cc1C#N ZINC000191327457 328260440 /nfs/dbraw/zinc/26/04/40/328260440.db2.gz YSMKDOZELIUGQG-UHFFFAOYSA-N 2 2 351.498 2.146 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000160304118 326960864 /nfs/dbraw/zinc/96/08/64/326960864.db2.gz WSPHXBNONYVBOR-UHFFFAOYSA-N 2 2 372.488 2.464 20 30 FEEDLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C)C(=O)N(C)CCC#N ZINC000160017582 546000606 /nfs/dbraw/zinc/00/06/06/546000606.db2.gz OIINVBMOKYHQDE-KRWDZBQOSA-N 2 2 357.502 2.380 20 30 FEEDLP C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160117300 546009011 /nfs/dbraw/zinc/00/90/11/546009011.db2.gz MJHCIKXUTBXNIU-PBHICJAKSA-N 2 2 372.448 2.119 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)CC1 ZINC000171741946 546223019 /nfs/dbraw/zinc/22/30/19/546223019.db2.gz ZAYRSMRMSONHBO-UHFFFAOYSA-N 2 2 363.531 2.011 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)CC1 ZINC000171741946 546223023 /nfs/dbraw/zinc/22/30/23/546223023.db2.gz ZAYRSMRMSONHBO-UHFFFAOYSA-N 2 2 363.531 2.011 20 30 FEEDLP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784233 547179425 /nfs/dbraw/zinc/17/94/25/547179425.db2.gz JVHOGWZKQKQFCC-OKZBNKHCSA-N 2 2 359.518 2.472 20 30 FEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784194 547179970 /nfs/dbraw/zinc/17/99/70/547179970.db2.gz JVHOGWZKQKQFCC-RCCFBDPRSA-N 2 2 359.518 2.472 20 30 FEEDLP COc1cc(C#N)ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182593934 547518951 /nfs/dbraw/zinc/51/89/51/547518951.db2.gz DSBKUUSECZMEIU-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1cc(C#N)ccc1CN1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182593934 547518955 /nfs/dbraw/zinc/51/89/55/547518955.db2.gz DSBKUUSECZMEIU-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1cc(C#N)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182593934 547518956 /nfs/dbraw/zinc/51/89/56/547518956.db2.gz DSBKUUSECZMEIU-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP COc1cc(C#N)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182593934 547518960 /nfs/dbraw/zinc/51/89/60/547518960.db2.gz DSBKUUSECZMEIU-YOFSQIOKSA-N 2 2 354.498 2.310 20 30 FEEDLP C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262007066 549779875 /nfs/dbraw/zinc/77/98/75/549779875.db2.gz VWAKUAHVORHJET-OLZOCXBDSA-N 2 2 351.405 2.133 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)cc1OC ZINC000264083877 549977226 /nfs/dbraw/zinc/97/72/26/549977226.db2.gz IFYWVRQZWDTZGZ-UHFFFAOYSA-N 2 2 374.510 2.228 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)cc1OC ZINC000264083877 549977230 /nfs/dbraw/zinc/97/72/30/549977230.db2.gz IFYWVRQZWDTZGZ-UHFFFAOYSA-N 2 2 374.510 2.228 20 30 FEEDLP C(#CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000284235135 551506541 /nfs/dbraw/zinc/50/65/41/551506541.db2.gz VICFPGGLNMAGOE-HDICACEKSA-N 4 2 352.486 2.195 20 30 FEEDLP C(#CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000284235135 551506543 /nfs/dbraw/zinc/50/65/43/551506543.db2.gz VICFPGGLNMAGOE-HDICACEKSA-N 4 2 352.486 2.195 20 30 FEEDLP C(#CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000284235135 551506546 /nfs/dbraw/zinc/50/65/46/551506546.db2.gz VICFPGGLNMAGOE-HDICACEKSA-N 4 2 352.486 2.195 20 30 FEEDLP C(#CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)C[NH+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000284235135 551506549 /nfs/dbraw/zinc/50/65/49/551506549.db2.gz VICFPGGLNMAGOE-HDICACEKSA-N 4 2 352.486 2.195 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000294378221 552901474 /nfs/dbraw/zinc/90/14/74/552901474.db2.gz LZRKOOGNQXYOBI-UHFFFAOYSA-N 2 2 356.857 2.487 20 30 FEEDLP COc1cccc(NC(=[NH2+])NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1 ZINC000304784799 553747480 /nfs/dbraw/zinc/74/74/80/553747480.db2.gz HRTRWGLCILZRCH-UHFFFAOYSA-N 3 2 359.518 2.372 20 30 FEEDLP O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000328755094 553817195 /nfs/dbraw/zinc/81/71/95/553817195.db2.gz FCFNLUVXXHPKGW-SFHVURJKSA-N 2 2 373.501 2.164 20 30 FEEDLP O=C(N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000328755094 553817198 /nfs/dbraw/zinc/81/71/98/553817198.db2.gz FCFNLUVXXHPKGW-SFHVURJKSA-N 2 2 373.501 2.164 20 30 FEEDLP C[N@@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)[C@H]2C1 ZINC000329537684 553963806 /nfs/dbraw/zinc/96/38/06/553963806.db2.gz MGPJJVRQCDUNDX-OAGGEKHMSA-N 2 2 359.518 2.435 20 30 FEEDLP C[N@H+]1CC[C@@H]2CCN(C([O-])=[NH+][C@@H]3CCc4[nH+]c(C(C)(C)C)cn4C3)[C@H]2C1 ZINC000329537684 553963809 /nfs/dbraw/zinc/96/38/09/553963809.db2.gz MGPJJVRQCDUNDX-OAGGEKHMSA-N 2 2 359.518 2.435 20 30 FEEDLP C[C@H]1COC(C)(C)C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000330124471 554068848 /nfs/dbraw/zinc/06/88/48/554068848.db2.gz BFERNJYBVWVFDL-KRWDZBQOSA-N 2 2 367.534 2.477 20 30 FEEDLP C[C@H]1COC(C)(C)C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000330124471 554068849 /nfs/dbraw/zinc/06/88/49/554068849.db2.gz BFERNJYBVWVFDL-KRWDZBQOSA-N 2 2 367.534 2.477 20 30 FEEDLP C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332402304 554439743 /nfs/dbraw/zinc/43/97/43/554439743.db2.gz WBLQSKJPHKCEPK-BEFAXECRSA-N 2 2 355.486 2.235 20 30 FEEDLP C[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332402304 554439745 /nfs/dbraw/zinc/43/97/45/554439745.db2.gz WBLQSKJPHKCEPK-BEFAXECRSA-N 2 2 355.486 2.235 20 30 FEEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000513438496 561938288 /nfs/dbraw/zinc/93/82/88/561938288.db2.gz KIOLRMAGIXRBFB-UHFFFAOYSA-N 2 2 372.513 2.355 20 30 FEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000370653405 556931923 /nfs/dbraw/zinc/93/19/23/556931923.db2.gz SGYXZWNGIWABPH-GOSISDBHSA-N 2 2 369.509 2.436 20 30 FEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1=O ZINC000371439153 557187076 /nfs/dbraw/zinc/18/70/76/557187076.db2.gz SJBMKFACVKIOPE-GJZGRUSLSA-N 2 2 365.481 2.273 20 30 FEEDLP CN1c2ccccc2N(C)C1=C1C(=[NH2+])N([C@H]2CC[N@H+]3CCC[C@H]3C2)CC1=O ZINC000371439153 557187077 /nfs/dbraw/zinc/18/70/77/557187077.db2.gz SJBMKFACVKIOPE-GJZGRUSLSA-N 2 2 365.481 2.273 20 30 FEEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000459444843 560686943 /nfs/dbraw/zinc/68/69/43/560686943.db2.gz BFRPCDWRBAXIIO-WMZOPIPTSA-N 2 2 358.511 2.456 20 30 FEEDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000535314794 562555868 /nfs/dbraw/zinc/55/58/68/562555868.db2.gz RRIWOYLHKYGBOT-AWEZNQCLSA-N 2 2 355.467 2.464 20 30 FEEDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000535314794 562555869 /nfs/dbraw/zinc/55/58/69/562555869.db2.gz RRIWOYLHKYGBOT-AWEZNQCLSA-N 2 2 355.467 2.464 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000537034750 562584406 /nfs/dbraw/zinc/58/44/06/562584406.db2.gz WHFXVZRRILRHMD-UHFFFAOYSA-N 2 2 368.485 2.066 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000537034750 562584407 /nfs/dbraw/zinc/58/44/07/562584407.db2.gz WHFXVZRRILRHMD-UHFFFAOYSA-N 2 2 368.485 2.066 20 30 FEEDLP C[C@@H]1C[N@@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602849388 568000960 /nfs/dbraw/zinc/00/09/60/568000960.db2.gz LAZCYVACKSJYSM-BGYRXZFFSA-N 2 2 355.530 2.117 20 30 FEEDLP C[C@@H]1C[N@H+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602849388 568000963 /nfs/dbraw/zinc/00/09/63/568000963.db2.gz LAZCYVACKSJYSM-BGYRXZFFSA-N 2 2 355.530 2.117 20 30 FEEDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCS(=O)(=O)c1cccc(C#N)c1)CCC2 ZINC000566114168 675182423 /nfs/dbraw/zinc/18/24/23/675182423.db2.gz BKVQJIYWVGXQMW-MRXNPFEDSA-N 2 2 358.467 2.004 20 30 FEEDLP C[N@@H+]1CCN(CCC[NH2+]Cc2nc(C#N)cs2)[C@@H](c2ccccc2)C1 ZINC000582515981 672008437 /nfs/dbraw/zinc/00/84/37/672008437.db2.gz QMICTADECLIAQT-GOSISDBHSA-N 2 2 355.511 2.483 20 30 FEEDLP C[N@H+]1CCN(CCC[NH2+]Cc2nc(C#N)cs2)[C@@H](c2ccccc2)C1 ZINC000582515981 672008444 /nfs/dbraw/zinc/00/84/44/672008444.db2.gz QMICTADECLIAQT-GOSISDBHSA-N 2 2 355.511 2.483 20 30 FEEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000901271343 690631662 /nfs/dbraw/zinc/63/16/62/690631662.db2.gz TXVZGOHXUUGKEM-MSOLQXFVSA-N 2 2 365.905 2.336 20 30 FEEDLP C=C(CC[NH+](C)C)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000901271343 690631664 /nfs/dbraw/zinc/63/16/64/690631664.db2.gz TXVZGOHXUUGKEM-MSOLQXFVSA-N 2 2 365.905 2.336 20 30 FEEDLP C#CC[NH+]1CCC(NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000902938363 690822479 /nfs/dbraw/zinc/82/24/79/690822479.db2.gz BNYDFOMTQQNMJS-UHFFFAOYSA-N 2 2 361.515 2.348 20 30 FEEDLP Cc1[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1CC#N ZINC001164769271 721209607 /nfs/dbraw/zinc/20/96/07/721209607.db2.gz LWTLEDPGGRLTCL-RBUKOAKNSA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1[nH+]c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1CC#N ZINC001164769271 721209616 /nfs/dbraw/zinc/20/96/16/721209616.db2.gz LWTLEDPGGRLTCL-RBUKOAKNSA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1[nH+]c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1CC#N ZINC001164769269 721210636 /nfs/dbraw/zinc/21/06/36/721210636.db2.gz LWTLEDPGGRLTCL-OALUTQOASA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1[nH+]c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)ccc1CC#N ZINC001164769269 721210642 /nfs/dbraw/zinc/21/06/42/721210642.db2.gz LWTLEDPGGRLTCL-OALUTQOASA-N 2 2 350.470 2.148 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110310 542233564 /nfs/dbraw/zinc/23/35/64/542233564.db2.gz LFDHVNZCPWZYJG-FPOVZHCZSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110310 542233568 /nfs/dbraw/zinc/23/35/68/542233568.db2.gz LFDHVNZCPWZYJG-FPOVZHCZSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110310 542233572 /nfs/dbraw/zinc/23/35/72/542233572.db2.gz LFDHVNZCPWZYJG-FPOVZHCZSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110310 542233578 /nfs/dbraw/zinc/23/35/78/542233578.db2.gz LFDHVNZCPWZYJG-FPOVZHCZSA-N 2 2 356.514 2.495 20 30 FEEDLP CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108503 542234134 /nfs/dbraw/zinc/23/41/34/542234134.db2.gz FPBXCIUTGZLCEX-OAQYLSRUSA-N 2 2 369.513 2.428 20 30 FEEDLP CC[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108503 542234138 /nfs/dbraw/zinc/23/41/38/542234138.db2.gz FPBXCIUTGZLCEX-OAQYLSRUSA-N 2 2 369.513 2.428 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CC[C@H](c2ccc(OC)cc2)C1 ZINC000088209370 542747818 /nfs/dbraw/zinc/74/78/18/542747818.db2.gz WBXOXUUBVOGSHP-INIZCTEOSA-N 2 2 370.501 2.060 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247494680 549343705 /nfs/dbraw/zinc/34/37/05/549343705.db2.gz LFDHVNZCPWZYJG-CTNGQTDRSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247494680 549343710 /nfs/dbraw/zinc/34/37/10/549343710.db2.gz LFDHVNZCPWZYJG-CTNGQTDRSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247494680 549343716 /nfs/dbraw/zinc/34/37/16/549343716.db2.gz LFDHVNZCPWZYJG-CTNGQTDRSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247494680 549343720 /nfs/dbraw/zinc/34/37/20/549343720.db2.gz LFDHVNZCPWZYJG-CTNGQTDRSA-N 2 2 356.514 2.495 20 30 FEEDLP Cc1oc(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C#N)c1C ZINC000174237930 327314857 /nfs/dbraw/zinc/31/48/57/327314857.db2.gz PMOVJKMJBCBYIA-UHFFFAOYSA-N 2 2 374.485 2.283 20 30 FEEDLP COc1ccccc1CNC(=[NH2+])NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000170911844 546182055 /nfs/dbraw/zinc/18/20/55/546182055.db2.gz DCTQEUOWQLLIEI-UHFFFAOYSA-N 2 2 368.481 2.132 20 30 FEEDLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000173644273 546284309 /nfs/dbraw/zinc/28/43/09/546284309.db2.gz MFVHCDSSALCVRQ-KRWDZBQOSA-N 2 2 358.486 2.022 20 30 FEEDLP CC(C)(CCC#N)C[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000174384369 546295303 /nfs/dbraw/zinc/29/53/03/546295303.db2.gz ZMNODFOZBRLUHT-KRWDZBQOSA-N 2 2 372.517 2.202 20 30 FEEDLP C=CCOc1ccc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1OC ZINC000177155877 546556818 /nfs/dbraw/zinc/55/68/18/546556818.db2.gz YSXMYKRFXXHKPQ-UHFFFAOYSA-N 2 2 361.486 2.016 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257384 546580369 /nfs/dbraw/zinc/58/03/69/546580369.db2.gz JFSYGMOBIDDMTE-SFHVURJKSA-N 2 2 371.529 2.028 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177257384 546580374 /nfs/dbraw/zinc/58/03/74/546580374.db2.gz JFSYGMOBIDDMTE-SFHVURJKSA-N 2 2 371.529 2.028 20 30 FEEDLP CC[NH+]1CCN([C@H](C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181500202 547324872 /nfs/dbraw/zinc/32/48/72/547324872.db2.gz VDWKESQUMRALEI-LJQANCHMSA-N 3 2 369.557 2.138 20 30 FEEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000489404244 561410188 /nfs/dbraw/zinc/41/01/88/561410188.db2.gz ONHBRQDDLYLWQF-HXUWFJFHSA-N 2 2 357.498 2.176 20 30 FEEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000489404244 561410189 /nfs/dbraw/zinc/41/01/89/561410189.db2.gz ONHBRQDDLYLWQF-HXUWFJFHSA-N 2 2 357.498 2.176 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000264372823 549995161 /nfs/dbraw/zinc/99/51/61/549995161.db2.gz GVSYJCYZTZKUKY-UHFFFAOYSA-N 2 2 353.470 2.381 20 30 FEEDLP Cc1ccsc1CNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000268575876 550089002 /nfs/dbraw/zinc/08/90/02/550089002.db2.gz LFQYYPRAHSKOPB-UHFFFAOYSA-N 2 2 360.483 2.071 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000269699959 550218365 /nfs/dbraw/zinc/21/83/65/550218365.db2.gz YCEJWVUBSYBOTQ-UYAOXDASSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000269699959 550218368 /nfs/dbraw/zinc/21/83/68/550218368.db2.gz YCEJWVUBSYBOTQ-UYAOXDASSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000269699959 550218371 /nfs/dbraw/zinc/21/83/71/550218371.db2.gz YCEJWVUBSYBOTQ-UYAOXDASSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000269699959 550218373 /nfs/dbraw/zinc/21/83/73/550218373.db2.gz YCEJWVUBSYBOTQ-UYAOXDASSA-N 2 2 352.482 2.123 20 30 FEEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 ZINC000273738076 550509935 /nfs/dbraw/zinc/50/99/35/550509935.db2.gz LKLXJDXDVVFAFX-OAHLLOKOSA-N 2 2 350.470 2.411 20 30 FEEDLP COc1cc[nH+]cc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000297295349 553274922 /nfs/dbraw/zinc/27/49/22/553274922.db2.gz KGDDEDQPLHRAKZ-UHFFFAOYSA-N 2 2 367.453 2.235 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301553701 553660069 /nfs/dbraw/zinc/66/00/69/553660069.db2.gz RRGXOMXUPMCYRG-UHFFFAOYSA-N 2 2 368.441 2.453 20 30 FEEDLP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000328597945 553794738 /nfs/dbraw/zinc/79/47/38/553794738.db2.gz ATSBLUQNVIZRMK-SFHVURJKSA-N 2 2 364.534 2.152 20 30 FEEDLP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NCC1([NH+]2CCOCC2)CC1 ZINC000328597945 553794742 /nfs/dbraw/zinc/79/47/42/553794742.db2.gz ATSBLUQNVIZRMK-SFHVURJKSA-N 2 2 364.534 2.152 20 30 FEEDLP O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000328755093 553817076 /nfs/dbraw/zinc/81/70/76/553817076.db2.gz FCFNLUVXXHPKGW-GOSISDBHSA-N 2 2 373.501 2.164 20 30 FEEDLP O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000328755093 553817079 /nfs/dbraw/zinc/81/70/79/553817079.db2.gz FCFNLUVXXHPKGW-GOSISDBHSA-N 2 2 373.501 2.164 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C#N)c3F)CC2)CC1 ZINC000332548006 554469338 /nfs/dbraw/zinc/46/93/38/554469338.db2.gz OCNUPFLMOOYFER-UHFFFAOYSA-N 2 2 372.488 2.464 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000332687083 554496835 /nfs/dbraw/zinc/49/68/35/554496835.db2.gz ODBSEGCBCGQYRI-QRWLVFNGSA-N 2 2 355.486 2.207 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1)C1CC1 ZINC000332687083 554496837 /nfs/dbraw/zinc/49/68/37/554496837.db2.gz ODBSEGCBCGQYRI-QRWLVFNGSA-N 2 2 355.486 2.207 20 30 FEEDLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511771451 561880353 /nfs/dbraw/zinc/88/03/53/561880353.db2.gz RSEFBJHOXLDBCD-KZNAEPCWSA-N 2 2 354.498 2.464 20 30 FEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511807740 561881241 /nfs/dbraw/zinc/88/12/41/561881241.db2.gz FFLWDTIXWVFCJL-UHFFFAOYSA-N 2 2 372.557 2.161 20 30 FEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511807740 561881242 /nfs/dbraw/zinc/88/12/42/561881242.db2.gz FFLWDTIXWVFCJL-UHFFFAOYSA-N 2 2 372.557 2.161 20 30 FEEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000364920495 555437863 /nfs/dbraw/zinc/43/78/63/555437863.db2.gz ZEQQSNIUPXPXFE-CPUCHLNUSA-N 2 2 363.531 2.012 20 30 FEEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)[C@H](C)C2)s1 ZINC000364920495 555437867 /nfs/dbraw/zinc/43/78/67/555437867.db2.gz ZEQQSNIUPXPXFE-CPUCHLNUSA-N 2 2 363.531 2.012 20 30 FEEDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)ccc1C#N ZINC000366929026 555973579 /nfs/dbraw/zinc/97/35/79/555973579.db2.gz XZIZRESRAATVFH-FXAWDEMLSA-N 2 2 353.470 2.473 20 30 FEEDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)ccc1C#N ZINC000366929026 555973581 /nfs/dbraw/zinc/97/35/81/555973581.db2.gz XZIZRESRAATVFH-FXAWDEMLSA-N 2 2 353.470 2.473 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000372728953 557548324 /nfs/dbraw/zinc/54/83/24/557548324.db2.gz JZAGAZPNEVRTEM-QUCCMNQESA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000372728953 557548327 /nfs/dbraw/zinc/54/83/27/557548327.db2.gz JZAGAZPNEVRTEM-QUCCMNQESA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000372728953 557548330 /nfs/dbraw/zinc/54/83/30/557548330.db2.gz JZAGAZPNEVRTEM-QUCCMNQESA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000372728953 557548333 /nfs/dbraw/zinc/54/83/33/557548333.db2.gz JZAGAZPNEVRTEM-QUCCMNQESA-N 2 2 352.482 2.123 20 30 FEEDLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)c1 ZINC000519714338 562141139 /nfs/dbraw/zinc/14/11/39/562141139.db2.gz ZWWQKXNJRNZYCS-UHFFFAOYSA-N 2 2 353.382 2.192 20 30 FEEDLP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000520654706 562161111 /nfs/dbraw/zinc/16/11/11/562161111.db2.gz SEUBDEKNMADBTB-QGZVFWFLSA-N 2 2 357.502 2.116 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000375737228 558074854 /nfs/dbraw/zinc/07/48/54/558074854.db2.gz AGYVVKDEJYUGAL-SFHVURJKSA-N 2 2 372.488 2.260 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)C2)CC1 ZINC000375737228 558074855 /nfs/dbraw/zinc/07/48/55/558074855.db2.gz AGYVVKDEJYUGAL-SFHVURJKSA-N 2 2 372.488 2.260 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)CC1 ZINC000422014077 559560652 /nfs/dbraw/zinc/56/06/52/559560652.db2.gz FXJDZGPXPZRHFL-UHFFFAOYSA-N 2 2 354.498 2.499 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(C#N)c3C)CC2)CC1 ZINC000422014077 559560653 /nfs/dbraw/zinc/56/06/53/559560653.db2.gz FXJDZGPXPZRHFL-UHFFFAOYSA-N 2 2 354.498 2.499 20 30 FEEDLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424178535 559656884 /nfs/dbraw/zinc/65/68/84/559656884.db2.gz WVXWKXIGWKOIHE-YQQAZPJKSA-N 2 2 368.403 2.377 20 30 FEEDLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000424178535 559656885 /nfs/dbraw/zinc/65/68/85/559656885.db2.gz WVXWKXIGWKOIHE-YQQAZPJKSA-N 2 2 368.403 2.377 20 30 FEEDLP C=CCC1(C(=O)N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)CCOCC1 ZINC000424874247 559679086 /nfs/dbraw/zinc/67/90/86/559679086.db2.gz BQGMZYIBVRUOPD-UHFFFAOYSA-N 2 2 363.546 2.378 20 30 FEEDLP C=CCC1(C(=O)N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)CCOCC1 ZINC000424874247 559679087 /nfs/dbraw/zinc/67/90/87/559679087.db2.gz BQGMZYIBVRUOPD-UHFFFAOYSA-N 2 2 363.546 2.378 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000428230022 559771933 /nfs/dbraw/zinc/77/19/33/559771933.db2.gz OEUKJIGCPFMLKD-CYBMUJFWSA-N 2 2 354.292 2.239 20 30 FEEDLP CC(C)(CNC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1)[NH+]1CCOCC1 ZINC000433011240 559869884 /nfs/dbraw/zinc/86/98/84/559869884.db2.gz NLVBTTHQQXAFLR-IBGZPJMESA-N 2 2 372.513 2.238 20 30 FEEDLP CC[C@@H](C#N)Sc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000436058060 559934514 /nfs/dbraw/zinc/93/45/14/559934514.db2.gz JKTQVTPCOLXBAE-GJZGRUSLSA-N 2 2 366.535 2.017 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451031758 560283589 /nfs/dbraw/zinc/28/35/89/560283589.db2.gz XMCPJKVGYATLHT-GUXCAODWSA-N 2 2 373.501 2.044 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451031758 560283590 /nfs/dbraw/zinc/28/35/90/560283590.db2.gz XMCPJKVGYATLHT-GUXCAODWSA-N 2 2 373.501 2.044 20 30 FEEDLP N#C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000459453930 560687428 /nfs/dbraw/zinc/68/74/28/560687428.db2.gz DHAGMKOXWNQRAL-WMZOPIPTSA-N 2 2 360.889 2.266 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](CCO)C3CCOCC3)CC2)cc1 ZINC000461090802 560761174 /nfs/dbraw/zinc/76/11/74/560761174.db2.gz NMARNRGOYTUKHY-OAQYLSRUSA-N 2 2 357.498 2.290 20 30 FEEDLP N#CC1(c2ccc(C[NH2+][C@@H]3CCCN(CC[NH+]4CCOCC4)C3)cc2)CC1 ZINC000603427340 568096701 /nfs/dbraw/zinc/09/67/01/568096701.db2.gz GELQHCQXKRFXSZ-OAQYLSRUSA-N 2 2 368.525 2.128 20 30 FEEDLP C=C(Cl)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033092921 680417084 /nfs/dbraw/zinc/41/70/84/680417084.db2.gz SANWCIUPAOXEAO-KURKYZTESA-N 2 2 369.937 2.019 20 30 FEEDLP C=C(Cl)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033092921 680417086 /nfs/dbraw/zinc/41/70/86/680417086.db2.gz SANWCIUPAOXEAO-KURKYZTESA-N 2 2 369.937 2.019 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000876755774 686261565 /nfs/dbraw/zinc/26/15/65/686261565.db2.gz WPCOFCSUYCNAAQ-YOEHRIQHSA-N 2 2 351.878 2.370 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000050025164 540397615 /nfs/dbraw/zinc/39/76/15/540397615.db2.gz FNTRTDLZYPDLQE-UHFFFAOYSA-N 2 2 359.901 2.329 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NCCC[NH+]3CCCCC3)CC2)cc1 ZINC000073046456 541912486 /nfs/dbraw/zinc/91/24/86/541912486.db2.gz WBVPFIOPORQUTF-UHFFFAOYSA-N 2 2 369.513 2.261 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164788 543211244 /nfs/dbraw/zinc/21/12/44/543211244.db2.gz VEQJTSYTSSJQHR-INIZCTEOSA-N 2 2 357.502 2.406 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000190003718 328181762 /nfs/dbraw/zinc/18/17/62/328181762.db2.gz LYELFEBJBUJBBO-VQIMIIECSA-N 2 2 358.486 2.223 20 30 FEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000190003718 328181763 /nfs/dbraw/zinc/18/17/63/328181763.db2.gz LYELFEBJBUJBBO-VQIMIIECSA-N 2 2 358.486 2.223 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(Nc3c(C#N)nnc4ccccc43)CC2)CC1 ZINC000265862093 329167257 /nfs/dbraw/zinc/16/72/57/329167257.db2.gz SEPASCPWNIPWRI-UHFFFAOYSA-N 2 2 350.470 2.472 20 30 FEEDLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000267955522 329371538 /nfs/dbraw/zinc/37/15/38/329371538.db2.gz SBBRBHBDEQYZIP-QFBILLFUSA-N 2 2 367.497 2.011 20 30 FEEDLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1 ZINC000267955522 329371540 /nfs/dbraw/zinc/37/15/40/329371540.db2.gz SBBRBHBDEQYZIP-QFBILLFUSA-N 2 2 367.497 2.011 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3c(C#N)nnc4ccccc43)CC2)CC1 ZINC000269296052 329505180 /nfs/dbraw/zinc/50/51/80/329505180.db2.gz ANQQEEHHUZLCRS-UHFFFAOYSA-N 2 2 364.497 2.496 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NCc3ccco3)CCC[NH+]2C)cn1 ZINC000328644586 522405730 /nfs/dbraw/zinc/40/57/30/522405730.db2.gz RWONMQZSZWFOLT-HNAYVOBHSA-N 2 2 359.474 2.485 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NCc3ccco3)CCC[NH+]2C)cn1 ZINC000328644586 522405744 /nfs/dbraw/zinc/40/57/44/522405744.db2.gz RWONMQZSZWFOLT-HNAYVOBHSA-N 2 2 359.474 2.485 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NCc3ccco3)CCC[N@@H+]2C)cn1 ZINC000328644586 522405755 /nfs/dbraw/zinc/40/57/55/522405755.db2.gz RWONMQZSZWFOLT-HNAYVOBHSA-N 2 2 359.474 2.485 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NCc3ccco3)CCC[N@H+]2C)cn1 ZINC000328644586 522405762 /nfs/dbraw/zinc/40/57/62/522405762.db2.gz RWONMQZSZWFOLT-HNAYVOBHSA-N 2 2 359.474 2.485 20 30 FEEDLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000478221925 561162412 /nfs/dbraw/zinc/16/24/12/561162412.db2.gz CDRQDCXGPMQAKT-FQEVSTJZSA-N 2 2 367.497 2.141 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000171713571 546221039 /nfs/dbraw/zinc/22/10/39/546221039.db2.gz GCRKNUGYYKXDKA-UHFFFAOYSA-N 2 2 353.470 2.381 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NCC1CCOCC1 ZINC000176345170 546434653 /nfs/dbraw/zinc/43/46/53/546434653.db2.gz HJTWTRDXONYLMD-AWEZNQCLSA-N 2 2 350.532 2.086 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NCC1CCOCC1 ZINC000176345170 546434654 /nfs/dbraw/zinc/43/46/54/546434654.db2.gz HJTWTRDXONYLMD-AWEZNQCLSA-N 2 2 350.532 2.086 20 30 FEEDLP Cc1nc(N2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc[nH+]1 ZINC000183792752 547720687 /nfs/dbraw/zinc/72/06/87/547720687.db2.gz XTRDDHJXWMZJCF-UHFFFAOYSA-N 2 2 373.464 2.379 20 30 FEEDLP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261952162 549773497 /nfs/dbraw/zinc/77/34/97/549773497.db2.gz HTGHSNLTPXZFHQ-SJLPKXTDSA-N 2 2 365.485 2.498 20 30 FEEDLP Cc1[nH+]ccn1CCCO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C ZINC000271194434 550351113 /nfs/dbraw/zinc/35/11/13/550351113.db2.gz GZYGDLHCJPXFJT-CYBMUJFWSA-N 2 2 353.467 2.373 20 30 FEEDLP CC1(C#N)CC[NH+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000272646863 550463021 /nfs/dbraw/zinc/46/30/21/550463021.db2.gz YOUBOLXTYJROIX-UHFFFAOYSA-N 2 2 356.470 2.083 20 30 FEEDLP COc1ccc(NC(=[NH2+])NCc2ccnc(-n3cc[nH+]c3)c2)cc1OC ZINC000303980449 553747128 /nfs/dbraw/zinc/74/71/28/553747128.db2.gz OCGZNZGKNTVMIE-UHFFFAOYSA-N 2 2 352.398 2.211 20 30 FEEDLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000329063961 553873746 /nfs/dbraw/zinc/87/37/46/553873746.db2.gz VNYPKIMNIAXRCD-IXDOHACOSA-N 2 2 361.490 2.018 20 30 FEEDLP Cn1cc[nH+]c1[C@H](NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CCOCC1 ZINC000329063961 553873747 /nfs/dbraw/zinc/87/37/47/553873747.db2.gz VNYPKIMNIAXRCD-IXDOHACOSA-N 2 2 361.490 2.018 20 30 FEEDLP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@@H+]1C ZINC000329317963 553924066 /nfs/dbraw/zinc/92/40/66/553924066.db2.gz HYXVTOCMJNWEDD-DJIMGWMZSA-N 2 2 363.506 2.216 20 30 FEEDLP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@H+]1C ZINC000329317963 553924070 /nfs/dbraw/zinc/92/40/70/553924070.db2.gz HYXVTOCMJNWEDD-DJIMGWMZSA-N 2 2 363.506 2.216 20 30 FEEDLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000329871156 554022372 /nfs/dbraw/zinc/02/23/72/554022372.db2.gz AMBFWJCDHDTCJJ-KURKYZTESA-N 2 2 359.518 2.421 20 30 FEEDLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000329871156 554022374 /nfs/dbraw/zinc/02/23/74/554022374.db2.gz AMBFWJCDHDTCJJ-KURKYZTESA-N 2 2 359.518 2.421 20 30 FEEDLP CC(C)(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[NH+]1CCOCC1 ZINC000329871546 554022461 /nfs/dbraw/zinc/02/24/61/554022461.db2.gz AUDKBGHNDUFJGM-UHFFFAOYSA-N 2 2 367.534 2.336 20 30 FEEDLP C=CC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 ZINC000361239916 554912021 /nfs/dbraw/zinc/91/20/21/554912021.db2.gz BAXGOAZZDIYPMR-UHFFFAOYSA-N 2 2 369.556 2.141 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[NH+]1CCSCC1 ZINC000365391355 555561791 /nfs/dbraw/zinc/56/17/91/555561791.db2.gz FFRNWNYLLCXLPW-KRWDZBQOSA-N 2 2 372.538 2.098 20 30 FEEDLP C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C#N)([NH+]2CCCCC2)CC1 ZINC000374168446 557835609 /nfs/dbraw/zinc/83/56/09/557835609.db2.gz XBDPPHVRKVSFQJ-UHFFFAOYSA-N 2 2 358.446 2.224 20 30 FEEDLP C=C(C)CN(CC)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375016495 557964393 /nfs/dbraw/zinc/96/43/93/557964393.db2.gz YJFANRMGZIFFBC-UHFFFAOYSA-N 2 2 358.530 2.445 20 30 FEEDLP C=C(C)CN(CC)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375016495 557964394 /nfs/dbraw/zinc/96/43/94/557964394.db2.gz YJFANRMGZIFFBC-UHFFFAOYSA-N 2 2 358.530 2.445 20 30 FEEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[N@@H+]4CCCC[C@@H]4CO3)CC2)cc1 ZINC000375896761 558095554 /nfs/dbraw/zinc/09/55/54/558095554.db2.gz ZUOBGTDPYJSCLF-RTWAWAEBSA-N 2 2 354.498 2.370 20 30 FEEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[N@H+]4CCCC[C@@H]4CO3)CC2)cc1 ZINC000375896761 558095556 /nfs/dbraw/zinc/09/55/56/558095556.db2.gz ZUOBGTDPYJSCLF-RTWAWAEBSA-N 2 2 354.498 2.370 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000418451662 559402133 /nfs/dbraw/zinc/40/21/33/559402133.db2.gz NAYDKERNTZSCCH-HXUWFJFHSA-N 2 2 363.465 2.085 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269889 560027610 /nfs/dbraw/zinc/02/76/10/560027610.db2.gz SQBWBTIWZGGXFZ-KURKYZTESA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269889 560027611 /nfs/dbraw/zinc/02/76/11/560027611.db2.gz SQBWBTIWZGGXFZ-KURKYZTESA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269885 560027672 /nfs/dbraw/zinc/02/76/72/560027672.db2.gz SQBWBTIWZGGXFZ-FGTMMUONSA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269885 560027673 /nfs/dbraw/zinc/02/76/73/560027673.db2.gz SQBWBTIWZGGXFZ-FGTMMUONSA-N 2 2 367.453 2.292 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026597 560283114 /nfs/dbraw/zinc/28/31/14/560283114.db2.gz LOSHBMGBVPZVSZ-IAGOWNOFSA-N 2 2 358.486 2.190 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026597 560283115 /nfs/dbraw/zinc/28/31/15/560283115.db2.gz LOSHBMGBVPZVSZ-IAGOWNOFSA-N 2 2 358.486 2.190 20 30 FEEDLP N#C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000459444842 560686751 /nfs/dbraw/zinc/68/67/51/560686751.db2.gz BFRPCDWRBAXIIO-SJLPKXTDSA-N 2 2 358.511 2.456 20 30 FEEDLP N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000534861742 562544058 /nfs/dbraw/zinc/54/40/58/562544058.db2.gz VPYVYGNFGOCEFD-SFHVURJKSA-N 2 2 352.438 2.269 20 30 FEEDLP C[NH+](C)CC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(C)(C)C ZINC000575796531 671321558 /nfs/dbraw/zinc/32/15/58/671321558.db2.gz CXOMMCUBWAURMK-QGZVFWFLSA-N 2 2 351.516 2.288 20 30 FEEDLP CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000612611343 676090382 /nfs/dbraw/zinc/09/03/82/676090382.db2.gz NMFDJGZEVNQZIB-QGZVFWFLSA-N 2 2 360.889 2.452 20 30 FEEDLP CN(C(=O)c1ccc(Cl)c(C#N)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000612611343 676090384 /nfs/dbraw/zinc/09/03/84/676090384.db2.gz NMFDJGZEVNQZIB-QGZVFWFLSA-N 2 2 360.889 2.452 20 30 FEEDLP C=C(Br)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971567586 682360808 /nfs/dbraw/zinc/36/08/08/682360808.db2.gz RFPQXVPQPHPZMO-SOUVJXGZSA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000971567586 682360812 /nfs/dbraw/zinc/36/08/12/682360812.db2.gz RFPQXVPQPHPZMO-SOUVJXGZSA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971567586 682360815 /nfs/dbraw/zinc/36/08/15/682360815.db2.gz RFPQXVPQPHPZMO-SOUVJXGZSA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971567586 682360819 /nfs/dbraw/zinc/36/08/19/682360819.db2.gz RFPQXVPQPHPZMO-SOUVJXGZSA-N 2 2 358.324 2.158 20 30 FEEDLP C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C[C@@H]2C1 ZINC000931432656 684282339 /nfs/dbraw/zinc/28/23/39/684282339.db2.gz YUVJBAPWXXHZRW-CVEARBPZSA-N 2 2 360.889 2.470 20 30 FEEDLP C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C[C@@H]2C1 ZINC000931432656 684282340 /nfs/dbraw/zinc/28/23/40/684282340.db2.gz YUVJBAPWXXHZRW-CVEARBPZSA-N 2 2 360.889 2.470 20 30 FEEDLP C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C[C@@H]2C1 ZINC000931432656 684282341 /nfs/dbraw/zinc/28/23/41/684282341.db2.gz YUVJBAPWXXHZRW-CVEARBPZSA-N 2 2 360.889 2.470 20 30 FEEDLP C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(CCC#N)c3cccc(Cl)c3)C[C@@H]2C1 ZINC000931432656 684282344 /nfs/dbraw/zinc/28/23/44/684282344.db2.gz YUVJBAPWXXHZRW-CVEARBPZSA-N 2 2 360.889 2.470 20 30 FEEDLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575784 686860666 /nfs/dbraw/zinc/86/06/66/686860666.db2.gz OWORMDYGUMGIBS-XJKSGUPXSA-N 2 2 358.511 2.463 20 30 FEEDLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575784 686860674 /nfs/dbraw/zinc/86/06/74/686860674.db2.gz OWORMDYGUMGIBS-XJKSGUPXSA-N 2 2 358.511 2.463 20 30 FEEDLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575784 686860683 /nfs/dbraw/zinc/86/06/83/686860683.db2.gz OWORMDYGUMGIBS-XJKSGUPXSA-N 2 2 358.511 2.463 20 30 FEEDLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@H]21 ZINC000879575784 686860694 /nfs/dbraw/zinc/86/06/94/686860694.db2.gz OWORMDYGUMGIBS-XJKSGUPXSA-N 2 2 358.511 2.463 20 30 FEEDLP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000066561495 541335818 /nfs/dbraw/zinc/33/58/18/541335818.db2.gz SVQZLRYWLZQTCM-INIZCTEOSA-N 2 2 356.470 2.072 20 30 FEEDLP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000066561495 541335821 /nfs/dbraw/zinc/33/58/21/541335821.db2.gz SVQZLRYWLZQTCM-INIZCTEOSA-N 2 2 356.470 2.072 20 30 FEEDLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000089134907 542758681 /nfs/dbraw/zinc/75/86/81/542758681.db2.gz DOOOEPRJZQYRLS-PMACEKPBSA-N 2 2 354.498 2.359 20 30 FEEDLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000089134907 542758685 /nfs/dbraw/zinc/75/86/85/542758685.db2.gz DOOOEPRJZQYRLS-PMACEKPBSA-N 2 2 354.498 2.359 20 30 FEEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000267955524 329371410 /nfs/dbraw/zinc/37/14/10/329371410.db2.gz SBBRBHBDEQYZIP-VQIMIIECSA-N 2 2 367.497 2.011 20 30 FEEDLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1 ZINC000267955524 329371412 /nfs/dbraw/zinc/37/14/12/329371412.db2.gz SBBRBHBDEQYZIP-VQIMIIECSA-N 2 2 367.497 2.011 20 30 FEEDLP C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160053562 546003480 /nfs/dbraw/zinc/00/34/80/546003480.db2.gz QZPBPHYAKNRHII-IXDOHACOSA-N 2 2 358.490 2.237 20 30 FEEDLP CC[NH+]=C(NCc1ccnc(OC)c1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160103162 546008199 /nfs/dbraw/zinc/00/81/99/546008199.db2.gz IHEJCEIECQRMQY-NVXWUHKLSA-N 2 2 356.474 2.335 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)CC1 ZINC000479068839 561180784 /nfs/dbraw/zinc/18/07/84/561180784.db2.gz OZPXTBGZAIEANT-HNNXBMFYSA-N 2 2 351.516 2.252 20 30 FEEDLP COc1ccc(CCNC(=[NH2+])NCCCNc2cccc[nH+]2)cc1OC ZINC000170905258 546181835 /nfs/dbraw/zinc/18/18/35/546181835.db2.gz SNVFKWPGWZKXMA-UHFFFAOYSA-N 2 2 357.458 2.048 20 30 FEEDLP C[NH+]=C(NCc1ccco1)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000171408600 546207904 /nfs/dbraw/zinc/20/79/04/546207904.db2.gz CHYIYLJMNJFCAB-MRXNPFEDSA-N 2 2 360.458 2.265 20 30 FEEDLP C=CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccc(OC)cc3)CC2)CC1 ZINC000171952783 546231976 /nfs/dbraw/zinc/23/19/76/546231976.db2.gz MXZJOEXZPMDEMG-UHFFFAOYSA-N 2 2 357.498 2.237 20 30 FEEDLP CN(C(=O)c1cc(C#N)cn1C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178928912 546875238 /nfs/dbraw/zinc/87/52/38/546875238.db2.gz YQJQQWQXPIQEQS-OALUTQOASA-N 2 2 371.529 2.306 20 30 FEEDLP CN(C(=O)c1cc(C#N)cn1C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178928912 546875244 /nfs/dbraw/zinc/87/52/44/546875244.db2.gz YQJQQWQXPIQEQS-OALUTQOASA-N 2 2 371.529 2.306 20 30 FEEDLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1cccc(C#N)c1 ZINC000181464444 547318536 /nfs/dbraw/zinc/31/85/36/547318536.db2.gz BZJZGQMBKWFJQY-QGZVFWFLSA-N 2 2 350.470 2.211 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245457113 548926035 /nfs/dbraw/zinc/92/60/35/548926035.db2.gz UDJDLDANYMAGSH-AZUAARDMSA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245457113 548926041 /nfs/dbraw/zinc/92/60/41/548926041.db2.gz UDJDLDANYMAGSH-AZUAARDMSA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245457113 548926043 /nfs/dbraw/zinc/92/60/43/548926043.db2.gz UDJDLDANYMAGSH-AZUAARDMSA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245457113 548926050 /nfs/dbraw/zinc/92/60/50/548926050.db2.gz UDJDLDANYMAGSH-AZUAARDMSA-N 2 2 356.514 2.448 20 30 FEEDLP C/[NH+]=C(/NCc1cn2ccsc2n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261972141 549775600 /nfs/dbraw/zinc/77/56/00/549775600.db2.gz NBKDTRJFMAZPPP-DZGCQCFKSA-N 2 2 357.487 2.251 20 30 FEEDLP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Cn2cc[nH+]c2)cn1 ZINC000491980157 561448661 /nfs/dbraw/zinc/44/86/61/561448661.db2.gz QHMOJIXQBOCQPP-UHFFFAOYSA-N 2 2 355.446 2.026 20 30 FEEDLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411101 550887309 /nfs/dbraw/zinc/88/73/09/550887309.db2.gz NVHOSNFTLMBHIF-LPHOPBHVSA-N 2 2 350.470 2.385 20 30 FEEDLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411101 550887310 /nfs/dbraw/zinc/88/73/10/550887310.db2.gz NVHOSNFTLMBHIF-LPHOPBHVSA-N 2 2 350.470 2.385 20 30 FEEDLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411101 550887311 /nfs/dbraw/zinc/88/73/11/550887311.db2.gz NVHOSNFTLMBHIF-LPHOPBHVSA-N 2 2 350.470 2.385 20 30 FEEDLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411101 550887312 /nfs/dbraw/zinc/88/73/12/550887312.db2.gz NVHOSNFTLMBHIF-LPHOPBHVSA-N 2 2 350.470 2.385 20 30 FEEDLP CCc1ccc(C#CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000293237768 552802089 /nfs/dbraw/zinc/80/20/89/552802089.db2.gz ZNROJKMZOOXUTH-UHFFFAOYSA-N 2 2 353.510 2.275 20 30 FEEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC[N@@H+]1CCOC ZINC000328660667 553803576 /nfs/dbraw/zinc/80/35/76/553803576.db2.gz VSYYNTAXJKPDOT-DLBZAZTESA-N 2 2 363.506 2.026 20 30 FEEDLP CC[C@@H]1CN(C(=O)NC[C@@H]2CCCn3cc(C)[nH+]c32)CC[N@H+]1CCOC ZINC000328660667 553803577 /nfs/dbraw/zinc/80/35/77/553803577.db2.gz VSYYNTAXJKPDOT-DLBZAZTESA-N 2 2 363.506 2.026 20 30 FEEDLP Cc1cc(COCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)on1 ZINC000328762839 553818811 /nfs/dbraw/zinc/81/88/11/553818811.db2.gz ZALNKSJJVXVNML-UHFFFAOYSA-N 2 2 350.463 2.015 20 30 FEEDLP CC[NH+]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000328786351 553822184 /nfs/dbraw/zinc/82/21/84/553822184.db2.gz OPDWMOIVQWIOGO-KRWDZBQOSA-N 2 2 361.490 2.022 20 30 FEEDLP CC[NH+]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC000328786351 553822186 /nfs/dbraw/zinc/82/21/86/553822186.db2.gz OPDWMOIVQWIOGO-KRWDZBQOSA-N 2 2 361.490 2.022 20 30 FEEDLP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@@H+]1C ZINC000329317966 553923908 /nfs/dbraw/zinc/92/39/08/553923908.db2.gz HYXVTOCMJNWEDD-OIISXLGYSA-N 2 2 363.506 2.216 20 30 FEEDLP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)CC[N@H+]1C ZINC000329317966 553923910 /nfs/dbraw/zinc/92/39/10/553923910.db2.gz HYXVTOCMJNWEDD-OIISXLGYSA-N 2 2 363.506 2.216 20 30 FEEDLP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329364213 553932997 /nfs/dbraw/zinc/93/29/97/553932997.db2.gz JMBAIYNNMIRAMW-GOSISDBHSA-N 2 2 354.454 2.434 20 30 FEEDLP [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634365 553980211 /nfs/dbraw/zinc/98/02/11/553980211.db2.gz XCDVHCYNLLUYIH-KSZLIROESA-N 2 2 365.481 2.245 20 30 FEEDLP [O-]C(=[NH+][C@H]1CCc2[nH]c[nH+]c2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634365 553980212 /nfs/dbraw/zinc/98/02/12/553980212.db2.gz XCDVHCYNLLUYIH-KSZLIROESA-N 2 2 365.481 2.245 20 30 FEEDLP [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634365 553980214 /nfs/dbraw/zinc/98/02/14/553980214.db2.gz XCDVHCYNLLUYIH-KSZLIROESA-N 2 2 365.481 2.245 20 30 FEEDLP [O-]C(=[NH+][C@H]1CCc2[nH+]c[nH]c2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000329634365 553980216 /nfs/dbraw/zinc/98/02/16/553980216.db2.gz XCDVHCYNLLUYIH-KSZLIROESA-N 2 2 365.481 2.245 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc4nccnc43)CC2)CC1 ZINC000329666665 553985280 /nfs/dbraw/zinc/98/52/80/553985280.db2.gz LBCPXAFZBCGDDP-UHFFFAOYSA-N 2 2 353.470 2.493 20 30 FEEDLP C[C@H](C[C@@H]1CCCO1)NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000329806468 554009282 /nfs/dbraw/zinc/00/92/82/554009282.db2.gz NYGCCKUZETZKND-MSOLQXFVSA-N 2 2 366.550 2.398 20 30 FEEDLP Cc1c(C#N)cccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000509282722 561793668 /nfs/dbraw/zinc/79/36/68/561793668.db2.gz CLXABJYDQJBOEQ-DFNIBXOVSA-N 2 2 352.482 2.250 20 30 FEEDLP Cc1c(C#N)cccc1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000509282722 561793670 /nfs/dbraw/zinc/79/36/70/561793670.db2.gz CLXABJYDQJBOEQ-DFNIBXOVSA-N 2 2 352.482 2.250 20 30 FEEDLP N#CCCn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccccc2)n1 ZINC000362719981 554983649 /nfs/dbraw/zinc/98/36/49/554983649.db2.gz QSEXEWYMBLTIPS-WOJBJXKFSA-N 2 2 365.481 2.417 20 30 FEEDLP C#CCCOc1ccc(C[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000362984708 555005526 /nfs/dbraw/zinc/00/55/26/555005526.db2.gz UUARSCIFFDRNNA-UHFFFAOYSA-N 2 2 369.509 2.265 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)CC1 ZINC000363205900 555053235 /nfs/dbraw/zinc/05/32/35/555053235.db2.gz YODFOBIHRAWRGF-UHFFFAOYSA-N 2 2 369.509 2.468 20 30 FEEDLP C[N@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365767688 555663168 /nfs/dbraw/zinc/66/31/68/555663168.db2.gz YQMUHYNOVCAONL-UHFFFAOYSA-N 2 2 363.465 2.170 20 30 FEEDLP C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCN(c2cccc[nH+]2)CC1 ZINC000365767688 555663169 /nfs/dbraw/zinc/66/31/69/555663169.db2.gz YQMUHYNOVCAONL-UHFFFAOYSA-N 2 2 363.465 2.170 20 30 FEEDLP Cc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367454801 556054194 /nfs/dbraw/zinc/05/41/94/556054194.db2.gz WVPRQKUVDQWMSI-INIZCTEOSA-N 2 2 355.486 2.499 20 30 FEEDLP Cc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000367454801 556054196 /nfs/dbraw/zinc/05/41/96/556054196.db2.gz WVPRQKUVDQWMSI-INIZCTEOSA-N 2 2 355.486 2.499 20 30 FEEDLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)[nH+]1 ZINC000369899688 556725295 /nfs/dbraw/zinc/72/52/95/556725295.db2.gz JHDDTEBXRRGZMP-LJQANCHMSA-N 2 2 363.465 2.454 20 30 FEEDLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)[nH+]1 ZINC000369899688 556725298 /nfs/dbraw/zinc/72/52/98/556725298.db2.gz JHDDTEBXRRGZMP-LJQANCHMSA-N 2 2 363.465 2.454 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000519294906 562128783 /nfs/dbraw/zinc/12/87/83/562128783.db2.gz SOZVWEPIYRLOGZ-SFHVURJKSA-N 2 2 353.470 2.459 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000372728951 557548586 /nfs/dbraw/zinc/54/85/86/557548586.db2.gz JZAGAZPNEVRTEM-AZUAARDMSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000372728951 557548588 /nfs/dbraw/zinc/54/85/88/557548588.db2.gz JZAGAZPNEVRTEM-AZUAARDMSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000372728951 557548590 /nfs/dbraw/zinc/54/85/90/557548590.db2.gz JZAGAZPNEVRTEM-AZUAARDMSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000372728951 557548593 /nfs/dbraw/zinc/54/85/93/557548593.db2.gz JZAGAZPNEVRTEM-AZUAARDMSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1csc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)n1 ZINC000520292820 562152635 /nfs/dbraw/zinc/15/26/35/562152635.db2.gz JCVITSIBRXCQJE-UHFFFAOYSA-N 2 2 368.466 2.378 20 30 FEEDLP CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374242457 557849397 /nfs/dbraw/zinc/84/93/97/557849397.db2.gz XEWKRPHECZNGRO-TVPLGVNVSA-N 2 2 361.534 2.126 20 30 FEEDLP CN(C(=O)NCC1CCC(C#N)CC1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374242457 557849398 /nfs/dbraw/zinc/84/93/98/557849398.db2.gz XEWKRPHECZNGRO-TVPLGVNVSA-N 2 2 361.534 2.126 20 30 FEEDLP C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378365523 558540175 /nfs/dbraw/zinc/54/01/75/558540175.db2.gz KRDYTSWYHPROHW-AWEZNQCLSA-N 2 2 359.449 2.330 20 30 FEEDLP C[C@H]1CN(C(=O)Nc2ccc(F)c(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378365523 558540177 /nfs/dbraw/zinc/54/01/77/558540177.db2.gz KRDYTSWYHPROHW-AWEZNQCLSA-N 2 2 359.449 2.330 20 30 FEEDLP C[C@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000443244480 560076141 /nfs/dbraw/zinc/07/61/41/560076141.db2.gz OZHYVLVLXVFCBK-KRWDZBQOSA-N 2 2 371.529 2.362 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccccc3C#N)C2)CC1 ZINC000449497096 560231945 /nfs/dbraw/zinc/23/19/45/560231945.db2.gz KEAOZNHGBYENCZ-LJQANCHMSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3C#N)C2)CC1 ZINC000449497096 560231946 /nfs/dbraw/zinc/23/19/46/560231946.db2.gz KEAOZNHGBYENCZ-LJQANCHMSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)CC1 ZINC000449497096 560231947 /nfs/dbraw/zinc/23/19/47/560231947.db2.gz KEAOZNHGBYENCZ-LJQANCHMSA-N 2 2 354.498 2.324 20 30 FEEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3ccc(OC(C)C)cc32)CC1 ZINC000450233848 560255007 /nfs/dbraw/zinc/25/50/07/560255007.db2.gz PABJSGMAPZYQBK-UHFFFAOYSA-N 2 2 368.481 2.446 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)CC1 ZINC000450396393 560261238 /nfs/dbraw/zinc/26/12/38/560261238.db2.gz WRAXRKXYOZTWRM-UHFFFAOYSA-N 2 2 357.458 2.461 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540757 560313191 /nfs/dbraw/zinc/31/31/91/560313191.db2.gz XFJNYFRQPZICMN-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540757 560313192 /nfs/dbraw/zinc/31/31/92/560313192.db2.gz XFJNYFRQPZICMN-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540757 560313193 /nfs/dbraw/zinc/31/31/93/560313193.db2.gz XFJNYFRQPZICMN-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540757 560313194 /nfs/dbraw/zinc/31/31/94/560313194.db2.gz XFJNYFRQPZICMN-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540759 560313350 /nfs/dbraw/zinc/31/33/50/560313350.db2.gz XFJNYFRQPZICMN-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540759 560313351 /nfs/dbraw/zinc/31/33/51/560313351.db2.gz XFJNYFRQPZICMN-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540759 560313352 /nfs/dbraw/zinc/31/33/52/560313352.db2.gz XFJNYFRQPZICMN-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(F)c(C#N)c3)C2)CC1 ZINC000451540759 560313353 /nfs/dbraw/zinc/31/33/53/560313353.db2.gz XFJNYFRQPZICMN-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP C[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000455906082 560499858 /nfs/dbraw/zinc/49/98/58/560499858.db2.gz MWNRLTOJDXLIHH-INIZCTEOSA-N 2 2 355.486 2.385 20 30 FEEDLP C[C@H]1CN(C(=O)Nc2cccc(CC#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000455906082 560499859 /nfs/dbraw/zinc/49/98/59/560499859.db2.gz MWNRLTOJDXLIHH-INIZCTEOSA-N 2 2 355.486 2.385 20 30 FEEDLP CC[N@@H+]1CC[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399344 562326795 /nfs/dbraw/zinc/32/67/95/562326795.db2.gz VVWVPUYUAXVJRG-DLBZAZTESA-N 2 2 353.466 2.091 20 30 FEEDLP CC[N@H+]1CC[C@@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399344 562326796 /nfs/dbraw/zinc/32/67/96/562326796.db2.gz VVWVPUYUAXVJRG-DLBZAZTESA-N 2 2 353.466 2.091 20 30 FEEDLP CC[NH+]1CC[C@@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399344 562326797 /nfs/dbraw/zinc/32/67/97/562326797.db2.gz VVWVPUYUAXVJRG-DLBZAZTESA-N 2 2 353.466 2.091 20 30 FEEDLP CC[NH+]1CC[C@@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399344 562326798 /nfs/dbraw/zinc/32/67/98/562326798.db2.gz VVWVPUYUAXVJRG-DLBZAZTESA-N 2 2 353.466 2.091 20 30 FEEDLP C[NH+]1CCC(CNC(=O)Cc2cccc(C#N)c2)([NH+]2CCCCC2)CC1 ZINC000530675765 562420247 /nfs/dbraw/zinc/42/02/47/562420247.db2.gz VRKZEZMRLDZLPA-UHFFFAOYSA-N 2 2 354.498 2.167 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3c[nH+]ccc3C)CC2)CC1 ZINC000540979193 562599309 /nfs/dbraw/zinc/59/93/09/562599309.db2.gz CIHRYTIOKQXXFU-UHFFFAOYSA-N 2 2 357.502 2.262 20 30 FEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000602534375 567992068 /nfs/dbraw/zinc/99/20/68/567992068.db2.gz RGPNYVGJZULCCT-IBGZPJMESA-N 3 2 371.529 2.282 20 30 FEEDLP C[C@H]1C[NH+](CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)N1CC#N ZINC000602849390 568000984 /nfs/dbraw/zinc/00/09/84/568000984.db2.gz LAZCYVACKSJYSM-PMACEKPBSA-N 2 2 355.530 2.117 20 30 FEEDLP C[NH+](C)[C@H](CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722802 686253513 /nfs/dbraw/zinc/25/35/13/686253513.db2.gz FMUMMHRKVPKYAC-QZTJIDSGSA-N 2 2 354.479 2.226 20 30 FEEDLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1C#N ZINC000521643293 821319623 /nfs/dbraw/zinc/31/96/23/821319623.db2.gz BKJUWOAHFUDIHQ-INIZCTEOSA-N 2 2 374.876 2.328 20 30 FEEDLP C=CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274457 540403389 /nfs/dbraw/zinc/40/33/89/540403389.db2.gz JHAQHLULLADGDL-QGZVFWFLSA-N 2 2 365.543 2.209 20 30 FEEDLP C=CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274457 540403392 /nfs/dbraw/zinc/40/33/92/540403392.db2.gz JHAQHLULLADGDL-QGZVFWFLSA-N 2 2 365.543 2.209 20 30 FEEDLP C=CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274457 540403396 /nfs/dbraw/zinc/40/33/96/540403396.db2.gz JHAQHLULLADGDL-QGZVFWFLSA-N 2 2 365.543 2.209 20 30 FEEDLP C=CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274457 540403397 /nfs/dbraw/zinc/40/33/97/540403397.db2.gz JHAQHLULLADGDL-QGZVFWFLSA-N 2 2 365.543 2.209 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)NCc2ccc(N3CCCCCC3)[nH+]c2)CC1 ZINC000057173099 540776111 /nfs/dbraw/zinc/77/61/11/540776111.db2.gz RRRSHRNVYZHFAD-UHFFFAOYSA-N 2 2 354.498 2.423 20 30 FEEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109772 542233955 /nfs/dbraw/zinc/23/39/55/542233955.db2.gz QJZFLFPQOUIYHE-RXVVDRJESA-N 2 2 354.498 2.249 20 30 FEEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109772 542233958 /nfs/dbraw/zinc/23/39/58/542233958.db2.gz QJZFLFPQOUIYHE-RXVVDRJESA-N 2 2 354.498 2.249 20 30 FEEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109772 542233959 /nfs/dbraw/zinc/23/39/59/542233959.db2.gz QJZFLFPQOUIYHE-RXVVDRJESA-N 2 2 354.498 2.249 20 30 FEEDLP C[NH+](CC(=O)N[C@@](C)(C#N)C1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109772 542233962 /nfs/dbraw/zinc/23/39/62/542233962.db2.gz QJZFLFPQOUIYHE-RXVVDRJESA-N 2 2 354.498 2.249 20 30 FEEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccc(N(C)CCC#N)cc2)CC1 ZINC000093045992 542904155 /nfs/dbraw/zinc/90/41/55/542904155.db2.gz VZPMCCBFCNZHSE-UHFFFAOYSA-N 2 2 371.529 2.022 20 30 FEEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480996 543520651 /nfs/dbraw/zinc/52/06/51/543520651.db2.gz OZTCNQOBYNUHNM-OAQYLSRUSA-N 2 2 354.498 2.391 20 30 FEEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480996 543520654 /nfs/dbraw/zinc/52/06/54/543520654.db2.gz OZTCNQOBYNUHNM-OAQYLSRUSA-N 2 2 354.498 2.391 20 30 FEEDLP C[NH+](C)CCCC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000123433839 543761993 /nfs/dbraw/zinc/76/19/93/543761993.db2.gz FWAARJYLVFBRDZ-UHFFFAOYSA-N 2 2 363.527 2.386 20 30 FEEDLP Cn1cc[nH+]c1CC1CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000106164623 325587472 /nfs/dbraw/zinc/58/74/72/325587472.db2.gz PQXCMWUFZBTYEQ-IBGZPJMESA-N 2 2 363.465 2.352 20 30 FEEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C#N)cc3F)CC2)CC1 ZINC000109789580 325677451 /nfs/dbraw/zinc/67/74/51/325677451.db2.gz HEDAXKSMUYOCRU-UHFFFAOYSA-N 2 2 358.461 2.073 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(F)c(C#N)c3)CC2)CC1 ZINC000120092524 326229970 /nfs/dbraw/zinc/22/99/70/326229970.db2.gz GRBDQLODZDSNEP-UHFFFAOYSA-N 2 2 359.449 2.377 20 30 FEEDLP C[NH+]1CCC(CNC(=O)COc2ccccc2C#N)([NH+]2CCCCC2)CC1 ZINC000172751041 327216978 /nfs/dbraw/zinc/21/69/78/327216978.db2.gz FBTFGADWMMWYHZ-UHFFFAOYSA-N 2 2 370.497 2.004 20 30 FEEDLP COc1ccc(CCNC(=[NH2+])NCCc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000170908313 546181382 /nfs/dbraw/zinc/18/13/82/546181382.db2.gz ZABKSWNMJSLRMZ-UHFFFAOYSA-N 2 2 367.453 2.270 20 30 FEEDLP C=CC[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000172065084 546235543 /nfs/dbraw/zinc/23/55/43/546235543.db2.gz GRCNPTXBOJFSMO-UHFFFAOYSA-N 2 2 357.498 2.332 20 30 FEEDLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000177487916 546628803 /nfs/dbraw/zinc/62/88/03/546628803.db2.gz YZBLZPQRUHFMDO-HXUWFJFHSA-N 2 2 370.497 2.143 20 30 FEEDLP CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261931039 549771264 /nfs/dbraw/zinc/77/12/64/549771264.db2.gz BIOZPSMARGNFAK-GJYPPUQNSA-N 2 2 359.474 2.232 20 30 FEEDLP [NH2+]=C(NCCc1cn2ccccc2[nH+]1)N1CCN(c2ccc(F)cc2)CC1 ZINC000263252073 549889781 /nfs/dbraw/zinc/88/97/81/549889781.db2.gz PDNVUSAPLYVESI-UHFFFAOYSA-N 2 2 366.444 2.153 20 30 FEEDLP C#CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000270370951 550266051 /nfs/dbraw/zinc/26/60/51/550266051.db2.gz TXUAMKFBRRQNAJ-FQEVSTJZSA-N 2 2 356.514 2.418 20 30 FEEDLP C#CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000270370951 550266053 /nfs/dbraw/zinc/26/60/53/550266053.db2.gz TXUAMKFBRRQNAJ-FQEVSTJZSA-N 2 2 356.514 2.418 20 30 FEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000285517626 551768777 /nfs/dbraw/zinc/76/87/77/551768777.db2.gz BPTCOQYXXUDPBT-VOBGVNJCSA-N 2 2 369.509 2.433 20 30 FEEDLP C#CCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000285517626 551768778 /nfs/dbraw/zinc/76/87/78/551768778.db2.gz BPTCOQYXXUDPBT-VOBGVNJCSA-N 2 2 369.509 2.433 20 30 FEEDLP Cc1ncsc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000289481148 552328532 /nfs/dbraw/zinc/32/85/32/552328532.db2.gz YAXHLUZDDTZJHE-UHFFFAOYSA-N 2 2 360.483 2.245 20 30 FEEDLP C[NH+](C)C1(CNC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)CCCCCC1 ZINC000330240200 554091506 /nfs/dbraw/zinc/09/15/06/554091506.db2.gz VWMPKJBKQYFRQR-UHFFFAOYSA-N 2 2 367.538 2.486 20 30 FEEDLP CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000360617763 554882099 /nfs/dbraw/zinc/88/20/99/554882099.db2.gz IJKRUCCUTXEQFS-HXUWFJFHSA-N 2 2 366.509 2.482 20 30 FEEDLP CN(C(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000360617763 554882100 /nfs/dbraw/zinc/88/21/00/554882100.db2.gz IJKRUCCUTXEQFS-HXUWFJFHSA-N 2 2 366.509 2.482 20 30 FEEDLP N#CCCN(C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000360925871 554895223 /nfs/dbraw/zinc/89/52/23/554895223.db2.gz HQHKOEAWDBZGNQ-HOJAQTOUSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000360925871 554895224 /nfs/dbraw/zinc/89/52/24/554895224.db2.gz HQHKOEAWDBZGNQ-HOJAQTOUSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000360925871 554895225 /nfs/dbraw/zinc/89/52/25/554895225.db2.gz HQHKOEAWDBZGNQ-HOJAQTOUSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000360925871 554895226 /nfs/dbraw/zinc/89/52/26/554895226.db2.gz HQHKOEAWDBZGNQ-HOJAQTOUSA-N 2 2 352.482 2.349 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N(C)C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000363009071 555009460 /nfs/dbraw/zinc/00/94/60/555009460.db2.gz LLMMWHYBZKJNOV-UHFFFAOYSA-N 2 2 357.502 2.342 20 30 FEEDLP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)CCO1 ZINC000364729575 555387054 /nfs/dbraw/zinc/38/70/54/555387054.db2.gz IODHJOPKCYSWAA-AWEZNQCLSA-N 2 2 362.499 2.133 20 30 FEEDLP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)CCO1 ZINC000364729575 555387055 /nfs/dbraw/zinc/38/70/55/555387055.db2.gz IODHJOPKCYSWAA-AWEZNQCLSA-N 2 2 362.499 2.133 20 30 FEEDLP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000513001365 561922224 /nfs/dbraw/zinc/92/22/24/561922224.db2.gz FZCUWZCZGSAOBS-YQQQUEKLSA-N 2 2 357.498 2.425 20 30 FEEDLP C=CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000513001365 561922226 /nfs/dbraw/zinc/92/22/26/561922226.db2.gz FZCUWZCZGSAOBS-YQQQUEKLSA-N 2 2 357.498 2.425 20 30 FEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000368544531 556341171 /nfs/dbraw/zinc/34/11/71/556341171.db2.gz VLKXAQQLFIDWSS-FQEVSTJZSA-N 2 2 371.481 2.207 20 30 FEEDLP C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368615650 556363489 /nfs/dbraw/zinc/36/34/89/556363489.db2.gz AVWCYBVIDUAOSN-UXHICEINSA-N 2 2 368.525 2.089 20 30 FEEDLP C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368615650 556363494 /nfs/dbraw/zinc/36/34/94/556363494.db2.gz AVWCYBVIDUAOSN-UXHICEINSA-N 2 2 368.525 2.089 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)CC1 ZINC000369041873 556486035 /nfs/dbraw/zinc/48/60/35/556486035.db2.gz OHDSTUIOKREDKP-UHFFFAOYSA-N 2 2 354.458 2.107 20 30 FEEDLP C=C(C)[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)OCC ZINC000371063436 557063087 /nfs/dbraw/zinc/06/30/87/557063087.db2.gz OUURDSFGQLJFFD-SFHVURJKSA-N 2 2 351.535 2.424 20 30 FEEDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000372360894 557449745 /nfs/dbraw/zinc/44/97/45/557449745.db2.gz XQTAKGZBFYDTPI-BMFZPTHFSA-N 2 2 362.499 2.037 20 30 FEEDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000372360894 557449748 /nfs/dbraw/zinc/44/97/48/557449748.db2.gz XQTAKGZBFYDTPI-BMFZPTHFSA-N 2 2 362.499 2.037 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000373511149 557708378 /nfs/dbraw/zinc/70/83/78/557708378.db2.gz WRUZUTBQALLEAS-GOSISDBHSA-N 2 2 354.498 2.386 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)C2)CC1 ZINC000373511149 557708381 /nfs/dbraw/zinc/70/83/81/557708381.db2.gz WRUZUTBQALLEAS-GOSISDBHSA-N 2 2 354.498 2.386 20 30 FEEDLP C[NH+]1CCC2(CCC[N@@H+](CCS(=O)(=O)c3ccc(C#N)cc3)C2)CC1 ZINC000374075758 557819049 /nfs/dbraw/zinc/81/90/49/557819049.db2.gz WMPDMUKZSRHGKF-UHFFFAOYSA-N 2 2 361.511 2.140 20 30 FEEDLP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000390655006 558611562 /nfs/dbraw/zinc/61/15/62/558611562.db2.gz FXKKYPKFKZYNIK-PXNSSMCTSA-N 2 2 353.466 2.408 20 30 FEEDLP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000390655006 558611564 /nfs/dbraw/zinc/61/15/64/558611564.db2.gz FXKKYPKFKZYNIK-PXNSSMCTSA-N 2 2 353.466 2.408 20 30 FEEDLP C=CCn1c(C2CC2)nnc1N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421264394 559534415 /nfs/dbraw/zinc/53/44/15/559534415.db2.gz DWMOGDIHZNRKBT-UHFFFAOYSA-N 2 2 358.534 2.338 20 30 FEEDLP C=CCn1c(C2CC2)nnc1N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000421264394 559534416 /nfs/dbraw/zinc/53/44/16/559534416.db2.gz DWMOGDIHZNRKBT-UHFFFAOYSA-N 2 2 358.534 2.338 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424178700 559656944 /nfs/dbraw/zinc/65/69/44/559656944.db2.gz XETFZSKUXOLPEK-OWCLPIDISA-N 2 2 352.841 2.362 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424178700 559656945 /nfs/dbraw/zinc/65/69/45/559656945.db2.gz XETFZSKUXOLPEK-OWCLPIDISA-N 2 2 352.841 2.362 20 30 FEEDLP C=CCNC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)CC1 ZINC000450233842 560255018 /nfs/dbraw/zinc/25/50/18/560255018.db2.gz OYJMLFCNIPKGPB-UHFFFAOYSA-N 2 2 362.836 2.452 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524165 560311824 /nfs/dbraw/zinc/31/18/24/560311824.db2.gz BQNBTJKJHGWQAE-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524165 560311825 /nfs/dbraw/zinc/31/18/25/560311825.db2.gz BQNBTJKJHGWQAE-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524165 560311826 /nfs/dbraw/zinc/31/18/26/560311826.db2.gz BQNBTJKJHGWQAE-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524165 560311827 /nfs/dbraw/zinc/31/18/27/560311827.db2.gz BQNBTJKJHGWQAE-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000528502650 562332803 /nfs/dbraw/zinc/33/28/03/562332803.db2.gz JZSHEZPMCWWQLS-DLBZAZTESA-N 2 2 356.470 2.190 20 30 FEEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336767 562407349 /nfs/dbraw/zinc/40/73/49/562407349.db2.gz VFXZMKJDWOBHDL-AOIWGVFYSA-N 2 2 354.498 2.438 20 30 FEEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336767 562407350 /nfs/dbraw/zinc/40/73/50/562407350.db2.gz VFXZMKJDWOBHDL-AOIWGVFYSA-N 2 2 354.498 2.438 20 30 FEEDLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421711 568401771 /nfs/dbraw/zinc/40/17/71/568401771.db2.gz XHNNLJKHJRLSNJ-CALCHBBNSA-N 2 2 363.527 2.290 20 30 FEEDLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569421711 568401772 /nfs/dbraw/zinc/40/17/72/568401772.db2.gz XHNNLJKHJRLSNJ-CALCHBBNSA-N 2 2 363.527 2.290 20 30 FEEDLP C=C(Br)CNC(NCC1([NH+]2CCOCC2)CCCCC1)=[NH+]C ZINC000171617160 672333882 /nfs/dbraw/zinc/33/38/82/672333882.db2.gz AGDQQXKTFCUUSP-UHFFFAOYSA-N 2 2 373.339 2.095 20 30 FEEDLP C=C(Cl)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033092917 680417069 /nfs/dbraw/zinc/41/70/69/680417069.db2.gz SANWCIUPAOXEAO-KSZLIROESA-N 2 2 369.937 2.019 20 30 FEEDLP C=C(Cl)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033092917 680417071 /nfs/dbraw/zinc/41/70/71/680417071.db2.gz SANWCIUPAOXEAO-KSZLIROESA-N 2 2 369.937 2.019 20 30 FEEDLP C=C(Br)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000971567585 682361379 /nfs/dbraw/zinc/36/13/79/682361379.db2.gz RFPQXVPQPHPZMO-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000971567585 682361384 /nfs/dbraw/zinc/36/13/84/682361384.db2.gz RFPQXVPQPHPZMO-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971567585 682361388 /nfs/dbraw/zinc/36/13/88/682361388.db2.gz RFPQXVPQPHPZMO-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000971567585 682361392 /nfs/dbraw/zinc/36/13/92/682361392.db2.gz RFPQXVPQPHPZMO-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000876713616 686251404 /nfs/dbraw/zinc/25/14/04/686251404.db2.gz LPEDCHMHLKHZAO-AWEZNQCLSA-N 2 2 351.882 2.027 20 30 FEEDLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000067684073 541498805 /nfs/dbraw/zinc/49/88/05/541498805.db2.gz ARJTTZBBZYVWPD-FQEVSTJZSA-N 2 2 369.513 2.116 20 30 FEEDLP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000067684073 541498808 /nfs/dbraw/zinc/49/88/08/541498808.db2.gz ARJTTZBBZYVWPD-FQEVSTJZSA-N 2 2 369.513 2.116 20 30 FEEDLP C=CC1CC[NH+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC000111258966 543389735 /nfs/dbraw/zinc/38/97/35/543389735.db2.gz NMWRWBPOPNYHNC-UHFFFAOYSA-N 2 2 371.529 2.455 20 30 FEEDLP C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480998 543519940 /nfs/dbraw/zinc/51/99/40/543519940.db2.gz OZTCNQOBYNUHNM-NRFANRHFSA-N 2 2 354.498 2.391 20 30 FEEDLP C[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480998 543519942 /nfs/dbraw/zinc/51/99/42/543519942.db2.gz OZTCNQOBYNUHNM-NRFANRHFSA-N 2 2 354.498 2.391 20 30 FEEDLP CN(C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000123577993 543770483 /nfs/dbraw/zinc/77/04/83/543770483.db2.gz UQWZAAIWCFBINM-KRWDZBQOSA-N 2 2 357.502 2.359 20 30 FEEDLP CN(C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1(C#N)CCCCC1 ZINC000123577993 543770486 /nfs/dbraw/zinc/77/04/86/543770486.db2.gz UQWZAAIWCFBINM-KRWDZBQOSA-N 2 2 357.502 2.359 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000133154478 544258009 /nfs/dbraw/zinc/25/80/09/544258009.db2.gz VQTZYKUKMUBYEY-OALUTQOASA-N 2 2 361.436 2.171 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000133154478 544258011 /nfs/dbraw/zinc/25/80/11/544258011.db2.gz VQTZYKUKMUBYEY-OALUTQOASA-N 2 2 361.436 2.171 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000139058382 544399376 /nfs/dbraw/zinc/39/93/76/544399376.db2.gz JFOLMXKSHWQRCL-QGZVFWFLSA-N 2 2 359.518 2.425 20 30 FEEDLP CC(C)Oc1ccc(C#N)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175265556 327383497 /nfs/dbraw/zinc/38/34/97/327383497.db2.gz LSDBADFSLBZYBR-UHFFFAOYSA-N 2 2 373.501 2.493 20 30 FEEDLP CC1(C)C[NH+]=C(N2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)S1 ZINC000266961849 329277246 /nfs/dbraw/zinc/27/72/46/329277246.db2.gz WTIFMCPFVJFHHC-UHFFFAOYSA-N 2 2 371.510 2.386 20 30 FEEDLP CC[NH+]=C(NCc1ccnc(OC)c1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160103436 546008276 /nfs/dbraw/zinc/00/82/76/546008276.db2.gz IHEJCEIECQRMQY-WBVHZDCISA-N 2 2 356.474 2.335 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(SCC#N)c1 ZINC000176026657 546391909 /nfs/dbraw/zinc/39/19/09/546391909.db2.gz SRVCQIRCJFVMGM-UHFFFAOYSA-N 2 2 360.527 2.400 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(SCC#N)c1 ZINC000176026657 546391912 /nfs/dbraw/zinc/39/19/12/546391912.db2.gz SRVCQIRCJFVMGM-UHFFFAOYSA-N 2 2 360.527 2.400 20 30 FEEDLP CC[N@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488703363 561394895 /nfs/dbraw/zinc/39/48/95/561394895.db2.gz VGMIDFKJPYZXJN-ROUUACIJSA-N 2 2 372.513 2.005 20 30 FEEDLP CC[N@@H+](C[C@@H](C)C#N)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488703363 561394896 /nfs/dbraw/zinc/39/48/96/561394896.db2.gz VGMIDFKJPYZXJN-ROUUACIJSA-N 2 2 372.513 2.005 20 30 FEEDLP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261952161 549773861 /nfs/dbraw/zinc/77/38/61/549773861.db2.gz HTGHSNLTPXZFHQ-FUHWJXTLSA-N 2 2 365.485 2.498 20 30 FEEDLP CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261995303 549778103 /nfs/dbraw/zinc/77/81/03/549778103.db2.gz SFVAGTFEMFHHRU-HNAYVOBHSA-N 2 2 371.533 2.400 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N1CC[C@@H](COC)C1 ZINC000262450090 549820506 /nfs/dbraw/zinc/82/05/06/549820506.db2.gz JPKKJZQXHPQMQK-LSDHHAIUSA-N 2 2 350.532 2.038 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N1CC[C@@H](COC)C1 ZINC000262450090 549820507 /nfs/dbraw/zinc/82/05/07/549820507.db2.gz JPKKJZQXHPQMQK-LSDHHAIUSA-N 2 2 350.532 2.038 20 30 FEEDLP CN(Cc1cccs1)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266991233 550026626 /nfs/dbraw/zinc/02/66/26/550026626.db2.gz BCZNYUQXSYSXLZ-UHFFFAOYSA-N 2 2 360.483 2.105 20 30 FEEDLP CN(C)C(=O)c1cccc(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000267038792 550027299 /nfs/dbraw/zinc/02/72/99/550027299.db2.gz YKMGANFZHBMTII-UHFFFAOYSA-N 2 2 354.454 2.287 20 30 FEEDLP C#CC[NH+]1CCC(c2nc([C@@H]3C[N@H+](Cc4ccccc4)CCO3)no2)CC1 ZINC000272655606 550463324 /nfs/dbraw/zinc/46/33/24/550463324.db2.gz NQYXBEGJAXXHHL-IBGZPJMESA-N 2 2 366.465 2.456 20 30 FEEDLP C#CC[NH+]1CCC(c2nc([C@@H]3C[N@@H+](Cc4ccccc4)CCO3)no2)CC1 ZINC000272655606 550463325 /nfs/dbraw/zinc/46/33/25/550463325.db2.gz NQYXBEGJAXXHHL-IBGZPJMESA-N 2 2 366.465 2.456 20 30 FEEDLP N#CCCN(CCC#N)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278781591 550821339 /nfs/dbraw/zinc/82/13/39/550821339.db2.gz DGHKBUQDDDLBOQ-UHFFFAOYSA-N 2 2 368.485 2.055 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280455397 550995991 /nfs/dbraw/zinc/99/59/91/550995991.db2.gz NYXJFJDHDFCHAT-SZPZYZBQSA-N 2 2 374.488 2.238 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280455397 550995993 /nfs/dbraw/zinc/99/59/93/550995993.db2.gz NYXJFJDHDFCHAT-SZPZYZBQSA-N 2 2 374.488 2.238 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280455397 550995995 /nfs/dbraw/zinc/99/59/95/550995995.db2.gz NYXJFJDHDFCHAT-SZPZYZBQSA-N 2 2 374.488 2.238 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280455397 550995997 /nfs/dbraw/zinc/99/59/97/550995997.db2.gz NYXJFJDHDFCHAT-SZPZYZBQSA-N 2 2 374.488 2.238 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679857 551794298 /nfs/dbraw/zinc/79/42/98/551794298.db2.gz USZLFHIACLNYHB-YADHBBJMSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679857 551794300 /nfs/dbraw/zinc/79/43/00/551794300.db2.gz USZLFHIACLNYHB-YADHBBJMSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679857 551794301 /nfs/dbraw/zinc/79/43/01/551794301.db2.gz USZLFHIACLNYHB-YADHBBJMSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679857 551794302 /nfs/dbraw/zinc/79/43/02/551794302.db2.gz USZLFHIACLNYHB-YADHBBJMSA-N 2 2 366.509 2.393 20 30 FEEDLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968391 552775639 /nfs/dbraw/zinc/77/56/39/552775639.db2.gz MCTZXLJDKQMHFE-PZJWPPBQSA-N 2 2 352.482 2.471 20 30 FEEDLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968391 552775641 /nfs/dbraw/zinc/77/56/41/552775641.db2.gz MCTZXLJDKQMHFE-PZJWPPBQSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968391 552775643 /nfs/dbraw/zinc/77/56/43/552775643.db2.gz MCTZXLJDKQMHFE-PZJWPPBQSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968391 552775644 /nfs/dbraw/zinc/77/56/44/552775644.db2.gz MCTZXLJDKQMHFE-PZJWPPBQSA-N 2 2 352.482 2.471 20 30 FEEDLP CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329971984 554041740 /nfs/dbraw/zinc/04/17/40/554041740.db2.gz VWAYBIJYLAHGAA-HMQMGEFJSA-N 2 2 360.506 2.018 20 30 FEEDLP CCN1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329971984 554041742 /nfs/dbraw/zinc/04/17/42/554041742.db2.gz VWAYBIJYLAHGAA-HMQMGEFJSA-N 2 2 360.506 2.018 20 30 FEEDLP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+]2CCC(F)(C#N)CC2)CC1 ZINC000510966878 561852517 /nfs/dbraw/zinc/85/25/17/561852517.db2.gz JLPMTHRWHBQTIN-KRWDZBQOSA-N 2 2 358.461 2.219 20 30 FEEDLP CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363870693 555203118 /nfs/dbraw/zinc/20/31/18/555203118.db2.gz WYDBHHZLGWEEMZ-WMZOPIPTSA-N 2 2 352.523 2.242 20 30 FEEDLP CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363870693 555203120 /nfs/dbraw/zinc/20/31/20/555203120.db2.gz WYDBHHZLGWEEMZ-WMZOPIPTSA-N 2 2 352.523 2.242 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364898750 555430101 /nfs/dbraw/zinc/43/01/01/555430101.db2.gz WNJKMTRCFIRMQG-YOEHRIQHSA-N 2 2 363.531 2.014 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364898750 555430102 /nfs/dbraw/zinc/43/01/02/555430102.db2.gz WNJKMTRCFIRMQG-YOEHRIQHSA-N 2 2 363.531 2.014 20 30 FEEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000364920497 555437498 /nfs/dbraw/zinc/43/74/98/555437498.db2.gz ZEQQSNIUPXPXFE-VBQJREDUSA-N 2 2 363.531 2.012 20 30 FEEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@H](C)C(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000364920497 555437501 /nfs/dbraw/zinc/43/75/01/555437501.db2.gz ZEQQSNIUPXPXFE-VBQJREDUSA-N 2 2 363.531 2.012 20 30 FEEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NCc2ccc(C#N)cc2)[nH+]1 ZINC000369899686 556725217 /nfs/dbraw/zinc/72/52/17/556725217.db2.gz JHDDTEBXRRGZMP-IBGZPJMESA-N 2 2 363.465 2.454 20 30 FEEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NCc2ccc(C#N)cc2)[nH+]1 ZINC000369899686 556725219 /nfs/dbraw/zinc/72/52/19/556725219.db2.gz JHDDTEBXRRGZMP-IBGZPJMESA-N 2 2 363.465 2.454 20 30 FEEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370018726 556759415 /nfs/dbraw/zinc/75/94/15/556759415.db2.gz JFVNYIVVIZMEIV-QGZVFWFLSA-N 2 2 368.485 2.055 20 30 FEEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370018726 556759418 /nfs/dbraw/zinc/75/94/18/556759418.db2.gz JFVNYIVVIZMEIV-QGZVFWFLSA-N 2 2 368.485 2.055 20 30 FEEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000519586742 562135855 /nfs/dbraw/zinc/13/58/55/562135855.db2.gz SRWLZGCLPTXZLR-QGZVFWFLSA-N 2 2 357.458 2.067 20 30 FEEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000519586742 562135856 /nfs/dbraw/zinc/13/58/56/562135856.db2.gz SRWLZGCLPTXZLR-QGZVFWFLSA-N 2 2 357.458 2.067 20 30 FEEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372671960 557534425 /nfs/dbraw/zinc/53/44/25/557534425.db2.gz FTOYBWKXHLVVQP-LEWJYISDSA-N 2 2 350.466 2.361 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC(=O)N4CCCC[C@@H]34)CC2)cc1 ZINC000374503956 557892271 /nfs/dbraw/zinc/89/22/71/557892271.db2.gz KFNZNVQOYWRSRD-PMACEKPBSA-N 2 2 352.482 2.266 20 30 FEEDLP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000378449913 558560001 /nfs/dbraw/zinc/56/00/01/558560001.db2.gz HDSRKEPNSSMZAL-UIAACRFSSA-N 2 2 352.482 2.122 20 30 FEEDLP C=CCn1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)nn1 ZINC000424172226 559656737 /nfs/dbraw/zinc/65/67/37/559656737.db2.gz NOZXAGDVPPKSNE-UHFFFAOYSA-N 2 2 360.893 2.159 20 30 FEEDLP C=CCCSc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000427106676 559747968 /nfs/dbraw/zinc/74/79/68/559747968.db2.gz FYSQNXHOYMHGPT-OAHLLOKOSA-N 2 2 353.536 2.291 20 30 FEEDLP N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000528502653 562332866 /nfs/dbraw/zinc/33/28/66/562332866.db2.gz JZSHEZPMCWWQLS-SJORKVTESA-N 2 2 356.470 2.190 20 30 FEEDLP FC(F)O[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@H](OC(F)F)C2)C1 ZINC000671243042 679318470 /nfs/dbraw/zinc/31/84/70/679318470.db2.gz LKGOOZOKCRNQSM-KBPBESRZSA-N 2 2 352.372 2.397 20 30 FEEDLP FC(F)O[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](OC(F)F)C2)C1 ZINC000671243042 679318471 /nfs/dbraw/zinc/31/84/71/679318471.db2.gz LKGOOZOKCRNQSM-KBPBESRZSA-N 2 2 352.372 2.397 20 30 FEEDLP C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001007360677 680636727 /nfs/dbraw/zinc/63/67/27/680636727.db2.gz SUYKSDKYTRWYJI-KURKYZTESA-N 2 2 369.937 2.066 20 30 FEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001007360677 680636732 /nfs/dbraw/zinc/63/67/32/680636732.db2.gz SUYKSDKYTRWYJI-KURKYZTESA-N 2 2 369.937 2.066 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049481248 681032650 /nfs/dbraw/zinc/03/26/50/681032650.db2.gz HVZDNAOJMITBMJ-WCVJEAGWSA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049481248 681032651 /nfs/dbraw/zinc/03/26/51/681032651.db2.gz HVZDNAOJMITBMJ-WCVJEAGWSA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049481248 681032652 /nfs/dbraw/zinc/03/26/52/681032652.db2.gz HVZDNAOJMITBMJ-WCVJEAGWSA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049481248 681032653 /nfs/dbraw/zinc/03/26/53/681032653.db2.gz HVZDNAOJMITBMJ-WCVJEAGWSA-N 2 2 370.335 2.301 20 30 FEEDLP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487122 684291390 /nfs/dbraw/zinc/29/13/90/684291390.db2.gz RUQBSTDZZYMIJM-UHFFFAOYSA-N 2 2 363.527 2.292 20 30 FEEDLP C=CC[NH+](CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796815 540228186 /nfs/dbraw/zinc/22/81/86/540228186.db2.gz XTAYVHDEIMYQBS-HXUWFJFHSA-N 2 2 359.514 2.148 20 30 FEEDLP C=CC[NH+](CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796815 540228188 /nfs/dbraw/zinc/22/81/88/540228188.db2.gz XTAYVHDEIMYQBS-HXUWFJFHSA-N 2 2 359.514 2.148 20 30 FEEDLP C=CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796815 540228191 /nfs/dbraw/zinc/22/81/91/540228191.db2.gz XTAYVHDEIMYQBS-HXUWFJFHSA-N 2 2 359.514 2.148 20 30 FEEDLP C=CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796815 540228194 /nfs/dbraw/zinc/22/81/94/540228194.db2.gz XTAYVHDEIMYQBS-HXUWFJFHSA-N 2 2 359.514 2.148 20 30 FEEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047028743 540285570 /nfs/dbraw/zinc/28/55/70/540285570.db2.gz KHXMSDZUKSCAEJ-QGZVFWFLSA-N 2 2 366.469 2.061 20 30 FEEDLP C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047028743 540285571 /nfs/dbraw/zinc/28/55/71/540285571.db2.gz KHXMSDZUKSCAEJ-QGZVFWFLSA-N 2 2 366.469 2.061 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3cccc(C#N)c3)CC2)CC1 ZINC000050798656 540414461 /nfs/dbraw/zinc/41/44/61/540414461.db2.gz QSLHNJQDMKCFPH-AATRIKPKSA-N 2 2 352.482 2.246 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000057127143 540770668 /nfs/dbraw/zinc/77/06/68/540770668.db2.gz UFHDJSRFHLNQDR-RMKNXTFCSA-N 2 2 351.494 2.189 20 30 FEEDLP NC(=[NH+]OCC(=O)NCc1ccco1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000068877304 541636521 /nfs/dbraw/zinc/63/65/21/541636521.db2.gz VSKBMNTYGWZMCT-UHFFFAOYSA-N 2 2 370.453 2.219 20 30 FEEDLP C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127777276 544013312 /nfs/dbraw/zinc/01/33/12/544013312.db2.gz UEFLGKSSYRJJKX-DLBZAZTESA-N 2 2 365.543 2.313 20 30 FEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000130572301 544156459 /nfs/dbraw/zinc/15/64/59/544156459.db2.gz DEILIYILGFNRTE-LJQANCHMSA-N 2 2 363.465 2.052 20 30 FEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000130572301 544156461 /nfs/dbraw/zinc/15/64/61/544156461.db2.gz DEILIYILGFNRTE-LJQANCHMSA-N 2 2 363.465 2.052 20 30 FEEDLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000264769140 329058568 /nfs/dbraw/zinc/05/85/68/329058568.db2.gz QPAHRZBHMQMUBI-OAQYLSRUSA-N 2 2 364.493 2.473 20 30 FEEDLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000264769140 329058569 /nfs/dbraw/zinc/05/85/69/329058569.db2.gz QPAHRZBHMQMUBI-OAQYLSRUSA-N 2 2 364.493 2.473 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cccc(C(N)=O)c3)CC2)cc1 ZINC000181930818 547407185 /nfs/dbraw/zinc/40/71/85/547407185.db2.gz MPGYIQSTELPDMM-UHFFFAOYSA-N 2 2 362.477 2.454 20 30 FEEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)N1CC[C@H](COC)C1 ZINC000262450087 549820352 /nfs/dbraw/zinc/82/03/52/549820352.db2.gz JPKKJZQXHPQMQK-CABCVRRESA-N 2 2 350.532 2.038 20 30 FEEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)N1CC[C@H](COC)C1 ZINC000262450087 549820355 /nfs/dbraw/zinc/82/03/55/549820355.db2.gz JPKKJZQXHPQMQK-CABCVRRESA-N 2 2 350.532 2.038 20 30 FEEDLP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000264118438 549981263 /nfs/dbraw/zinc/98/12/63/549981263.db2.gz QLUXDAAARHZSJN-IBGZPJMESA-N 2 2 354.454 2.323 20 30 FEEDLP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000264118438 549981266 /nfs/dbraw/zinc/98/12/66/549981266.db2.gz QLUXDAAARHZSJN-IBGZPJMESA-N 2 2 354.454 2.323 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280613793 551013497 /nfs/dbraw/zinc/01/34/97/551013497.db2.gz XVTIOAUXHRBCFN-YSIASYRMSA-N 2 2 354.498 2.058 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280613793 551013499 /nfs/dbraw/zinc/01/34/99/551013499.db2.gz XVTIOAUXHRBCFN-YSIASYRMSA-N 2 2 354.498 2.058 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280613793 551013501 /nfs/dbraw/zinc/01/35/01/551013501.db2.gz XVTIOAUXHRBCFN-YSIASYRMSA-N 2 2 354.498 2.058 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280613793 551013503 /nfs/dbraw/zinc/01/35/03/551013503.db2.gz XVTIOAUXHRBCFN-YSIASYRMSA-N 2 2 354.498 2.058 20 30 FEEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(OCC#N)cc2)CC1 ZINC000285532665 551771136 /nfs/dbraw/zinc/77/11/36/551771136.db2.gz PXOIWXJUDLTKKU-UHFFFAOYSA-N 2 2 361.486 2.148 20 30 FEEDLP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000289725011 552368345 /nfs/dbraw/zinc/36/83/45/552368345.db2.gz LLANVACNGIFGOT-LJQANCHMSA-N 2 2 363.527 2.342 20 30 FEEDLP CCN1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329948299 554037380 /nfs/dbraw/zinc/03/73/80/554037380.db2.gz YWWAQRVCAPKCHT-MRXNPFEDSA-N 2 2 362.522 2.267 20 30 FEEDLP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C2 ZINC000330122488 554068384 /nfs/dbraw/zinc/06/83/84/554068384.db2.gz BWHZNMVGLYBFJR-GOSISDBHSA-N 2 2 365.547 2.253 20 30 FEEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c(C#N)c1C ZINC000368418866 556303667 /nfs/dbraw/zinc/30/36/67/556303667.db2.gz YZEQOJNHAWPSOL-MZMPZRCHSA-N 2 2 374.485 2.186 20 30 FEEDLP Cc1oc(NC(=O)C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c(C#N)c1C ZINC000368418866 556303672 /nfs/dbraw/zinc/30/36/72/556303672.db2.gz YZEQOJNHAWPSOL-MZMPZRCHSA-N 2 2 374.485 2.186 20 30 FEEDLP C=C(C)[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)OCC ZINC000371063434 557062633 /nfs/dbraw/zinc/06/26/33/557062633.db2.gz OUURDSFGQLJFFD-GOSISDBHSA-N 2 2 351.535 2.424 20 30 FEEDLP C[NH+](C)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000519814469 562144948 /nfs/dbraw/zinc/14/49/48/562144948.db2.gz ONZDZWAZXDDAME-QGZVFWFLSA-N 2 2 351.516 2.288 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377766671 558415824 /nfs/dbraw/zinc/41/58/24/558415824.db2.gz LEKQGMLWXYUITK-PMACEKPBSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377766671 558415827 /nfs/dbraw/zinc/41/58/27/558415827.db2.gz LEKQGMLWXYUITK-PMACEKPBSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377766671 558415830 /nfs/dbraw/zinc/41/58/30/558415830.db2.gz LEKQGMLWXYUITK-PMACEKPBSA-N 2 2 354.498 2.202 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377766671 558415834 /nfs/dbraw/zinc/41/58/34/558415834.db2.gz LEKQGMLWXYUITK-PMACEKPBSA-N 2 2 354.498 2.202 20 30 FEEDLP C=CCNC(=O)CN1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411126463 558841385 /nfs/dbraw/zinc/84/13/85/558841385.db2.gz OVLXOWOHJKWCCV-UHFFFAOYSA-N 2 2 370.541 2.092 20 30 FEEDLP C=CCNC(=O)C[NH+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411126463 558841386 /nfs/dbraw/zinc/84/13/86/558841386.db2.gz OVLXOWOHJKWCCV-UHFFFAOYSA-N 2 2 370.541 2.092 20 30 FEEDLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424178545 559656835 /nfs/dbraw/zinc/65/68/35/559656835.db2.gz WWCQRODFOROPDD-WMZOPIPTSA-N 2 2 358.486 2.139 20 30 FEEDLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424178545 559656836 /nfs/dbraw/zinc/65/68/36/559656836.db2.gz WWCQRODFOROPDD-WMZOPIPTSA-N 2 2 358.486 2.139 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441025187 560022076 /nfs/dbraw/zinc/02/20/76/560022076.db2.gz IBPXVSAJOWTHES-LJQANCHMSA-N 2 2 364.578 2.290 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269893 560027649 /nfs/dbraw/zinc/02/76/49/560027649.db2.gz SQBWBTIWZGGXFZ-SQNIBIBYSA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441269893 560027650 /nfs/dbraw/zinc/02/76/50/560027650.db2.gz SQBWBTIWZGGXFZ-SQNIBIBYSA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+]=C(NCc1ccsc1)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000085202489 670679240 /nfs/dbraw/zinc/67/92/40/670679240.db2.gz RLDNSMCHBGIPFX-UHFFFAOYSA-N 3 2 363.575 2.363 20 30 FEEDLP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000161542006 672297726 /nfs/dbraw/zinc/29/77/26/672297726.db2.gz AUBKHNILLVLTGJ-UHFFFAOYSA-N 2 2 358.511 2.262 20 30 FEEDLP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000161542006 672297728 /nfs/dbraw/zinc/29/77/28/672297728.db2.gz AUBKHNILLVLTGJ-UHFFFAOYSA-N 2 2 358.511 2.262 20 30 FEEDLP [NH2+]=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N1CCOCC1 ZINC000262551906 672917946 /nfs/dbraw/zinc/91/79/46/672917946.db2.gz YQLJICQBPWJLPK-KRWDZBQOSA-N 2 2 350.894 2.341 20 30 FEEDLP [NH2+]=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N1CCOCC1 ZINC000262551906 672917950 /nfs/dbraw/zinc/91/79/50/672917950.db2.gz YQLJICQBPWJLPK-KRWDZBQOSA-N 2 2 350.894 2.341 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276550 683563521 /nfs/dbraw/zinc/56/35/21/683563521.db2.gz UCLKZWOFXHNNIJ-DOTOQJQBSA-N 2 2 353.507 2.251 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3ccccc3C#N)CC2)CC1 ZINC000050799882 540414443 /nfs/dbraw/zinc/41/44/43/540414443.db2.gz NJNDQJKUMPIANI-VOTSOKGWSA-N 2 2 352.482 2.246 20 30 FEEDLP CN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051758653 540442665 /nfs/dbraw/zinc/44/26/65/540442665.db2.gz RNAFRHFYLLEDBB-UHFFFAOYSA-N 2 2 369.513 2.258 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000066561494 541336778 /nfs/dbraw/zinc/33/67/78/541336778.db2.gz SVQZLRYWLZQTCM-MRXNPFEDSA-N 2 2 356.470 2.072 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3cccc(C#N)c3)CC2)CCO1 ZINC000066561494 541336785 /nfs/dbraw/zinc/33/67/85/541336785.db2.gz SVQZLRYWLZQTCM-MRXNPFEDSA-N 2 2 356.470 2.072 20 30 FEEDLP C#CCOc1ccccc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000066877054 541385036 /nfs/dbraw/zinc/38/50/36/541385036.db2.gz XNFJDLPWUWKDJZ-UHFFFAOYSA-N 2 2 350.466 2.135 20 30 FEEDLP Cc1nc(NCc2cccc(C(=O)NC3(C#N)CC[NH+](C)CC3)c2)cc[nH+]1 ZINC000543520815 541603320 /nfs/dbraw/zinc/60/33/20/541603320.db2.gz GSJJZINMEFEHQK-UHFFFAOYSA-N 2 2 364.453 2.115 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSc3ccc(C#N)cc3)CC2)CC1 ZINC000103077359 543091288 /nfs/dbraw/zinc/09/12/88/543091288.db2.gz DVEZMHNNVGXJTP-UHFFFAOYSA-N 2 2 372.538 2.325 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000108929958 543308386 /nfs/dbraw/zinc/30/83/86/543308386.db2.gz AVCDJLSXVZIYPX-UHFFFAOYSA-N 2 2 359.901 2.329 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123810609 543784170 /nfs/dbraw/zinc/78/41/70/543784170.db2.gz GKKIFKIAGQWFQX-DLBZAZTESA-N 2 2 357.502 2.406 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123810609 543784173 /nfs/dbraw/zinc/78/41/73/543784173.db2.gz GKKIFKIAGQWFQX-DLBZAZTESA-N 2 2 357.502 2.406 20 30 FEEDLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135188430 544337535 /nfs/dbraw/zinc/33/75/35/544337535.db2.gz NQISFHUHFGJAGD-UHFFFAOYSA-N 2 2 356.514 2.474 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153941432 544843538 /nfs/dbraw/zinc/84/35/38/544843538.db2.gz UFNSOOSUZJGPDT-HSALFYBXSA-N 2 2 364.578 2.290 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153941432 544843539 /nfs/dbraw/zinc/84/35/39/544843539.db2.gz UFNSOOSUZJGPDT-HSALFYBXSA-N 2 2 364.578 2.290 20 30 FEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N(C)Cc1cc(Cl)cn1C ZINC000158776182 545893383 /nfs/dbraw/zinc/89/33/83/545893383.db2.gz YUANYXDODXHLOO-UHFFFAOYSA-N 2 2 371.876 2.467 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C(CC)CC)[NH+]2CCOCC2)CC1 ZINC000173579632 546283525 /nfs/dbraw/zinc/28/35/25/546283525.db2.gz INKZJZZOSVRRKT-LJQANCHMSA-N 2 2 351.535 2.280 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000176505535 546455378 /nfs/dbraw/zinc/45/53/78/546455378.db2.gz OTZBDIZMAXTPNB-UHFFFAOYSA-N 2 2 360.506 2.262 20 30 FEEDLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(C#N)cc1 ZINC000180134327 547056626 /nfs/dbraw/zinc/05/66/26/547056626.db2.gz ZHRSIIAEXUKEAN-QGZVFWFLSA-N 2 2 363.465 2.343 20 30 FEEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000246008906 549035841 /nfs/dbraw/zinc/03/58/41/549035841.db2.gz KOFNPDXQITWDRX-PMACEKPBSA-N 2 2 358.530 2.243 20 30 FEEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000246008906 549035844 /nfs/dbraw/zinc/03/58/44/549035844.db2.gz KOFNPDXQITWDRX-PMACEKPBSA-N 2 2 358.530 2.243 20 30 FEEDLP Cc1ccc(CNC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000267009266 550026393 /nfs/dbraw/zinc/02/63/93/550026393.db2.gz LTOYDOGZUBTBJY-UHFFFAOYSA-N 2 2 354.454 2.010 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000269699954 550218386 /nfs/dbraw/zinc/21/83/86/550218386.db2.gz YCEJWVUBSYBOTQ-ICSRJNTNSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000269699954 550218388 /nfs/dbraw/zinc/21/83/88/550218388.db2.gz YCEJWVUBSYBOTQ-ICSRJNTNSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000269699954 550218391 /nfs/dbraw/zinc/21/83/91/550218391.db2.gz YCEJWVUBSYBOTQ-ICSRJNTNSA-N 2 2 352.482 2.123 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000269699954 550218392 /nfs/dbraw/zinc/21/83/92/550218392.db2.gz YCEJWVUBSYBOTQ-ICSRJNTNSA-N 2 2 352.482 2.123 20 30 FEEDLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619717 550461128 /nfs/dbraw/zinc/46/11/28/550461128.db2.gz UORPPRUWURCOJX-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)(C#N)CC1 ZINC000272619717 550461130 /nfs/dbraw/zinc/46/11/30/550461130.db2.gz UORPPRUWURCOJX-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP CC(C)(C#N)CCCC[NH+]1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC000277746831 550709382 /nfs/dbraw/zinc/70/93/82/550709382.db2.gz PGXOHQGBYJXPGD-UHFFFAOYSA-N 2 2 372.517 2.155 20 30 FEEDLP NC(=[NH+]OCc1cncc(F)c1)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000280933001 551046841 /nfs/dbraw/zinc/04/68/41/551046841.db2.gz IGGDFLMACUWJFG-UHFFFAOYSA-N 2 2 358.417 2.015 20 30 FEEDLP C=CCN1CC[C@H](O[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000283581671 551391609 /nfs/dbraw/zinc/39/16/09/551391609.db2.gz RFIPSPCFGLKMJD-SFHVURJKSA-N 2 2 356.470 2.096 20 30 FEEDLP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000295020304 552952157 /nfs/dbraw/zinc/95/21/57/552952157.db2.gz NQBGZJDKKVGCSH-ZDUSSCGKSA-N 2 2 374.453 2.297 20 30 FEEDLP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000295020301 552952144 /nfs/dbraw/zinc/95/21/44/552952144.db2.gz NQBGZJDKKVGCSH-CYBMUJFWSA-N 2 2 374.453 2.297 20 30 FEEDLP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000295020301 552952146 /nfs/dbraw/zinc/95/21/46/552952146.db2.gz NQBGZJDKKVGCSH-CYBMUJFWSA-N 2 2 374.453 2.297 20 30 FEEDLP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000295020304 552952156 /nfs/dbraw/zinc/95/21/56/552952156.db2.gz NQBGZJDKKVGCSH-ZDUSSCGKSA-N 2 2 374.453 2.297 20 30 FEEDLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861678 553834266 /nfs/dbraw/zinc/83/42/66/553834266.db2.gz LWDBOKZVZQOIFO-LJQANCHMSA-N 2 2 374.441 2.335 20 30 FEEDLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861678 553834269 /nfs/dbraw/zinc/83/42/69/553834269.db2.gz LWDBOKZVZQOIFO-LJQANCHMSA-N 2 2 374.441 2.335 20 30 FEEDLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861678 553834272 /nfs/dbraw/zinc/83/42/72/553834272.db2.gz LWDBOKZVZQOIFO-LJQANCHMSA-N 2 2 374.441 2.335 20 30 FEEDLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000328861678 553834274 /nfs/dbraw/zinc/83/42/74/553834274.db2.gz LWDBOKZVZQOIFO-LJQANCHMSA-N 2 2 374.441 2.335 20 30 FEEDLP CC[C@@H]1CO[C@H](C)C[N@@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329133531 553886538 /nfs/dbraw/zinc/88/65/38/553886538.db2.gz ZCVKFXSFKBVWKW-QZTJIDSGSA-N 2 2 367.534 2.477 20 30 FEEDLP CC[C@@H]1CO[C@H](C)C[N@H+]1CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000329133531 553886539 /nfs/dbraw/zinc/88/65/39/553886539.db2.gz ZCVKFXSFKBVWKW-QZTJIDSGSA-N 2 2 367.534 2.477 20 30 FEEDLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 ZINC000511954814 561886817 /nfs/dbraw/zinc/88/68/17/561886817.db2.gz MDXMSFNUGSNOCI-KRWDZBQOSA-N 2 2 369.494 2.362 20 30 FEEDLP CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364154503 555259516 /nfs/dbraw/zinc/25/95/16/555259516.db2.gz FHVWRTJUGLDRRN-HXUWFJFHSA-N 2 2 366.509 2.217 20 30 FEEDLP CN(C(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000364154503 555259517 /nfs/dbraw/zinc/25/95/17/555259517.db2.gz FHVWRTJUGLDRRN-HXUWFJFHSA-N 2 2 366.509 2.217 20 30 FEEDLP C=C(C)C[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cnn(C(C)C)c1 ZINC000512557897 561909044 /nfs/dbraw/zinc/90/90/44/561909044.db2.gz ZWXRVGGIUQJTHB-UHFFFAOYSA-N 2 2 361.534 2.443 20 30 FEEDLP C=C(C)C[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cnn(C(C)C)c1 ZINC000512557897 561909045 /nfs/dbraw/zinc/90/90/45/561909045.db2.gz ZWXRVGGIUQJTHB-UHFFFAOYSA-N 2 2 361.534 2.443 20 30 FEEDLP C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367929877 556174990 /nfs/dbraw/zinc/17/49/90/556174990.db2.gz JGFZIHIZGQZEAN-QGZVFWFLSA-N 2 2 360.502 2.188 20 30 FEEDLP C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367929877 556174991 /nfs/dbraw/zinc/17/49/91/556174991.db2.gz JGFZIHIZGQZEAN-QGZVFWFLSA-N 2 2 360.502 2.188 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368243851 556257458 /nfs/dbraw/zinc/25/74/58/556257458.db2.gz QTLXUAXIPXZROV-URVUXULASA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368243851 556257460 /nfs/dbraw/zinc/25/74/60/556257460.db2.gz QTLXUAXIPXZROV-URVUXULASA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368243851 556257464 /nfs/dbraw/zinc/25/74/64/556257464.db2.gz QTLXUAXIPXZROV-URVUXULASA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368243851 556257466 /nfs/dbraw/zinc/25/74/66/556257466.db2.gz QTLXUAXIPXZROV-URVUXULASA-N 2 2 368.525 2.495 20 30 FEEDLP C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000368618053 556364341 /nfs/dbraw/zinc/36/43/41/556364341.db2.gz ISBQBQMEHKIKDA-GOSISDBHSA-N 2 2 372.513 2.219 20 30 FEEDLP C=CCOc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000368618053 556364346 /nfs/dbraw/zinc/36/43/46/556364346.db2.gz ISBQBQMEHKIKDA-GOSISDBHSA-N 2 2 372.513 2.219 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N[C@@H](c2[nH+]ccn2C)c2ccccc2)CC1 ZINC000519294905 562128751 /nfs/dbraw/zinc/12/87/51/562128751.db2.gz SOZVWEPIYRLOGZ-GOSISDBHSA-N 2 2 353.470 2.459 20 30 FEEDLP C=CCN(C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372471362 557479403 /nfs/dbraw/zinc/47/94/03/557479403.db2.gz IEONAQPKNUKBPM-GOSISDBHSA-N 2 2 353.470 2.392 20 30 FEEDLP C=CCN(C(=O)NCc1[nH+]ccn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372471362 557479405 /nfs/dbraw/zinc/47/94/05/557479405.db2.gz IEONAQPKNUKBPM-GOSISDBHSA-N 2 2 353.470 2.392 20 30 FEEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000373369286 557680777 /nfs/dbraw/zinc/68/07/77/557680777.db2.gz MWZJBJHXRQDIBC-LMWLFIIJSA-N 2 2 361.530 2.127 20 30 FEEDLP C=C(C)[C@H]1OCCC[C@H]1C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000373369286 557680778 /nfs/dbraw/zinc/68/07/78/557680778.db2.gz MWZJBJHXRQDIBC-LMWLFIIJSA-N 2 2 361.530 2.127 20 30 FEEDLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1Cl ZINC000375246971 557998017 /nfs/dbraw/zinc/99/80/17/557998017.db2.gz BBLWHYXYCUWQDU-CXAGYDPISA-N 2 2 361.808 2.194 20 30 FEEDLP Cn1cc(N2CC[C@@H]([NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)C2)cn1 ZINC000376177172 558137416 /nfs/dbraw/zinc/13/74/16/558137416.db2.gz FUXPGYRBPHIJBN-HXUWFJFHSA-N 2 2 364.497 2.125 20 30 FEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000389825716 558609952 /nfs/dbraw/zinc/60/99/52/558609952.db2.gz QHDYRZRWWCRYMP-DUXKGJEZSA-N 2 2 365.477 2.408 20 30 FEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000389825716 558609955 /nfs/dbraw/zinc/60/99/55/558609955.db2.gz QHDYRZRWWCRYMP-DUXKGJEZSA-N 2 2 365.477 2.408 20 30 FEEDLP C=C[C@](C)(CCOC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015691 559560861 /nfs/dbraw/zinc/56/08/61/559560861.db2.gz HKDFVGWYYAMRCG-HXUWFJFHSA-N 2 2 351.535 2.234 20 30 FEEDLP C=C[C@](C)(CCOC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015691 559560862 /nfs/dbraw/zinc/56/08/62/559560862.db2.gz HKDFVGWYYAMRCG-HXUWFJFHSA-N 2 2 351.535 2.234 20 30 FEEDLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C#N)cc3OC(F)F)C2)CC1 ZINC000439532153 559996530 /nfs/dbraw/zinc/99/65/30/559996530.db2.gz SCYGRFWLVUBVLW-QGZVFWFLSA-N 2 2 364.440 2.371 20 30 FEEDLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3OC(F)F)C2)CC1 ZINC000439532153 559996531 /nfs/dbraw/zinc/99/65/31/559996531.db2.gz SCYGRFWLVUBVLW-QGZVFWFLSA-N 2 2 364.440 2.371 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026986 560283086 /nfs/dbraw/zinc/28/30/86/560283086.db2.gz MCDGWSMRSFJSOE-IRXDYDNUSA-N 2 2 360.502 2.414 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](Oc2ccc[nH+]c2N(C)C)C1 ZINC000451026986 560283087 /nfs/dbraw/zinc/28/30/87/560283087.db2.gz MCDGWSMRSFJSOE-IRXDYDNUSA-N 2 2 360.502 2.414 20 30 FEEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000459400102 560684412 /nfs/dbraw/zinc/68/44/12/560684412.db2.gz ZJKNYVZMWSAVFG-UHFFFAOYSA-N 2 2 371.485 2.457 20 30 FEEDLP CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000603429568 568096844 /nfs/dbraw/zinc/09/68/44/568096844.db2.gz YEDWVJLABUROPY-NRFANRHFSA-N 2 2 370.541 2.374 20 30 FEEDLP C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247061070 672846148 /nfs/dbraw/zinc/84/61/48/672846148.db2.gz VLXCFMZWNWFRBX-ZWKOTPCHSA-N 2 2 357.564 2.161 20 30 FEEDLP C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247061070 672846150 /nfs/dbraw/zinc/84/61/50/672846150.db2.gz VLXCFMZWNWFRBX-ZWKOTPCHSA-N 2 2 357.564 2.161 20 30 FEEDLP C[NH+]=C(NCC1CCSCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000262386629 672914672 /nfs/dbraw/zinc/91/46/72/672914672.db2.gz DXFCHWOGGLEHNL-UHFFFAOYSA-N 2 2 368.591 2.330 20 30 FEEDLP C#C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1F ZINC000820755628 675385574 /nfs/dbraw/zinc/38/55/74/675385574.db2.gz NBQWBXQNCMEGAB-QGZVFWFLSA-N 2 2 368.884 2.336 20 30 FEEDLP C#C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1F ZINC000820755628 675385575 /nfs/dbraw/zinc/38/55/75/675385575.db2.gz NBQWBXQNCMEGAB-QGZVFWFLSA-N 2 2 368.884 2.336 20 30 FEEDLP C=C(Br)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001000694642 680437261 /nfs/dbraw/zinc/43/72/61/680437261.db2.gz FPSLONCFWBTNQY-JKSUJKDBSA-N 2 2 370.335 2.374 20 30 FEEDLP C=C(Br)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001000694642 680437264 /nfs/dbraw/zinc/43/72/64/680437264.db2.gz FPSLONCFWBTNQY-JKSUJKDBSA-N 2 2 370.335 2.374 20 30 FEEDLP C=C(Br)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000694642 680437268 /nfs/dbraw/zinc/43/72/68/680437268.db2.gz FPSLONCFWBTNQY-JKSUJKDBSA-N 2 2 370.335 2.374 20 30 FEEDLP C=C(Br)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001000694642 680437270 /nfs/dbraw/zinc/43/72/70/680437270.db2.gz FPSLONCFWBTNQY-JKSUJKDBSA-N 2 2 370.335 2.374 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C[N@H+](C)CCO)c2)CC1 ZINC000773312623 681135679 /nfs/dbraw/zinc/13/56/79/681135679.db2.gz CFEXUPKNIRVSBC-UHFFFAOYSA-N 2 2 363.889 2.048 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)CC1 ZINC000773312623 681135681 /nfs/dbraw/zinc/13/56/81/681135681.db2.gz CFEXUPKNIRVSBC-UHFFFAOYSA-N 2 2 363.889 2.048 20 30 FEEDLP C#CC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000913896823 685488087 /nfs/dbraw/zinc/48/80/87/685488087.db2.gz JSLCVNUNLXDUHG-SFHVURJKSA-N 2 2 362.905 2.340 20 30 FEEDLP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@H]2C1 ZINC001164850138 720849425 /nfs/dbraw/zinc/84/94/25/720849425.db2.gz DMNDERRXXJBIEQ-ICSRJNTNSA-N 2 2 366.465 2.280 20 30 FEEDLP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]ccc4ccc(C#N)cc43)CC[C@H]2C1 ZINC001164850138 720849427 /nfs/dbraw/zinc/84/94/27/720849427.db2.gz DMNDERRXXJBIEQ-ICSRJNTNSA-N 2 2 366.465 2.280 20 30 FEEDLP C=CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274458 540403606 /nfs/dbraw/zinc/40/36/06/540403606.db2.gz JHAQHLULLADGDL-KRWDZBQOSA-N 2 2 365.543 2.209 20 30 FEEDLP C=CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274458 540403609 /nfs/dbraw/zinc/40/36/09/540403609.db2.gz JHAQHLULLADGDL-KRWDZBQOSA-N 2 2 365.543 2.209 20 30 FEEDLP C=CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274458 540403611 /nfs/dbraw/zinc/40/36/11/540403611.db2.gz JHAQHLULLADGDL-KRWDZBQOSA-N 2 2 365.543 2.209 20 30 FEEDLP C=CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1cccs1 ZINC000050274458 540403612 /nfs/dbraw/zinc/40/36/12/540403612.db2.gz JHAQHLULLADGDL-KRWDZBQOSA-N 2 2 365.543 2.209 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)CCO1 ZINC000067400140 541458220 /nfs/dbraw/zinc/45/82/20/541458220.db2.gz CTQUXSYFDLPUOT-MRXNPFEDSA-N 2 2 356.470 2.072 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)CCO1 ZINC000067400140 541458224 /nfs/dbraw/zinc/45/82/24/541458224.db2.gz CTQUXSYFDLPUOT-MRXNPFEDSA-N 2 2 356.470 2.072 20 30 FEEDLP CN(C(=O)CSCC#N)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124778083 543842409 /nfs/dbraw/zinc/84/24/09/543842409.db2.gz OOSKEMYMULGFSV-SJORKVTESA-N 2 2 352.548 2.039 20 30 FEEDLP CN(C(=O)CSCC#N)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124778083 543842415 /nfs/dbraw/zinc/84/24/15/543842415.db2.gz OOSKEMYMULGFSV-SJORKVTESA-N 2 2 352.548 2.039 20 30 FEEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000124867093 543847680 /nfs/dbraw/zinc/84/76/80/543847680.db2.gz KOFNPDXQITWDRX-WOJBJXKFSA-N 2 2 358.530 2.243 20 30 FEEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000124867093 543847683 /nfs/dbraw/zinc/84/76/83/543847683.db2.gz KOFNPDXQITWDRX-WOJBJXKFSA-N 2 2 358.530 2.243 20 30 FEEDLP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186577390 327969069 /nfs/dbraw/zinc/96/90/69/327969069.db2.gz SPQVLDGWZINKNQ-IBGZPJMESA-N 3 2 369.557 2.138 20 30 FEEDLP CN(C(=O)c1ccnc(C#N)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000193679196 328389269 /nfs/dbraw/zinc/38/92/69/328389269.db2.gz PHNZJKQEKNBZPK-UXHICEINSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccnc(C#N)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000193679196 328389271 /nfs/dbraw/zinc/38/92/71/328389271.db2.gz PHNZJKQEKNBZPK-UXHICEINSA-N 2 2 369.513 2.362 20 30 FEEDLP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000170780154 327098637 /nfs/dbraw/zinc/09/86/37/327098637.db2.gz AVLWJPBVRRTTBF-IRXDYDNUSA-N 2 2 370.497 2.318 20 30 FEEDLP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180200660 547066695 /nfs/dbraw/zinc/06/66/95/547066695.db2.gz HUFARIWXRRQARN-GOSISDBHSA-N 2 2 365.481 2.113 20 30 FEEDLP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180200660 547066699 /nfs/dbraw/zinc/06/66/99/547066699.db2.gz HUFARIWXRRQARN-GOSISDBHSA-N 2 2 365.481 2.113 20 30 FEEDLP CC1(C)COCCN1CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181679123 547359130 /nfs/dbraw/zinc/35/91/30/547359130.db2.gz CZMSSOOYOFOUSK-UHFFFAOYSA-N 2 2 356.514 2.223 20 30 FEEDLP N#Cc1ccc(N2CCC[C@H]([N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000182805697 547554756 /nfs/dbraw/zinc/55/47/56/547554756.db2.gz UXGSFROGCODYRI-QUCCMNQESA-N 2 2 352.482 2.471 20 30 FEEDLP N#Cc1ccc(N2CCC[C@H]([N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000182805697 547554761 /nfs/dbraw/zinc/55/47/61/547554761.db2.gz UXGSFROGCODYRI-QUCCMNQESA-N 2 2 352.482 2.471 20 30 FEEDLP C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000246378576 549118957 /nfs/dbraw/zinc/11/89/57/549118957.db2.gz JVHOGWZKQKQFCC-KSZLIROESA-N 2 2 359.518 2.472 20 30 FEEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)N1CC[C@@H](COC)C1 ZINC000262450089 549820583 /nfs/dbraw/zinc/82/05/83/549820583.db2.gz JPKKJZQXHPQMQK-HUUCEWRRSA-N 2 2 350.532 2.038 20 30 FEEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)N1CC[C@@H](COC)C1 ZINC000262450089 549820585 /nfs/dbraw/zinc/82/05/85/549820585.db2.gz JPKKJZQXHPQMQK-HUUCEWRRSA-N 2 2 350.532 2.038 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000264367304 549994531 /nfs/dbraw/zinc/99/45/31/549994531.db2.gz QDWXSYONLHBZEG-UHFFFAOYSA-N 2 2 367.497 2.036 20 30 FEEDLP C[C@H](NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000266991177 550026638 /nfs/dbraw/zinc/02/66/38/550026638.db2.gz BAOUXUCRQVBCQV-HNNXBMFYSA-N 2 2 354.454 2.263 20 30 FEEDLP CN(Cc1ccccc1F)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266994955 550026699 /nfs/dbraw/zinc/02/66/99/550026699.db2.gz DHRFWBDFSVTNBO-UHFFFAOYSA-N 2 2 372.444 2.183 20 30 FEEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)n1C ZINC000269621689 550211465 /nfs/dbraw/zinc/21/14/65/550211465.db2.gz NGYDDOOZAFDCMN-UHFFFAOYSA-N 2 2 356.352 2.312 20 30 FEEDLP Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCCn3cc[nH+]c3C)cn2)n1 ZINC000270751640 550303399 /nfs/dbraw/zinc/30/33/99/550303399.db2.gz JZZCVXMLCNTXFW-UHFFFAOYSA-N 2 2 353.430 2.116 20 30 FEEDLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(C)(C#N)CC3)CC2)c1 ZINC000272649273 550462902 /nfs/dbraw/zinc/46/29/02/550462902.db2.gz ZADDZIVZGWDSSB-UHFFFAOYSA-N 2 2 354.498 2.265 20 30 FEEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(=O)n1C ZINC000279398861 550885644 /nfs/dbraw/zinc/88/56/44/550885644.db2.gz CSPNHEJTTTYRHN-UHFFFAOYSA-N 2 2 350.466 2.320 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679849 551794352 /nfs/dbraw/zinc/79/43/52/551794352.db2.gz USZLFHIACLNYHB-VXKWHMMOSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679849 551794354 /nfs/dbraw/zinc/79/43/54/551794354.db2.gz USZLFHIACLNYHB-VXKWHMMOSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679849 551794355 /nfs/dbraw/zinc/79/43/55/551794355.db2.gz USZLFHIACLNYHB-VXKWHMMOSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679849 551794357 /nfs/dbraw/zinc/79/43/57/551794357.db2.gz USZLFHIACLNYHB-VXKWHMMOSA-N 2 2 366.509 2.393 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000287493360 552011333 /nfs/dbraw/zinc/01/13/33/552011333.db2.gz NLISBHUBMJEXKD-UHFFFAOYSA-N 2 2 360.477 2.117 20 30 FEEDLP C#CCCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000294633962 552922337 /nfs/dbraw/zinc/92/23/37/552922337.db2.gz GHHYLDHZKZLBGY-UHFFFAOYSA-N 2 2 369.509 2.377 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H](c1[nH+]ccn1C)c1ccc(Cl)cc1 ZINC000296863011 553222112 /nfs/dbraw/zinc/22/21/12/553222112.db2.gz KQEAJIJUWKWDGJ-KRWDZBQOSA-N 2 2 373.888 2.417 20 30 FEEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCc3ccc(Cn4cc[nH+]c4)cc3)[C@H]2C1 ZINC000329279621 553916237 /nfs/dbraw/zinc/91/62/37/553916237.db2.gz LTKDYSAFKHUAEH-MOPGFXCFSA-N 2 2 353.470 2.371 20 30 FEEDLP Cc1cc[nH+]cc1N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000329506059 553958833 /nfs/dbraw/zinc/95/88/33/553958833.db2.gz WTQHWYKHMYAFJB-UHFFFAOYSA-N 2 2 357.502 2.300 20 30 FEEDLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)CC2)s1 ZINC000329713981 553994160 /nfs/dbraw/zinc/99/41/60/553994160.db2.gz SHTYIPDVQMENDK-AWEZNQCLSA-N 2 2 363.531 2.134 20 30 FEEDLP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)CC2)s1 ZINC000329713981 553994164 /nfs/dbraw/zinc/99/41/64/553994164.db2.gz SHTYIPDVQMENDK-AWEZNQCLSA-N 2 2 363.531 2.134 20 30 FEEDLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000510936420 561851662 /nfs/dbraw/zinc/85/16/62/561851662.db2.gz PFUMOKLNCFJWML-SJLPKXTDSA-N 2 2 358.461 2.093 20 30 FEEDLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000510936420 561851664 /nfs/dbraw/zinc/85/16/64/561851664.db2.gz PFUMOKLNCFJWML-SJLPKXTDSA-N 2 2 358.461 2.093 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364913566 555435148 /nfs/dbraw/zinc/43/51/48/555435148.db2.gz GVDUKANILBOPNN-YJBOKZPZSA-N 2 2 362.543 2.452 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364913566 555435152 /nfs/dbraw/zinc/43/51/52/555435152.db2.gz GVDUKANILBOPNN-YJBOKZPZSA-N 2 2 362.543 2.452 20 30 FEEDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)ccc1C#N ZINC000366929027 555973854 /nfs/dbraw/zinc/97/38/54/555973854.db2.gz XZIZRESRAATVFH-PXNSSMCTSA-N 2 2 353.470 2.473 20 30 FEEDLP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)ccc1C#N ZINC000366929027 555973857 /nfs/dbraw/zinc/97/38/57/555973857.db2.gz XZIZRESRAATVFH-PXNSSMCTSA-N 2 2 353.470 2.473 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417263 556301954 /nfs/dbraw/zinc/30/19/54/556301954.db2.gz QMESTDBXNWCCAR-UKBAYJJMSA-N 2 2 370.497 2.364 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417263 556301956 /nfs/dbraw/zinc/30/19/56/556301956.db2.gz QMESTDBXNWCCAR-UKBAYJJMSA-N 2 2 370.497 2.364 20 30 FEEDLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(=O)NCc2cccc(C#N)c2)[nH+]1 ZINC000369900653 556725370 /nfs/dbraw/zinc/72/53/70/556725370.db2.gz PNOIOLYIZZPGKE-IBGZPJMESA-N 2 2 363.465 2.454 20 30 FEEDLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(=O)NCc2cccc(C#N)c2)[nH+]1 ZINC000369900653 556725373 /nfs/dbraw/zinc/72/53/73/556725373.db2.gz PNOIOLYIZZPGKE-IBGZPJMESA-N 2 2 363.465 2.454 20 30 FEEDLP C=CCOCCCC(=O)N(Cc1[nH+]ccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370160029 556798000 /nfs/dbraw/zinc/79/80/00/556798000.db2.gz HSMGQOUABZRRQZ-KRWDZBQOSA-N 2 2 360.502 2.357 20 30 FEEDLP C[NH+]1CCC(CNC(=O)N2CCC(C)(C#N)CC2)([NH+]2CCCCC2)CC1 ZINC000374761970 557927102 /nfs/dbraw/zinc/92/71/02/557927102.db2.gz BWLFRPHXKFSQGA-UHFFFAOYSA-N 2 2 361.534 2.272 20 30 FEEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000375739668 558075337 /nfs/dbraw/zinc/07/53/37/558075337.db2.gz BKXZWLPLGQMICC-FQEVSTJZSA-N 2 2 352.482 2.147 20 30 FEEDLP N#CC1(NC(=O)C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000375739668 558075339 /nfs/dbraw/zinc/07/53/39/558075339.db2.gz BKXZWLPLGQMICC-FQEVSTJZSA-N 2 2 352.482 2.147 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000375739668 558075340 /nfs/dbraw/zinc/07/53/40/558075340.db2.gz BKXZWLPLGQMICC-FQEVSTJZSA-N 2 2 352.482 2.147 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000375739668 558075342 /nfs/dbraw/zinc/07/53/42/558075342.db2.gz BKXZWLPLGQMICC-FQEVSTJZSA-N 2 2 352.482 2.147 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000377732536 558407567 /nfs/dbraw/zinc/40/75/67/558407567.db2.gz MMTQNEBRACUNLH-WOIUINJBSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000377732536 558407569 /nfs/dbraw/zinc/40/75/69/558407569.db2.gz MMTQNEBRACUNLH-WOIUINJBSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000377732536 558407571 /nfs/dbraw/zinc/40/75/71/558407571.db2.gz MMTQNEBRACUNLH-WOIUINJBSA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000377732536 558407573 /nfs/dbraw/zinc/40/75/73/558407573.db2.gz MMTQNEBRACUNLH-WOIUINJBSA-N 2 2 366.509 2.249 20 30 FEEDLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000523581075 562215475 /nfs/dbraw/zinc/21/54/75/562215475.db2.gz ICYHDZVCWXTJCZ-HXUWFJFHSA-N 2 2 369.513 2.260 20 30 FEEDLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000523581075 562215476 /nfs/dbraw/zinc/21/54/76/562215476.db2.gz ICYHDZVCWXTJCZ-HXUWFJFHSA-N 2 2 369.513 2.260 20 30 FEEDLP CN(C)c1[nH+]cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)n1C ZINC000414332750 559156880 /nfs/dbraw/zinc/15/68/80/559156880.db2.gz ACUPCILXHRRVKX-HNNXBMFYSA-N 2 2 356.449 2.255 20 30 FEEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414334817 559156915 /nfs/dbraw/zinc/15/69/15/559156915.db2.gz NRSWNATYQPOXSL-UHFFFAOYSA-N 2 2 357.907 2.118 20 30 FEEDLP C=CCCSc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000427106675 559748012 /nfs/dbraw/zinc/74/80/12/559748012.db2.gz FYSQNXHOYMHGPT-HNNXBMFYSA-N 2 2 353.536 2.291 20 30 FEEDLP C[C@H]1CC[N@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000528426410 562328856 /nfs/dbraw/zinc/32/88/56/562328856.db2.gz SZDYIQITPPDXQT-LPHOPBHVSA-N 2 2 362.433 2.066 20 30 FEEDLP C[C@H]1CC[N@@H+](CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000528426410 562328857 /nfs/dbraw/zinc/32/88/57/562328857.db2.gz SZDYIQITPPDXQT-LPHOPBHVSA-N 2 2 362.433 2.066 20 30 FEEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534359259 562532784 /nfs/dbraw/zinc/53/27/84/562532784.db2.gz HCBQSBPDICDUDK-OALUTQOASA-N 2 2 357.502 2.296 20 30 FEEDLP CN(C(=O)c1cc(C#N)c[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534359259 562532785 /nfs/dbraw/zinc/53/27/85/562532785.db2.gz HCBQSBPDICDUDK-OALUTQOASA-N 2 2 357.502 2.296 20 30 FEEDLP CCc1cnc(CNC(NC2CCN(c3cccc[nH+]3)CC2)=[NH+]C)s1 ZINC000130431760 672075419 /nfs/dbraw/zinc/07/54/19/672075419.db2.gz BQEKQFVJGOZTSI-UHFFFAOYSA-N 2 2 358.515 2.435 20 30 FEEDLP C#C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820552652 675369234 /nfs/dbraw/zinc/36/92/34/675369234.db2.gz KVPUGKRXGLQHJP-KRWDZBQOSA-N 2 2 350.894 2.197 20 30 FEEDLP C#C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000820552652 675369245 /nfs/dbraw/zinc/36/92/45/675369245.db2.gz KVPUGKRXGLQHJP-KRWDZBQOSA-N 2 2 350.894 2.197 20 30 FEEDLP C=C(Br)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001024447540 680290356 /nfs/dbraw/zinc/29/03/56/680290356.db2.gz XAIQUXBWWBWORW-RBSFLKMASA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001024447540 680290357 /nfs/dbraw/zinc/29/03/57/680290357.db2.gz XAIQUXBWWBWORW-RBSFLKMASA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447540 680290358 /nfs/dbraw/zinc/29/03/58/680290358.db2.gz XAIQUXBWWBWORW-RBSFLKMASA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001024447540 680290359 /nfs/dbraw/zinc/29/03/59/680290359.db2.gz XAIQUXBWWBWORW-RBSFLKMASA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000845601523 681140645 /nfs/dbraw/zinc/14/06/45/681140645.db2.gz QLSVQZJCLZZKTL-QZTJIDSGSA-N 2 2 352.523 2.473 20 30 FEEDLP C=C(C)CONC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845601523 681140646 /nfs/dbraw/zinc/14/06/46/681140646.db2.gz QLSVQZJCLZZKTL-QZTJIDSGSA-N 2 2 352.523 2.473 20 30 FEEDLP C[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852885884 682353414 /nfs/dbraw/zinc/35/34/14/682353414.db2.gz DNPJFJDQYDVEBI-IEBWSBKVSA-N 2 2 363.864 2.344 20 30 FEEDLP C[N@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852885884 682353418 /nfs/dbraw/zinc/35/34/18/682353418.db2.gz DNPJFJDQYDVEBI-IEBWSBKVSA-N 2 2 363.864 2.344 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000876712374 686250562 /nfs/dbraw/zinc/25/05/62/686250562.db2.gz PUENQXVTKWEUGD-MRXNPFEDSA-N 2 2 351.878 2.118 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)cc1 ZINC000047106078 540290715 /nfs/dbraw/zinc/29/07/15/540290715.db2.gz LXLTXSIMAPPNRE-VQTJNVASSA-N 2 2 367.497 2.012 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000047106078 540290718 /nfs/dbraw/zinc/29/07/18/540290718.db2.gz LXLTXSIMAPPNRE-VQTJNVASSA-N 2 2 367.497 2.012 20 30 FEEDLP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000054510218 540593784 /nfs/dbraw/zinc/59/37/84/540593784.db2.gz BYXNEQRZHPNKDO-HXUWFJFHSA-N 2 2 369.513 2.117 20 30 FEEDLP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000054510218 540593786 /nfs/dbraw/zinc/59/37/86/540593786.db2.gz BYXNEQRZHPNKDO-HXUWFJFHSA-N 2 2 369.513 2.117 20 30 FEEDLP C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000086283534 542734780 /nfs/dbraw/zinc/73/47/80/542734780.db2.gz JGGRLHMBLDKPQR-UHFFFAOYSA-N 2 2 373.501 2.218 20 30 FEEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000104326797 543128080 /nfs/dbraw/zinc/12/80/80/543128080.db2.gz FSPDDCUEEJFVJV-UHFFFAOYSA-N 2 2 370.413 2.088 20 30 FEEDLP C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1C ZINC000118835150 543660139 /nfs/dbraw/zinc/66/01/39/543660139.db2.gz DORNLSIFJXRLPM-IBGZPJMESA-N 2 2 358.530 2.185 20 30 FEEDLP C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1C ZINC000118835150 543660142 /nfs/dbraw/zinc/66/01/42/543660142.db2.gz DORNLSIFJXRLPM-IBGZPJMESA-N 2 2 358.530 2.185 20 30 FEEDLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000173644209 327273323 /nfs/dbraw/zinc/27/33/23/327273323.db2.gz PEVAYABZSJCHTC-ZDUSSCGKSA-N 2 2 364.877 2.239 20 30 FEEDLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3ccc(C#N)o3)CC2)cc1 ZINC000174248934 546293979 /nfs/dbraw/zinc/29/39/79/546293979.db2.gz QJBNOBMQSYOJOQ-UHFFFAOYSA-N 2 2 354.454 2.462 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000177313619 546592006 /nfs/dbraw/zinc/59/20/06/546592006.db2.gz BUPVEPWTYWBZNQ-HNNXBMFYSA-N 2 2 351.516 2.238 20 30 FEEDLP CC(=O)N1CCC(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181711401 547364885 /nfs/dbraw/zinc/36/48/85/547364885.db2.gz CLAFEGVMUJBPPD-UHFFFAOYSA-N 2 2 354.498 2.371 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245457114 548925855 /nfs/dbraw/zinc/92/58/55/548925855.db2.gz UDJDLDANYMAGSH-UYAOXDASSA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245457114 548925857 /nfs/dbraw/zinc/92/58/57/548925857.db2.gz UDJDLDANYMAGSH-UYAOXDASSA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245457114 548925859 /nfs/dbraw/zinc/92/58/59/548925859.db2.gz UDJDLDANYMAGSH-UYAOXDASSA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245457114 548925861 /nfs/dbraw/zinc/92/58/61/548925861.db2.gz UDJDLDANYMAGSH-UYAOXDASSA-N 2 2 356.514 2.448 20 30 FEEDLP CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262019206 549780610 /nfs/dbraw/zinc/78/06/10/549780610.db2.gz YKXNLEIFIGIBEE-SJLPKXTDSA-N 2 2 369.517 2.465 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282085738 551178697 /nfs/dbraw/zinc/17/86/97/551178697.db2.gz OJBBWGROCYZJDA-DLBZAZTESA-N 2 2 357.502 2.407 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282085738 551178698 /nfs/dbraw/zinc/17/86/98/551178698.db2.gz OJBBWGROCYZJDA-DLBZAZTESA-N 2 2 357.502 2.407 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)CC1 ZINC000282504849 551238502 /nfs/dbraw/zinc/23/85/02/551238502.db2.gz ZEEIEAQHYSJAQL-SFHVURJKSA-N 2 2 354.498 2.271 20 30 FEEDLP C=CCOc1ccc(CNC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000287661350 552031598 /nfs/dbraw/zinc/03/15/98/552031598.db2.gz IBVGTZOBAMAKJO-UHFFFAOYSA-N 2 2 360.502 2.077 20 30 FEEDLP C=CCOc1ccc(CC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000294879499 552940951 /nfs/dbraw/zinc/94/09/51/552940951.db2.gz DGMDTCWAHMCWLO-UHFFFAOYSA-N 2 2 359.514 2.278 20 30 FEEDLP C=CCOc1ccc(CC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000294879499 552940952 /nfs/dbraw/zinc/94/09/52/552940952.db2.gz DGMDTCWAHMCWLO-UHFFFAOYSA-N 2 2 359.514 2.278 20 30 FEEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)Nc1ccn2cc[nH+]c2c1)C(C)C ZINC000297705570 553327845 /nfs/dbraw/zinc/32/78/45/553327845.db2.gz BABJUJOQFYYXAF-QGZVFWFLSA-N 2 2 369.469 2.088 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1OCCCC#N ZINC000299670940 553600922 /nfs/dbraw/zinc/60/09/22/553600922.db2.gz YKYOXKXBCMRBQU-GOSISDBHSA-N 2 2 361.486 2.314 20 30 FEEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000328718267 553811615 /nfs/dbraw/zinc/81/16/15/553811615.db2.gz PSJULCMUBRTNOA-MRXNPFEDSA-N 2 2 352.523 2.149 20 30 FEEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000328718267 553811617 /nfs/dbraw/zinc/81/16/17/553811617.db2.gz PSJULCMUBRTNOA-MRXNPFEDSA-N 2 2 352.523 2.149 20 30 FEEDLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000329306299 553921961 /nfs/dbraw/zinc/92/19/61/553921961.db2.gz YPSADNRPLOMYLM-GOSISDBHSA-N 2 2 365.518 2.231 20 30 FEEDLP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000329306299 553921962 /nfs/dbraw/zinc/92/19/62/553921962.db2.gz YPSADNRPLOMYLM-GOSISDBHSA-N 2 2 365.518 2.231 20 30 FEEDLP Cc1nc(N2CCN(C(=O)NCC3([NH+](C)C)CCCCCC3)CC2)cc[nH+]1 ZINC000329500864 553958526 /nfs/dbraw/zinc/95/85/26/553958526.db2.gz HLYUZPAVABOVKI-UHFFFAOYSA-N 2 2 374.533 2.476 20 30 FEEDLP Cc1ncc(CNC(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000329638495 553980892 /nfs/dbraw/zinc/98/08/92/553980892.db2.gz ARFZBQNCDQDOFL-UHFFFAOYSA-N 2 2 365.547 2.405 20 30 FEEDLP CC[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000330269827 554096618 /nfs/dbraw/zinc/09/66/18/554096618.db2.gz SKWIEJZMNJVBLE-WBVHZDCISA-N 2 2 357.458 2.231 20 30 FEEDLP C#CCOc1ccccc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364339992 555294465 /nfs/dbraw/zinc/29/44/65/555294465.db2.gz FLXAUBQJJOUNSJ-KRWDZBQOSA-N 2 2 370.497 2.331 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364913564 555435308 /nfs/dbraw/zinc/43/53/08/555435308.db2.gz GVDUKANILBOPNN-MAUKXSAKSA-N 2 2 362.543 2.452 20 30 FEEDLP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364913564 555435312 /nfs/dbraw/zinc/43/53/12/555435312.db2.gz GVDUKANILBOPNN-MAUKXSAKSA-N 2 2 362.543 2.452 20 30 FEEDLP C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000513542572 561942299 /nfs/dbraw/zinc/94/22/99/561942299.db2.gz GBBUBYALXGSFQU-UHFFFAOYSA-N 2 2 367.497 2.352 20 30 FEEDLP C[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C1CC[NH+](CCO)CC1 ZINC000513542572 561942301 /nfs/dbraw/zinc/94/23/01/561942301.db2.gz GBBUBYALXGSFQU-UHFFFAOYSA-N 2 2 367.497 2.352 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CSCc3ccc(C#N)cc3)C2)CC1 ZINC000369277363 556561554 /nfs/dbraw/zinc/56/15/54/556561554.db2.gz LPNQBBKBXYFZHW-SFHVURJKSA-N 2 2 372.538 2.076 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CSCc3ccc(C#N)cc3)C2)CC1 ZINC000369277363 556561557 /nfs/dbraw/zinc/56/15/57/556561557.db2.gz LPNQBBKBXYFZHW-SFHVURJKSA-N 2 2 372.538 2.076 20 30 FEEDLP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000372360895 557449653 /nfs/dbraw/zinc/44/96/53/557449653.db2.gz XQTAKGZBFYDTPI-FVQBIDKESA-N 2 2 362.499 2.037 20 30 FEEDLP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000372360895 557449655 /nfs/dbraw/zinc/44/96/55/557449655.db2.gz XQTAKGZBFYDTPI-FVQBIDKESA-N 2 2 362.499 2.037 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000378245682 558510290 /nfs/dbraw/zinc/51/02/90/558510290.db2.gz CUAJVGIVBBGRLP-KURKYZTESA-N 2 2 367.453 2.292 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000378245682 558510293 /nfs/dbraw/zinc/51/02/93/558510293.db2.gz CUAJVGIVBBGRLP-KURKYZTESA-N 2 2 367.453 2.292 20 30 FEEDLP CCCN1C[C@H](C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000421348542 559539750 /nfs/dbraw/zinc/53/97/50/559539750.db2.gz HPMWMLKJXATUMI-IBGZPJMESA-N 2 2 354.498 2.371 20 30 FEEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000424139827 559655899 /nfs/dbraw/zinc/65/58/99/559655899.db2.gz FNVDNYFRZSLODN-CXAGYDPISA-N 2 2 350.413 2.067 20 30 FEEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000424139827 559655900 /nfs/dbraw/zinc/65/59/00/559655900.db2.gz FNVDNYFRZSLODN-CXAGYDPISA-N 2 2 350.413 2.067 20 30 FEEDLP COCC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330326 559877184 /nfs/dbraw/zinc/87/71/84/559877184.db2.gz BDXHNURMJUMZLV-IBGZPJMESA-N 2 2 368.485 2.059 20 30 FEEDLP COCC[N@H+]1CCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330326 559877185 /nfs/dbraw/zinc/87/71/85/559877185.db2.gz BDXHNURMJUMZLV-IBGZPJMESA-N 2 2 368.485 2.059 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc(C#N)cs3)C2)CC1 ZINC000449508295 560232151 /nfs/dbraw/zinc/23/21/51/560232151.db2.gz UYFJMFSAUPIJOW-KRWDZBQOSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000449508295 560232152 /nfs/dbraw/zinc/23/21/52/560232152.db2.gz UYFJMFSAUPIJOW-KRWDZBQOSA-N 2 2 360.527 2.386 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)CC1 ZINC000449508295 560232153 /nfs/dbraw/zinc/23/21/53/560232153.db2.gz UYFJMFSAUPIJOW-KRWDZBQOSA-N 2 2 360.527 2.386 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](CCO)C3CCOCC3)CC2)cc1 ZINC000461090801 560761144 /nfs/dbraw/zinc/76/11/44/560761144.db2.gz NMARNRGOYTUKHY-NRFANRHFSA-N 2 2 357.498 2.290 20 30 FEEDLP CC(C)[NH+]1CCC([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528366846 562325295 /nfs/dbraw/zinc/32/52/95/562325295.db2.gz JKLULDOINAAYNP-UHFFFAOYSA-N 2 2 353.466 2.091 20 30 FEEDLP CC(C)[NH+]1CCC([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528366846 562325296 /nfs/dbraw/zinc/32/52/96/562325296.db2.gz JKLULDOINAAYNP-UHFFFAOYSA-N 2 2 353.466 2.091 20 30 FEEDLP N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000528427780 562328736 /nfs/dbraw/zinc/32/87/36/562328736.db2.gz KWYXISHGODYMLH-GOSISDBHSA-N 2 2 352.438 2.269 20 30 FEEDLP O=C1c2ccccc2C(=O)N1CC#CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000528431905 562328974 /nfs/dbraw/zinc/32/89/74/562328974.db2.gz XOSNEBYRGLDAMK-UHFFFAOYSA-N 2 2 374.444 2.258 20 30 FEEDLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2c(F)cc(C#N)cc2F)CC1 ZINC000530787160 562424018 /nfs/dbraw/zinc/42/40/18/562424018.db2.gz OUFOQUBVJPPHEE-UHFFFAOYSA-N 2 2 357.364 2.236 20 30 FEEDLP CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)cc1 ZINC000603429569 568096852 /nfs/dbraw/zinc/09/68/52/568096852.db2.gz YEDWVJLABUROPY-OAQYLSRUSA-N 2 2 370.541 2.374 20 30 FEEDLP C=C(Cl)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998044993 680373264 /nfs/dbraw/zinc/37/32/64/680373264.db2.gz IBICDLQVHKPGFF-IXDOHACOSA-N 2 2 357.926 2.161 20 30 FEEDLP C=C(Cl)C[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC000998044993 680373269 /nfs/dbraw/zinc/37/32/69/680373269.db2.gz IBICDLQVHKPGFF-IXDOHACOSA-N 2 2 357.926 2.161 20 30 FEEDLP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC000998044993 680373273 /nfs/dbraw/zinc/37/32/73/680373273.db2.gz IBICDLQVHKPGFF-IXDOHACOSA-N 2 2 357.926 2.161 20 30 FEEDLP C=C(Cl)C[NH+]1CCC[C@H](N(CC)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC000998044993 680373276 /nfs/dbraw/zinc/37/32/76/680373276.db2.gz IBICDLQVHKPGFF-IXDOHACOSA-N 2 2 357.926 2.161 20 30 FEEDLP C=C(Br)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001000248714 680425035 /nfs/dbraw/zinc/42/50/35/680425035.db2.gz YVCWMWPLQAODBN-BFHYXJOUSA-N 2 2 367.291 2.013 20 30 FEEDLP C=C(C)CONC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000845601527 681140628 /nfs/dbraw/zinc/14/06/28/681140628.db2.gz QLSVQZJCLZZKTL-ROUUACIJSA-N 2 2 352.523 2.473 20 30 FEEDLP C=C(C)CONC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845601527 681140629 /nfs/dbraw/zinc/14/06/29/681140629.db2.gz QLSVQZJCLZZKTL-ROUUACIJSA-N 2 2 352.523 2.473 20 30 FEEDLP C[NH+](C)[C@@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722803 686253670 /nfs/dbraw/zinc/25/36/70/686253670.db2.gz FMUMMHRKVPKYAC-ROUUACIJSA-N 2 2 354.479 2.226 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000876780036 686267288 /nfs/dbraw/zinc/26/72/88/686267288.db2.gz BFIHYOJRLLMRMG-KRWDZBQOSA-N 2 2 350.894 2.233 20 30 FEEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998503 210205238 /nfs/dbraw/zinc/20/52/38/210205238.db2.gz XDQWURAMHSJKFN-VQTJNVASSA-N 2 2 365.481 2.302 20 30 FEEDLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCCC[C@H]3CO2)c(-c2ccc(C#N)cc2)n1 ZINC000359998503 210205244 /nfs/dbraw/zinc/20/52/44/210205244.db2.gz XDQWURAMHSJKFN-VQTJNVASSA-N 2 2 365.481 2.302 20 30 FEEDLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965791 541899214 /nfs/dbraw/zinc/89/92/14/541899214.db2.gz JINXPQICPKMGQB-RTBURBONSA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965791 541899217 /nfs/dbraw/zinc/89/92/17/541899217.db2.gz JINXPQICPKMGQB-RTBURBONSA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965791 541899222 /nfs/dbraw/zinc/89/92/22/541899222.db2.gz JINXPQICPKMGQB-RTBURBONSA-N 2 2 359.518 2.229 20 30 FEEDLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000072965791 541899228 /nfs/dbraw/zinc/89/92/28/541899228.db2.gz JINXPQICPKMGQB-RTBURBONSA-N 2 2 359.518 2.229 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)cc1 ZINC000081112036 542633374 /nfs/dbraw/zinc/63/33/74/542633374.db2.gz LHADWXJYUXRXHN-UXHICEINSA-N 2 2 352.482 2.077 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)CC2)cc1 ZINC000081112036 542633377 /nfs/dbraw/zinc/63/33/77/542633377.db2.gz LHADWXJYUXRXHN-UXHICEINSA-N 2 2 352.482 2.077 20 30 FEEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)cc3C#N)CC2)CC1 ZINC000109790017 543339286 /nfs/dbraw/zinc/33/92/86/543339286.db2.gz YLNLXGFHASCPTF-UHFFFAOYSA-N 2 2 358.461 2.073 20 30 FEEDLP N#CCCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000118834234 543660375 /nfs/dbraw/zinc/66/03/75/543660375.db2.gz XBOFZWVAFOTDFX-IBGZPJMESA-N 2 2 359.518 2.230 20 30 FEEDLP N#CCCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000118834234 543660376 /nfs/dbraw/zinc/66/03/76/543660376.db2.gz XBOFZWVAFOTDFX-IBGZPJMESA-N 2 2 359.518 2.230 20 30 FEEDLP C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000124866901 543847711 /nfs/dbraw/zinc/84/77/11/543847711.db2.gz KOFNPDXQITWDRX-UXHICEINSA-N 2 2 358.530 2.243 20 30 FEEDLP C=CCC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000124866901 543847714 /nfs/dbraw/zinc/84/77/14/543847714.db2.gz KOFNPDXQITWDRX-UXHICEINSA-N 2 2 358.530 2.243 20 30 FEEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(C#N)ccc1Br ZINC000191817783 328283670 /nfs/dbraw/zinc/28/36/70/328283670.db2.gz OTESBHFVKTXXPA-UHFFFAOYSA-N 2 2 365.319 2.390 20 30 FEEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(C#N)ccc1Br ZINC000191817783 328283672 /nfs/dbraw/zinc/28/36/72/328283672.db2.gz OTESBHFVKTXXPA-UHFFFAOYSA-N 2 2 365.319 2.390 20 30 FEEDLP N#Cc1ccsc1NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174239666 327315162 /nfs/dbraw/zinc/31/51/62/327315162.db2.gz WNRCGTCSJVVOJN-UHFFFAOYSA-N 2 2 362.499 2.135 20 30 FEEDLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1C1CC1 ZINC000267953714 329371498 /nfs/dbraw/zinc/37/14/98/329371498.db2.gz SBBRBHBDEQYZIP-LPHOPBHVSA-N 2 2 367.497 2.011 20 30 FEEDLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1C1CC1 ZINC000267953714 329371499 /nfs/dbraw/zinc/37/14/99/329371499.db2.gz SBBRBHBDEQYZIP-LPHOPBHVSA-N 2 2 367.497 2.011 20 30 FEEDLP C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000160053434 546003256 /nfs/dbraw/zinc/00/32/56/546003256.db2.gz QZPBPHYAKNRHII-ULQDDVLXSA-N 2 2 358.490 2.237 20 30 FEEDLP Cn1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180155681 547059928 /nfs/dbraw/zinc/05/99/28/547059928.db2.gz INVGTDDJEJKQAN-UHFFFAOYSA-N 2 2 367.497 2.237 20 30 FEEDLP Cn1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180155681 547059933 /nfs/dbraw/zinc/05/99/33/547059933.db2.gz INVGTDDJEJKQAN-UHFFFAOYSA-N 2 2 367.497 2.237 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000181514117 547326807 /nfs/dbraw/zinc/32/68/07/547326807.db2.gz JAIJGMMFJOTPOP-UHFFFAOYSA-N 3 2 356.514 2.225 20 30 FEEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)NCc1ccco1 ZINC000181737517 547370728 /nfs/dbraw/zinc/37/07/28/547370728.db2.gz JUCHCHNFOXJGKP-INIZCTEOSA-N 2 2 366.465 2.410 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(C(=O)OC)c2)CC1 ZINC000183499831 547671624 /nfs/dbraw/zinc/67/16/24/547671624.db2.gz LDEZCIOKVNDNDC-OAHLLOKOSA-N 2 2 359.470 2.430 20 30 FEEDLP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000184934511 547903670 /nfs/dbraw/zinc/90/36/70/547903670.db2.gz YTMYCAZRSQGRNG-HXUWFJFHSA-N 2 2 350.466 2.409 20 30 FEEDLP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000184934511 547903671 /nfs/dbraw/zinc/90/36/71/547903671.db2.gz YTMYCAZRSQGRNG-HXUWFJFHSA-N 2 2 350.466 2.409 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186916679 548218651 /nfs/dbraw/zinc/21/86/51/548218651.db2.gz FBGUYGWSZPWBLX-UHFFFAOYSA-N 2 2 354.498 2.074 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000186916679 548218653 /nfs/dbraw/zinc/21/86/53/548218653.db2.gz FBGUYGWSZPWBLX-UHFFFAOYSA-N 2 2 354.498 2.074 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249552780 549604431 /nfs/dbraw/zinc/60/44/31/549604431.db2.gz IPHANNYXEZEVEJ-KNQAVFIVSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249552780 549604434 /nfs/dbraw/zinc/60/44/34/549604434.db2.gz IPHANNYXEZEVEJ-KNQAVFIVSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249552780 549604437 /nfs/dbraw/zinc/60/44/37/549604437.db2.gz IPHANNYXEZEVEJ-KNQAVFIVSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249552780 549604440 /nfs/dbraw/zinc/60/44/40/549604440.db2.gz IPHANNYXEZEVEJ-KNQAVFIVSA-N 2 2 373.541 2.368 20 30 FEEDLP C=CCOc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000261776423 549754170 /nfs/dbraw/zinc/75/41/70/549754170.db2.gz PRVGWDXKNDOWJN-UHFFFAOYSA-N 2 2 353.470 2.326 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)N1CC[C@H](COC)C1 ZINC000262450088 549820638 /nfs/dbraw/zinc/82/06/38/549820638.db2.gz JPKKJZQXHPQMQK-GJZGRUSLSA-N 2 2 350.532 2.038 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)N1CC[C@H](COC)C1 ZINC000262450088 549820640 /nfs/dbraw/zinc/82/06/40/549820640.db2.gz JPKKJZQXHPQMQK-GJZGRUSLSA-N 2 2 350.532 2.038 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NC[C@H](c2cccs2)[NH+](C)C)cc1OC ZINC000264121037 549981050 /nfs/dbraw/zinc/98/10/50/549981050.db2.gz QZMHKGCDELAYBV-CQSZACIVSA-N 2 2 362.499 2.473 20 30 FEEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000272940595 550477687 /nfs/dbraw/zinc/47/76/87/550477687.db2.gz LXCRMSGJMREWOQ-QGZVFWFLSA-N 2 2 367.497 2.036 20 30 FEEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272940595 550477688 /nfs/dbraw/zinc/47/76/88/550477688.db2.gz LXCRMSGJMREWOQ-QGZVFWFLSA-N 2 2 367.497 2.036 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000278828429 550826422 /nfs/dbraw/zinc/82/64/22/550826422.db2.gz IDSAWYJZQRFRKL-HXUWFJFHSA-N 2 2 355.486 2.207 20 30 FEEDLP Cc1cc(C)n(-c2ccc(C(N)=[NH+]OCCC[NH+]3CCCCC3)cn2)n1 ZINC000281205673 551074070 /nfs/dbraw/zinc/07/40/70/551074070.db2.gz PSUYBAJBOKUAGL-UHFFFAOYSA-N 2 2 356.474 2.397 20 30 FEEDLP C[N@@H+]1CCN(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(C)C ZINC000282429433 551227534 /nfs/dbraw/zinc/22/75/34/551227534.db2.gz TWHCHIVTDBIIID-UHFFFAOYSA-N 3 2 369.557 2.138 20 30 FEEDLP C[N@H+]1CCN(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1(C)C ZINC000282429433 551227535 /nfs/dbraw/zinc/22/75/35/551227535.db2.gz TWHCHIVTDBIIID-UHFFFAOYSA-N 3 2 369.557 2.138 20 30 FEEDLP C[C@H](Cn1cc[nH+]c1)Nc1ccc(C#N)c(N[C@H](C)Cn2cc[nH+]c2)n1 ZINC000290471702 552484294 /nfs/dbraw/zinc/48/42/94/552484294.db2.gz GQRXJYUBQXKLIV-HUUCEWRRSA-N 2 2 350.430 2.347 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(OCC#N)c3)CC2)CC1 ZINC000299482569 553569542 /nfs/dbraw/zinc/56/95/42/553569542.db2.gz FUUHXFKUKNTTNV-UHFFFAOYSA-N 2 2 371.485 2.269 20 30 FEEDLP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)C2)CC1 ZINC000328879479 553837472 /nfs/dbraw/zinc/83/74/72/553837472.db2.gz VFDSNYNTJDUALJ-QZTJIDSGSA-N 2 2 357.502 2.238 20 30 FEEDLP CC(C)[N@@H+]1CCc2nc(NC(=O)[C@@H](C)N3CC[NH+](C)CC3)sc2C1 ZINC000329502943 553958771 /nfs/dbraw/zinc/95/87/71/553958771.db2.gz GRQSVOXZMFBGMC-CYBMUJFWSA-N 2 2 351.520 2.134 20 30 FEEDLP CC(C)[N@H+]1CCc2nc(NC(=O)[C@@H](C)N3CC[NH+](C)CC3)sc2C1 ZINC000329502943 553958772 /nfs/dbraw/zinc/95/87/72/553958772.db2.gz GRQSVOXZMFBGMC-CYBMUJFWSA-N 2 2 351.520 2.134 20 30 FEEDLP O=C(C[N@@H+]1CCC2(C1)Oc1ccccc1O2)NC1CC[NH+](C2CC2)CC1 ZINC000329614846 553977218 /nfs/dbraw/zinc/97/72/18/553977218.db2.gz DBUVKTJVLRWWFG-UHFFFAOYSA-N 2 2 357.454 2.443 20 30 FEEDLP O=C(C[N@H+]1CCC2(C1)Oc1ccccc1O2)NC1CC[NH+](C2CC2)CC1 ZINC000329614846 553977220 /nfs/dbraw/zinc/97/72/20/553977220.db2.gz DBUVKTJVLRWWFG-UHFFFAOYSA-N 2 2 357.454 2.443 20 30 FEEDLP Cc1nc(C[N@@H+]2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000330202415 554084529 /nfs/dbraw/zinc/08/45/29/554084529.db2.gz ZGLROFPSPHKKEJ-OAHLLOKOSA-N 2 2 374.514 2.085 20 30 FEEDLP Cc1nc(C[N@H+]2CCCN(C([O-])=[NH+][C@@H]3CCn4cc[nH+]c4C3)CC2)cs1 ZINC000330202415 554084531 /nfs/dbraw/zinc/08/45/31/554084531.db2.gz ZGLROFPSPHKKEJ-OAHLLOKOSA-N 2 2 374.514 2.085 20 30 FEEDLP CC[C@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@@H]1[NH+]1CCOCC1 ZINC000330269826 554096492 /nfs/dbraw/zinc/09/64/92/554096492.db2.gz SKWIEJZMNJVBLE-RDJZCZTQSA-N 2 2 357.458 2.231 20 30 FEEDLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330331172 554106378 /nfs/dbraw/zinc/10/63/78/554106378.db2.gz NWYSOIMNABAVTQ-JFIYKMOQSA-N 2 2 363.506 2.408 20 30 FEEDLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330331172 554106383 /nfs/dbraw/zinc/10/63/83/554106383.db2.gz NWYSOIMNABAVTQ-JFIYKMOQSA-N 2 2 363.506 2.408 20 30 FEEDLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000510936414 561851528 /nfs/dbraw/zinc/85/15/28/561851528.db2.gz PFUMOKLNCFJWML-AEFFLSMTSA-N 2 2 358.461 2.093 20 30 FEEDLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000510936414 561851530 /nfs/dbraw/zinc/85/15/30/561851530.db2.gz PFUMOKLNCFJWML-AEFFLSMTSA-N 2 2 358.461 2.093 20 30 FEEDLP N#CCCn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccccc2)n1 ZINC000362719978 554983435 /nfs/dbraw/zinc/98/34/35/554983435.db2.gz QSEXEWYMBLTIPS-PMACEKPBSA-N 2 2 365.481 2.417 20 30 FEEDLP C[C@H]1C[N@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370147556 556793319 /nfs/dbraw/zinc/79/33/19/556793319.db2.gz DNTHEZAFAVRWQC-RXVVDRJESA-N 2 2 356.514 2.285 20 30 FEEDLP C[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370147556 556793323 /nfs/dbraw/zinc/79/33/23/556793323.db2.gz DNTHEZAFAVRWQC-RXVVDRJESA-N 2 2 356.514 2.285 20 30 FEEDLP CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830053 556983072 /nfs/dbraw/zinc/98/30/72/556983072.db2.gz KUGSSCXSXNQVMH-DUIUGDAFSA-N 2 2 352.482 2.198 20 30 FEEDLP CN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830053 556983073 /nfs/dbraw/zinc/98/30/73/556983073.db2.gz KUGSSCXSXNQVMH-DUIUGDAFSA-N 2 2 352.482 2.198 20 30 FEEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000373950515 557794871 /nfs/dbraw/zinc/79/48/71/557794871.db2.gz PRADYNUVYDEDGL-KRWDZBQOSA-N 2 2 356.474 2.299 20 30 FEEDLP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000373950515 557794873 /nfs/dbraw/zinc/79/48/73/557794873.db2.gz PRADYNUVYDEDGL-KRWDZBQOSA-N 2 2 356.474 2.299 20 30 FEEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000375907075 558097501 /nfs/dbraw/zinc/09/75/01/558097501.db2.gz RBVQHKZEGORMPJ-LJQANCHMSA-N 2 2 351.498 2.411 20 30 FEEDLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000375907075 558097503 /nfs/dbraw/zinc/09/75/03/558097503.db2.gz RBVQHKZEGORMPJ-LJQANCHMSA-N 2 2 351.498 2.411 20 30 FEEDLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376842371 558228436 /nfs/dbraw/zinc/22/84/36/558228436.db2.gz MEDJEBLGJLTVIQ-AWEZNQCLSA-N 2 2 369.494 2.106 20 30 FEEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000472289714 561023367 /nfs/dbraw/zinc/02/33/67/561023367.db2.gz DDTZXCMKSXPJTB-MRXNPFEDSA-N 2 2 362.474 2.139 20 30 FEEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2oc(C)c(C)c2C#N)C1 ZINC000472289714 561023368 /nfs/dbraw/zinc/02/33/68/561023368.db2.gz DDTZXCMKSXPJTB-MRXNPFEDSA-N 2 2 362.474 2.139 20 30 FEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)C ZINC000603287927 568083083 /nfs/dbraw/zinc/08/30/83/568083083.db2.gz YNWWGEVHTHPENA-KRWDZBQOSA-N 2 2 354.458 2.091 20 30 FEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1ccccc1Br ZINC000073742312 670506478 /nfs/dbraw/zinc/50/64/78/670506478.db2.gz XKWBRKRBOHMILQ-UHFFFAOYSA-N 2 2 350.264 2.353 20 30 FEEDLP CC(C)C[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000595510424 673259222 /nfs/dbraw/zinc/25/92/22/673259222.db2.gz CECXKJUYLMKZOD-UHFFFAOYSA-N 2 2 364.515 2.021 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001046330870 680647194 /nfs/dbraw/zinc/64/71/94/680647194.db2.gz VLQOGWQTYAZMLY-LZWOXQAQSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001046330870 680647196 /nfs/dbraw/zinc/64/71/96/680647196.db2.gz VLQOGWQTYAZMLY-LZWOXQAQSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330870 680647199 /nfs/dbraw/zinc/64/71/99/680647199.db2.gz VLQOGWQTYAZMLY-LZWOXQAQSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001046330870 680647202 /nfs/dbraw/zinc/64/72/02/680647202.db2.gz VLQOGWQTYAZMLY-LZWOXQAQSA-N 2 2 358.324 2.206 20 30 FEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]ccc5[nH]cc(C#N)c54)C[C@H]3C2)cn1 ZINC001164773335 721181415 /nfs/dbraw/zinc/18/14/15/721181415.db2.gz WHTHXEVHRNFIEB-NVXWUHKLSA-N 2 2 361.453 2.126 20 30 FEEDLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]ccc5[nH]cc(C#N)c54)C[C@H]3C2)cn1 ZINC001164773335 721181421 /nfs/dbraw/zinc/18/14/21/721181421.db2.gz WHTHXEVHRNFIEB-NVXWUHKLSA-N 2 2 361.453 2.126 20 30 FEEDLP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000079296176 542510787 /nfs/dbraw/zinc/51/07/87/542510787.db2.gz BQBOUVUWFRAOII-SFHVURJKSA-N 2 2 369.513 2.260 20 30 FEEDLP C=CCOc1ccc(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1OC ZINC000093046920 542905274 /nfs/dbraw/zinc/90/52/74/542905274.db2.gz LEPMXGXTKBZZRP-UHFFFAOYSA-N 2 2 373.497 2.000 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164792 543211159 /nfs/dbraw/zinc/21/11/59/543211159.db2.gz VEQJTSYTSSJQHR-MRXNPFEDSA-N 2 2 357.502 2.406 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000177134485 327500297 /nfs/dbraw/zinc/50/02/97/327500297.db2.gz NHDBBJASBWDQRR-UHFFFAOYSA-N 2 2 372.513 2.250 20 30 FEEDLP C[NH+]=C(NC[C@@H](C)[N@@H+]1CCc2sccc2C1)NCC1CCOCC1 ZINC000176345181 546434462 /nfs/dbraw/zinc/43/44/62/546434462.db2.gz HJTWTRDXONYLMD-CQSZACIVSA-N 2 2 350.532 2.086 20 30 FEEDLP C[NH+]=C(NC[C@@H](C)[N@H+]1CCc2sccc2C1)NCC1CCOCC1 ZINC000176345181 546434466 /nfs/dbraw/zinc/43/44/66/546434466.db2.gz HJTWTRDXONYLMD-CQSZACIVSA-N 2 2 350.532 2.086 20 30 FEEDLP COc1cccc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000183168124 547614608 /nfs/dbraw/zinc/61/46/08/547614608.db2.gz FFAXKGPRNPJXEA-UHFFFAOYSA-N 2 2 369.465 2.489 20 30 FEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193620213 548392020 /nfs/dbraw/zinc/39/20/20/548392020.db2.gz FWXADWNFXQNWBW-GBESFXJTSA-N 2 2 354.498 2.432 20 30 FEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193620213 548392023 /nfs/dbraw/zinc/39/20/23/548392023.db2.gz FWXADWNFXQNWBW-GBESFXJTSA-N 2 2 354.498 2.432 20 30 FEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193620213 548392028 /nfs/dbraw/zinc/39/20/28/548392028.db2.gz FWXADWNFXQNWBW-GBESFXJTSA-N 2 2 354.498 2.432 20 30 FEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193620213 548392033 /nfs/dbraw/zinc/39/20/33/548392033.db2.gz FWXADWNFXQNWBW-GBESFXJTSA-N 2 2 354.498 2.432 20 30 FEEDLP N#CC1(NC(=O)[C@@H]2CCCc3[nH+]ccn32)CC[NH+](Cc2ccccc2)CC1 ZINC000487217451 561366361 /nfs/dbraw/zinc/36/63/61/561366361.db2.gz RUMTVWDLCKTFOI-SFHVURJKSA-N 2 2 363.465 2.435 20 30 FEEDLP N#CC1(NC(=O)[C@H]2CCCc3[nH+]ccn32)CC[NH+](Cc2ccccc2)CC1 ZINC000487217450 561366391 /nfs/dbraw/zinc/36/63/91/561366391.db2.gz RUMTVWDLCKTFOI-GOSISDBHSA-N 2 2 363.465 2.435 20 30 FEEDLP C=CCOc1ccccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261841027 549761333 /nfs/dbraw/zinc/76/13/33/549761333.db2.gz WGPRWFJRVLKVIU-UHFFFAOYSA-N 2 2 353.470 2.326 20 30 FEEDLP C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262026500 549781790 /nfs/dbraw/zinc/78/17/90/549781790.db2.gz ZUNYXVCSLMMNFR-NVXWUHKLSA-N 2 2 351.458 2.189 20 30 FEEDLP CC[NH+]=C(NCCc1cn2ccccc2[nH+]1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262447686 549820578 /nfs/dbraw/zinc/82/05/78/549820578.db2.gz JFKOENBYNUFNKP-MRXNPFEDSA-N 2 2 365.485 2.065 20 30 FEEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000264123988 549981809 /nfs/dbraw/zinc/98/18/09/549981809.db2.gz RSAPXKKPSJDZJB-KBPBESRZSA-N 2 2 364.490 2.318 20 30 FEEDLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000266133342 550018006 /nfs/dbraw/zinc/01/80/06/550018006.db2.gz RRQPQTIRPTYOND-INIZCTEOSA-N 2 2 358.486 2.404 20 30 FEEDLP COC(=O)c1cnoc1CO[NH+]=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000285018560 551690488 /nfs/dbraw/zinc/69/04/88/551690488.db2.gz DQNDDHJOGXGLCR-UHFFFAOYSA-N 2 2 372.425 2.284 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679834 551794280 /nfs/dbraw/zinc/79/42/80/551794280.db2.gz USZLFHIACLNYHB-FCHUYYIVSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679834 551794281 /nfs/dbraw/zinc/79/42/81/551794281.db2.gz USZLFHIACLNYHB-FCHUYYIVSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679834 551794282 /nfs/dbraw/zinc/79/42/82/551794282.db2.gz USZLFHIACLNYHB-FCHUYYIVSA-N 2 2 366.509 2.393 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C1CC1 ZINC000285679834 551794284 /nfs/dbraw/zinc/79/42/84/551794284.db2.gz USZLFHIACLNYHB-FCHUYYIVSA-N 2 2 366.509 2.393 20 30 FEEDLP Cn1cc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1C#N ZINC000289681576 552361133 /nfs/dbraw/zinc/36/11/33/552361133.db2.gz NYSFPISFDORRET-NRFANRHFSA-N 2 2 363.509 2.289 20 30 FEEDLP Cn1cc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1C#N ZINC000289681576 552361136 /nfs/dbraw/zinc/36/11/36/552361136.db2.gz NYSFPISFDORRET-NRFANRHFSA-N 2 2 363.509 2.289 20 30 FEEDLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)CC1 ZINC000603129886 553713453 /nfs/dbraw/zinc/71/34/53/553713453.db2.gz ALUHJRHQFKLYMW-UHFFFAOYSA-N 2 2 370.501 2.286 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)CC1 ZINC000603129886 553713454 /nfs/dbraw/zinc/71/34/54/553713454.db2.gz ALUHJRHQFKLYMW-UHFFFAOYSA-N 2 2 370.501 2.286 20 30 FEEDLP CC[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ncc(C)s3)CC2)CC1 ZINC000329364428 553933415 /nfs/dbraw/zinc/93/34/15/553933415.db2.gz ABCDXMQLTXAQPQ-UHFFFAOYSA-N 2 2 351.520 2.014 20 30 FEEDLP CCn1cc[nH+]c1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000329485067 553956102 /nfs/dbraw/zinc/95/61/02/553956102.db2.gz FUSCRJGHJGSKFP-IAGOWNOFSA-N 2 2 361.490 2.065 20 30 FEEDLP CCn1cc[nH+]c1[C@H](NC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000329485067 553956104 /nfs/dbraw/zinc/95/61/04/553956104.db2.gz FUSCRJGHJGSKFP-IAGOWNOFSA-N 2 2 361.490 2.065 20 30 FEEDLP CCN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329999610 554046785 /nfs/dbraw/zinc/04/67/85/554046785.db2.gz VAJYDPQYILYLCY-SJORKVTESA-N 2 2 362.522 2.123 20 30 FEEDLP CCN1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C[C@H]1c1[nH]cc[nH+]1 ZINC000329999610 554046787 /nfs/dbraw/zinc/04/67/87/554046787.db2.gz VAJYDPQYILYLCY-SJORKVTESA-N 2 2 362.522 2.123 20 30 FEEDLP C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332402306 554439872 /nfs/dbraw/zinc/43/98/72/554439872.db2.gz WBLQSKJPHKCEPK-DNVCBOLYSA-N 2 2 355.486 2.235 20 30 FEEDLP C[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332402306 554439874 /nfs/dbraw/zinc/43/98/74/554439874.db2.gz WBLQSKJPHKCEPK-DNVCBOLYSA-N 2 2 355.486 2.235 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OCCCC#N ZINC000369037129 556484306 /nfs/dbraw/zinc/48/43/06/556484306.db2.gz VEFFQLLLJRLZJY-ZWKOTPCHSA-N 2 2 359.470 2.331 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1OCCCC#N ZINC000369037129 556484307 /nfs/dbraw/zinc/48/43/07/556484307.db2.gz VEFFQLLLJRLZJY-ZWKOTPCHSA-N 2 2 359.470 2.331 20 30 FEEDLP C[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767021 556689361 /nfs/dbraw/zinc/68/93/61/556689361.db2.gz PKJUHFNXMRDZKC-XLIONFOSSA-N 2 2 351.498 2.269 20 30 FEEDLP C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767021 556689364 /nfs/dbraw/zinc/68/93/64/556689364.db2.gz PKJUHFNXMRDZKC-XLIONFOSSA-N 2 2 351.498 2.269 20 30 FEEDLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000519586741 562135823 /nfs/dbraw/zinc/13/58/23/562135823.db2.gz SRWLZGCLPTXZLR-KRWDZBQOSA-N 2 2 357.458 2.067 20 30 FEEDLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C#N)cccc3[N+](=O)[O-])C2)CC1 ZINC000519586741 562135824 /nfs/dbraw/zinc/13/58/24/562135824.db2.gz SRWLZGCLPTXZLR-KRWDZBQOSA-N 2 2 357.458 2.067 20 30 FEEDLP C=CCOc1c(Br)cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc1OC ZINC000415093033 559204898 /nfs/dbraw/zinc/20/48/98/559204898.db2.gz HHZGJRYVRFBHFD-CYBMUJFWSA-N 2 2 371.275 2.101 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547022 559709071 /nfs/dbraw/zinc/70/90/71/559709071.db2.gz WWNUUXFAOFNTEW-PXNSSMCTSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547022 559709072 /nfs/dbraw/zinc/70/90/72/559709072.db2.gz WWNUUXFAOFNTEW-PXNSSMCTSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547022 559709073 /nfs/dbraw/zinc/70/90/73/559709073.db2.gz WWNUUXFAOFNTEW-PXNSSMCTSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000425547022 559709074 /nfs/dbraw/zinc/70/90/74/559709074.db2.gz WWNUUXFAOFNTEW-PXNSSMCTSA-N 2 2 372.513 2.024 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)Cn2cc(Br)ccc2=O)CC1 ZINC000428230023 559771894 /nfs/dbraw/zinc/77/18/94/559771894.db2.gz OEUKJIGCPFMLKD-ZDUSSCGKSA-N 2 2 354.292 2.239 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452125294 560352826 /nfs/dbraw/zinc/35/28/26/560352826.db2.gz YPHLGCZZAXZJFI-CQSZACIVSA-N 2 2 362.440 2.343 20 30 FEEDLP CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452125294 560352827 /nfs/dbraw/zinc/35/28/27/560352827.db2.gz YPHLGCZZAXZJFI-CQSZACIVSA-N 2 2 362.440 2.343 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(CC#N)c3)CC2)CC1 ZINC000455899224 560499617 /nfs/dbraw/zinc/49/96/17/560499617.db2.gz ACOJWGLVJWAGFK-UHFFFAOYSA-N 2 2 355.486 2.433 20 30 FEEDLP C[C@H](CC#N)[NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000602863515 568007626 /nfs/dbraw/zinc/00/76/26/568007626.db2.gz NLZKZHVABWDOQB-QGZVFWFLSA-N 2 2 350.466 2.376 20 30 FEEDLP C[NH+](C)[C@@H]1[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]21 ZINC000931282885 684254127 /nfs/dbraw/zinc/25/41/27/684254127.db2.gz MAUFSJFLDRXJMC-HWWDLCQESA-N 2 2 358.511 2.319 20 30 FEEDLP C[NH+](C)[C@@H]1[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C[C@H]21 ZINC000931282885 684254133 /nfs/dbraw/zinc/25/41/33/684254133.db2.gz MAUFSJFLDRXJMC-HWWDLCQESA-N 2 2 358.511 2.319 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](Cc2cc(C)ccc2OC)CC1 ZINC000876712373 686250662 /nfs/dbraw/zinc/25/06/62/686250662.db2.gz PUENQXVTKWEUGD-INIZCTEOSA-N 2 2 351.878 2.118 20 30 FEEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000877191246 686337780 /nfs/dbraw/zinc/33/77/80/686337780.db2.gz MMZMMVMWCVPFEM-GOSISDBHSA-N 2 2 356.857 2.463 20 30 FEEDLP N#Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000877191246 686337787 /nfs/dbraw/zinc/33/77/87/686337787.db2.gz MMZMMVMWCVPFEM-GOSISDBHSA-N 2 2 356.857 2.463 20 30 FEEDLP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575781 686860266 /nfs/dbraw/zinc/86/02/66/686860266.db2.gz OWORMDYGUMGIBS-BBRMVZONSA-N 2 2 358.511 2.463 20 30 FEEDLP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575781 686860278 /nfs/dbraw/zinc/86/02/78/686860278.db2.gz OWORMDYGUMGIBS-BBRMVZONSA-N 2 2 358.511 2.463 20 30 FEEDLP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575781 686860286 /nfs/dbraw/zinc/86/02/86/686860286.db2.gz OWORMDYGUMGIBS-BBRMVZONSA-N 2 2 358.511 2.463 20 30 FEEDLP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC[C@@H]21 ZINC000879575781 686860294 /nfs/dbraw/zinc/86/02/94/686860294.db2.gz OWORMDYGUMGIBS-BBRMVZONSA-N 2 2 358.511 2.463 20 30 FEEDLP C=CCCC[N@@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000076735710 542319452 /nfs/dbraw/zinc/31/94/52/542319452.db2.gz MXDBYOLBMRTOBK-UHFFFAOYSA-N 2 2 359.518 2.455 20 30 FEEDLP C=CCCC[N@H+](C)CC(=O)N1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000076735710 542319455 /nfs/dbraw/zinc/31/94/55/542319455.db2.gz MXDBYOLBMRTOBK-UHFFFAOYSA-N 2 2 359.518 2.455 20 30 FEEDLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000092665072 542879440 /nfs/dbraw/zinc/87/94/40/542879440.db2.gz ZBYFCKQZPBBGAP-QZTJIDSGSA-N 2 2 366.513 2.196 20 30 FEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N1CCS[C@@H](C(C)C)C1 ZINC000153759352 544819134 /nfs/dbraw/zinc/81/91/34/544819134.db2.gz CICJYTJACVBNRJ-MRXNPFEDSA-N 2 2 358.515 2.416 20 30 FEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003763 325349720 /nfs/dbraw/zinc/34/97/20/325349720.db2.gz DVIAISONRRUIDR-APWZRJJASA-N 2 2 352.438 2.461 20 30 FEEDLP COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003763 325349722 /nfs/dbraw/zinc/34/97/22/325349722.db2.gz DVIAISONRRUIDR-APWZRJJASA-N 2 2 352.438 2.461 20 30 FEEDLP N#Cc1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)o1 ZINC000174282815 327316932 /nfs/dbraw/zinc/31/69/32/327316932.db2.gz KQULPBCDSQIPAK-UHFFFAOYSA-N 2 2 368.437 2.102 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3nc4ccccn4c3C#N)CC2)CC1 ZINC000272954231 329826104 /nfs/dbraw/zinc/82/61/04/329826104.db2.gz YFZCLKLCJUJBEV-UHFFFAOYSA-N 2 2 352.486 2.201 20 30 FEEDLP CO/N=C/c1ccc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000172850451 546268542 /nfs/dbraw/zinc/26/85/42/546268542.db2.gz HFNUOHKGUANKLH-XQNSMLJCSA-N 2 2 372.513 2.347 20 30 FEEDLP CC(C)(CCC#N)C[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000174384356 546295313 /nfs/dbraw/zinc/29/53/13/546295313.db2.gz ZMNODFOZBRLUHT-QGZVFWFLSA-N 2 2 372.517 2.202 20 30 FEEDLP C=CC[NH+]1CCC([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)CC1 ZINC000180628182 547144679 /nfs/dbraw/zinc/14/46/79/547144679.db2.gz GJGKENXUVSHBGK-UHFFFAOYSA-N 2 2 366.502 2.278 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC[N@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000181733102 547369314 /nfs/dbraw/zinc/36/93/14/547369314.db2.gz FRNXIIATBKPJEW-QFIPXVFZSA-N 3 2 370.541 2.349 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC[N@@H+]3CCC[C@H]3CO)CC2)cc1 ZINC000181733102 547369318 /nfs/dbraw/zinc/36/93/18/547369318.db2.gz FRNXIIATBKPJEW-QFIPXVFZSA-N 3 2 370.541 2.349 20 30 FEEDLP N#Cc1cc(NCCn2cc[nH+]c2)cc(NCCn2cc[nH+]c2)c1[N+](=O)[O-] ZINC000183719458 547706838 /nfs/dbraw/zinc/70/68/38/547706838.db2.gz SDXTXPZWLOMNOD-UHFFFAOYSA-N 2 2 366.385 2.084 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000250292002 549640656 /nfs/dbraw/zinc/64/06/56/549640656.db2.gz UFNSOOSUZJGPDT-AQNXPRMDSA-N 2 2 364.578 2.290 20 30 FEEDLP C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262007056 549779791 /nfs/dbraw/zinc/77/97/91/549779791.db2.gz VWAKUAHVORHJET-CHWSQXEVSA-N 2 2 351.405 2.133 20 30 FEEDLP CC(C)(CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCOCC1 ZINC000264076546 549976242 /nfs/dbraw/zinc/97/62/42/549976242.db2.gz HMGHTOMPGVOSRR-UHFFFAOYSA-N 2 2 360.380 2.423 20 30 FEEDLP C=CCc1ccc(OC[C@H](O)C[N@H+](C)CCCn2cc[nH+]c2)c(OC)c1 ZINC000271615476 550390428 /nfs/dbraw/zinc/39/04/28/550390428.db2.gz DBRHFMPNHLLDGR-GOSISDBHSA-N 2 2 359.470 2.382 20 30 FEEDLP C=CCc1ccc(OC[C@H](O)C[N@@H+](C)CCCn2cc[nH+]c2)c(OC)c1 ZINC000271615476 550390429 /nfs/dbraw/zinc/39/04/29/550390429.db2.gz DBRHFMPNHLLDGR-GOSISDBHSA-N 2 2 359.470 2.382 20 30 FEEDLP Cc1cc(NCC[NH2+]C[C@@H](O)COc2ccccc2C#N)nc(C(C)C)[nH+]1 ZINC000600762253 553312560 /nfs/dbraw/zinc/31/25/60/553312560.db2.gz PSRMMZFNCIXXKN-QGZVFWFLSA-N 2 2 369.469 2.222 20 30 FEEDLP C[N@@H+]1CCc2ncnc(N3CCC[NH+](Cc4ccc(C#N)cc4)CC3)c2C1 ZINC000299551083 553579860 /nfs/dbraw/zinc/57/98/60/553579860.db2.gz CCMJYKDSKQGFDL-UHFFFAOYSA-N 2 2 362.481 2.048 20 30 FEEDLP C[N@H+]1CCc2ncnc(N3CCC[NH+](Cc4ccc(C#N)cc4)CC3)c2C1 ZINC000299551083 553579862 /nfs/dbraw/zinc/57/98/62/553579862.db2.gz CCMJYKDSKQGFDL-UHFFFAOYSA-N 2 2 362.481 2.048 20 30 FEEDLP C[NH+]1CCc2ncnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2C1 ZINC000299551083 553579863 /nfs/dbraw/zinc/57/98/63/553579863.db2.gz CCMJYKDSKQGFDL-UHFFFAOYSA-N 2 2 362.481 2.048 20 30 FEEDLP C[NH+]1CCc2ncnc(N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)c2C1 ZINC000299551083 553579864 /nfs/dbraw/zinc/57/98/64/553579864.db2.gz CCMJYKDSKQGFDL-UHFFFAOYSA-N 2 2 362.481 2.048 20 30 FEEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329259301 553912774 /nfs/dbraw/zinc/91/27/74/553912774.db2.gz AFFQPYPZMJLUTN-PVAVHDDUSA-N 2 2 363.506 2.074 20 30 FEEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329259301 553912775 /nfs/dbraw/zinc/91/27/75/553912775.db2.gz AFFQPYPZMJLUTN-PVAVHDDUSA-N 2 2 363.506 2.074 20 30 FEEDLP CCn1cc[nH+]c1[C@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000329485058 553955951 /nfs/dbraw/zinc/95/59/51/553955951.db2.gz FUSCRJGHJGSKFP-DLBZAZTESA-N 2 2 361.490 2.065 20 30 FEEDLP CCn1cc[nH+]c1[C@H](NC(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000329485058 553955954 /nfs/dbraw/zinc/95/59/54/553955954.db2.gz FUSCRJGHJGSKFP-DLBZAZTESA-N 2 2 361.490 2.065 20 30 FEEDLP C[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000332402308 554439850 /nfs/dbraw/zinc/43/98/50/554439850.db2.gz WBLQSKJPHKCEPK-HNAYVOBHSA-N 2 2 355.486 2.235 20 30 FEEDLP C[C@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000332402308 554439852 /nfs/dbraw/zinc/43/98/52/554439852.db2.gz WBLQSKJPHKCEPK-HNAYVOBHSA-N 2 2 355.486 2.235 20 30 FEEDLP C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000512516191 561908170 /nfs/dbraw/zinc/90/81/70/561908170.db2.gz BPTZNGVZDMCVPR-SFHVURJKSA-N 2 2 361.534 2.395 20 30 FEEDLP C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000512516191 561908171 /nfs/dbraw/zinc/90/81/71/561908171.db2.gz BPTZNGVZDMCVPR-SFHVURJKSA-N 2 2 361.534 2.395 20 30 FEEDLP C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369365091 556580956 /nfs/dbraw/zinc/58/09/56/556580956.db2.gz XSZYWAGSTGYLTM-IBGZPJMESA-N 2 2 372.488 2.139 20 30 FEEDLP C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369365091 556580959 /nfs/dbraw/zinc/58/09/59/556580959.db2.gz XSZYWAGSTGYLTM-IBGZPJMESA-N 2 2 372.488 2.139 20 30 FEEDLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCC[N@@H+]2C)cn1 ZINC000369479061 556607917 /nfs/dbraw/zinc/60/79/17/556607917.db2.gz RBBLMOLNIMCQIP-OXQOHEQNSA-N 2 2 363.469 2.112 20 30 FEEDLP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3cnc4ccc(C#N)cn34)CCC[N@H+]2C)cn1 ZINC000369479061 556607919 /nfs/dbraw/zinc/60/79/19/556607919.db2.gz RBBLMOLNIMCQIP-OXQOHEQNSA-N 2 2 363.469 2.112 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000369671135 556664576 /nfs/dbraw/zinc/66/45/76/556664576.db2.gz DAVYDNASXSTLQE-OXJNMPFZSA-N 2 2 353.470 2.473 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1C#N ZINC000369671135 556664578 /nfs/dbraw/zinc/66/45/78/556664578.db2.gz DAVYDNASXSTLQE-OXJNMPFZSA-N 2 2 353.470 2.473 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C1=O ZINC000370236650 556819059 /nfs/dbraw/zinc/81/90/59/556819059.db2.gz SXLOBHNUWGUWMO-YVSFHVDLSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C1=O ZINC000370236650 556819062 /nfs/dbraw/zinc/81/90/62/556819062.db2.gz SXLOBHNUWGUWMO-YVSFHVDLSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C1=O ZINC000370236650 556819065 /nfs/dbraw/zinc/81/90/65/556819065.db2.gz SXLOBHNUWGUWMO-YVSFHVDLSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)C1=O ZINC000370236650 556819067 /nfs/dbraw/zinc/81/90/67/556819067.db2.gz SXLOBHNUWGUWMO-YVSFHVDLSA-N 2 2 356.495 2.141 20 30 FEEDLP C#CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090854 557071989 /nfs/dbraw/zinc/07/19/89/557071989.db2.gz YRKSTNIIWZLDQM-ICSRJNTNSA-N 2 2 354.498 2.219 20 30 FEEDLP C#CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090854 557071993 /nfs/dbraw/zinc/07/19/93/557071993.db2.gz YRKSTNIIWZLDQM-ICSRJNTNSA-N 2 2 354.498 2.219 20 30 FEEDLP C[NH+]1CCC(CNC(=O)Nc2cccc(C#N)n2)([NH+]2CCCCC2)CC1 ZINC000519152143 562125973 /nfs/dbraw/zinc/12/59/73/562125973.db2.gz AVUKPJPJPSJZAA-UHFFFAOYSA-N 2 2 356.474 2.025 20 30 FEEDLP N#Cc1ccccc1Cn1cccc1C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372671967 557534211 /nfs/dbraw/zinc/53/42/11/557534211.db2.gz FTOYBWKXHLVVQP-RTWAWAEBSA-N 2 2 350.466 2.361 20 30 FEEDLP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000390655011 558611568 /nfs/dbraw/zinc/61/15/68/558611568.db2.gz FXKKYPKFKZYNIK-YLJYHZDGSA-N 2 2 353.466 2.408 20 30 FEEDLP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000390655011 558611570 /nfs/dbraw/zinc/61/15/70/558611570.db2.gz FXKKYPKFKZYNIK-YLJYHZDGSA-N 2 2 353.466 2.408 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424178596 559656910 /nfs/dbraw/zinc/65/69/10/559656910.db2.gz XETFZSKUXOLPEK-HRCADAONSA-N 2 2 352.841 2.362 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000424178596 559656911 /nfs/dbraw/zinc/65/69/11/559656911.db2.gz XETFZSKUXOLPEK-HRCADAONSA-N 2 2 352.841 2.362 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547027 559709063 /nfs/dbraw/zinc/70/90/63/559709063.db2.gz WWNUUXFAOFNTEW-XLIONFOSSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547027 559709064 /nfs/dbraw/zinc/70/90/64/559709064.db2.gz WWNUUXFAOFNTEW-XLIONFOSSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547027 559709065 /nfs/dbraw/zinc/70/90/65/559709065.db2.gz WWNUUXFAOFNTEW-XLIONFOSSA-N 2 2 372.513 2.024 20 30 FEEDLP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)C1 ZINC000425547027 559709066 /nfs/dbraw/zinc/70/90/66/559709066.db2.gz WWNUUXFAOFNTEW-XLIONFOSSA-N 2 2 372.513 2.024 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425995181 559727154 /nfs/dbraw/zinc/72/71/54/559727154.db2.gz TVVOZFJCHZORFE-UGKGYDQZSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425995181 559727155 /nfs/dbraw/zinc/72/71/55/559727155.db2.gz TVVOZFJCHZORFE-UGKGYDQZSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425995181 559727156 /nfs/dbraw/zinc/72/71/56/559727156.db2.gz TVVOZFJCHZORFE-UGKGYDQZSA-N 2 2 371.525 2.144 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425995181 559727157 /nfs/dbraw/zinc/72/71/57/559727157.db2.gz TVVOZFJCHZORFE-UGKGYDQZSA-N 2 2 371.525 2.144 20 30 FEEDLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@H+](C)CC(C)(C)C#N ZINC000433282524 559875706 /nfs/dbraw/zinc/87/57/06/559875706.db2.gz BHJUIUFVWGKBRQ-KRWDZBQOSA-N 2 2 372.513 2.005 20 30 FEEDLP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1)[N@@H+](C)CC(C)(C)C#N ZINC000433282524 559875707 /nfs/dbraw/zinc/87/57/07/559875707.db2.gz BHJUIUFVWGKBRQ-KRWDZBQOSA-N 2 2 372.513 2.005 20 30 FEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399347 562326948 /nfs/dbraw/zinc/32/69/48/562326948.db2.gz VVWVPUYUAXVJRG-SJORKVTESA-N 2 2 353.466 2.091 20 30 FEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399347 562326949 /nfs/dbraw/zinc/32/69/49/562326949.db2.gz VVWVPUYUAXVJRG-SJORKVTESA-N 2 2 353.466 2.091 20 30 FEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399347 562326950 /nfs/dbraw/zinc/32/69/50/562326950.db2.gz VVWVPUYUAXVJRG-SJORKVTESA-N 2 2 353.466 2.091 20 30 FEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C ZINC000528399347 562326951 /nfs/dbraw/zinc/32/69/51/562326951.db2.gz VVWVPUYUAXVJRG-SJORKVTESA-N 2 2 353.466 2.091 20 30 FEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000602722082 568023069 /nfs/dbraw/zinc/02/30/69/568023069.db2.gz LZIXBFCYABXRNO-FPOVZHCZSA-N 2 2 370.541 2.491 20 30 FEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000602722082 568023071 /nfs/dbraw/zinc/02/30/71/568023071.db2.gz LZIXBFCYABXRNO-FPOVZHCZSA-N 2 2 370.541 2.491 20 30 FEEDLP N#Cc1cccc(S(=O)(=O)CC[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1 ZINC000568621155 568099780 /nfs/dbraw/zinc/09/97/80/568099780.db2.gz MZCGWRBZQGEEHU-UHFFFAOYSA-N 2 2 368.462 2.431 20 30 FEEDLP N#Cc1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000572171064 670969874 /nfs/dbraw/zinc/96/98/74/670969874.db2.gz WPIZANHVCMPXMA-HNNXBMFYSA-N 2 2 354.376 2.006 20 30 FEEDLP N#Cc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(C(F)(F)F)c1 ZINC000572171064 670969876 /nfs/dbraw/zinc/96/98/76/670969876.db2.gz WPIZANHVCMPXMA-HNNXBMFYSA-N 2 2 354.376 2.006 20 30 FEEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000575999516 671337267 /nfs/dbraw/zinc/33/72/67/671337267.db2.gz IQPZZDRUADLMGM-UHFFFAOYSA-N 2 2 358.833 2.086 20 30 FEEDLP C[NH+]=C(NCC1(SC)CCOCC1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262005177 672907308 /nfs/dbraw/zinc/90/73/08/672907308.db2.gz VKQSYFUTEIVCBL-JKSUJKDBSA-N 2 2 365.547 2.254 20 30 FEEDLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@@H+]1C ZINC000981197963 680220596 /nfs/dbraw/zinc/22/05/96/680220596.db2.gz SWRASLACXIIQEQ-ZWKOTPCHSA-N 2 2 360.527 2.384 20 30 FEEDLP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3ccc(C#N)s3)CC2)CC[N@H+]1C ZINC000981197963 680220597 /nfs/dbraw/zinc/22/05/97/680220597.db2.gz SWRASLACXIIQEQ-ZWKOTPCHSA-N 2 2 360.527 2.384 20 30 FEEDLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC000981197963 680220598 /nfs/dbraw/zinc/22/05/98/680220598.db2.gz SWRASLACXIIQEQ-ZWKOTPCHSA-N 2 2 360.527 2.384 20 30 FEEDLP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(C#N)s3)CC2)CC[NH+]1C ZINC000981197963 680220599 /nfs/dbraw/zinc/22/05/99/680220599.db2.gz SWRASLACXIIQEQ-ZWKOTPCHSA-N 2 2 360.527 2.384 20 30 FEEDLP C=C(Cl)C[N@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571452 680280998 /nfs/dbraw/zinc/28/09/98/680280998.db2.gz NEVFNONBDAJOBE-RGCFKVTRSA-N 2 2 362.905 2.447 20 30 FEEDLP C=C(Cl)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)C[C@@]2(C)C1 ZINC000982571452 680281000 /nfs/dbraw/zinc/28/10/00/680281000.db2.gz NEVFNONBDAJOBE-RGCFKVTRSA-N 2 2 362.905 2.447 20 30 FEEDLP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)CC1 ZINC000996684437 680338947 /nfs/dbraw/zinc/33/89/47/680338947.db2.gz MZGYYESABYFPOM-CHWSQXEVSA-N 2 2 353.264 2.002 20 30 FEEDLP C=C(Br)C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)CC1 ZINC000996684437 680338950 /nfs/dbraw/zinc/33/89/50/680338950.db2.gz MZGYYESABYFPOM-CHWSQXEVSA-N 2 2 353.264 2.002 20 30 FEEDLP C#CC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000913896822 685488038 /nfs/dbraw/zinc/48/80/38/685488038.db2.gz JSLCVNUNLXDUHG-GOSISDBHSA-N 2 2 362.905 2.340 20 30 FEEDLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(C#N)cnc3Cl)cn2)CC1 ZINC000876922410 686295757 /nfs/dbraw/zinc/29/57/57/686295757.db2.gz YFIGURIEVJFOLM-UHFFFAOYSA-N 2 2 356.861 2.043 20 30 FEEDLP N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1nc(C[NH+]3CCCCC3)cs1)C2 ZINC000884177605 687809139 /nfs/dbraw/zinc/80/91/39/687809139.db2.gz OOKKRLJZDGXYCJ-FVRSWCFKSA-N 2 2 359.499 2.207 20 30 FEEDLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4[nH+]ccc5[nH]cc(C#N)c54)C[C@@H]3C2)cn1 ZINC001164773337 721180777 /nfs/dbraw/zinc/18/07/77/721180777.db2.gz WHTHXEVHRNFIEB-WBVHZDCISA-N 2 2 361.453 2.126 20 30 FEEDLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4[nH+]ccc5[nH]cc(C#N)c54)C[C@@H]3C2)cn1 ZINC001164773337 721180791 /nfs/dbraw/zinc/18/07/91/721180791.db2.gz WHTHXEVHRNFIEB-WBVHZDCISA-N 2 2 361.453 2.126 20 30 FEEDLP CC[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108501 542234199 /nfs/dbraw/zinc/23/41/99/542234199.db2.gz FPBXCIUTGZLCEX-NRFANRHFSA-N 2 2 369.513 2.428 20 30 FEEDLP CC[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108501 542234201 /nfs/dbraw/zinc/23/42/01/542234201.db2.gz FPBXCIUTGZLCEX-NRFANRHFSA-N 2 2 369.513 2.428 20 30 FEEDLP C=CCC[C@H](CC)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000127804022 544014948 /nfs/dbraw/zinc/01/49/48/544014948.db2.gz YGYZJIBYUKAXSK-SFHVURJKSA-N 2 2 365.543 2.457 20 30 FEEDLP CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127475448 543995346 /nfs/dbraw/zinc/99/53/46/543995346.db2.gz VGBANBIMBQIKJQ-UHFFFAOYSA-N 2 2 369.513 2.258 20 30 FEEDLP C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000153003990 544721659 /nfs/dbraw/zinc/72/16/59/544721659.db2.gz SXCCOJNKJKRHOG-OAHLLOKOSA-N 2 2 351.516 2.286 20 30 FEEDLP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)Nc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000170780156 327098739 /nfs/dbraw/zinc/09/87/39/327098739.db2.gz AVLWJPBVRRTTBF-IAGOWNOFSA-N 2 2 370.497 2.318 20 30 FEEDLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000264769134 329058505 /nfs/dbraw/zinc/05/85/05/329058505.db2.gz QPAHRZBHMQMUBI-NRFANRHFSA-N 2 2 364.493 2.473 20 30 FEEDLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000264769134 329058507 /nfs/dbraw/zinc/05/85/07/329058507.db2.gz QPAHRZBHMQMUBI-NRFANRHFSA-N 2 2 364.493 2.473 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)CC1 ZINC000171704563 546219240 /nfs/dbraw/zinc/21/92/40/546219240.db2.gz ADOCYBHJBBWRTC-HXUWFJFHSA-N 2 2 372.513 2.010 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000172229880 546241775 /nfs/dbraw/zinc/24/17/75/546241775.db2.gz FGZCUYRSRXRBEB-QGZVFWFLSA-N 2 2 357.502 2.120 20 30 FEEDLP C[NH+](C)CCN1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181467329 547320247 /nfs/dbraw/zinc/32/02/47/547320247.db2.gz XNOAGEJBMGGLMD-UHFFFAOYSA-N 3 2 369.557 2.138 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCNC(=O)C3CCC3)CC2)cc1 ZINC000182003453 547420330 /nfs/dbraw/zinc/42/03/30/547420330.db2.gz VRCBFAMQCZEAOJ-UHFFFAOYSA-N 2 2 354.498 2.419 20 30 FEEDLP N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000183187520 547618221 /nfs/dbraw/zinc/61/82/21/547618221.db2.gz NKFRWAJFOACINE-UHFFFAOYSA-N 2 2 352.398 2.215 20 30 FEEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000488468630 561390292 /nfs/dbraw/zinc/39/02/92/561390292.db2.gz LIYWKJHUBPHMIQ-UHFFFAOYSA-N 2 2 374.448 2.343 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249288123 549576563 /nfs/dbraw/zinc/57/65/63/549576563.db2.gz LYELFEBJBUJBBO-QFBILLFUSA-N 2 2 358.486 2.223 20 30 FEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000249288123 549576565 /nfs/dbraw/zinc/57/65/65/549576565.db2.gz LYELFEBJBUJBBO-QFBILLFUSA-N 2 2 358.486 2.223 20 30 FEEDLP C[NH+]=C(NCc1cccnc1-n1cc[nH+]c1)N[C@@H]1CCc2ccccc2C1 ZINC000262229363 549800767 /nfs/dbraw/zinc/80/07/67/549800767.db2.gz MXRDTLCNGMRYHT-LJQANCHMSA-N 2 2 360.465 2.490 20 30 FEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271809830 550403289 /nfs/dbraw/zinc/40/32/89/550403289.db2.gz AQGFYSOOLXWGGY-APWZRJJASA-N 2 2 358.486 2.182 20 30 FEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271809830 550403290 /nfs/dbraw/zinc/40/32/90/550403290.db2.gz AQGFYSOOLXWGGY-APWZRJJASA-N 2 2 358.486 2.182 20 30 FEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668212 550809619 /nfs/dbraw/zinc/80/96/19/550809619.db2.gz NVVDKOGVWRAFDM-HNAYVOBHSA-N 2 2 350.470 2.431 20 30 FEEDLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668212 550809620 /nfs/dbraw/zinc/80/96/20/550809620.db2.gz NVVDKOGVWRAFDM-HNAYVOBHSA-N 2 2 350.470 2.431 20 30 FEEDLP COc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1C#N ZINC000281790032 551143575 /nfs/dbraw/zinc/14/35/75/551143575.db2.gz UJKSBSVCQBMIGM-HXUWFJFHSA-N 2 2 351.450 2.076 20 30 FEEDLP COc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1C#N ZINC000281790032 551143579 /nfs/dbraw/zinc/14/35/79/551143579.db2.gz UJKSBSVCQBMIGM-HXUWFJFHSA-N 2 2 351.450 2.076 20 30 FEEDLP C=CCN1CC[C@@H](O[NH+]=C(N)c2cccc(C[NH+]3CCCCC3)c2)C1=O ZINC000283581670 551391563 /nfs/dbraw/zinc/39/15/63/551391563.db2.gz RFIPSPCFGLKMJD-GOSISDBHSA-N 2 2 356.470 2.096 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501116439 561590381 /nfs/dbraw/zinc/59/03/81/561590381.db2.gz RQUKYDDCSGVQFB-HSALFYBXSA-N 2 2 362.562 2.066 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501116439 561590382 /nfs/dbraw/zinc/59/03/82/561590382.db2.gz RQUKYDDCSGVQFB-HSALFYBXSA-N 2 2 362.562 2.066 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501116441 561590426 /nfs/dbraw/zinc/59/04/26/561590426.db2.gz RQUKYDDCSGVQFB-ZCNNSNEGSA-N 2 2 362.562 2.066 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501116441 561590427 /nfs/dbraw/zinc/59/04/27/561590427.db2.gz RQUKYDDCSGVQFB-ZCNNSNEGSA-N 2 2 362.562 2.066 20 30 FEEDLP COc1cnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000328804135 553824462 /nfs/dbraw/zinc/82/44/62/553824462.db2.gz BPAUNNIRVJGLBD-UHFFFAOYSA-N 2 2 353.492 2.036 20 30 FEEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329957198 554038609 /nfs/dbraw/zinc/03/86/09/554038609.db2.gz QAPQEUJQPDCZAA-FZKCQIBNSA-N 2 2 351.470 2.162 20 30 FEEDLP CC1CC[NH+](CC(=O)NC[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)CC1 ZINC000329982449 554043325 /nfs/dbraw/zinc/04/33/25/554043325.db2.gz OXIYKHWUQRMPII-HOTGVXAUSA-N 2 2 351.470 2.021 20 30 FEEDLP Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000330336059 554107289 /nfs/dbraw/zinc/10/72/89/554107289.db2.gz SBDDHUTXYFFWNC-BBRMVZONSA-N 2 2 363.506 2.453 20 30 FEEDLP CCC[NH+]1CCC(CNC(=O)N2CCN(CC)[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000330337158 554107413 /nfs/dbraw/zinc/10/74/13/554107413.db2.gz TUPBZMJZBZEKDR-QGZVFWFLSA-N 2 2 362.522 2.124 20 30 FEEDLP C#CCC[NH+]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3-c3ccccc3)C2)CC1 ZINC000364728820 555387254 /nfs/dbraw/zinc/38/72/54/555387254.db2.gz VHCJJACXMBIFGE-IBGZPJMESA-N 2 2 362.477 2.280 20 30 FEEDLP C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000367454274 556054204 /nfs/dbraw/zinc/05/42/04/556054204.db2.gz NZGHKQOCLPSXLN-DKRLNXSXSA-N 2 2 352.482 2.198 20 30 FEEDLP C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367454274 556054206 /nfs/dbraw/zinc/05/42/06/556054206.db2.gz NZGHKQOCLPSXLN-DKRLNXSXSA-N 2 2 352.482 2.198 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H](CO)c3cccnc3)CC2)cc1 ZINC000367560800 556083175 /nfs/dbraw/zinc/08/31/75/556083175.db2.gz AYSIPIRABNAOCH-HXUWFJFHSA-N 2 2 350.466 2.283 20 30 FEEDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000368606742 556360122 /nfs/dbraw/zinc/36/01/22/556360122.db2.gz FKSAQPGCUPAPNW-OAQYLSRUSA-N 2 2 356.514 2.473 20 30 FEEDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000368606742 556360125 /nfs/dbraw/zinc/36/01/25/556360125.db2.gz FKSAQPGCUPAPNW-OAQYLSRUSA-N 2 2 356.514 2.473 20 30 FEEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000424139829 559655991 /nfs/dbraw/zinc/65/59/91/559655991.db2.gz FNVDNYFRZSLODN-DYVFJYSZSA-N 2 2 350.413 2.067 20 30 FEEDLP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000424139829 559655992 /nfs/dbraw/zinc/65/59/92/559655992.db2.gz FNVDNYFRZSLODN-DYVFJYSZSA-N 2 2 350.413 2.067 20 30 FEEDLP N#CCCn1cc(C[NH2+]C[C@@H]2CCCC[N@H+]2CCO)c(-c2ccccc2)n1 ZINC000449395695 560228702 /nfs/dbraw/zinc/22/87/02/560228702.db2.gz QGRVZNYZAGAYFP-FQEVSTJZSA-N 2 2 367.497 2.400 20 30 FEEDLP N#CCCn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+]2CCO)c(-c2ccccc2)n1 ZINC000449395695 560228703 /nfs/dbraw/zinc/22/87/03/560228703.db2.gz QGRVZNYZAGAYFP-FQEVSTJZSA-N 2 2 367.497 2.400 20 30 FEEDLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000535205678 562553100 /nfs/dbraw/zinc/55/31/00/562553100.db2.gz JOBILXDNAZKHHL-QGZVFWFLSA-N 2 2 359.470 2.278 20 30 FEEDLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000535205678 562553101 /nfs/dbraw/zinc/55/31/01/562553101.db2.gz JOBILXDNAZKHHL-QGZVFWFLSA-N 2 2 359.470 2.278 20 30 FEEDLP CN(C)c1[nH+]cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)n1C ZINC000569441434 568402418 /nfs/dbraw/zinc/40/24/18/568402418.db2.gz QNNKJCLKVUIGOD-UHFFFAOYSA-N 2 2 354.458 2.233 20 30 FEEDLP C[NH+]1CCC(CNC(=[NH2+])NCCc2cccs2)([NH+]2CCCCC2)CC1 ZINC000304798042 673020541 /nfs/dbraw/zinc/02/05/41/673020541.db2.gz NNVSIXLIXCNAQG-UHFFFAOYSA-N 3 2 363.575 2.145 20 30 FEEDLP FC(F)O[C@@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](OC(F)F)C2)C1 ZINC000671243045 679318341 /nfs/dbraw/zinc/31/83/41/679318341.db2.gz LKGOOZOKCRNQSM-ZIAGYGMSSA-N 2 2 352.372 2.397 20 30 FEEDLP FC(F)O[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](OC(F)F)C2)C1 ZINC000671243045 679318343 /nfs/dbraw/zinc/31/83/43/679318343.db2.gz LKGOOZOKCRNQSM-ZIAGYGMSSA-N 2 2 352.372 2.397 20 30 FEEDLP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888669 680362025 /nfs/dbraw/zinc/36/20/25/680362025.db2.gz WUHPPJOYGHUMMV-KURKYZTESA-N 2 2 369.937 2.066 20 30 FEEDLP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001027888669 680362030 /nfs/dbraw/zinc/36/20/30/680362030.db2.gz WUHPPJOYGHUMMV-KURKYZTESA-N 2 2 369.937 2.066 20 30 FEEDLP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066196174 541289595 /nfs/dbraw/zinc/28/95/95/541289595.db2.gz CMXZOEWGWYTICY-KRWDZBQOSA-N 2 2 357.502 2.116 20 30 FEEDLP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000066196174 541289597 /nfs/dbraw/zinc/28/95/97/541289597.db2.gz CMXZOEWGWYTICY-KRWDZBQOSA-N 2 2 357.502 2.116 20 30 FEEDLP CC(C)[N@H+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000081513169 542662417 /nfs/dbraw/zinc/66/24/17/542662417.db2.gz RAOYJXYKBTZDEK-UHFFFAOYSA-N 2 2 363.527 2.384 20 30 FEEDLP CC(C)[N@@H+](C)CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000081513169 542662422 /nfs/dbraw/zinc/66/24/22/542662422.db2.gz RAOYJXYKBTZDEK-UHFFFAOYSA-N 2 2 363.527 2.384 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1=O ZINC000083209619 542694764 /nfs/dbraw/zinc/69/47/64/542694764.db2.gz SXLOBHNUWGUWMO-HZMVEIRTSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1=O ZINC000083209619 542694768 /nfs/dbraw/zinc/69/47/68/542694768.db2.gz SXLOBHNUWGUWMO-HZMVEIRTSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1=O ZINC000083209619 542694771 /nfs/dbraw/zinc/69/47/71/542694771.db2.gz SXLOBHNUWGUWMO-HZMVEIRTSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)C1=O ZINC000083209619 542694775 /nfs/dbraw/zinc/69/47/75/542694775.db2.gz SXLOBHNUWGUWMO-HZMVEIRTSA-N 2 2 356.495 2.141 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NCc1oc2ccccc2c1C ZINC000087387109 542745295 /nfs/dbraw/zinc/74/52/95/542745295.db2.gz UJHURCSUKPTCBV-UHFFFAOYSA-N 2 2 354.458 2.406 20 30 FEEDLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc2)CC1 ZINC000092175233 542847544 /nfs/dbraw/zinc/84/75/44/542847544.db2.gz DTGCTHWVURFUMZ-OAQYLSRUSA-N 2 2 374.492 2.284 20 30 FEEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000117250082 326053582 /nfs/dbraw/zinc/05/35/82/326053582.db2.gz YZHRDJDDELHLGQ-UHFFFAOYSA-N 2 2 361.449 2.339 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160043998 546002974 /nfs/dbraw/zinc/00/29/74/546002974.db2.gz PZAJYZPLBYNNDX-MRXNPFEDSA-N 2 2 373.501 2.020 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160043998 546002975 /nfs/dbraw/zinc/00/29/75/546002975.db2.gz PZAJYZPLBYNNDX-MRXNPFEDSA-N 2 2 373.501 2.020 20 30 FEEDLP CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000482018680 561247509 /nfs/dbraw/zinc/24/75/09/561247509.db2.gz STLXOGJGVAKMKD-FQEVSTJZSA-N 2 2 372.513 2.104 20 30 FEEDLP C#CCOc1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000186798533 548195025 /nfs/dbraw/zinc/19/50/25/548195025.db2.gz IRESFNLPPMHNSW-UHFFFAOYSA-N 2 2 370.497 2.379 20 30 FEEDLP CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261931041 549771419 /nfs/dbraw/zinc/77/14/19/549771419.db2.gz BIOZPSMARGNFAK-MDZRGWNJSA-N 2 2 359.474 2.232 20 30 FEEDLP [NH2+]=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)Nc1ccc2c(c1)CCC2 ZINC000261976264 549776218 /nfs/dbraw/zinc/77/62/18/549776218.db2.gz GCNGDBUFAMWDQG-IBGZPJMESA-N 2 2 360.527 2.110 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NCCc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000264055185 549973147 /nfs/dbraw/zinc/97/31/47/549973147.db2.gz ANLWCHZQSDNZND-UHFFFAOYSA-N 2 2 353.426 2.227 20 30 FEEDLP C#CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000270370955 550266458 /nfs/dbraw/zinc/26/64/58/550266458.db2.gz TXUAMKFBRRQNAJ-HXUWFJFHSA-N 2 2 356.514 2.418 20 30 FEEDLP C#CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000270370955 550266460 /nfs/dbraw/zinc/26/64/60/550266460.db2.gz TXUAMKFBRRQNAJ-HXUWFJFHSA-N 2 2 356.514 2.418 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3cc(C#N)ccc3[N+](=O)[O-])CC2)CC1 ZINC000274219901 550528245 /nfs/dbraw/zinc/52/82/45/550528245.db2.gz BHBRIEAIQDDREZ-UHFFFAOYSA-N 2 2 357.458 2.461 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000279636938 550911053 /nfs/dbraw/zinc/91/10/53/550911053.db2.gz ZXHRDLMGAPJOFR-UHFFFAOYSA-N 2 2 354.498 2.271 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048487 551173690 /nfs/dbraw/zinc/17/36/90/551173690.db2.gz LWOKYWQXINSTFN-OXQOHEQNSA-N 2 2 357.502 2.453 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282048487 551173693 /nfs/dbraw/zinc/17/36/93/551173693.db2.gz LWOKYWQXINSTFN-OXQOHEQNSA-N 2 2 357.502 2.453 20 30 FEEDLP COC(=O)c1cnoc1CO[NH+]=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000285255071 551727459 /nfs/dbraw/zinc/72/74/59/551727459.db2.gz RZDLSTBGRBJCAZ-UHFFFAOYSA-N 2 2 372.425 2.284 20 30 FEEDLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968393 552775911 /nfs/dbraw/zinc/77/59/11/552775911.db2.gz MCTZXLJDKQMHFE-TZIWHRDSSA-N 2 2 352.482 2.471 20 30 FEEDLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968393 552775912 /nfs/dbraw/zinc/77/59/12/552775912.db2.gz MCTZXLJDKQMHFE-TZIWHRDSSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968393 552775913 /nfs/dbraw/zinc/77/59/13/552775913.db2.gz MCTZXLJDKQMHFE-TZIWHRDSSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968393 552775914 /nfs/dbraw/zinc/77/59/14/552775914.db2.gz MCTZXLJDKQMHFE-TZIWHRDSSA-N 2 2 352.482 2.471 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000296445049 553161346 /nfs/dbraw/zinc/16/13/46/553161346.db2.gz UXBYGAARLMFWET-UHFFFAOYSA-N 2 2 357.502 2.072 20 30 FEEDLP C#CC[N@H+](C)CCCNC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000296445049 553161347 /nfs/dbraw/zinc/16/13/47/553161347.db2.gz UXBYGAARLMFWET-UHFFFAOYSA-N 2 2 357.502 2.072 20 30 FEEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000311887788 553755592 /nfs/dbraw/zinc/75/55/92/553755592.db2.gz CRDGHTPDMHUDHT-XLIONFOSSA-N 2 2 353.466 2.408 20 30 FEEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000311887788 553755593 /nfs/dbraw/zinc/75/55/93/553755593.db2.gz CRDGHTPDMHUDHT-XLIONFOSSA-N 2 2 353.466 2.408 20 30 FEEDLP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+]1CCSCC1 ZINC000329209587 553902621 /nfs/dbraw/zinc/90/26/21/553902621.db2.gz YLRRMPRQZMKNAS-HLLBOEOZSA-N 2 2 365.547 2.197 20 30 FEEDLP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)[NH+]1CCSCC1 ZINC000329209587 553902622 /nfs/dbraw/zinc/90/26/22/553902622.db2.gz YLRRMPRQZMKNAS-HLLBOEOZSA-N 2 2 365.547 2.197 20 30 FEEDLP C[C@H](NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1)C(C)(C)C[NH+](C)C ZINC000331213022 554232062 /nfs/dbraw/zinc/23/20/62/554232062.db2.gz KWYGKMPOPZHFNT-LZWOXQAQSA-N 2 2 351.495 2.120 20 30 FEEDLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000510936419 561851673 /nfs/dbraw/zinc/85/16/73/561851673.db2.gz PFUMOKLNCFJWML-FUHWJXTLSA-N 2 2 358.461 2.093 20 30 FEEDLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(F)(C#N)CC1 ZINC000510936419 561851675 /nfs/dbraw/zinc/85/16/75/561851675.db2.gz PFUMOKLNCFJWML-FUHWJXTLSA-N 2 2 358.461 2.093 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)[NH+]1CCSCC1 ZINC000365391360 555561345 /nfs/dbraw/zinc/56/13/45/555561345.db2.gz FFRNWNYLLCXLPW-QGZVFWFLSA-N 2 2 372.538 2.098 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([N@H+]2C[C@H]3[C@@H](C[NH+]4CCCC[C@@H]34)C2)C1=O ZINC000370236649 556819011 /nfs/dbraw/zinc/81/90/11/556819011.db2.gz SXLOBHNUWGUWMO-QAETUUGQSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C[NH+]4CCCC[C@@H]34)C2)C1=O ZINC000370236649 556819014 /nfs/dbraw/zinc/81/90/14/556819014.db2.gz SXLOBHNUWGUWMO-QAETUUGQSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)C1=O ZINC000370236649 556819016 /nfs/dbraw/zinc/81/90/16/556819016.db2.gz SXLOBHNUWGUWMO-QAETUUGQSA-N 2 2 356.495 2.141 20 30 FEEDLP N#Cc1ccsc1N1CC[C@H]([NH+]2C[C@H]3[C@H](C2)C[N@H+]2CCCC[C@@H]32)C1=O ZINC000370236649 556819020 /nfs/dbraw/zinc/81/90/20/556819020.db2.gz SXLOBHNUWGUWMO-QAETUUGQSA-N 2 2 356.495 2.141 20 30 FEEDLP C#CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090855 557071863 /nfs/dbraw/zinc/07/18/63/557071863.db2.gz YRKSTNIIWZLDQM-QUCCMNQESA-N 2 2 354.498 2.219 20 30 FEEDLP C#CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371090855 557071867 /nfs/dbraw/zinc/07/18/67/557071867.db2.gz YRKSTNIIWZLDQM-QUCCMNQESA-N 2 2 354.498 2.219 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CC(=O)N4CCCC[C@H]34)CC2)cc1 ZINC000374503958 557892307 /nfs/dbraw/zinc/89/23/07/557892307.db2.gz KFNZNVQOYWRSRD-VQTJNVASSA-N 2 2 352.482 2.266 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375762098 558078746 /nfs/dbraw/zinc/07/87/46/558078746.db2.gz XRFZULNUPABUKH-OAQYLSRUSA-N 2 2 354.498 2.347 20 30 FEEDLP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375762098 558078747 /nfs/dbraw/zinc/07/87/47/558078747.db2.gz XRFZULNUPABUKH-OAQYLSRUSA-N 2 2 354.498 2.347 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000375762098 558078748 /nfs/dbraw/zinc/07/87/48/558078748.db2.gz XRFZULNUPABUKH-OAQYLSRUSA-N 2 2 354.498 2.347 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375762098 558078749 /nfs/dbraw/zinc/07/87/49/558078749.db2.gz XRFZULNUPABUKH-OAQYLSRUSA-N 2 2 354.498 2.347 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3csc(CC)n3)CC2)CC1 ZINC000377601359 558374997 /nfs/dbraw/zinc/37/49/97/558374997.db2.gz PUONLCVIRLKMLC-UHFFFAOYSA-N 2 2 374.554 2.085 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](Cc3csc(CC)n3)CC2)CC1 ZINC000377601359 558375000 /nfs/dbraw/zinc/37/50/00/558375000.db2.gz PUONLCVIRLKMLC-UHFFFAOYSA-N 2 2 374.554 2.085 20 30 FEEDLP N#CCCC[C@@H]([NH3+])C(=O)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC000424176443 559656695 /nfs/dbraw/zinc/65/66/95/559656695.db2.gz XTTRDRKIHLDPHZ-QGZVFWFLSA-N 2 2 351.454 2.032 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441388534 560031076 /nfs/dbraw/zinc/03/10/76/560031076.db2.gz RZOAWLDGNMUNCZ-FUHWJXTLSA-N 2 2 369.469 2.231 20 30 FEEDLP C=CC[C@H]1[N@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1(C)C ZINC000444781212 560120786 /nfs/dbraw/zinc/12/07/86/560120786.db2.gz GWUDMRXGYFJNST-QGZVFWFLSA-N 2 2 351.535 2.280 20 30 FEEDLP C=CC[C@H]1[N@@H+](CC(=O)NCC(C)(C)[NH+]2CCOCC2)CCCC1(C)C ZINC000444781212 560120787 /nfs/dbraw/zinc/12/07/87/560120787.db2.gz GWUDMRXGYFJNST-QGZVFWFLSA-N 2 2 351.535 2.280 20 30 FEEDLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459515319 560691204 /nfs/dbraw/zinc/69/12/04/560691204.db2.gz DLJPJMXUVSHAFU-UHFFFAOYSA-N 2 2 359.474 2.316 20 30 FEEDLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459515319 560691206 /nfs/dbraw/zinc/69/12/06/560691206.db2.gz DLJPJMXUVSHAFU-UHFFFAOYSA-N 2 2 359.474 2.316 20 30 FEEDLP C=CC[NH+]1CCC(Nc2cc(C[NH+]3CCOCC3)ccc2[N+](=O)[O-])CC1 ZINC000472358604 561025043 /nfs/dbraw/zinc/02/50/43/561025043.db2.gz HTLKPUFLMOSVES-UHFFFAOYSA-N 2 2 360.458 2.489 20 30 FEEDLP COc1ccc([C@@H](CNC(=O)C[NH2+][C@@H](C)CC#N)[NH+]2CCCCC2)cc1 ZINC000602864626 568008032 /nfs/dbraw/zinc/00/80/32/568008032.db2.gz TVRDVJFVZFNBAR-QFBILLFUSA-N 2 2 358.486 2.230 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(CC)s3)CC2)CC1 ZINC000128661515 672051509 /nfs/dbraw/zinc/05/15/09/672051509.db2.gz SNYMOKCZSCDCDH-UHFFFAOYSA-N 2 2 359.539 2.300 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCSC2(CCCCC2)C1 ZINC000261722754 672902324 /nfs/dbraw/zinc/90/23/24/672902324.db2.gz IORRJRRIDBPARG-UHFFFAOYSA-N 2 2 364.563 2.313 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594445835 673072706 /nfs/dbraw/zinc/07/27/06/673072706.db2.gz KYFZGEBVBMWIPH-IXDOHACOSA-N 2 2 350.413 2.237 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000594445835 673072708 /nfs/dbraw/zinc/07/27/08/673072708.db2.gz KYFZGEBVBMWIPH-IXDOHACOSA-N 2 2 350.413 2.237 20 30 FEEDLP C=CCCOCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000677290196 679674361 /nfs/dbraw/zinc/67/43/61/679674361.db2.gz IKAZLAGQQFEBBV-OALUTQOASA-N 2 2 351.535 2.375 20 30 FEEDLP C=CCCOCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000677290196 679674363 /nfs/dbraw/zinc/67/43/63/679674363.db2.gz IKAZLAGQQFEBBV-OALUTQOASA-N 2 2 351.535 2.375 20 30 FEEDLP C=C(Br)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001027417171 680356206 /nfs/dbraw/zinc/35/62/06/680356206.db2.gz WLLPTACIDSMAHK-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001027417171 680356209 /nfs/dbraw/zinc/35/62/09/680356209.db2.gz WLLPTACIDSMAHK-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027417171 680356210 /nfs/dbraw/zinc/35/62/10/680356210.db2.gz WLLPTACIDSMAHK-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001027417171 680356213 /nfs/dbraw/zinc/35/62/13/680356213.db2.gz WLLPTACIDSMAHK-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050381 681039812 /nfs/dbraw/zinc/03/98/12/681039812.db2.gz BAPPRNCXVDFRSN-QKPAOTATSA-N 2 2 370.335 2.158 20 30 FEEDLP C=C(Br)C[NH+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050381 681039813 /nfs/dbraw/zinc/03/98/13/681039813.db2.gz BAPPRNCXVDFRSN-QKPAOTATSA-N 2 2 370.335 2.158 20 30 FEEDLP C=C(Br)C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050381 681039816 /nfs/dbraw/zinc/03/98/16/681039816.db2.gz BAPPRNCXVDFRSN-QKPAOTATSA-N 2 2 370.335 2.158 20 30 FEEDLP C=C(Br)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001050050381 681039819 /nfs/dbraw/zinc/03/98/19/681039819.db2.gz BAPPRNCXVDFRSN-QKPAOTATSA-N 2 2 370.335 2.158 20 30 FEEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)Nc3cccnc3)cc2)CC1 ZINC000771555330 681059514 /nfs/dbraw/zinc/05/95/14/681059514.db2.gz JAAJHBKBSOBNQD-UHFFFAOYSA-N 2 2 354.483 2.154 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000862276551 683563508 /nfs/dbraw/zinc/56/35/08/683563508.db2.gz UCLKZWOFXHNNIJ-NVXWUHKLSA-N 2 2 353.507 2.251 20 30 FEEDLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1cccc(C#N)c1 ZINC000052580660 540474587 /nfs/dbraw/zinc/47/45/87/540474587.db2.gz SUEYRWVLCUMLQH-UHFFFAOYSA-N 2 2 368.506 2.396 20 30 FEEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1cccc(C#N)c1 ZINC000052580660 540474589 /nfs/dbraw/zinc/47/45/89/540474589.db2.gz SUEYRWVLCUMLQH-UHFFFAOYSA-N 2 2 368.506 2.396 20 30 FEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000068745005 541624413 /nfs/dbraw/zinc/62/44/13/541624413.db2.gz BUBLRSXFCVRTAX-UHFFFAOYSA-N 2 2 373.460 2.483 20 30 FEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cn4ccccc4[nH+]3)CC2)cc1 ZINC000068745005 541624416 /nfs/dbraw/zinc/62/44/16/541624416.db2.gz BUBLRSXFCVRTAX-UHFFFAOYSA-N 2 2 373.460 2.483 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160043855 546003325 /nfs/dbraw/zinc/00/33/25/546003325.db2.gz PZAJYZPLBYNNDX-INIZCTEOSA-N 2 2 373.501 2.020 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000160043855 546003330 /nfs/dbraw/zinc/00/33/30/546003330.db2.gz PZAJYZPLBYNNDX-INIZCTEOSA-N 2 2 373.501 2.020 20 30 FEEDLP COCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181674916 547357848 /nfs/dbraw/zinc/35/78/48/547357848.db2.gz GOBYJLMYPLTKQL-NRFANRHFSA-N 2 2 356.514 2.223 20 30 FEEDLP COCC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181674916 547357851 /nfs/dbraw/zinc/35/78/51/547357851.db2.gz GOBYJLMYPLTKQL-NRFANRHFSA-N 2 2 356.514 2.223 20 30 FEEDLP CC[N@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488703364 561394951 /nfs/dbraw/zinc/39/49/51/561394951.db2.gz VGMIDFKJPYZXJN-ZWKOTPCHSA-N 2 2 372.513 2.005 20 30 FEEDLP CC[N@@H+](C[C@@H](C)C#N)[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000488703364 561394952 /nfs/dbraw/zinc/39/49/52/561394952.db2.gz VGMIDFKJPYZXJN-ZWKOTPCHSA-N 2 2 372.513 2.005 20 30 FEEDLP C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248823805 549507735 /nfs/dbraw/zinc/50/77/35/549507735.db2.gz FXYSBLFRXXLCOB-MSOLQXFVSA-N 2 2 357.564 2.161 20 30 FEEDLP C=C(C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248823805 549507739 /nfs/dbraw/zinc/50/77/39/549507739.db2.gz FXYSBLFRXXLCOB-MSOLQXFVSA-N 2 2 357.564 2.161 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)NC1CCC(C(F)(F)F)CC1 ZINC000262777636 549848621 /nfs/dbraw/zinc/84/86/21/549848621.db2.gz KJBDYTBTMXJNTA-UHFFFAOYSA-N 2 2 360.428 2.272 20 30 FEEDLP CN(C)c1[nH+]cc(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)n1C ZINC000267409347 550031006 /nfs/dbraw/zinc/03/10/06/550031006.db2.gz HUVQHQXRQVFTLR-UHFFFAOYSA-N 2 2 354.380 2.109 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278776981 550820639 /nfs/dbraw/zinc/82/06/39/550820639.db2.gz CULQSVGZTDHUGY-HXUWFJFHSA-N 2 2 357.502 2.453 20 30 FEEDLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000289468307 552326208 /nfs/dbraw/zinc/32/62/08/552326208.db2.gz WTSZAVKTMNFHON-UHFFFAOYSA-N 2 2 364.449 2.421 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292195755 552703311 /nfs/dbraw/zinc/70/33/11/552703311.db2.gz RTXQMHXCAMAZKG-DYESRHJHSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292195755 552703313 /nfs/dbraw/zinc/70/33/13/552703313.db2.gz RTXQMHXCAMAZKG-DYESRHJHSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292195755 552703314 /nfs/dbraw/zinc/70/33/14/552703314.db2.gz RTXQMHXCAMAZKG-DYESRHJHSA-N 2 2 370.497 2.358 20 30 FEEDLP COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292195755 552703315 /nfs/dbraw/zinc/70/33/15/552703315.db2.gz RTXQMHXCAMAZKG-DYESRHJHSA-N 2 2 370.497 2.358 20 30 FEEDLP Cc1cc(NCC[NH2+]C[C@H](O)COc2ccc(C#N)cc2)nc(C(C)C)[nH+]1 ZINC000600764055 553312717 /nfs/dbraw/zinc/31/27/17/553312717.db2.gz WJKWYEARDZDISC-KRWDZBQOSA-N 2 2 369.469 2.222 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297634915 553318439 /nfs/dbraw/zinc/31/84/39/553318439.db2.gz MHSVKCLUQVOMDY-UHFFFAOYSA-N 2 2 351.454 2.119 20 30 FEEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000328823447 553827778 /nfs/dbraw/zinc/82/77/78/553827778.db2.gz GQVPTFZROGZTRP-INIZCTEOSA-N 2 2 355.442 2.022 20 30 FEEDLP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000329871157 554022556 /nfs/dbraw/zinc/02/25/56/554022556.db2.gz AMBFWJCDHDTCJJ-KZNAEPCWSA-N 2 2 359.518 2.421 20 30 FEEDLP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CCCC[C@H]1c1[nH]cc[nH+]1 ZINC000330245836 554092467 /nfs/dbraw/zinc/09/24/67/554092467.db2.gz XYJZIPNCZINPRX-IKGGRYGDSA-N 2 2 361.490 2.229 20 30 FEEDLP C=CCNC(=O)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889791 561849761 /nfs/dbraw/zinc/84/97/61/561849761.db2.gz ZKFQBEWSFQSCTE-UHFFFAOYSA-N 2 2 367.247 2.043 20 30 FEEDLP C=CCNC(=O)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889791 561849762 /nfs/dbraw/zinc/84/97/62/561849762.db2.gz ZKFQBEWSFQSCTE-UHFFFAOYSA-N 2 2 367.247 2.043 20 30 FEEDLP C[N@H+](CC(=O)NCc1cccc(C#N)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000369899265 556724626 /nfs/dbraw/zinc/72/46/26/556724626.db2.gz FSMAFXUKFYSPSG-UHFFFAOYSA-N 2 2 363.465 2.170 20 30 FEEDLP C[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CCN(c2cccc[nH+]2)CC1 ZINC000369899265 556724629 /nfs/dbraw/zinc/72/46/29/556724629.db2.gz FSMAFXUKFYSPSG-UHFFFAOYSA-N 2 2 363.465 2.170 20 30 FEEDLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000369904798 556726558 /nfs/dbraw/zinc/72/65/58/556726558.db2.gz QZALAFVRGRZVEO-UHFFFAOYSA-N 2 2 353.470 2.283 20 30 FEEDLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ncc(-c2ccc(C#N)cc2)o1 ZINC000369904798 556726559 /nfs/dbraw/zinc/72/65/59/556726559.db2.gz QZALAFVRGRZVEO-UHFFFAOYSA-N 2 2 353.470 2.283 20 30 FEEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[N@@H+]4CCCC[C@H]4CO3)CC2)cc1 ZINC000375896762 558095460 /nfs/dbraw/zinc/09/54/60/558095460.db2.gz ZUOBGTDPYJSCLF-SFTDATJTSA-N 2 2 354.498 2.370 20 30 FEEDLP N#Cc1ccc(N2CCC([NH2+]C[C@H]3C[N@H+]4CCCC[C@H]4CO3)CC2)cc1 ZINC000375896762 558095461 /nfs/dbraw/zinc/09/54/61/558095461.db2.gz ZUOBGTDPYJSCLF-SFTDATJTSA-N 2 2 354.498 2.370 20 30 FEEDLP C#Cc1ccccc1CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000377926535 558449056 /nfs/dbraw/zinc/44/90/56/558449056.db2.gz NGLFSTXSTHSKBF-UHFFFAOYSA-N 2 2 353.510 2.277 20 30 FEEDLP C=CCc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc(OC)c1O ZINC000378357235 558537931 /nfs/dbraw/zinc/53/79/31/558537931.db2.gz VIDZGUNZZZCOFR-LJQANCHMSA-N 2 2 359.514 2.341 20 30 FEEDLP C=C(C)[C@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)OCC ZINC000422021411 559561080 /nfs/dbraw/zinc/56/10/80/559561080.db2.gz NKAJNQKPSICVJX-IBGZPJMESA-N 2 2 351.535 2.376 20 30 FEEDLP C=C(C)[C@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)OCC ZINC000422021411 559561081 /nfs/dbraw/zinc/56/10/81/559561081.db2.gz NKAJNQKPSICVJX-IBGZPJMESA-N 2 2 351.535 2.376 20 30 FEEDLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(F)c3C#N)CC2)CC1 ZINC000428240585 559772054 /nfs/dbraw/zinc/77/20/54/559772054.db2.gz CFNBAPDXNVITKI-UHFFFAOYSA-N 2 2 372.488 2.464 20 30 FEEDLP C=CCN(CC=C)C(=O)CN(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691961 559928177 /nfs/dbraw/zinc/92/81/77/559928177.db2.gz NMDFRXZVVSDZQA-GOSISDBHSA-N 2 2 371.529 2.048 20 30 FEEDLP CC[NH+](CC)CC1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000611088883 676016691 /nfs/dbraw/zinc/01/66/91/676016691.db2.gz IZNWBGFXAREYGR-UHFFFAOYSA-N 2 2 363.527 2.386 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594445836 673072967 /nfs/dbraw/zinc/07/29/67/673072967.db2.gz KYFZGEBVBMWIPH-ULQDDVLXSA-N 2 2 350.413 2.237 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000594445836 673072973 /nfs/dbraw/zinc/07/29/73/673072973.db2.gz KYFZGEBVBMWIPH-ULQDDVLXSA-N 2 2 350.413 2.237 20 30 FEEDLP C=C(C)CONC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000845601519 681140604 /nfs/dbraw/zinc/14/06/04/681140604.db2.gz QLSVQZJCLZZKTL-MSOLQXFVSA-N 2 2 352.523 2.473 20 30 FEEDLP C=C(C)CONC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000845601519 681140605 /nfs/dbraw/zinc/14/06/05/681140605.db2.gz QLSVQZJCLZZKTL-MSOLQXFVSA-N 2 2 352.523 2.473 20 30 FEEDLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(C#N)cnc3Cl)ccn2)CC1 ZINC000876937583 686297802 /nfs/dbraw/zinc/29/78/02/686297802.db2.gz ZAIZZGOWKRHPMC-UHFFFAOYSA-N 2 2 356.861 2.043 20 30 FEEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518663 540261108 /nfs/dbraw/zinc/26/11/08/540261108.db2.gz CWXUIEBNJYXQBS-QGZVFWFLSA-N 2 2 363.465 2.122 20 30 FEEDLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518663 540261112 /nfs/dbraw/zinc/26/11/12/540261112.db2.gz CWXUIEBNJYXQBS-QGZVFWFLSA-N 2 2 363.465 2.122 20 30 FEEDLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccc(C#N)cc1 ZINC000052581222 540474929 /nfs/dbraw/zinc/47/49/29/540474929.db2.gz PISSZAYXVLOLCF-UHFFFAOYSA-N 2 2 368.506 2.396 20 30 FEEDLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1ccc(C#N)cc1 ZINC000052581222 540474931 /nfs/dbraw/zinc/47/49/31/540474931.db2.gz PISSZAYXVLOLCF-UHFFFAOYSA-N 2 2 368.506 2.396 20 30 FEEDLP C=C(Br)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066666900 541357555 /nfs/dbraw/zinc/35/75/55/541357555.db2.gz HZEYABMLDXHSPY-UHFFFAOYSA-N 2 2 358.324 2.161 20 30 FEEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000072719811 541858084 /nfs/dbraw/zinc/85/80/84/541858084.db2.gz QZEZPNFPIZKYKZ-QUCCMNQESA-N 2 2 352.482 2.471 20 30 FEEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000072719811 541858087 /nfs/dbraw/zinc/85/80/87/541858087.db2.gz QZEZPNFPIZKYKZ-QUCCMNQESA-N 2 2 352.482 2.471 20 30 FEEDLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000074917544 542136347 /nfs/dbraw/zinc/13/63/47/542136347.db2.gz OLZPRGCQKAKKKK-MRXNPFEDSA-N 2 2 357.502 2.287 20 30 FEEDLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(C#N)c1 ZINC000074917544 542136349 /nfs/dbraw/zinc/13/63/49/542136349.db2.gz OLZPRGCQKAKKKK-MRXNPFEDSA-N 2 2 357.502 2.287 20 30 FEEDLP CC[C@@H](c1nnc(SCCCC#N)n1CC[NH+]1CCOCC1)[NH+](C)C ZINC000078249385 542449276 /nfs/dbraw/zinc/44/92/76/542449276.db2.gz GOSJHCOVBMELQZ-HNNXBMFYSA-N 2 2 366.535 2.019 20 30 FEEDLP C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1cn2ccccc2[nH+]1 ZINC000102638405 543075524 /nfs/dbraw/zinc/07/55/24/543075524.db2.gz FHRXFRJKOUUQIR-UHFFFAOYSA-N 2 2 361.449 2.339 20 30 FEEDLP C=CCNC(=O)C[NH+]1CCN(CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000122238482 543705137 /nfs/dbraw/zinc/70/51/37/543705137.db2.gz ZBTNCGUWDGOXIB-UHFFFAOYSA-N 2 2 372.557 2.064 20 30 FEEDLP C=CCNC(=O)C[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000122238482 543705139 /nfs/dbraw/zinc/70/51/39/543705139.db2.gz ZBTNCGUWDGOXIB-UHFFFAOYSA-N 2 2 372.557 2.064 20 30 FEEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc(C)[nH+]c1C)C(C)C ZINC000154543573 544919583 /nfs/dbraw/zinc/91/95/83/544919583.db2.gz RLMPDMRGKKAGEV-SFHVURJKSA-N 2 2 358.486 2.452 20 30 FEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000090004048 325349428 /nfs/dbraw/zinc/34/94/28/325349428.db2.gz SLZNZTGHIPTQMN-KRWDZBQOSA-N 2 2 372.494 2.020 20 30 FEEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000090004048 325349431 /nfs/dbraw/zinc/34/94/31/325349431.db2.gz SLZNZTGHIPTQMN-KRWDZBQOSA-N 2 2 372.494 2.020 20 30 FEEDLP CC(C)Oc1ccc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1C#N ZINC000157812143 545787893 /nfs/dbraw/zinc/78/78/93/545787893.db2.gz JQIHAKPICZZOCL-UHFFFAOYSA-N 2 2 373.501 2.493 20 30 FEEDLP C=CCN(CCc1ccccc1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179280685 546925274 /nfs/dbraw/zinc/92/52/74/546925274.db2.gz OMGVJFPANMSHDJ-UHFFFAOYSA-N 2 2 358.530 2.453 20 30 FEEDLP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000181874929 547395878 /nfs/dbraw/zinc/39/58/78/547395878.db2.gz XLAWOZHRWUIVDQ-OAQYLSRUSA-N 3 2 358.530 2.469 20 30 FEEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(F)c3C#N)CC2)CC1 ZINC000485278911 561316219 /nfs/dbraw/zinc/31/62/19/561316219.db2.gz ZDQKZUMRBWSOIZ-UHFFFAOYSA-N 2 2 358.461 2.073 20 30 FEEDLP C[NH+]=C(NCc1nccn1C(F)F)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262007071 549779885 /nfs/dbraw/zinc/77/98/85/549779885.db2.gz VWAKUAHVORHJET-QWHCGFSZSA-N 2 2 351.405 2.133 20 30 FEEDLP C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262026504 549781223 /nfs/dbraw/zinc/78/12/23/549781223.db2.gz ZUNYXVCSLMMNFR-WBVHZDCISA-N 2 2 351.458 2.189 20 30 FEEDLP COc1ccc(CCNC(=[NH2+])NC[C@@H](c2ccco2)[NH+](C)C)cc1OC ZINC000264090300 549977841 /nfs/dbraw/zinc/97/78/41/549977841.db2.gz KVHPRXRPQWDXTJ-HNNXBMFYSA-N 2 2 360.458 2.047 20 30 FEEDLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 ZINC000266133345 550017928 /nfs/dbraw/zinc/01/79/28/550017928.db2.gz RRQPQTIRPTYOND-MRXNPFEDSA-N 2 2 358.486 2.404 20 30 FEEDLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C#N)cc3F)cc2)CC1 ZINC000269424329 550193804 /nfs/dbraw/zinc/19/38/04/550193804.db2.gz MVSIMUZHABEQCL-UHFFFAOYSA-N 2 2 366.440 2.375 20 30 FEEDLP Cc1[nH+]ccn1CC[NH+]1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000270639119 550291669 /nfs/dbraw/zinc/29/16/69/550291669.db2.gz IPIPCCJMRVNZPW-UHFFFAOYSA-N 2 2 352.398 2.133 20 30 FEEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCC2 ZINC000273738071 550509886 /nfs/dbraw/zinc/50/98/86/550509886.db2.gz LKLXJDXDVVFAFX-HNNXBMFYSA-N 2 2 350.470 2.411 20 30 FEEDLP CCNC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCC1 ZINC000277068787 550628369 /nfs/dbraw/zinc/62/83/69/550628369.db2.gz DSHPDUGSQAACQS-UHFFFAOYSA-N 2 2 354.498 2.419 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1 ZINC000291019432 552576744 /nfs/dbraw/zinc/57/67/44/552576744.db2.gz XHMFSGSJJSOAQQ-UHFFFAOYSA-N 2 2 357.458 2.461 20 30 FEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292075306 552691015 /nfs/dbraw/zinc/69/10/15/552691015.db2.gz DZGWVRHLKYBTAB-UZLBHIALSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292075306 552691016 /nfs/dbraw/zinc/69/10/16/552691016.db2.gz DZGWVRHLKYBTAB-UZLBHIALSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292075306 552691017 /nfs/dbraw/zinc/69/10/17/552691017.db2.gz DZGWVRHLKYBTAB-UZLBHIALSA-N 2 2 358.461 2.488 20 30 FEEDLP C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292075306 552691018 /nfs/dbraw/zinc/69/10/18/552691018.db2.gz DZGWVRHLKYBTAB-UZLBHIALSA-N 2 2 358.461 2.488 20 30 FEEDLP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@@H]1C ZINC000329456820 553950741 /nfs/dbraw/zinc/95/07/41/553950741.db2.gz NBWCGIASEDJZIM-ZOBUZTSGSA-N 2 2 363.506 2.216 20 30 FEEDLP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](c2[nH+]ccn2C)C2CCOCC2)C[C@@H]1C ZINC000329456820 553950743 /nfs/dbraw/zinc/95/07/43/553950743.db2.gz NBWCGIASEDJZIM-ZOBUZTSGSA-N 2 2 363.506 2.216 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853156 554892705 /nfs/dbraw/zinc/89/27/05/554892705.db2.gz XMHAXDUWPQXPPU-UYAOXDASSA-N 2 2 369.513 2.499 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)C2)CC1 ZINC000360853156 554892707 /nfs/dbraw/zinc/89/27/07/554892707.db2.gz XMHAXDUWPQXPPU-UYAOXDASSA-N 2 2 369.513 2.499 20 30 FEEDLP N#Cc1ccc(S(=O)(=O)CC[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000514599972 561969009 /nfs/dbraw/zinc/96/90/09/561969009.db2.gz SMUOWRWSWNMXFU-UHFFFAOYSA-N 2 2 361.511 2.329 20 30 FEEDLP C=CCC[C@H](CC)[NH2+]C[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC000369515484 556617328 /nfs/dbraw/zinc/61/73/28/556617328.db2.gz JPGWFMWGOHJXCJ-ROUUACIJSA-N 2 2 373.545 2.168 20 30 FEEDLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)CC1 ZINC000370342427 556845233 /nfs/dbraw/zinc/84/52/33/556845233.db2.gz VBJOHONANXEQIX-UHFFFAOYSA-N 2 2 366.513 2.196 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N(CCC#N)c1ccccc1 ZINC000371292720 557133852 /nfs/dbraw/zinc/13/38/52/557133852.db2.gz DEYZXXINOJDMGF-VAMGGRTRSA-N 2 2 370.497 2.117 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N(CCC#N)c1ccccc1 ZINC000371292720 557133854 /nfs/dbraw/zinc/13/38/54/557133854.db2.gz DEYZXXINOJDMGF-VAMGGRTRSA-N 2 2 370.497 2.117 20 30 FEEDLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000376842372 558228619 /nfs/dbraw/zinc/22/86/19/558228619.db2.gz MEDJEBLGJLTVIQ-CQSZACIVSA-N 2 2 369.494 2.106 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424178695 559656968 /nfs/dbraw/zinc/65/69/68/559656968.db2.gz XETFZSKUXOLPEK-JYJNAYRXSA-N 2 2 352.841 2.362 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424178695 559656969 /nfs/dbraw/zinc/65/69/69/559656969.db2.gz XETFZSKUXOLPEK-JYJNAYRXSA-N 2 2 352.841 2.362 20 30 FEEDLP C[NH+](C)CCCN(CCC#N)C(=O)c1ccc([N+](=O)[O-])c(-n2cc[nH+]c2)c1 ZINC000448798473 560200109 /nfs/dbraw/zinc/20/01/09/560200109.db2.gz HGTCIFVQFAAIPD-UHFFFAOYSA-N 2 2 370.413 2.088 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524153 560311914 /nfs/dbraw/zinc/31/19/14/560311914.db2.gz BQNBTJKJHGWQAE-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524153 560311915 /nfs/dbraw/zinc/31/19/15/560311915.db2.gz BQNBTJKJHGWQAE-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524153 560311916 /nfs/dbraw/zinc/31/19/16/560311916.db2.gz BQNBTJKJHGWQAE-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)CC1 ZINC000451524153 560311917 /nfs/dbraw/zinc/31/19/17/560311917.db2.gz BQNBTJKJHGWQAE-IBGZPJMESA-N 2 2 372.488 2.464 20 30 FEEDLP C=C(Br)CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000073886419 670509743 /nfs/dbraw/zinc/50/97/43/670509743.db2.gz RPERYKVPWIWHMV-UHFFFAOYSA-N 2 2 373.339 2.145 20 30 FEEDLP C=CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796816 540228002 /nfs/dbraw/zinc/22/80/02/540228002.db2.gz XTAYVHDEIMYQBS-FQEVSTJZSA-N 2 2 359.514 2.148 20 30 FEEDLP C=CC[NH+](CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796816 540228004 /nfs/dbraw/zinc/22/80/04/540228004.db2.gz XTAYVHDEIMYQBS-FQEVSTJZSA-N 2 2 359.514 2.148 20 30 FEEDLP C=CC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796816 540228005 /nfs/dbraw/zinc/22/80/05/540228005.db2.gz XTAYVHDEIMYQBS-FQEVSTJZSA-N 2 2 359.514 2.148 20 30 FEEDLP C=CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000045796816 540228007 /nfs/dbraw/zinc/22/80/07/540228007.db2.gz XTAYVHDEIMYQBS-FQEVSTJZSA-N 2 2 359.514 2.148 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868442 541886043 /nfs/dbraw/zinc/88/60/43/541886043.db2.gz UDJDLDANYMAGSH-ICSRJNTNSA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868442 541886048 /nfs/dbraw/zinc/88/60/48/541886048.db2.gz UDJDLDANYMAGSH-ICSRJNTNSA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868442 541886053 /nfs/dbraw/zinc/88/60/53/541886053.db2.gz UDJDLDANYMAGSH-ICSRJNTNSA-N 2 2 356.514 2.448 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868442 541886038 /nfs/dbraw/zinc/88/60/38/541886038.db2.gz UDJDLDANYMAGSH-ICSRJNTNSA-N 2 2 356.514 2.448 20 30 FEEDLP C=CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000089120988 542758200 /nfs/dbraw/zinc/75/82/00/542758200.db2.gz LBLFCQASIZEZPH-UHFFFAOYSA-N 2 2 360.458 2.183 20 30 FEEDLP C=CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cccc([N+](=O)[O-])c1 ZINC000089120988 542758201 /nfs/dbraw/zinc/75/82/01/542758201.db2.gz LBLFCQASIZEZPH-UHFFFAOYSA-N 2 2 360.458 2.183 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000139058463 544399491 /nfs/dbraw/zinc/39/94/91/544399491.db2.gz JFOLMXKSHWQRCL-KRWDZBQOSA-N 2 2 359.518 2.425 20 30 FEEDLP C[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247556691 549356616 /nfs/dbraw/zinc/35/66/16/549356616.db2.gz QJZFLFPQOUIYHE-WIYYLYMNSA-N 2 2 354.498 2.249 20 30 FEEDLP C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247556691 549356620 /nfs/dbraw/zinc/35/66/20/549356620.db2.gz QJZFLFPQOUIYHE-WIYYLYMNSA-N 2 2 354.498 2.249 20 30 FEEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247556691 549356625 /nfs/dbraw/zinc/35/66/25/549356625.db2.gz QJZFLFPQOUIYHE-WIYYLYMNSA-N 2 2 354.498 2.249 20 30 FEEDLP C[NH+](CC(=O)N[C@](C)(C#N)C1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247556691 549356629 /nfs/dbraw/zinc/35/66/29/549356629.db2.gz QJZFLFPQOUIYHE-WIYYLYMNSA-N 2 2 354.498 2.249 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571830 547515178 /nfs/dbraw/zinc/51/51/78/547515178.db2.gz APIWIKDRJDTLOB-GURQWTFNSA-N 2 2 362.562 2.042 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571830 547515182 /nfs/dbraw/zinc/51/51/82/547515182.db2.gz APIWIKDRJDTLOB-GURQWTFNSA-N 2 2 362.562 2.042 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182571830 547515184 /nfs/dbraw/zinc/51/51/84/547515184.db2.gz APIWIKDRJDTLOB-GURQWTFNSA-N 2 2 362.562 2.042 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182571830 547515187 /nfs/dbraw/zinc/51/51/87/547515187.db2.gz APIWIKDRJDTLOB-GURQWTFNSA-N 2 2 362.562 2.042 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188280261 548276931 /nfs/dbraw/zinc/27/69/31/548276931.db2.gz IPHANNYXEZEVEJ-SIKLNZKXSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188280261 548276935 /nfs/dbraw/zinc/27/69/35/548276935.db2.gz IPHANNYXEZEVEJ-SIKLNZKXSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188280261 548276939 /nfs/dbraw/zinc/27/69/39/548276939.db2.gz IPHANNYXEZEVEJ-SIKLNZKXSA-N 2 2 373.541 2.368 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188280261 548276943 /nfs/dbraw/zinc/27/69/43/548276943.db2.gz IPHANNYXEZEVEJ-SIKLNZKXSA-N 2 2 373.541 2.368 20 30 FEEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245453214 548925061 /nfs/dbraw/zinc/92/50/61/548925061.db2.gz QZEZPNFPIZKYKZ-AZUAARDMSA-N 2 2 352.482 2.471 20 30 FEEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245453214 548925062 /nfs/dbraw/zinc/92/50/62/548925062.db2.gz QZEZPNFPIZKYKZ-AZUAARDMSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000489763963 561418508 /nfs/dbraw/zinc/41/85/08/561418508.db2.gz VTNMRYINMIVPSE-PMACEKPBSA-N 2 2 369.513 2.258 20 30 FEEDLP C[NH+]=C(NC[C@@H](c1cccs1)[NH+](C)C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262437146 549819382 /nfs/dbraw/zinc/81/93/82/549819382.db2.gz GOZVRCWPNNFGBD-ZBFHGGJFSA-N 2 2 360.531 2.149 20 30 FEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N[C@H]1CCN(c2ccccc2)C1 ZINC000262783771 549849096 /nfs/dbraw/zinc/84/90/96/549849096.db2.gz MJYLVVYGJWBTGY-INIZCTEOSA-N 2 2 352.486 2.163 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)Nc2cc(C[NH+]3CCOCC3)ccc2C)CC1 ZINC000265656211 550013285 /nfs/dbraw/zinc/01/32/85/550013285.db2.gz YSHRCMHCWSOCFZ-UHFFFAOYSA-N 2 2 355.482 2.111 20 30 FEEDLP C#CCOc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000266471551 550021120 /nfs/dbraw/zinc/02/11/20/550021120.db2.gz VASDHTYTBQGFNQ-UHFFFAOYSA-N 2 2 358.486 2.188 20 30 FEEDLP C#CCOc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000266471551 550021122 /nfs/dbraw/zinc/02/11/22/550021122.db2.gz VASDHTYTBQGFNQ-UHFFFAOYSA-N 2 2 358.486 2.188 20 30 FEEDLP Cc1ccccc1CNC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000266999936 550026442 /nfs/dbraw/zinc/02/64/42/550026442.db2.gz GOPGMVIDOHNPOJ-UHFFFAOYSA-N 2 2 354.454 2.010 20 30 FEEDLP C[C@H](C1CC1)N(C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000267132661 550027729 /nfs/dbraw/zinc/02/77/29/550027729.db2.gz FBCCLFFFBDWPQQ-CQSZACIVSA-N 2 2 358.486 2.175 20 30 FEEDLP COC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000271818889 550403821 /nfs/dbraw/zinc/40/38/21/550403821.db2.gz BYFSWYPEGODLAZ-UHFFFAOYSA-N 2 2 356.470 2.343 20 30 FEEDLP CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000284343596 551528228 /nfs/dbraw/zinc/52/82/28/551528228.db2.gz MYOWPXBHSMWAOX-PMACEKPBSA-N 2 2 359.514 2.270 20 30 FEEDLP C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000288134328 552097218 /nfs/dbraw/zinc/09/72/18/552097218.db2.gz LAZMPRMPETVTKK-HXUWFJFHSA-N 2 2 370.541 2.288 20 30 FEEDLP C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000288134328 552097220 /nfs/dbraw/zinc/09/72/20/552097220.db2.gz LAZMPRMPETVTKK-HXUWFJFHSA-N 2 2 370.541 2.288 20 30 FEEDLP C#CCNC(=O)CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000293755682 552853160 /nfs/dbraw/zinc/85/31/60/552853160.db2.gz JKZOGEXLAFDWRP-UHFFFAOYSA-N 2 2 368.481 2.314 20 30 FEEDLP C#CCNC(=O)CC[N@H+](CCCn1cc[nH+]c1)Cc1ccc(OCC)cc1 ZINC000293755682 552853162 /nfs/dbraw/zinc/85/31/62/552853162.db2.gz JKZOGEXLAFDWRP-UHFFFAOYSA-N 2 2 368.481 2.314 20 30 FEEDLP CC[NH+](CC)Cc1ccc(C(=O)N(CCC#N)CC[NH+]2CCOCC2)cc1 ZINC000299553484 553580312 /nfs/dbraw/zinc/58/03/12/553580312.db2.gz TXJUSRPWCGNEJC-UHFFFAOYSA-N 2 2 372.513 2.216 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(CC(=O)Nc3nccs3)CC2)CC1 ZINC000328604361 553795250 /nfs/dbraw/zinc/79/52/50/553795250.db2.gz INVXSUIRIJVMOH-UHFFFAOYSA-N 2 2 351.520 2.222 20 30 FEEDLP C[N@@H+]1CCO[C@H](C(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000329914205 554030073 /nfs/dbraw/zinc/03/00/73/554030073.db2.gz XTJDQFJSJQZINU-INIZCTEOSA-N 2 2 353.507 2.087 20 30 FEEDLP C[N@H+]1CCO[C@H](C(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000329914205 554030080 /nfs/dbraw/zinc/03/00/80/554030080.db2.gz XTJDQFJSJQZINU-INIZCTEOSA-N 2 2 353.507 2.087 20 30 FEEDLP C[NH+]1CCO[C@H](C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000329914205 554030086 /nfs/dbraw/zinc/03/00/86/554030086.db2.gz XTJDQFJSJQZINU-INIZCTEOSA-N 2 2 353.507 2.087 20 30 FEEDLP C[NH+]1CCO[C@H](C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000329914205 554030090 /nfs/dbraw/zinc/03/00/90/554030090.db2.gz XTJDQFJSJQZINU-INIZCTEOSA-N 2 2 353.507 2.087 20 30 FEEDLP CCN1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000330000972 554047416 /nfs/dbraw/zinc/04/74/16/554047416.db2.gz XIXYEFPYWKKMBU-OFLPRAFFSA-N 2 2 362.522 2.123 20 30 FEEDLP CCc1nnc(C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)[nH]1 ZINC000330128535 554070253 /nfs/dbraw/zinc/07/02/53/554070253.db2.gz NRRBTRLHTWQYGV-UHFFFAOYSA-N 2 2 360.506 2.130 20 30 FEEDLP CCc1n[nH]c(C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000330128535 554070256 /nfs/dbraw/zinc/07/02/56/554070256.db2.gz NRRBTRLHTWQYGV-UHFFFAOYSA-N 2 2 360.506 2.130 20 30 FEEDLP CCc1nc(C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n[nH]1 ZINC000330128535 554070259 /nfs/dbraw/zinc/07/02/59/554070259.db2.gz NRRBTRLHTWQYGV-UHFFFAOYSA-N 2 2 360.506 2.130 20 30 FEEDLP N#CCCN(C(=O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000360925873 554895303 /nfs/dbraw/zinc/89/53/03/554895303.db2.gz HQHKOEAWDBZGNQ-RLLQIKCJSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000360925873 554895304 /nfs/dbraw/zinc/89/53/04/554895304.db2.gz HQHKOEAWDBZGNQ-RLLQIKCJSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000360925873 554895306 /nfs/dbraw/zinc/89/53/06/554895306.db2.gz HQHKOEAWDBZGNQ-RLLQIKCJSA-N 2 2 352.482 2.349 20 30 FEEDLP N#CCCN(C(=O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000360925873 554895307 /nfs/dbraw/zinc/89/53/07/554895307.db2.gz HQHKOEAWDBZGNQ-RLLQIKCJSA-N 2 2 352.482 2.349 20 30 FEEDLP C=CCN(CC=C)C(=O)C[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364033323 555237087 /nfs/dbraw/zinc/23/70/87/555237087.db2.gz LNQNJZCJTAUOKQ-UHFFFAOYSA-N 2 2 356.514 2.221 20 30 FEEDLP C=CCN(CC=C)C(=O)C[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364033323 555237088 /nfs/dbraw/zinc/23/70/88/555237088.db2.gz LNQNJZCJTAUOKQ-UHFFFAOYSA-N 2 2 356.514 2.221 20 30 FEEDLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(C#N)cc1Cl ZINC000366013880 555727190 /nfs/dbraw/zinc/72/71/90/555727190.db2.gz YNCDNSXYRWUETR-NVXWUHKLSA-N 2 2 362.905 2.269 20 30 FEEDLP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCc2[nH+]c[nH]c21 ZINC000368455902 556314771 /nfs/dbraw/zinc/31/47/71/556314771.db2.gz VGYQHNWPJWWCRD-KRWDZBQOSA-N 2 2 351.454 2.292 20 30 FEEDLP C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000368618055 556364459 /nfs/dbraw/zinc/36/44/59/556364459.db2.gz ISBQBQMEHKIKDA-SFHVURJKSA-N 2 2 372.513 2.219 20 30 FEEDLP C=CCOc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1 ZINC000368618055 556364461 /nfs/dbraw/zinc/36/44/61/556364461.db2.gz ISBQBQMEHKIKDA-SFHVURJKSA-N 2 2 372.513 2.219 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371196361 557104266 /nfs/dbraw/zinc/10/42/66/557104266.db2.gz RYCRRRQRIUGHCX-FQEVSTJZSA-N 2 2 354.498 2.372 20 30 FEEDLP N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000371196361 557104268 /nfs/dbraw/zinc/10/42/68/557104268.db2.gz RYCRRRQRIUGHCX-FQEVSTJZSA-N 2 2 354.498 2.372 20 30 FEEDLP CC1CC[NH+](CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000371527412 557210766 /nfs/dbraw/zinc/21/07/66/557210766.db2.gz HRJOGRSQPBKCGH-UHFFFAOYSA-N 2 2 354.498 2.393 20 30 FEEDLP CCC[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)CC1 ZINC000374004503 557805498 /nfs/dbraw/zinc/80/54/98/557805498.db2.gz XPCIJBTZKWJPFA-UHFFFAOYSA-N 2 2 357.458 2.463 20 30 FEEDLP Clc1cccc(C#CC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)c1 ZINC000375331847 558010287 /nfs/dbraw/zinc/01/02/87/558010287.db2.gz ACYMHUDKDQISKN-UHFFFAOYSA-N 2 2 361.917 2.031 20 30 FEEDLP Clc1cccc(C#CC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)c1 ZINC000375331847 558010288 /nfs/dbraw/zinc/01/02/88/558010288.db2.gz ACYMHUDKDQISKN-UHFFFAOYSA-N 2 2 361.917 2.031 20 30 FEEDLP N#CC1(NC(=O)C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000375739669 558075468 /nfs/dbraw/zinc/07/54/68/558075468.db2.gz BKXZWLPLGQMICC-HXUWFJFHSA-N 2 2 352.482 2.147 20 30 FEEDLP N#CC1(NC(=O)C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000375739669 558075469 /nfs/dbraw/zinc/07/54/69/558075469.db2.gz BKXZWLPLGQMICC-HXUWFJFHSA-N 2 2 352.482 2.147 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000375739669 558075471 /nfs/dbraw/zinc/07/54/71/558075471.db2.gz BKXZWLPLGQMICC-HXUWFJFHSA-N 2 2 352.482 2.147 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000375739669 558075473 /nfs/dbraw/zinc/07/54/73/558075473.db2.gz BKXZWLPLGQMICC-HXUWFJFHSA-N 2 2 352.482 2.147 20 30 FEEDLP C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376066729 558122044 /nfs/dbraw/zinc/12/20/44/558122044.db2.gz KDLHNZKGJLNAFK-AWEZNQCLSA-N 2 2 360.889 2.452 20 30 FEEDLP C[C@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376066729 558122046 /nfs/dbraw/zinc/12/20/46/558122046.db2.gz KDLHNZKGJLNAFK-AWEZNQCLSA-N 2 2 360.889 2.452 20 30 FEEDLP C=C(C)[C@@H](CC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1)OCC ZINC000422021412 559561119 /nfs/dbraw/zinc/56/11/19/559561119.db2.gz NKAJNQKPSICVJX-LJQANCHMSA-N 2 2 351.535 2.376 20 30 FEEDLP C=C(C)[C@@H](CC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1)OCC ZINC000422021412 559561120 /nfs/dbraw/zinc/56/11/20/559561120.db2.gz NKAJNQKPSICVJX-LJQANCHMSA-N 2 2 351.535 2.376 20 30 FEEDLP Cc1cc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c(C#N)c[nH+]1 ZINC000425217895 559691861 /nfs/dbraw/zinc/69/18/61/559691861.db2.gz WMLANMRIBFYPQS-UHFFFAOYSA-N 2 2 357.502 2.182 20 30 FEEDLP C[C@@H](NC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)(C)C[NH+](C)C ZINC000443244482 560076240 /nfs/dbraw/zinc/07/62/40/560076240.db2.gz OZHYVLVLXVFCBK-QGZVFWFLSA-N 2 2 371.529 2.362 20 30 FEEDLP C[NH+]1CCC(CNc2ncc(C#N)cc2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000450355724 560259502 /nfs/dbraw/zinc/25/95/02/560259502.db2.gz DLAZIAYSFRIGHJ-UHFFFAOYSA-N 2 2 358.446 2.224 20 30 FEEDLP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602950095 568020219 /nfs/dbraw/zinc/02/02/19/568020219.db2.gz IJPKTVRDIDVPFW-IBGZPJMESA-N 2 2 357.498 2.443 20 30 FEEDLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(c3ccsc3C#N)CC2)cc1 ZINC000595902080 673336852 /nfs/dbraw/zinc/33/68/52/673336852.db2.gz GFURDXWWFJHKAU-INIZCTEOSA-N 2 2 356.495 2.493 20 30 FEEDLP C=CCOc1c(Cl)cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000623372839 676531542 /nfs/dbraw/zinc/53/15/42/676531542.db2.gz IVUUZDKHNJVMKA-OAHLLOKOSA-N 2 2 354.878 2.460 20 30 FEEDLP C=CC[NH+]1CCC([NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638524825 677146094 /nfs/dbraw/zinc/14/60/94/677146094.db2.gz SQLUZWRKCUGDBB-UHFFFAOYSA-N 2 2 350.264 2.232 20 30 FEEDLP N#Cc1ccc(Br)c(C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000921585914 683510866 /nfs/dbraw/zinc/51/08/66/683510866.db2.gz ICKFPXBVPFSQBZ-UHFFFAOYSA-N 2 2 352.276 2.257 20 30 FEEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000876755771 686261627 /nfs/dbraw/zinc/26/16/27/686261627.db2.gz WPCOFCSUYCNAAQ-PBHICJAKSA-N 2 2 351.878 2.370 20 30 FEEDLP C#CCSCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000889906557 688848116 /nfs/dbraw/zinc/84/81/16/688848116.db2.gz GIRUTZHBTKMCDS-ROUUACIJSA-N 2 2 351.560 2.148 20 30 FEEDLP C#CCSCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000889906557 688848120 /nfs/dbraw/zinc/84/81/20/688848120.db2.gz GIRUTZHBTKMCDS-ROUUACIJSA-N 2 2 351.560 2.148 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006002 542623272 /nfs/dbraw/zinc/62/32/72/542623272.db2.gz MVGAFLKHQQSYJJ-NRFANRHFSA-N 2 2 371.529 2.075 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006002 542623278 /nfs/dbraw/zinc/62/32/78/542623278.db2.gz MVGAFLKHQQSYJJ-NRFANRHFSA-N 2 2 371.529 2.075 20 30 FEEDLP N#CCC[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000090665462 542788641 /nfs/dbraw/zinc/78/86/41/542788641.db2.gz VYEGRYLOLRZLJH-NRFANRHFSA-N 2 2 356.514 2.418 20 30 FEEDLP N#CCC[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccccc1 ZINC000090665462 542788643 /nfs/dbraw/zinc/78/86/43/542788643.db2.gz VYEGRYLOLRZLJH-NRFANRHFSA-N 2 2 356.514 2.418 20 30 FEEDLP CN(C(=O)c1ccnc(C#N)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000193679213 328389332 /nfs/dbraw/zinc/38/93/32/328389332.db2.gz PHNZJKQEKNBZPK-PMACEKPBSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccnc(C#N)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000193679213 328389333 /nfs/dbraw/zinc/38/93/33/328389333.db2.gz PHNZJKQEKNBZPK-PMACEKPBSA-N 2 2 369.513 2.362 20 30 FEEDLP Cn1cc[nH+]c1CC1CC[NH+](CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000176233736 546422872 /nfs/dbraw/zinc/42/28/72/546422872.db2.gz SWIANAYZFSRPRV-UHFFFAOYSA-N 2 2 372.494 2.020 20 30 FEEDLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)CC1 ZINC000177491712 546630228 /nfs/dbraw/zinc/63/02/28/546630228.db2.gz GUXZKQSGVKLJKN-MRXNPFEDSA-N 2 2 358.486 2.364 20 30 FEEDLP C[C@H](C#N)Oc1ccccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000180014690 547039581 /nfs/dbraw/zinc/03/95/81/547039581.db2.gz PCDGJHDWELOOQS-OAHLLOKOSA-N 2 2 359.474 2.125 20 30 FEEDLP C[N@@H+]1CCCN(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181704561 547363353 /nfs/dbraw/zinc/36/33/53/547363353.db2.gz HBFMHLVKUUOXNG-UHFFFAOYSA-N 3 2 369.557 2.140 20 30 FEEDLP C[N@H+]1CCCN(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181704561 547363357 /nfs/dbraw/zinc/36/33/57/547363357.db2.gz HBFMHLVKUUOXNG-UHFFFAOYSA-N 3 2 369.557 2.140 20 30 FEEDLP C[NH+](C)C1CCN(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181856669 547391919 /nfs/dbraw/zinc/39/19/19/547391919.db2.gz SYOWZRFARHKCLB-UHFFFAOYSA-N 3 2 369.557 2.138 20 30 FEEDLP N#Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245453215 548925420 /nfs/dbraw/zinc/92/54/20/548925420.db2.gz QZEZPNFPIZKYKZ-ICSRJNTNSA-N 2 2 352.482 2.471 20 30 FEEDLP N#Cc1ccc(N2CC[C@H]([N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000245453215 548925425 /nfs/dbraw/zinc/92/54/25/548925425.db2.gz QZEZPNFPIZKYKZ-ICSRJNTNSA-N 2 2 352.482 2.471 20 30 FEEDLP N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000245533024 548940956 /nfs/dbraw/zinc/94/09/56/548940956.db2.gz UXGSFROGCODYRI-AZUAARDMSA-N 2 2 352.482 2.471 20 30 FEEDLP N#Cc1ccc(N2CCC[C@@H]([N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2=O)cc1 ZINC000245533024 548940961 /nfs/dbraw/zinc/94/09/61/548940961.db2.gz UXGSFROGCODYRI-AZUAARDMSA-N 2 2 352.482 2.471 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000252736475 549678565 /nfs/dbraw/zinc/67/85/65/549678565.db2.gz VQTZYKUKMUBYEY-RTBURBONSA-N 2 2 361.436 2.171 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000252736475 549678567 /nfs/dbraw/zinc/67/85/67/549678567.db2.gz VQTZYKUKMUBYEY-RTBURBONSA-N 2 2 361.436 2.171 20 30 FEEDLP CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261995300 549778215 /nfs/dbraw/zinc/77/82/15/549778215.db2.gz SFVAGTFEMFHHRU-DNVCBOLYSA-N 2 2 371.533 2.400 20 30 FEEDLP C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262014484 549780605 /nfs/dbraw/zinc/78/06/05/549780605.db2.gz XKYQYUQAVIWUGO-WBVHZDCISA-N 2 2 355.490 2.074 20 30 FEEDLP C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000262026502 549781619 /nfs/dbraw/zinc/78/16/19/549781619.db2.gz ZUNYXVCSLMMNFR-RDJZCZTQSA-N 2 2 351.458 2.189 20 30 FEEDLP C[NH+]=C(NC[C@H](c1cccs1)[NH+](C)C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262437133 549819392 /nfs/dbraw/zinc/81/93/92/549819392.db2.gz GOZVRCWPNNFGBD-GOEBONIOSA-N 2 2 360.531 2.149 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NC[C@H](c2ccccc2)[NH+](C)C)cc1OC ZINC000264093305 549978595 /nfs/dbraw/zinc/97/85/95/549978595.db2.gz LKUTZZKTDLRDMW-QGZVFWFLSA-N 2 2 356.470 2.411 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NC[C@@H](c2cccs2)[NH+](C)C)cc1OC ZINC000264121031 549981157 /nfs/dbraw/zinc/98/11/57/549981157.db2.gz QZMHKGCDELAYBV-AWEZNQCLSA-N 2 2 362.499 2.473 20 30 FEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCC(=O)N2CCc3sccc3C2)cc1 ZINC000267024883 550026575 /nfs/dbraw/zinc/02/65/75/550026575.db2.gz SDTIZXQJIYIHHX-UHFFFAOYSA-N 2 2 372.494 2.032 20 30 FEEDLP CN(Cc1ccccc1)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267026020 550026997 /nfs/dbraw/zinc/02/69/97/550026997.db2.gz TTZWVZRWLKFAFD-UHFFFAOYSA-N 2 2 354.454 2.044 20 30 FEEDLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000280624700 551014689 /nfs/dbraw/zinc/01/46/89/551014689.db2.gz PTNFGPGHRGPNEB-UHFFFAOYSA-N 2 2 363.412 2.317 20 30 FEEDLP C[C@H](Cn1cc[nH+]c1)Nc1nc(N[C@@H](C)Cn2cc[nH+]c2)ccc1C#N ZINC000290471709 552484283 /nfs/dbraw/zinc/48/42/83/552484283.db2.gz GQRXJYUBQXKLIV-LSDHHAIUSA-N 2 2 350.430 2.347 20 30 FEEDLP C#CCNC(=O)CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1OCC ZINC000292677570 552748534 /nfs/dbraw/zinc/74/85/34/552748534.db2.gz BORRPTZIILSMEG-UHFFFAOYSA-N 2 2 368.481 2.314 20 30 FEEDLP CC[NH+]1CCC(N2CC(=O)C(=C3N(C)c4ccccc4N3C)C2=[NH2+])CC1 ZINC000298282204 553407853 /nfs/dbraw/zinc/40/78/53/553407853.db2.gz ATSWSNZATMRUDL-UHFFFAOYSA-N 2 2 353.470 2.130 20 30 FEEDLP CC1(C)C[N@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)CCO1 ZINC000328613698 553796160 /nfs/dbraw/zinc/79/61/60/553796160.db2.gz QOJJAAKSTBIKHB-GOSISDBHSA-N 2 2 366.550 2.398 20 30 FEEDLP CC1(C)C[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)CCO1 ZINC000328613698 553796162 /nfs/dbraw/zinc/79/61/62/553796162.db2.gz QOJJAAKSTBIKHB-GOSISDBHSA-N 2 2 366.550 2.398 20 30 FEEDLP CC1(C)C[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000328613698 553796166 /nfs/dbraw/zinc/79/61/66/553796166.db2.gz QOJJAAKSTBIKHB-GOSISDBHSA-N 2 2 366.550 2.398 20 30 FEEDLP CC1(C)C[NH+](CCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CCO1 ZINC000328613698 553796168 /nfs/dbraw/zinc/79/61/68/553796168.db2.gz QOJJAAKSTBIKHB-GOSISDBHSA-N 2 2 366.550 2.398 20 30 FEEDLP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329259298 553912911 /nfs/dbraw/zinc/91/29/11/553912911.db2.gz AFFQPYPZMJLUTN-HYVNUMGLSA-N 2 2 363.506 2.074 20 30 FEEDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H](c1[nH+]ccn1C)C1CCOCC1 ZINC000329259298 553912913 /nfs/dbraw/zinc/91/29/13/553912913.db2.gz AFFQPYPZMJLUTN-HYVNUMGLSA-N 2 2 363.506 2.074 20 30 FEEDLP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000329474310 553953228 /nfs/dbraw/zinc/95/32/28/553953228.db2.gz SSVDNCUVIHFMTH-BEFAXECRSA-N 2 2 354.454 2.169 20 30 FEEDLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000329957199 554038740 /nfs/dbraw/zinc/03/87/40/554038740.db2.gz QAPQEUJQPDCZAA-WCVJEAGWSA-N 2 2 351.470 2.162 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364898747 555430111 /nfs/dbraw/zinc/43/01/11/555430111.db2.gz WNJKMTRCFIRMQG-PBHICJAKSA-N 2 2 363.531 2.014 20 30 FEEDLP CCN(CCC#N)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364898747 555430113 /nfs/dbraw/zinc/43/01/13/555430113.db2.gz WNJKMTRCFIRMQG-PBHICJAKSA-N 2 2 363.531 2.014 20 30 FEEDLP CCc1nnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)c1CC ZINC000367460623 556056295 /nfs/dbraw/zinc/05/62/95/556056295.db2.gz FZEOHXCCQNLQOU-HNNXBMFYSA-N 2 2 356.518 2.078 20 30 FEEDLP CCc1nnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c(C#N)c1CC ZINC000367460623 556056297 /nfs/dbraw/zinc/05/62/97/556056297.db2.gz FZEOHXCCQNLQOU-HNNXBMFYSA-N 2 2 356.518 2.078 20 30 FEEDLP C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000367929876 556174998 /nfs/dbraw/zinc/17/49/98/556174998.db2.gz JGFZIHIZGQZEAN-KRWDZBQOSA-N 2 2 360.502 2.188 20 30 FEEDLP C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000367929876 556174999 /nfs/dbraw/zinc/17/49/99/556174999.db2.gz JGFZIHIZGQZEAN-KRWDZBQOSA-N 2 2 360.502 2.188 20 30 FEEDLP C[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000369108019 556507324 /nfs/dbraw/zinc/50/73/24/556507324.db2.gz YSRSNTRWDDPZMC-AOCRQIFASA-N 2 2 361.534 2.126 20 30 FEEDLP C[C@H]1CN(C(=O)NCC2CCC(C#N)CC2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000369108019 556507326 /nfs/dbraw/zinc/50/73/26/556507326.db2.gz YSRSNTRWDDPZMC-AOCRQIFASA-N 2 2 361.534 2.126 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CC(=O)N(CCC#N)c1ccccc1 ZINC000371292717 557133868 /nfs/dbraw/zinc/13/38/68/557133868.db2.gz DEYZXXINOJDMGF-AABGKKOBSA-N 2 2 370.497 2.117 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC(=O)N(CCC#N)c1ccccc1 ZINC000371292717 557133869 /nfs/dbraw/zinc/13/38/69/557133869.db2.gz DEYZXXINOJDMGF-AABGKKOBSA-N 2 2 370.497 2.117 20 30 FEEDLP C=CCSCCNC(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422155628 559568408 /nfs/dbraw/zinc/56/84/08/559568408.db2.gz JGAGTJMUPLVYAY-UHFFFAOYSA-N 2 2 354.564 2.107 20 30 FEEDLP C=CCSCCNC(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422155628 559568409 /nfs/dbraw/zinc/56/84/09/559568409.db2.gz JGAGTJMUPLVYAY-UHFFFAOYSA-N 2 2 354.564 2.107 20 30 FEEDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330327 559877175 /nfs/dbraw/zinc/87/71/75/559877175.db2.gz BDXHNURMJUMZLV-LJQANCHMSA-N 2 2 368.485 2.059 20 30 FEEDLP COCC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433330327 559877176 /nfs/dbraw/zinc/87/71/76/559877176.db2.gz BDXHNURMJUMZLV-LJQANCHMSA-N 2 2 368.485 2.059 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452125290 560353005 /nfs/dbraw/zinc/35/30/05/560353005.db2.gz YPHLGCZZAXZJFI-AWEZNQCLSA-N 2 2 362.440 2.343 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452125290 560353006 /nfs/dbraw/zinc/35/30/06/560353006.db2.gz YPHLGCZZAXZJFI-AWEZNQCLSA-N 2 2 362.440 2.343 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455773968 560494475 /nfs/dbraw/zinc/49/44/75/560494475.db2.gz CDPVYXDDVAWVBB-UHFFFAOYSA-N 2 2 364.881 2.096 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cnc(C#N)c(Cl)c1 ZINC000455773968 560494476 /nfs/dbraw/zinc/49/44/76/560494476.db2.gz CDPVYXDDVAWVBB-UHFFFAOYSA-N 2 2 364.881 2.096 20 30 FEEDLP N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000459444840 560686969 /nfs/dbraw/zinc/68/69/69/560686969.db2.gz BFRPCDWRBAXIIO-AEFFLSMTSA-N 2 2 358.511 2.456 20 30 FEEDLP C[C@H](C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(C#N)c1 ZINC000462022811 560793249 /nfs/dbraw/zinc/79/32/49/560793249.db2.gz HIHNARIVGVJNDF-INIZCTEOSA-N 2 2 354.498 2.337 20 30 FEEDLP CC1([NH+]2CCOCC2)CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000528727164 562344315 /nfs/dbraw/zinc/34/43/15/562344315.db2.gz FVZJSYQNGBPISI-UHFFFAOYSA-N 2 2 356.470 2.074 20 30 FEEDLP C=C1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000532961498 562494078 /nfs/dbraw/zinc/49/40/78/562494078.db2.gz PFGZAAXOJONCPF-SFHVURJKSA-N 2 2 357.498 2.176 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@@H+]1CCc2sccc2C1)NC[C@@]1(C)CCCO1 ZINC000261831853 672904223 /nfs/dbraw/zinc/90/42/23/672904223.db2.gz VOJIGCZLFYSXPC-KBXCAEBGSA-N 2 2 350.532 2.229 20 30 FEEDLP C[NH+]=C(NC[C@H](C)[N@H+]1CCc2sccc2C1)NC[C@@]1(C)CCCO1 ZINC000261831853 672904224 /nfs/dbraw/zinc/90/42/24/672904224.db2.gz VOJIGCZLFYSXPC-KBXCAEBGSA-N 2 2 350.532 2.229 20 30 FEEDLP C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786401 681261407 /nfs/dbraw/zinc/26/14/07/681261407.db2.gz KGIYSANMGBPPAZ-YYIAUSFCSA-N 2 2 362.905 2.447 20 30 FEEDLP C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]cn3C)CC[C@@H]2C1 ZINC000946786401 681261409 /nfs/dbraw/zinc/26/14/09/681261409.db2.gz KGIYSANMGBPPAZ-YYIAUSFCSA-N 2 2 362.905 2.447 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(c2noc(C[NH+](CC)CC)n2)CCCC1 ZINC000876737685 686257758 /nfs/dbraw/zinc/25/77/58/686257758.db2.gz UGIXKPGAXYUWRO-CYBMUJFWSA-N 2 2 369.897 2.267 20 30 FEEDLP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000876755773 686261361 /nfs/dbraw/zinc/26/13/61/686261361.db2.gz WPCOFCSUYCNAAQ-WMLDXEAASA-N 2 2 351.878 2.370 20 30 FEEDLP C[NH+]1CCC2(CC1)CC[NH+](CCS(=O)(=O)c1ccc(C#N)cc1)CC2 ZINC000879247944 686779076 /nfs/dbraw/zinc/77/90/76/686779076.db2.gz KGZVVVQHBIZVQJ-UHFFFAOYSA-N 2 2 361.511 2.140 20 30 FEEDLP Cc1oc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C#N)c1C ZINC000064344355 541202274 /nfs/dbraw/zinc/20/22/74/541202274.db2.gz LSPZGMOBHMLJGR-UHFFFAOYSA-N 2 2 374.485 2.141 20 30 FEEDLP N#Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000072719815 541857482 /nfs/dbraw/zinc/85/74/82/541857482.db2.gz QZEZPNFPIZKYKZ-UYAOXDASSA-N 2 2 352.482 2.471 20 30 FEEDLP N#Cc1ccc(N2CC[C@@H]([N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2=O)cc1 ZINC000072719815 541857486 /nfs/dbraw/zinc/85/74/86/541857486.db2.gz QZEZPNFPIZKYKZ-UYAOXDASSA-N 2 2 352.482 2.471 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110309 542233909 /nfs/dbraw/zinc/23/39/09/542233909.db2.gz LFDHVNZCPWZYJG-PZJWPPBQSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110309 542233911 /nfs/dbraw/zinc/23/39/11/542233911.db2.gz LFDHVNZCPWZYJG-PZJWPPBQSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110309 542233913 /nfs/dbraw/zinc/23/39/13/542233913.db2.gz LFDHVNZCPWZYJG-PZJWPPBQSA-N 2 2 356.514 2.495 20 30 FEEDLP CC(C)[C@@](C)(C#N)NC(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110309 542233915 /nfs/dbraw/zinc/23/39/15/542233915.db2.gz LFDHVNZCPWZYJG-PZJWPPBQSA-N 2 2 356.514 2.495 20 30 FEEDLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000092665066 542879390 /nfs/dbraw/zinc/87/93/90/542879390.db2.gz ZBYFCKQZPBBGAP-HDICACEKSA-N 2 2 366.513 2.196 20 30 FEEDLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2c[nH+]c3ccc(C#N)cn23)CC1 ZINC000092665066 542879394 /nfs/dbraw/zinc/87/93/94/542879394.db2.gz ZBYFCKQZPBBGAP-HDICACEKSA-N 2 2 366.513 2.196 20 30 FEEDLP C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000110734321 543366980 /nfs/dbraw/zinc/36/69/80/543366980.db2.gz NSJDLXCTQQWNCW-UHFFFAOYSA-N 2 2 357.498 2.289 20 30 FEEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](CC#Cc3ccc(F)cc3)CC2)CC1 ZINC000121298861 543691866 /nfs/dbraw/zinc/69/18/66/543691866.db2.gz WVTNIJRBAJMZPH-UHFFFAOYSA-N 2 2 357.473 2.053 20 30 FEEDLP C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000119435200 543667579 /nfs/dbraw/zinc/66/75/79/543667579.db2.gz JOJRLTAFSKUUJK-KPFFTGBYSA-N 2 2 354.454 2.272 20 30 FEEDLP C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(CC#N)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000119435200 543667580 /nfs/dbraw/zinc/66/75/80/543667580.db2.gz JOJRLTAFSKUUJK-KPFFTGBYSA-N 2 2 354.454 2.272 20 30 FEEDLP C[NH+]1CCC(CNc2nccc(C#N)c2[N+](=O)[O-])([NH+]2CCCCC2)CC1 ZINC000150923117 544486631 /nfs/dbraw/zinc/48/66/31/544486631.db2.gz OVBFYOMFPOBGFS-UHFFFAOYSA-N 2 2 358.446 2.224 20 30 FEEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)NCc1ccco1 ZINC000181737535 327744203 /nfs/dbraw/zinc/74/42/03/327744203.db2.gz JUCHCHNFOXJGKP-MRXNPFEDSA-N 2 2 366.465 2.410 20 30 FEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166361340 327081731 /nfs/dbraw/zinc/08/17/31/327081731.db2.gz FXLXSWYOYSRSOU-UHFFFAOYSA-N 2 2 352.438 2.471 20 30 FEEDLP C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000266962967 329277655 /nfs/dbraw/zinc/27/76/55/329277655.db2.gz XDBVWYPQOXNCOL-CYBMUJFWSA-N 2 2 372.860 2.094 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)CC1 ZINC000269364764 329511803 /nfs/dbraw/zinc/51/18/03/329511803.db2.gz WUEMXNBEMPPCMA-UHFFFAOYSA-N 2 2 357.458 2.461 20 30 FEEDLP CC(C)(CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)[NH+]1CCOCC1 ZINC000160604374 546055543 /nfs/dbraw/zinc/05/55/43/546055543.db2.gz YJZVNPSPTSHKKV-UHFFFAOYSA-N 2 2 360.380 2.423 20 30 FEEDLP C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000246008912 549035986 /nfs/dbraw/zinc/03/59/86/549035986.db2.gz KOFNPDXQITWDRX-VQTJNVASSA-N 2 2 358.530 2.243 20 30 FEEDLP C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000246008912 549035991 /nfs/dbraw/zinc/03/59/91/549035991.db2.gz KOFNPDXQITWDRX-VQTJNVASSA-N 2 2 358.530 2.243 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NC[C@@H](c2ccsc2)[NH+](C)C)cc1OC ZINC000264099819 549979036 /nfs/dbraw/zinc/97/90/36/549979036.db2.gz NSKRTMBFWQSZEQ-HNNXBMFYSA-N 2 2 362.499 2.473 20 30 FEEDLP CN(Cc1ccc(F)cc1)C(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267018012 550026333 /nfs/dbraw/zinc/02/63/33/550026333.db2.gz PQXFNYSSAMBZBI-UHFFFAOYSA-N 2 2 372.444 2.183 20 30 FEEDLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271810867 550403370 /nfs/dbraw/zinc/40/33/70/550403370.db2.gz AQGFYSOOLXWGGY-VQIMIIECSA-N 2 2 358.486 2.182 20 30 FEEDLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000271810867 550403372 /nfs/dbraw/zinc/40/33/72/550403372.db2.gz AQGFYSOOLXWGGY-VQIMIIECSA-N 2 2 358.486 2.182 20 30 FEEDLP C(#CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000276296477 550577829 /nfs/dbraw/zinc/57/78/29/550577829.db2.gz JAFKPSSLOBUWQR-UHFFFAOYSA-N 4 2 352.486 2.195 20 30 FEEDLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411100 550887221 /nfs/dbraw/zinc/88/72/21/550887221.db2.gz NVHOSNFTLMBHIF-APWZRJJASA-N 2 2 350.470 2.385 20 30 FEEDLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411100 550887224 /nfs/dbraw/zinc/88/72/24/550887224.db2.gz NVHOSNFTLMBHIF-APWZRJJASA-N 2 2 350.470 2.385 20 30 FEEDLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411100 550887226 /nfs/dbraw/zinc/88/72/26/550887226.db2.gz NVHOSNFTLMBHIF-APWZRJJASA-N 2 2 350.470 2.385 20 30 FEEDLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cn(CCC#N)nc3-c3ccncc3)[C@H]2C1 ZINC000279411100 550887227 /nfs/dbraw/zinc/88/72/27/550887227.db2.gz NVHOSNFTLMBHIF-APWZRJJASA-N 2 2 350.470 2.385 20 30 FEEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502502123 561619982 /nfs/dbraw/zinc/61/99/82/561619982.db2.gz WRUVGRSBAGLMMK-KRWDZBQOSA-N 2 2 352.482 2.200 20 30 FEEDLP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502502123 561619983 /nfs/dbraw/zinc/61/99/83/561619983.db2.gz WRUVGRSBAGLMMK-KRWDZBQOSA-N 2 2 352.482 2.200 20 30 FEEDLP C[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1n1cc[nH+]c1 ZINC000329948898 554037428 /nfs/dbraw/zinc/03/74/28/554037428.db2.gz LBOSZADNHWFZDR-BFYDXBDKSA-N 2 2 351.520 2.117 20 30 FEEDLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330317622 554103888 /nfs/dbraw/zinc/10/38/88/554103888.db2.gz BUPBSDIFUVARBI-KYHPRHEASA-N 2 2 363.506 2.264 20 30 FEEDLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000330317622 554103890 /nfs/dbraw/zinc/10/38/90/554103890.db2.gz BUPBSDIFUVARBI-KYHPRHEASA-N 2 2 363.506 2.264 20 30 FEEDLP C[C@H]1C[N@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703292 554982178 /nfs/dbraw/zinc/98/21/78/554982178.db2.gz PYRIJDXNMAHCTJ-RXVVDRJESA-N 2 2 356.514 2.285 20 30 FEEDLP C[C@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000362703292 554982180 /nfs/dbraw/zinc/98/21/80/554982180.db2.gz PYRIJDXNMAHCTJ-RXVVDRJESA-N 2 2 356.514 2.285 20 30 FEEDLP CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363870690 555203271 /nfs/dbraw/zinc/20/32/71/555203271.db2.gz WYDBHHZLGWEEMZ-AEFFLSMTSA-N 2 2 352.523 2.242 20 30 FEEDLP CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363870690 555203273 /nfs/dbraw/zinc/20/32/73/555203273.db2.gz WYDBHHZLGWEEMZ-AEFFLSMTSA-N 2 2 352.523 2.242 20 30 FEEDLP C=CC[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000514603460 561969284 /nfs/dbraw/zinc/96/92/84/561969284.db2.gz NEUFRWJQFVXVIY-UHFFFAOYSA-N 2 2 356.283 2.481 20 30 FEEDLP C=CC[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000514603460 561969285 /nfs/dbraw/zinc/96/92/85/561969285.db2.gz NEUFRWJQFVXVIY-UHFFFAOYSA-N 2 2 356.283 2.481 20 30 FEEDLP Cc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367454802 556054234 /nfs/dbraw/zinc/05/42/34/556054234.db2.gz WVPRQKUVDQWMSI-MRXNPFEDSA-N 2 2 355.486 2.499 20 30 FEEDLP Cc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000367454802 556054235 /nfs/dbraw/zinc/05/42/35/556054235.db2.gz WVPRQKUVDQWMSI-MRXNPFEDSA-N 2 2 355.486 2.499 20 30 FEEDLP C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000369275595 556561108 /nfs/dbraw/zinc/56/11/08/556561108.db2.gz XYIZELQPWHIUIU-KRWDZBQOSA-N 2 2 373.497 2.158 20 30 FEEDLP C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1OC ZINC000369275595 556561110 /nfs/dbraw/zinc/56/11/10/556561110.db2.gz XYIZELQPWHIUIU-KRWDZBQOSA-N 2 2 373.497 2.158 20 30 FEEDLP Cc1ncc(C[N@@H+]2CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000375509065 558040387 /nfs/dbraw/zinc/04/03/87/558040387.db2.gz KBYAZLDOUJCYEQ-WMLDXEAASA-N 2 2 363.531 2.014 20 30 FEEDLP Cc1ncc(C[N@H+]2CC[C@@H]([NH2+]CCC(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000375509065 558040389 /nfs/dbraw/zinc/04/03/89/558040389.db2.gz KBYAZLDOUJCYEQ-WMLDXEAASA-N 2 2 363.531 2.014 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3CN4CCCC[C@@H]4CO3)CC2)cc1 ZINC000376178698 558137230 /nfs/dbraw/zinc/13/72/30/558137230.db2.gz SVWJWZUPAIKIKP-YADHBBJMSA-N 2 2 368.525 2.366 20 30 FEEDLP CCC[NH+]1CCC([NH+]2CCN(c3cc(N)c([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000376186821 558138242 /nfs/dbraw/zinc/13/82/42/558138242.db2.gz JCGKNHFOFQIHCS-UHFFFAOYSA-N 2 2 372.473 2.045 20 30 FEEDLP N#CC1(NC(=O)C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000377771267 558416788 /nfs/dbraw/zinc/41/67/88/558416788.db2.gz FPLHVLNAVRRDQG-RTBURBONSA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000377771267 558416790 /nfs/dbraw/zinc/41/67/90/558416790.db2.gz FPLHVLNAVRRDQG-RTBURBONSA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000377771267 558416793 /nfs/dbraw/zinc/41/67/93/558416793.db2.gz FPLHVLNAVRRDQG-RTBURBONSA-N 2 2 352.482 2.003 20 30 FEEDLP N#CC1(NC(=O)C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000377771267 558416797 /nfs/dbraw/zinc/41/67/97/558416797.db2.gz FPLHVLNAVRRDQG-RTBURBONSA-N 2 2 352.482 2.003 20 30 FEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000389825719 558609732 /nfs/dbraw/zinc/60/97/32/558609732.db2.gz QHDYRZRWWCRYMP-UIFIKXQLSA-N 2 2 365.477 2.408 20 30 FEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000389825719 558609735 /nfs/dbraw/zinc/60/97/35/558609735.db2.gz QHDYRZRWWCRYMP-UIFIKXQLSA-N 2 2 365.477 2.408 20 30 FEEDLP CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424178541 559656888 /nfs/dbraw/zinc/65/68/88/559656888.db2.gz WWCQRODFOROPDD-FUHWJXTLSA-N 2 2 358.486 2.139 20 30 FEEDLP CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)C1 ZINC000424178541 559656889 /nfs/dbraw/zinc/65/68/89/559656889.db2.gz WWCQRODFOROPDD-FUHWJXTLSA-N 2 2 358.486 2.139 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748316 559908376 /nfs/dbraw/zinc/90/83/76/559908376.db2.gz RKZHOHSMQKIMLE-WBKMXMRLSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434748316 559908377 /nfs/dbraw/zinc/90/83/77/559908377.db2.gz RKZHOHSMQKIMLE-WBKMXMRLSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434748316 559908378 /nfs/dbraw/zinc/90/83/78/559908378.db2.gz RKZHOHSMQKIMLE-WBKMXMRLSA-N 2 2 371.529 2.449 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434748316 559908379 /nfs/dbraw/zinc/90/83/79/559908379.db2.gz RKZHOHSMQKIMLE-WBKMXMRLSA-N 2 2 371.529 2.449 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(C(F)(F)F)c(C#N)n3)CC2)CC1 ZINC000443519132 560086339 /nfs/dbraw/zinc/08/63/39/560086339.db2.gz NNVOCEUGZAMXDD-UHFFFAOYSA-N 2 2 367.419 2.943 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541692 560313324 /nfs/dbraw/zinc/31/33/24/560313324.db2.gz ZWQKAHBKUOWABO-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541692 560313325 /nfs/dbraw/zinc/31/33/25/560313325.db2.gz ZWQKAHBKUOWABO-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(C#N)ccc3F)C2)CC1 ZINC000451541692 560313326 /nfs/dbraw/zinc/31/33/26/560313326.db2.gz ZWQKAHBKUOWABO-LJQANCHMSA-N 2 2 372.488 2.464 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000469605148 560959429 /nfs/dbraw/zinc/95/94/29/560959429.db2.gz PRKUPYYMXUTGSA-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000469605148 560959430 /nfs/dbraw/zinc/95/94/30/560959430.db2.gz PRKUPYYMXUTGSA-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000469605148 560959431 /nfs/dbraw/zinc/95/94/31/560959431.db2.gz PRKUPYYMXUTGSA-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000469605148 560959432 /nfs/dbraw/zinc/95/94/32/560959432.db2.gz PRKUPYYMXUTGSA-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4cccc(C#N)c4)CC3)CC2)CC1 ZINC000533401527 562507463 /nfs/dbraw/zinc/50/74/63/562507463.db2.gz PNTKABIWQCMNST-UHFFFAOYSA-N 2 2 366.509 2.265 20 30 FEEDLP COc1ccc([C@H](CNC(=O)C[NH2+][C@@H](C)CC#N)[NH+]2CCCCC2)cc1 ZINC000602864623 568007994 /nfs/dbraw/zinc/00/79/94/568007994.db2.gz TVRDVJFVZFNBAR-LPHOPBHVSA-N 2 2 358.486 2.230 20 30 FEEDLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000570955799 568254165 /nfs/dbraw/zinc/25/41/65/568254165.db2.gz HWQMXJXFDBQOTF-GOSISDBHSA-N 2 2 363.527 2.290 20 30 FEEDLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000570955799 568254166 /nfs/dbraw/zinc/25/41/66/568254166.db2.gz HWQMXJXFDBQOTF-GOSISDBHSA-N 2 2 363.527 2.290 20 30 FEEDLP C[NH+]1CCN(c2ccc(C=[NH+]NC(=S)Nc3ccccn3)cc2)CC1 ZINC000771557356 681059709 /nfs/dbraw/zinc/05/97/09/681059709.db2.gz CMFHFPIESMWDID-UHFFFAOYSA-N 2 2 354.483 2.154 20 30 FEEDLP CN(C)c1cc[nH+]cc1C=[NH+]Nc1ccc(S(=O)(=O)NC2CC2)cc1 ZINC000776181415 681370311 /nfs/dbraw/zinc/37/03/11/681370311.db2.gz WFFPKBYDQGGGKS-UHFFFAOYSA-N 2 2 359.455 2.034 20 30 FEEDLP C[N@@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852885883 682353274 /nfs/dbraw/zinc/35/32/74/682353274.db2.gz DNPJFJDQYDVEBI-HKUYNNGSSA-N 2 2 363.864 2.344 20 30 FEEDLP C[N@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852885883 682353281 /nfs/dbraw/zinc/35/32/81/682353281.db2.gz DNPJFJDQYDVEBI-HKUYNNGSSA-N 2 2 363.864 2.344 20 30 FEEDLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000876991528 686306481 /nfs/dbraw/zinc/30/64/81/686306481.db2.gz ZDFJCOYYUCQDDM-UHFFFAOYSA-N 2 2 356.861 2.043 20 30 FEEDLP Cc1ccc(CC#N)c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)[nH+]1 ZINC001164763208 721210746 /nfs/dbraw/zinc/21/07/46/721210746.db2.gz DSLSEUPYYNSKMR-MOPGFXCFSA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1ccc(CC#N)c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)[nH+]1 ZINC001164763208 721210756 /nfs/dbraw/zinc/21/07/56/721210756.db2.gz DSLSEUPYYNSKMR-MOPGFXCFSA-N 2 2 350.470 2.148 20 30 FEEDLP C[NH+](C)C1(CNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCCC1 ZINC000043147605 540091737 /nfs/dbraw/zinc/09/17/37/540091737.db2.gz XEJISYCNOKTOTA-UHFFFAOYSA-N 2 2 369.513 2.260 20 30 FEEDLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(C#N)cc1 ZINC000051761591 540443676 /nfs/dbraw/zinc/44/36/76/540443676.db2.gz AIQVHFOSYHSVPF-INIZCTEOSA-N 2 2 369.513 2.477 20 30 FEEDLP Cc1cc(NC(=O)CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)no1 ZINC000068956720 541644270 /nfs/dbraw/zinc/64/42/70/541644270.db2.gz UMUMRVKKFPBXHN-UHFFFAOYSA-N 2 2 371.441 2.245 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1ccc(F)c(F)c1 ZINC000087193103 542743253 /nfs/dbraw/zinc/74/32/53/542743253.db2.gz GMBVYOIWJSEDJQ-LLVKDONJSA-N 2 2 350.417 2.191 20 30 FEEDLP C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000153941657 544843074 /nfs/dbraw/zinc/84/30/74/544843074.db2.gz UFNSOOSUZJGPDT-UFYCRDLUSA-N 2 2 364.578 2.290 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[N@H+](C)CC(=O)NCC(F)(F)F)CCC[NH+]2C)cn1 ZINC000328652313 522405614 /nfs/dbraw/zinc/40/56/14/522405614.db2.gz WILNPEQBJGNAAE-SWLSCSKDSA-N 2 2 361.412 2.254 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC(=O)NCC(F)(F)F)CCC[NH+]2C)cn1 ZINC000328652313 522405622 /nfs/dbraw/zinc/40/56/22/522405622.db2.gz WILNPEQBJGNAAE-SWLSCSKDSA-N 2 2 361.412 2.254 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NCC(F)(F)F)CCC[N@@H+]2C)cn1 ZINC000328652313 522405631 /nfs/dbraw/zinc/40/56/31/522405631.db2.gz WILNPEQBJGNAAE-SWLSCSKDSA-N 2 2 361.412 2.254 20 30 FEEDLP Cn1cc([C@H]2[C@H](C[NH+](C)CC(=O)NCC(F)(F)F)CCC[N@H+]2C)cn1 ZINC000328652313 522405641 /nfs/dbraw/zinc/40/56/41/522405641.db2.gz WILNPEQBJGNAAE-SWLSCSKDSA-N 2 2 361.412 2.254 20 30 FEEDLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(F)ccc3C#N)CC2)CC1 ZINC000160320656 546029192 /nfs/dbraw/zinc/02/91/92/546029192.db2.gz ZRSPPLQSNIDZBM-UHFFFAOYSA-N 2 2 358.461 2.073 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NCc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000171720538 546222142 /nfs/dbraw/zinc/22/21/42/546222142.db2.gz YYYITCTVOHVTEC-UHFFFAOYSA-N 2 2 354.458 2.025 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H](C)c1ccc(F)cc1F ZINC000262750440 549845967 /nfs/dbraw/zinc/84/59/67/549845967.db2.gz BPOJIQHMCMKBHR-LLVKDONJSA-N 2 2 350.417 2.191 20 30 FEEDLP COc1ccc(CCNC(=[NH2+])NC[C@H](c2ccco2)[NH+](C)C)cc1OC ZINC000264090303 549978106 /nfs/dbraw/zinc/97/81/06/549978106.db2.gz KVHPRXRPQWDXTJ-OAHLLOKOSA-N 2 2 360.458 2.047 20 30 FEEDLP COc1ccc(CCNC(=[NH2+])NCCCCNc2cccc[nH+]2)cc1OC ZINC000264268254 549993996 /nfs/dbraw/zinc/99/39/96/549993996.db2.gz LBVHUANUSGGART-UHFFFAOYSA-N 2 2 371.485 2.438 20 30 FEEDLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668214 550809682 /nfs/dbraw/zinc/80/96/82/550809682.db2.gz NVVDKOGVWRAFDM-KXBFYZLASA-N 2 2 350.470 2.431 20 30 FEEDLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668214 550809684 /nfs/dbraw/zinc/80/96/84/550809684.db2.gz NVVDKOGVWRAFDM-KXBFYZLASA-N 2 2 350.470 2.431 20 30 FEEDLP C=CCN1CC[C@@H](O[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)C1=O ZINC000283585736 551391837 /nfs/dbraw/zinc/39/18/37/551391837.db2.gz RNBRDUYVDCZLKA-GOSISDBHSA-N 2 2 356.470 2.096 20 30 FEEDLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000328718266 553811790 /nfs/dbraw/zinc/81/17/90/553811790.db2.gz PSJULCMUBRTNOA-INIZCTEOSA-N 2 2 352.523 2.149 20 30 FEEDLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000328718266 553811792 /nfs/dbraw/zinc/81/17/92/553811792.db2.gz PSJULCMUBRTNOA-INIZCTEOSA-N 2 2 352.523 2.149 20 30 FEEDLP CC[NH+]1CCC([N@H+](C)CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000329495710 553957918 /nfs/dbraw/zinc/95/79/18/553957918.db2.gz FSOPYZAMRSRLNU-UHFFFAOYSA-N 2 2 362.430 2.333 20 30 FEEDLP CC[NH+]1CCC([N@@H+](C)CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000329495710 553957921 /nfs/dbraw/zinc/95/79/21/553957921.db2.gz FSOPYZAMRSRLNU-UHFFFAOYSA-N 2 2 362.430 2.333 20 30 FEEDLP CCN1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329996537 554046235 /nfs/dbraw/zinc/04/62/35/554046235.db2.gz PBSHZEROGCKQRS-INIZCTEOSA-N 2 2 362.522 2.265 20 30 FEEDLP C[C@@H]1CCC[N@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H]1CO ZINC000330314508 554103998 /nfs/dbraw/zinc/10/39/98/554103998.db2.gz PESNWNRRGCCITR-HIFRSBDPSA-N 2 2 352.504 2.420 20 30 FEEDLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)[C@H]1CO ZINC000330314508 554104003 /nfs/dbraw/zinc/10/40/03/554104003.db2.gz PESNWNRRGCCITR-HIFRSBDPSA-N 2 2 352.504 2.420 20 30 FEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)CCO1 ZINC000330332380 554106960 /nfs/dbraw/zinc/10/69/60/554106960.db2.gz OUUZQFFDVRRUNH-WBVHZDCISA-N 2 2 363.506 2.408 20 30 FEEDLP CCc1nnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)c1CC ZINC000367460624 556056403 /nfs/dbraw/zinc/05/64/03/556056403.db2.gz FZEOHXCCQNLQOU-OAHLLOKOSA-N 2 2 356.518 2.078 20 30 FEEDLP CCc1nnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c(C#N)c1CC ZINC000367460624 556056404 /nfs/dbraw/zinc/05/64/04/556056404.db2.gz FZEOHXCCQNLQOU-OAHLLOKOSA-N 2 2 356.518 2.078 20 30 FEEDLP C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000368615652 556363712 /nfs/dbraw/zinc/36/37/12/556363712.db2.gz AVWCYBVIDUAOSN-VQTJNVASSA-N 2 2 368.525 2.089 20 30 FEEDLP C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000368615652 556363716 /nfs/dbraw/zinc/36/37/16/556363716.db2.gz AVWCYBVIDUAOSN-VQTJNVASSA-N 2 2 368.525 2.089 20 30 FEEDLP C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000516955956 562067091 /nfs/dbraw/zinc/06/70/91/562067091.db2.gz UFYYUGMUQPVZPX-INIZCTEOSA-N 2 2 363.465 2.308 20 30 FEEDLP C=CCOc1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)cc1 ZINC000375861190 558090100 /nfs/dbraw/zinc/09/01/00/558090100.db2.gz LZGGDZKROIRTJW-UHFFFAOYSA-N 2 2 359.514 2.138 20 30 FEEDLP C=CCOc1ccc(C[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)cc1 ZINC000375861190 558090102 /nfs/dbraw/zinc/09/01/02/558090102.db2.gz LZGGDZKROIRTJW-UHFFFAOYSA-N 2 2 359.514 2.138 20 30 FEEDLP C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376066732 558122148 /nfs/dbraw/zinc/12/21/48/558122148.db2.gz KDLHNZKGJLNAFK-CQSZACIVSA-N 2 2 360.889 2.452 20 30 FEEDLP C[C@@H]1CN(C(=O)c2cc(C#N)ccc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376066732 558122149 /nfs/dbraw/zinc/12/21/49/558122149.db2.gz KDLHNZKGJLNAFK-CQSZACIVSA-N 2 2 360.889 2.452 20 30 FEEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)CCC#N ZINC000377717468 558404294 /nfs/dbraw/zinc/40/42/94/558404294.db2.gz IGDDKDFGPAXLGD-KRWDZBQOSA-N 2 2 356.474 2.127 20 30 FEEDLP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(CCC#N)CCC#N ZINC000377717468 558404296 /nfs/dbraw/zinc/40/42/96/558404296.db2.gz IGDDKDFGPAXLGD-KRWDZBQOSA-N 2 2 356.474 2.127 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000377732535 558407509 /nfs/dbraw/zinc/40/75/09/558407509.db2.gz MMTQNEBRACUNLH-NNMXDRDESA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000377732535 558407511 /nfs/dbraw/zinc/40/75/11/558407511.db2.gz MMTQNEBRACUNLH-NNMXDRDESA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000377732535 558407513 /nfs/dbraw/zinc/40/75/13/558407513.db2.gz MMTQNEBRACUNLH-NNMXDRDESA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@](C#N)(NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000377732535 558407515 /nfs/dbraw/zinc/40/75/15/558407515.db2.gz MMTQNEBRACUNLH-NNMXDRDESA-N 2 2 366.509 2.249 20 30 FEEDLP C[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000378369067 558541179 /nfs/dbraw/zinc/54/11/79/558541179.db2.gz JPFGCWIJZXCSQN-KRWDZBQOSA-N 2 2 351.498 2.411 20 30 FEEDLP C[C@H]1CN(Cc2cn3ccccc3c2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000378369067 558541181 /nfs/dbraw/zinc/54/11/81/558541181.db2.gz JPFGCWIJZXCSQN-KRWDZBQOSA-N 2 2 351.498 2.411 20 30 FEEDLP COc1ccc(C#N)cc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408081096 558644409 /nfs/dbraw/zinc/64/44/09/558644409.db2.gz URBDAAHOBVFERA-OAHLLOKOSA-N 2 2 371.485 2.199 20 30 FEEDLP COc1ccc(C#N)cc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000408081096 558644411 /nfs/dbraw/zinc/64/44/11/558644411.db2.gz URBDAAHOBVFERA-OAHLLOKOSA-N 2 2 371.485 2.199 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)cc1 ZINC000418353211 559398687 /nfs/dbraw/zinc/39/86/87/559398687.db2.gz CTPKKJWJBPXGLY-HXUWFJFHSA-N 2 2 369.513 2.293 20 30 FEEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000435023546 559914492 /nfs/dbraw/zinc/91/44/92/559914492.db2.gz LLOVSJWQEWDEPC-OALUTQOASA-N 2 2 359.470 2.205 20 30 FEEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000435023546 559914493 /nfs/dbraw/zinc/91/44/93/559914493.db2.gz LLOVSJWQEWDEPC-OALUTQOASA-N 2 2 359.470 2.205 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(-n3cc[nH+]c3)c2)CC1 ZINC000448923920 560207080 /nfs/dbraw/zinc/20/70/80/560207080.db2.gz WNSHMZZVGXUAHH-UHFFFAOYSA-N 2 2 355.398 2.161 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC#Cc3ccccc3)C2)CC1 ZINC000451529818 560312393 /nfs/dbraw/zinc/31/23/93/560312393.db2.gz OBQPMNKWVJADIN-QFIPXVFZSA-N 2 2 353.510 2.304 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC#Cc3ccccc3)C2)CC1 ZINC000451529818 560312394 /nfs/dbraw/zinc/31/23/94/560312394.db2.gz OBQPMNKWVJADIN-QFIPXVFZSA-N 2 2 353.510 2.304 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)CC1 ZINC000451529818 560312395 /nfs/dbraw/zinc/31/23/95/560312395.db2.gz OBQPMNKWVJADIN-QFIPXVFZSA-N 2 2 353.510 2.304 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000451529818 560312396 /nfs/dbraw/zinc/31/23/96/560312396.db2.gz OBQPMNKWVJADIN-QFIPXVFZSA-N 2 2 353.510 2.304 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000459375980 560682928 /nfs/dbraw/zinc/68/29/28/560682928.db2.gz ZFMIIFRVLFRVOH-UHFFFAOYSA-N 2 2 371.485 2.457 20 30 FEEDLP CC#CCCSc1nnc([C@@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000462378956 560808003 /nfs/dbraw/zinc/80/80/03/560808003.db2.gz FYYXSSOSLHIVFK-MRXNPFEDSA-N 2 2 365.547 2.129 20 30 FEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399346 562326842 /nfs/dbraw/zinc/32/68/42/562326842.db2.gz VVWVPUYUAXVJRG-IRXDYDNUSA-N 2 2 353.466 2.091 20 30 FEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399346 562326843 /nfs/dbraw/zinc/32/68/43/562326843.db2.gz VVWVPUYUAXVJRG-IRXDYDNUSA-N 2 2 353.466 2.091 20 30 FEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399346 562326844 /nfs/dbraw/zinc/32/68/44/562326844.db2.gz VVWVPUYUAXVJRG-IRXDYDNUSA-N 2 2 353.466 2.091 20 30 FEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1C ZINC000528399346 562326845 /nfs/dbraw/zinc/32/68/45/562326845.db2.gz VVWVPUYUAXVJRG-IRXDYDNUSA-N 2 2 353.466 2.091 20 30 FEEDLP C[NH+]=C(NCCn1cc[nH+]c1)N(C)Cc1ccc(Br)cc1 ZINC000073761547 670506550 /nfs/dbraw/zinc/50/65/50/670506550.db2.gz PBNUXEKCNGOGSP-UHFFFAOYSA-N 2 2 350.264 2.353 20 30 FEEDLP C[N@@H+]1CCN(CCC[NH2+]Cc2nc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000582515982 672008307 /nfs/dbraw/zinc/00/83/07/672008307.db2.gz QMICTADECLIAQT-SFHVURJKSA-N 2 2 355.511 2.483 20 30 FEEDLP C[N@H+]1CCN(CCC[NH2+]Cc2nc(C#N)cs2)[C@H](c2ccccc2)C1 ZINC000582515982 672008312 /nfs/dbraw/zinc/00/83/12/672008312.db2.gz QMICTADECLIAQT-SFHVURJKSA-N 2 2 355.511 2.483 20 30 FEEDLP Cc1nc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000329395893 673076605 /nfs/dbraw/zinc/07/66/05/673076605.db2.gz UFJFSKSNHWYSLZ-ZDUSSCGKSA-N 2 2 353.536 2.384 20 30 FEEDLP Cc1nc([C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000329395893 673076609 /nfs/dbraw/zinc/07/66/09/673076609.db2.gz UFJFSKSNHWYSLZ-ZDUSSCGKSA-N 2 2 353.536 2.384 20 30 FEEDLP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595469321 673254898 /nfs/dbraw/zinc/25/48/98/673254898.db2.gz FLLHZERJNGSYFD-MRXNPFEDSA-N 2 2 362.499 2.135 20 30 FEEDLP N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000595469321 673254901 /nfs/dbraw/zinc/25/49/01/673254901.db2.gz FLLHZERJNGSYFD-MRXNPFEDSA-N 2 2 362.499 2.135 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3SCC#N)C2)CC1 ZINC000732782323 673381979 /nfs/dbraw/zinc/38/19/79/673381979.db2.gz XEJNLYYLSWFUJR-OAHLLOKOSA-N 2 2 358.511 2.201 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccccc3SCC#N)C2)CC1 ZINC000732782323 673381982 /nfs/dbraw/zinc/38/19/82/673381982.db2.gz XEJNLYYLSWFUJR-OAHLLOKOSA-N 2 2 358.511 2.201 20 30 FEEDLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000548908175 674005559 /nfs/dbraw/zinc/00/55/59/674005559.db2.gz CJBBKKZNHWBDIT-IRXDYDNUSA-N 2 2 363.527 2.290 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000836488801 680476170 /nfs/dbraw/zinc/47/61/70/680476170.db2.gz OFIJCQYFWBDBAT-UHFFFAOYSA-N 2 2 362.543 2.093 20 30 FEEDLP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000836488801 680476174 /nfs/dbraw/zinc/47/61/74/680476174.db2.gz OFIJCQYFWBDBAT-UHFFFAOYSA-N 2 2 362.543 2.093 20 30 FEEDLP C[NH+](C)[C@H](CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21)c1ccsc1 ZINC000876722801 686253209 /nfs/dbraw/zinc/25/32/09/686253209.db2.gz FMUMMHRKVPKYAC-MSOLQXFVSA-N 2 2 354.479 2.226 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888412635 688607157 /nfs/dbraw/zinc/60/71/57/688607157.db2.gz PHPWCQJQJMLHPD-UHFFFAOYSA-N 2 2 370.910 2.158 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc(Cl)c(C#N)s1 ZINC000888412635 688607159 /nfs/dbraw/zinc/60/71/59/688607159.db2.gz PHPWCQJQJMLHPD-UHFFFAOYSA-N 2 2 370.910 2.158 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)Nc2ccc(C[NH+]3CCN(CC)CC3)cc2)CC1 ZINC000057170960 540775010 /nfs/dbraw/zinc/77/50/10/540775010.db2.gz XVMIATPXDWEUOP-UHFFFAOYSA-N 2 2 368.525 2.108 20 30 FEEDLP CN(C(=O)c1ccc(C#N)nc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124595021 543831284 /nfs/dbraw/zinc/83/12/84/543831284.db2.gz YPJNHDLRPXOZQT-UXHICEINSA-N 2 2 369.513 2.362 20 30 FEEDLP CN(C(=O)c1ccc(C#N)nc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124595021 543831286 /nfs/dbraw/zinc/83/12/86/543831286.db2.gz YPJNHDLRPXOZQT-UXHICEINSA-N 2 2 369.513 2.362 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@H]3COC4(CCOCC4)O3)CC2)cc1 ZINC000179995656 327667657 /nfs/dbraw/zinc/66/76/57/327667657.db2.gz DEMJDOXBEIWGCA-HXUWFJFHSA-N 2 2 371.481 2.034 20 30 FEEDLP COc1c(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)nn1C ZINC000162390719 327024476 /nfs/dbraw/zinc/02/44/76/327024476.db2.gz PTGCIBKDVZWIGH-UHFFFAOYSA-N 2 2 353.470 2.363 20 30 FEEDLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CN1CCOCC1 ZINC000181781863 547379357 /nfs/dbraw/zinc/37/93/57/547379357.db2.gz SFIWDJDMOBBLMY-GOSISDBHSA-N 2 2 356.514 2.081 20 30 FEEDLP COCc1noc(CO[NH+]=C(N)c2ccccc2C[NH+]2CCCCC2)n1 ZINC000183175422 547616103 /nfs/dbraw/zinc/61/61/03/547616103.db2.gz YWVOHIIPADMIJI-UHFFFAOYSA-N 2 2 359.430 2.039 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000187014508 548240564 /nfs/dbraw/zinc/24/05/64/548240564.db2.gz LRFDXEOEUVOULB-VQIMIIECSA-N 2 2 358.486 2.223 20 30 FEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000187014508 548240569 /nfs/dbraw/zinc/24/05/69/548240569.db2.gz LRFDXEOEUVOULB-VQIMIIECSA-N 2 2 358.486 2.223 20 30 FEEDLP C[NH+]=C(NCc1cn2c([nH+]1)CCCC2)N1CCN(c2ccccc2)CC1 ZINC000263271703 549890771 /nfs/dbraw/zinc/89/07/71/549890771.db2.gz XBWIYOPDWFDCTC-UHFFFAOYSA-N 2 2 352.486 2.117 20 30 FEEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000266064594 550016643 /nfs/dbraw/zinc/01/66/43/550016643.db2.gz BMIPOOBXHHOIDZ-MRXNPFEDSA-N 2 2 365.543 2.352 20 30 FEEDLP CC(=O)c1cccc(NC(=O)CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)c1 ZINC000267002507 550026808 /nfs/dbraw/zinc/02/68/08/550026808.db2.gz HVEBUBVRMRFWEW-UHFFFAOYSA-N 2 2 368.437 2.226 20 30 FEEDLP C[C@@](C#N)(NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000278828423 550826437 /nfs/dbraw/zinc/82/64/37/550826437.db2.gz IDSAWYJZQRFRKL-FQEVSTJZSA-N 2 2 355.486 2.207 20 30 FEEDLP CCn1cc[nH+]c1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000298549575 553439136 /nfs/dbraw/zinc/43/91/36/553439136.db2.gz XXIOMUQBQJMKCG-UHFFFAOYSA-N 2 2 366.469 2.192 20 30 FEEDLP CCn1cc[nH+]c1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000298549575 553439139 /nfs/dbraw/zinc/43/91/39/553439139.db2.gz XXIOMUQBQJMKCG-UHFFFAOYSA-N 2 2 366.469 2.192 20 30 FEEDLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH+]=C([O-])N1CC[NH+](CC3CC3)CC1)C2 ZINC000329274048 553914975 /nfs/dbraw/zinc/91/49/75/553914975.db2.gz KFUVFYFUTOUAGR-MRXNPFEDSA-N 2 2 359.518 2.437 20 30 FEEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000360604095 554881663 /nfs/dbraw/zinc/88/16/63/554881663.db2.gz INQGLACRDGTNFE-GOSISDBHSA-N 2 2 352.482 2.140 20 30 FEEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(C4(C#N)CC4)cc3)C2)CC1 ZINC000360604095 554881664 /nfs/dbraw/zinc/88/16/64/554881664.db2.gz INQGLACRDGTNFE-GOSISDBHSA-N 2 2 352.482 2.140 20 30 FEEDLP C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363036208 555015403 /nfs/dbraw/zinc/01/54/03/555015403.db2.gz DMECFFXBOGSZFP-KRWDZBQOSA-N 2 2 370.497 2.320 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368243848 556257227 /nfs/dbraw/zinc/25/72/27/556257227.db2.gz QTLXUAXIPXZROV-ONTIZHBOSA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368243848 556257230 /nfs/dbraw/zinc/25/72/30/556257230.db2.gz QTLXUAXIPXZROV-ONTIZHBOSA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368243848 556257232 /nfs/dbraw/zinc/25/72/32/556257232.db2.gz QTLXUAXIPXZROV-ONTIZHBOSA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368243848 556257235 /nfs/dbraw/zinc/25/72/35/556257235.db2.gz QTLXUAXIPXZROV-ONTIZHBOSA-N 2 2 368.525 2.495 20 30 FEEDLP C[NH+]1CCC(CNC(=O)COc2ccc(C#N)cc2)([NH+]2CCCCC2)CC1 ZINC000369650453 556658454 /nfs/dbraw/zinc/65/84/54/556658454.db2.gz VGVDPFWRFITSFW-UHFFFAOYSA-N 2 2 370.497 2.004 20 30 FEEDLP C=C1CC[NH+](CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)CC1 ZINC000518677241 562116335 /nfs/dbraw/zinc/11/63/35/562116335.db2.gz BAOOZHURXGXALO-UHFFFAOYSA-N 2 2 357.502 2.209 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000519235130 562127757 /nfs/dbraw/zinc/12/77/57/562127757.db2.gz YLIQVPNHVPVVII-MISYRCLQSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000519235130 562127758 /nfs/dbraw/zinc/12/77/58/562127758.db2.gz YLIQVPNHVPVVII-MISYRCLQSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000519235130 562127759 /nfs/dbraw/zinc/12/77/59/562127759.db2.gz YLIQVPNHVPVVII-MISYRCLQSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000519235130 562127760 /nfs/dbraw/zinc/12/77/60/562127760.db2.gz YLIQVPNHVPVVII-MISYRCLQSA-N 2 2 366.509 2.391 20 30 FEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611013 557520768 /nfs/dbraw/zinc/52/07/68/557520768.db2.gz ONDULZIAZAEOOF-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611013 557520770 /nfs/dbraw/zinc/52/07/70/557520770.db2.gz ONDULZIAZAEOOF-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611013 557520774 /nfs/dbraw/zinc/52/07/74/557520774.db2.gz ONDULZIAZAEOOF-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000372611013 557520776 /nfs/dbraw/zinc/52/07/76/557520776.db2.gz ONDULZIAZAEOOF-MJGOQNOKSA-N 2 2 354.498 2.391 20 30 FEEDLP CCC[NH+]1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])c(C#N)c3)CC2)CC1 ZINC000373335823 557674648 /nfs/dbraw/zinc/67/46/48/557674648.db2.gz VCJCUUKAKVTURQ-UHFFFAOYSA-N 2 2 357.458 2.463 20 30 FEEDLP Cn1c[nH+]cc1CCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000373514825 557709234 /nfs/dbraw/zinc/70/92/34/557709234.db2.gz KNMFMQWXUFFRCC-UHFFFAOYSA-N 2 2 351.454 2.027 20 30 FEEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3CCC(C#N)CC3)CC2)CC1 ZINC000376387833 558166684 /nfs/dbraw/zinc/16/66/84/558166684.db2.gz RMJNNMPZRMTQRT-UHFFFAOYSA-N 2 2 361.534 2.174 20 30 FEEDLP C=CCCO[C@@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000376681210 558207326 /nfs/dbraw/zinc/20/73/26/558207326.db2.gz QHWVDKZJWXAGRH-DLBZAZTESA-N 2 2 360.502 2.355 20 30 FEEDLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1=O ZINC000378449910 558560206 /nfs/dbraw/zinc/56/02/06/558560206.db2.gz HDSRKEPNSSMZAL-CDHQVMDDSA-N 2 2 352.482 2.122 20 30 FEEDLP C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411191096 558851257 /nfs/dbraw/zinc/85/12/57/558851257.db2.gz IJBZOTUZIAMPGA-INIZCTEOSA-N 2 2 360.458 2.135 20 30 FEEDLP C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000411191096 558851258 /nfs/dbraw/zinc/85/12/58/558851258.db2.gz IJBZOTUZIAMPGA-INIZCTEOSA-N 2 2 360.458 2.135 20 30 FEEDLP C[N@H+](CCC#N)C[C@@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000414111438 559149749 /nfs/dbraw/zinc/14/97/49/559149749.db2.gz XCURTYKUEKARBV-GOSISDBHSA-N 2 2 363.465 2.855 20 30 FEEDLP C[N@@H+](CCC#N)C[C@@H](O)Cn1c2ccccc2[nH+]c1NCc1ccccc1 ZINC000414111438 559149750 /nfs/dbraw/zinc/14/97/50/559149750.db2.gz XCURTYKUEKARBV-GOSISDBHSA-N 2 2 363.465 2.855 20 30 FEEDLP CC(C)[NH+]1CCC([NH+]2CCN(c3ncc4c(c3C#N)CCC4)CC2)CC1 ZINC000425242940 559693044 /nfs/dbraw/zinc/69/30/44/559693044.db2.gz SJSYUPYZQYHTIL-UHFFFAOYSA-N 2 2 353.514 2.437 20 30 FEEDLP C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441074018 560022771 /nfs/dbraw/zinc/02/27/71/560022771.db2.gz YZNKWVRSCUQJGC-LJQANCHMSA-N 2 2 362.562 2.066 20 30 FEEDLP N#C[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000459453927 560687345 /nfs/dbraw/zinc/68/73/45/560687345.db2.gz DHAGMKOXWNQRAL-AEFFLSMTSA-N 2 2 360.889 2.266 20 30 FEEDLP CC#CCCSc1nnc([C@H](CC)[NH+](C)C)n1CC[NH+]1CCOCC1 ZINC000462378955 560808023 /nfs/dbraw/zinc/80/80/23/560808023.db2.gz FYYXSSOSLHIVFK-INIZCTEOSA-N 2 2 365.547 2.129 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336768 562407428 /nfs/dbraw/zinc/40/74/28/562407428.db2.gz VFXZMKJDWOBHDL-JENIJYKNSA-N 2 2 354.498 2.438 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)NC1(C#N)CCC1 ZINC000530336768 562407429 /nfs/dbraw/zinc/40/74/29/562407429.db2.gz VFXZMKJDWOBHDL-JENIJYKNSA-N 2 2 354.498 2.438 20 30 FEEDLP C=C1CC[NH+]([C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000532961497 562493921 /nfs/dbraw/zinc/49/39/21/562493921.db2.gz PFGZAAXOJONCPF-GOSISDBHSA-N 2 2 357.498 2.176 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033095603 680417477 /nfs/dbraw/zinc/41/74/77/680417477.db2.gz CDAPAGOJNKXHMU-SOUVJXGZSA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033095603 680417482 /nfs/dbraw/zinc/41/74/82/680417482.db2.gz CDAPAGOJNKXHMU-SOUVJXGZSA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033095603 680417486 /nfs/dbraw/zinc/41/74/86/680417486.db2.gz CDAPAGOJNKXHMU-SOUVJXGZSA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033095603 680417489 /nfs/dbraw/zinc/41/74/89/680417489.db2.gz CDAPAGOJNKXHMU-SOUVJXGZSA-N 2 2 358.324 2.158 20 30 FEEDLP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(C#N)cnc3Cl)CC2)CC1 ZINC000877334090 686356195 /nfs/dbraw/zinc/35/61/95/686356195.db2.gz JLSAHLSTIQQCRQ-UHFFFAOYSA-N 2 2 361.921 2.456 20 30 FEEDLP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000046382095 540254430 /nfs/dbraw/zinc/25/44/30/540254430.db2.gz UADBZADUXNWYGV-GOSISDBHSA-N 2 2 369.513 2.117 20 30 FEEDLP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000046382095 540254434 /nfs/dbraw/zinc/25/44/34/540254434.db2.gz UADBZADUXNWYGV-GOSISDBHSA-N 2 2 369.513 2.117 20 30 FEEDLP C[C@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)CCO1 ZINC000066562059 541336217 /nfs/dbraw/zinc/33/62/17/541336217.db2.gz RYQQTSVEVMAHKC-INIZCTEOSA-N 2 2 356.470 2.072 20 30 FEEDLP C[C@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3ccc(C#N)cc3)CC2)CCO1 ZINC000066562059 541336221 /nfs/dbraw/zinc/33/62/21/541336221.db2.gz RYQQTSVEVMAHKC-INIZCTEOSA-N 2 2 356.470 2.072 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123810850 543784213 /nfs/dbraw/zinc/78/42/13/543784213.db2.gz GKKIFKIAGQWFQX-IAGOWNOFSA-N 2 2 357.502 2.406 20 30 FEEDLP C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123810850 543784215 /nfs/dbraw/zinc/78/42/15/543784215.db2.gz GKKIFKIAGQWFQX-IAGOWNOFSA-N 2 2 357.502 2.406 20 30 FEEDLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)cc2)CC1 ZINC000123384646 543758899 /nfs/dbraw/zinc/75/88/99/543758899.db2.gz AMSQTLGNNKXSLE-UHFFFAOYSA-N 2 2 374.492 2.243 20 30 FEEDLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181403754 327728751 /nfs/dbraw/zinc/72/87/51/327728751.db2.gz PMDJRPLQOMLZOC-UHFFFAOYSA-N 2 2 356.514 2.223 20 30 FEEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)N1CCOCC1 ZINC000181710340 327743090 /nfs/dbraw/zinc/74/30/90/327743090.db2.gz LRFMQRLUYCKEEH-MSOLQXFVSA-N 2 2 356.514 2.221 20 30 FEEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@H](C)N1CCOCC1 ZINC000181710321 327743092 /nfs/dbraw/zinc/74/30/92/327743092.db2.gz LRFMQRLUYCKEEH-ROUUACIJSA-N 2 2 356.514 2.221 20 30 FEEDLP CC[NH+]1CCN(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC000181491409 547323487 /nfs/dbraw/zinc/32/34/87/547323487.db2.gz XTKDQBFIOOUBAI-UHFFFAOYSA-N 3 2 369.557 2.140 20 30 FEEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)[C@@H](C)N1CCOCC1 ZINC000181710302 547364826 /nfs/dbraw/zinc/36/48/26/547364826.db2.gz LRFMQRLUYCKEEH-QZTJIDSGSA-N 2 2 356.514 2.221 20 30 FEEDLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249439239 549592766 /nfs/dbraw/zinc/59/27/66/549592766.db2.gz LRFDXEOEUVOULB-QFBILLFUSA-N 2 2 358.486 2.223 20 30 FEEDLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000249439239 549592771 /nfs/dbraw/zinc/59/27/71/549592771.db2.gz LRFDXEOEUVOULB-QFBILLFUSA-N 2 2 358.486 2.223 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000252736474 549678075 /nfs/dbraw/zinc/67/80/75/549678075.db2.gz VQTZYKUKMUBYEY-RBUKOAKNSA-N 2 2 361.436 2.171 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000252736474 549678079 /nfs/dbraw/zinc/67/80/79/549678079.db2.gz VQTZYKUKMUBYEY-RBUKOAKNSA-N 2 2 361.436 2.171 20 30 FEEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000264123995 549981976 /nfs/dbraw/zinc/98/19/76/549981976.db2.gz RSAPXKKPSJDZJB-OKILXGFUSA-N 2 2 364.490 2.318 20 30 FEEDLP COc1ccc(NC(=[NH2+])NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000264123995 549981978 /nfs/dbraw/zinc/98/19/78/549981978.db2.gz RSAPXKKPSJDZJB-OKILXGFUSA-N 2 2 364.490 2.318 20 30 FEEDLP C=CC[NH+]1CCC(NC(=O)NCc2cccnc2-n2cc[nH+]c2C)CC1 ZINC000264420007 549995732 /nfs/dbraw/zinc/99/57/32/549995732.db2.gz QZWRLZJIDITRKB-UHFFFAOYSA-N 2 2 354.458 2.025 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000298732664 553465492 /nfs/dbraw/zinc/46/54/92/553465492.db2.gz LXLTXSIMAPPNRE-UXHICEINSA-N 2 2 367.497 2.012 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000298732664 553465493 /nfs/dbraw/zinc/46/54/93/553465493.db2.gz LXLTXSIMAPPNRE-UXHICEINSA-N 2 2 367.497 2.012 20 30 FEEDLP COc1ccc(CNC(=[NH2+])NCc2ccccc2-n2cc[nH+]c2)cc1OC ZINC000303881072 553747043 /nfs/dbraw/zinc/74/70/43/553747043.db2.gz KPGNVUVBAJZSJA-UHFFFAOYSA-N 2 2 365.437 2.494 20 30 FEEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000311887790 553755634 /nfs/dbraw/zinc/75/56/34/553755634.db2.gz CRDGHTPDMHUDHT-YLJYHZDGSA-N 2 2 353.466 2.408 20 30 FEEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000311887790 553755636 /nfs/dbraw/zinc/75/56/36/553755636.db2.gz CRDGHTPDMHUDHT-YLJYHZDGSA-N 2 2 353.466 2.408 20 30 FEEDLP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)[C@H]2C1 ZINC000329588623 553972546 /nfs/dbraw/zinc/97/25/46/553972546.db2.gz YZKKXRYVRYCCAN-MOPGFXCFSA-N 2 2 367.497 2.414 20 30 FEEDLP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCc3[nH+]ccn3Cc3ccccc3)[C@H]2C1 ZINC000329588623 553972548 /nfs/dbraw/zinc/97/25/48/553972548.db2.gz YZKKXRYVRYCCAN-MOPGFXCFSA-N 2 2 367.497 2.414 20 30 FEEDLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000330289813 554100250 /nfs/dbraw/zinc/10/02/50/554100250.db2.gz FGMNVEKYQRWJQE-QGZVFWFLSA-N 2 2 373.501 2.332 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N[C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC000330513622 554131939 /nfs/dbraw/zinc/13/19/39/554131939.db2.gz CVQTXLRLWIFQFV-WBVHZDCISA-N 2 2 354.539 2.110 20 30 FEEDLP C[C@H](NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C(C)(C)C[NH+](C)C ZINC000331213023 554231930 /nfs/dbraw/zinc/23/19/30/554231930.db2.gz KWYGKMPOPZHFNT-SQWLQELKSA-N 2 2 351.495 2.120 20 30 FEEDLP C[C@@H]1CN(C(=O)Nc2ccc(F)cc2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000367444269 556050601 /nfs/dbraw/zinc/05/06/01/556050601.db2.gz AUUZBQQGDNSUHJ-CQSZACIVSA-N 2 2 359.449 2.330 20 30 FEEDLP C=CCOc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370840786 556986447 /nfs/dbraw/zinc/98/64/47/556986447.db2.gz XBVGNQMVQKODHL-SFHVURJKSA-N 2 2 357.498 2.492 20 30 FEEDLP C=CCOc1ccccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370840786 556986449 /nfs/dbraw/zinc/98/64/49/556986449.db2.gz XBVGNQMVQKODHL-SFHVURJKSA-N 2 2 357.498 2.492 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N(CC)[C@@H](c2[nH+]ccn2C)c2cccnc2)CC1 ZINC000370863637 556994946 /nfs/dbraw/zinc/99/49/46/556994946.db2.gz XHINAKHZRFXIMM-LJQANCHMSA-N 2 2 365.481 2.098 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372525795 557493055 /nfs/dbraw/zinc/49/30/55/557493055.db2.gz YDLVFCFYLQNBPD-QRFRQXIXSA-N 2 2 357.502 2.014 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372525795 557493059 /nfs/dbraw/zinc/49/30/59/557493059.db2.gz YDLVFCFYLQNBPD-QRFRQXIXSA-N 2 2 357.502 2.014 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372525795 557493061 /nfs/dbraw/zinc/49/30/61/557493061.db2.gz YDLVFCFYLQNBPD-QRFRQXIXSA-N 2 2 357.502 2.014 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372525795 557493064 /nfs/dbraw/zinc/49/30/64/557493064.db2.gz YDLVFCFYLQNBPD-QRFRQXIXSA-N 2 2 357.502 2.014 20 30 FEEDLP CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000374242456 557849296 /nfs/dbraw/zinc/84/92/96/557849296.db2.gz XEWKRPHECZNGRO-FAFZWHIHSA-N 2 2 361.534 2.126 20 30 FEEDLP CN(C(=O)NCC1CCC(C#N)CC1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000374242456 557849298 /nfs/dbraw/zinc/84/92/98/557849298.db2.gz XEWKRPHECZNGRO-FAFZWHIHSA-N 2 2 361.534 2.126 20 30 FEEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000375740059 558075269 /nfs/dbraw/zinc/07/52/69/558075269.db2.gz DFCVKAZUUHDTTD-BPIHKTFHSA-N 2 2 370.497 2.151 20 30 FEEDLP C[C@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000375740059 558075271 /nfs/dbraw/zinc/07/52/71/558075271.db2.gz DFCVKAZUUHDTTD-BPIHKTFHSA-N 2 2 370.497 2.151 20 30 FEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)cc1 ZINC000375740063 558075487 /nfs/dbraw/zinc/07/54/87/558075487.db2.gz DFCVKAZUUHDTTD-UXDRXVOSSA-N 2 2 370.497 2.151 20 30 FEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)cc1 ZINC000375740063 558075489 /nfs/dbraw/zinc/07/54/89/558075489.db2.gz DFCVKAZUUHDTTD-UXDRXVOSSA-N 2 2 370.497 2.151 20 30 FEEDLP C=CCCO[C@H](C)C(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000376681211 558207329 /nfs/dbraw/zinc/20/73/29/558207329.db2.gz QHWVDKZJWXAGRH-IAGOWNOFSA-N 2 2 360.502 2.355 20 30 FEEDLP C=C[C@@](C)(CCOC)C(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015689 559560812 /nfs/dbraw/zinc/56/08/12/559560812.db2.gz HKDFVGWYYAMRCG-FQEVSTJZSA-N 2 2 351.535 2.234 20 30 FEEDLP C=C[C@@](C)(CCOC)C(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000422015689 559560813 /nfs/dbraw/zinc/56/08/13/559560813.db2.gz HKDFVGWYYAMRCG-FQEVSTJZSA-N 2 2 351.535 2.234 20 30 FEEDLP COCC1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CC[NH2+]CC1 ZINC000423413339 559628258 /nfs/dbraw/zinc/62/82/58/559628258.db2.gz YXEIVVRMRLUNOW-UHFFFAOYSA-N 3 2 356.514 2.128 20 30 FEEDLP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495530 560231761 /nfs/dbraw/zinc/23/17/61/560231761.db2.gz HWLSIPCRLISLQU-OAQYLSRUSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495530 560231762 /nfs/dbraw/zinc/23/17/62/560231762.db2.gz HWLSIPCRLISLQU-OAQYLSRUSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495530 560231763 /nfs/dbraw/zinc/23/17/63/560231763.db2.gz HWLSIPCRLISLQU-OAQYLSRUSA-N 2 2 354.498 2.324 20 30 FEEDLP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)CC1 ZINC000449495530 560231764 /nfs/dbraw/zinc/23/17/64/560231764.db2.gz HWLSIPCRLISLQU-OAQYLSRUSA-N 2 2 354.498 2.324 20 30 FEEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000450229066 560254678 /nfs/dbraw/zinc/25/46/78/560254678.db2.gz WEAYQBIMDKFRFP-WCIQWLHISA-N 2 2 363.546 2.373 20 30 FEEDLP C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000450229066 560254679 /nfs/dbraw/zinc/25/46/79/560254679.db2.gz WEAYQBIMDKFRFP-WCIQWLHISA-N 2 2 363.546 2.373 20 30 FEEDLP C=CCOc1ccc(CC(=O)N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000450367700 560260235 /nfs/dbraw/zinc/26/02/35/560260235.db2.gz YZHWYUNJUNRCOV-SFHVURJKSA-N 2 2 371.525 2.421 20 30 FEEDLP C=CCOc1ccc(CC(=O)N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000450367700 560260236 /nfs/dbraw/zinc/26/02/36/560260236.db2.gz YZHWYUNJUNRCOV-SFHVURJKSA-N 2 2 371.525 2.421 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)C(C)(C)Cc2ccc(C#N)cc2)CC1 ZINC000455894448 560499514 /nfs/dbraw/zinc/49/95/14/560499514.db2.gz DZWSTIOXELQEOF-UHFFFAOYSA-N 2 2 356.514 2.269 20 30 FEEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528388263 562326357 /nfs/dbraw/zinc/32/63/57/562326357.db2.gz OSFCUZWFZVOWSP-GOSISDBHSA-N 2 2 365.477 2.236 20 30 FEEDLP O=C1c2ccccc2C(=O)N1CC#CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000528388263 562326358 /nfs/dbraw/zinc/32/63/58/562326358.db2.gz OSFCUZWFZVOWSP-GOSISDBHSA-N 2 2 365.477 2.236 20 30 FEEDLP COc1cc(C#N)ccc1OCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000534978583 562546616 /nfs/dbraw/zinc/54/66/16/562546616.db2.gz GQGIETJECSBSAF-UHFFFAOYSA-N 2 2 352.438 2.471 20 30 FEEDLP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000602950096 568020202 /nfs/dbraw/zinc/02/02/02/568020202.db2.gz IJPKTVRDIDVPFW-LJQANCHMSA-N 2 2 357.498 2.443 20 30 FEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000602722083 568023093 /nfs/dbraw/zinc/02/30/93/568023093.db2.gz LZIXBFCYABXRNO-PZJWPPBQSA-N 2 2 370.541 2.491 20 30 FEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000602722083 568023095 /nfs/dbraw/zinc/02/30/95/568023095.db2.gz LZIXBFCYABXRNO-PZJWPPBQSA-N 2 2 370.541 2.491 20 30 FEEDLP Cc1nc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000329395884 673076754 /nfs/dbraw/zinc/07/67/54/673076754.db2.gz UFJFSKSNHWYSLZ-CYBMUJFWSA-N 2 2 353.536 2.384 20 30 FEEDLP Cc1nc([C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000329395884 673076759 /nfs/dbraw/zinc/07/67/59/673076759.db2.gz UFJFSKSNHWYSLZ-CYBMUJFWSA-N 2 2 353.536 2.384 20 30 FEEDLP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000765415873 680841524 /nfs/dbraw/zinc/84/15/24/680841524.db2.gz DOZABPXONRHQKO-OAHLLOKOSA-N 2 2 351.878 2.243 20 30 FEEDLP C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)C1 ZINC000999184939 680397196 /nfs/dbraw/zinc/39/71/96/680397196.db2.gz GSAPNURGWHIRPJ-HYVNUMGLSA-N 2 2 362.905 2.487 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001039377233 680462989 /nfs/dbraw/zinc/46/29/89/680462989.db2.gz MTJRSJNTEFPGOZ-LVQVYYBASA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001039377233 680462987 /nfs/dbraw/zinc/46/29/87/680462987.db2.gz MTJRSJNTEFPGOZ-LVQVYYBASA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377233 680462991 /nfs/dbraw/zinc/46/29/91/680462991.db2.gz MTJRSJNTEFPGOZ-LVQVYYBASA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001039377233 680462994 /nfs/dbraw/zinc/46/29/94/680462994.db2.gz MTJRSJNTEFPGOZ-LVQVYYBASA-N 2 2 370.335 2.301 20 30 FEEDLP C[NH2+]C[C@@](C)(O)C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530519 684300036 /nfs/dbraw/zinc/30/00/36/684300036.db2.gz FAGZSFIBWXJEIU-HRDYMLBCSA-N 2 2 370.284 2.060 20 30 FEEDLP C[NH2+]C[C@@](C)(O)C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC000923530519 684300040 /nfs/dbraw/zinc/30/00/40/684300040.db2.gz FAGZSFIBWXJEIU-HRDYMLBCSA-N 2 2 370.284 2.060 20 30 FEEDLP Cc1[nH+]c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1CC#N ZINC001164769274 721210198 /nfs/dbraw/zinc/21/01/98/721210198.db2.gz LWTLEDPGGRLTCL-RTBURBONSA-N 2 2 350.470 2.148 20 30 FEEDLP Cc1[nH+]c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)ccc1CC#N ZINC001164769274 721210203 /nfs/dbraw/zinc/21/02/03/721210203.db2.gz LWTLEDPGGRLTCL-RTBURBONSA-N 2 2 350.470 2.148 20 30 FEEDLP CC[N@H+](CCC(=O)N(C)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000131740401 544204819 /nfs/dbraw/zinc/20/48/19/544204819.db2.gz YZXDNZBGSHXDMN-UHFFFAOYSA-N 2 2 357.502 2.382 20 30 FEEDLP CC[N@@H+](CCC(=O)N(C)CCC#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000131740401 544204820 /nfs/dbraw/zinc/20/48/20/544204820.db2.gz YZXDNZBGSHXDMN-UHFFFAOYSA-N 2 2 357.502 2.382 20 30 FEEDLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000266208196 329200692 /nfs/dbraw/zinc/20/06/92/329200692.db2.gz NFNPEKJLKKYAAQ-UHFFFAOYSA-N 3 2 365.481 2.264 20 30 FEEDLP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000156089821 545598336 /nfs/dbraw/zinc/59/83/36/545598336.db2.gz LLLFIMUFRFTPSF-GFCCVEGCSA-N 2 2 361.515 2.465 20 30 FEEDLP C[NH+]=C(NCc1c(C)noc1C)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000156089821 545598337 /nfs/dbraw/zinc/59/83/37/545598337.db2.gz LLLFIMUFRFTPSF-GFCCVEGCSA-N 2 2 361.515 2.465 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccnc3-n3cncn3)CC2)cc1 ZINC000181503968 547324132 /nfs/dbraw/zinc/32/41/32/547324132.db2.gz HFZZPZZDSGRUFK-UHFFFAOYSA-N 2 2 373.464 2.288 20 30 FEEDLP C=CCC[C@H](C)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000185476468 547990021 /nfs/dbraw/zinc/99/00/21/547990021.db2.gz BNYNHAOWLAPNCM-INIZCTEOSA-N 2 2 351.516 2.067 20 30 FEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193620199 548391434 /nfs/dbraw/zinc/39/14/34/548391434.db2.gz FWXADWNFXQNWBW-QRVBRYPASA-N 2 2 354.498 2.432 20 30 FEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c1 ZINC000193620199 548391438 /nfs/dbraw/zinc/39/14/38/548391438.db2.gz FWXADWNFXQNWBW-QRVBRYPASA-N 2 2 354.498 2.432 20 30 FEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c1 ZINC000193620199 548391441 /nfs/dbraw/zinc/39/14/41/548391441.db2.gz FWXADWNFXQNWBW-QRVBRYPASA-N 2 2 354.498 2.432 20 30 FEEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1 ZINC000193620199 548391444 /nfs/dbraw/zinc/39/14/44/548391444.db2.gz FWXADWNFXQNWBW-QRVBRYPASA-N 2 2 354.498 2.432 20 30 FEEDLP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249563134 549605626 /nfs/dbraw/zinc/60/56/26/549605626.db2.gz MFVQDTXUNCIRBN-VXKWHMMOSA-N 2 2 365.477 2.160 20 30 FEEDLP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249563134 549605629 /nfs/dbraw/zinc/60/56/29/549605629.db2.gz MFVQDTXUNCIRBN-VXKWHMMOSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249563134 549605632 /nfs/dbraw/zinc/60/56/32/549605632.db2.gz MFVQDTXUNCIRBN-VXKWHMMOSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249563134 549605633 /nfs/dbraw/zinc/60/56/33/549605633.db2.gz MFVQDTXUNCIRBN-VXKWHMMOSA-N 2 2 365.477 2.160 20 30 FEEDLP C[NH+]=C(NCc1cn2ccccc2n1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262026498 549781395 /nfs/dbraw/zinc/78/13/95/549781395.db2.gz ZUNYXVCSLMMNFR-DOTOQJQBSA-N 2 2 351.458 2.189 20 30 FEEDLP C=C(C)COc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1OC ZINC000264558344 549998057 /nfs/dbraw/zinc/99/80/57/549998057.db2.gz FAZXLXJJIQOLOC-KRWDZBQOSA-N 2 2 361.486 2.080 20 30 FEEDLP C=C(C)COc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)ccc1OC ZINC000264558344 549998058 /nfs/dbraw/zinc/99/80/58/549998058.db2.gz FAZXLXJJIQOLOC-KRWDZBQOSA-N 2 2 361.486 2.080 20 30 FEEDLP C[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000266991182 550026684 /nfs/dbraw/zinc/02/66/84/550026684.db2.gz BAOUXUCRQVBCQV-OAHLLOKOSA-N 2 2 354.454 2.263 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(n2c(C)[nH+]c3ccccc32)CC1 ZINC000280242237 550973966 /nfs/dbraw/zinc/97/39/66/550973966.db2.gz NMZDZJUPJNJKPH-AWEZNQCLSA-N 2 2 369.469 2.382 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282085746 551178756 /nfs/dbraw/zinc/17/87/56/551178756.db2.gz OJBBWGROCYZJDA-IRXDYDNUSA-N 2 2 357.502 2.407 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282085746 551178757 /nfs/dbraw/zinc/17/87/57/551178757.db2.gz OJBBWGROCYZJDA-IRXDYDNUSA-N 2 2 357.502 2.407 20 30 FEEDLP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc(C#N)c(OC)c2)CC1 ZINC000289547838 552338594 /nfs/dbraw/zinc/33/85/94/552338594.db2.gz IJWGCKNJPAHFIW-UHFFFAOYSA-N 2 2 361.486 2.126 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000504303839 561655975 /nfs/dbraw/zinc/65/59/75/561655975.db2.gz VSPNLOIRQSZWPO-UXHICEINSA-N 2 2 367.497 2.012 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000504303839 561655976 /nfs/dbraw/zinc/65/59/76/561655976.db2.gz VSPNLOIRQSZWPO-UXHICEINSA-N 2 2 367.497 2.012 20 30 FEEDLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)CC1 ZINC000329198127 553900444 /nfs/dbraw/zinc/90/04/44/553900444.db2.gz AHSPPBPBVXDZNX-UHFFFAOYSA-N 2 2 364.534 2.149 20 30 FEEDLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)CC1 ZINC000329198127 553900449 /nfs/dbraw/zinc/90/04/49/553900449.db2.gz AHSPPBPBVXDZNX-UHFFFAOYSA-N 2 2 364.534 2.149 20 30 FEEDLP CCN1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H]1c1[nH]cc[nH+]1 ZINC000329996538 554046211 /nfs/dbraw/zinc/04/62/11/554046211.db2.gz PBSHZEROGCKQRS-MRXNPFEDSA-N 2 2 362.522 2.265 20 30 FEEDLP N#Cc1ccc(NC(=O)CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1Cl ZINC000510238112 561829264 /nfs/dbraw/zinc/82/92/64/561829264.db2.gz OUDBHWRIFGKJRV-UHFFFAOYSA-N 2 2 372.860 2.081 20 30 FEEDLP C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000360438803 554875184 /nfs/dbraw/zinc/87/51/84/554875184.db2.gz ZYIQVCQOEGRZKC-KRWDZBQOSA-N 2 2 366.509 2.482 20 30 FEEDLP C[C@H]1CN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000360438803 554875186 /nfs/dbraw/zinc/87/51/86/554875186.db2.gz ZYIQVCQOEGRZKC-KRWDZBQOSA-N 2 2 366.509 2.482 20 30 FEEDLP C[NH+]1CCC(CNC(=O)c2ccc(CC#N)cc2)([NH+]2CCCCC2)CC1 ZINC000360742598 554888320 /nfs/dbraw/zinc/88/83/20/554888320.db2.gz ZGUGGDCDZLUGNA-UHFFFAOYSA-N 2 2 354.498 2.433 20 30 FEEDLP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000372360896 557449599 /nfs/dbraw/zinc/44/95/99/557449599.db2.gz XQTAKGZBFYDTPI-KBMXLJTQSA-N 2 2 362.499 2.037 20 30 FEEDLP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000372360896 557449601 /nfs/dbraw/zinc/44/96/01/557449601.db2.gz XQTAKGZBFYDTPI-KBMXLJTQSA-N 2 2 362.499 2.037 20 30 FEEDLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000375600198 558054819 /nfs/dbraw/zinc/05/48/19/558054819.db2.gz SMLKFCKMOPHWIW-NRFANRHFSA-N 2 2 356.514 2.348 20 30 FEEDLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000375600198 558054820 /nfs/dbraw/zinc/05/48/20/558054820.db2.gz SMLKFCKMOPHWIW-NRFANRHFSA-N 2 2 356.514 2.348 20 30 FEEDLP C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000376449177 558174779 /nfs/dbraw/zinc/17/47/79/558174779.db2.gz LXXCRUXMXMUGCN-CQSZACIVSA-N 2 2 372.904 2.464 20 30 FEEDLP C[C@@H]1CN(c2nc3cc(Cl)ccn3c2C#N)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000376449177 558174781 /nfs/dbraw/zinc/17/47/81/558174781.db2.gz LXXCRUXMXMUGCN-CQSZACIVSA-N 2 2 372.904 2.464 20 30 FEEDLP C=CC[NH+](CC=C)[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000411163988 558847188 /nfs/dbraw/zinc/84/71/88/558847188.db2.gz KZROADFTPQLPDL-SFHVURJKSA-N 2 2 357.498 2.198 20 30 FEEDLP C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411489516 558903696 /nfs/dbraw/zinc/90/36/96/558903696.db2.gz QKEMJBHADUZVRV-SFHVURJKSA-N 2 2 368.481 2.442 20 30 FEEDLP C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000411489516 558903698 /nfs/dbraw/zinc/90/36/98/558903698.db2.gz QKEMJBHADUZVRV-SFHVURJKSA-N 2 2 368.481 2.442 20 30 FEEDLP CCc1c[nH]c(CC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000602145521 567936669 /nfs/dbraw/zinc/93/66/69/567936669.db2.gz RUONSBJXLDEYQU-UHFFFAOYSA-N 2 2 351.454 2.189 20 30 FEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000602508425 567988963 /nfs/dbraw/zinc/98/89/63/567988963.db2.gz MNIOXDVIRBHQEE-YLJYHZDGSA-N 2 2 357.498 2.094 20 30 FEEDLP C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000602508425 567988964 /nfs/dbraw/zinc/98/89/64/567988964.db2.gz MNIOXDVIRBHQEE-YLJYHZDGSA-N 2 2 357.498 2.094 20 30 FEEDLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000569588352 568408699 /nfs/dbraw/zinc/40/86/99/568408699.db2.gz LEQKYRUDHKCCFE-CQSZACIVSA-N 2 2 362.499 2.133 20 30 FEEDLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000569588352 568408700 /nfs/dbraw/zinc/40/87/00/568408700.db2.gz LEQKYRUDHKCCFE-CQSZACIVSA-N 2 2 362.499 2.133 20 30 FEEDLP C=CCC[N@@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046973996 680654924 /nfs/dbraw/zinc/65/49/24/680654924.db2.gz BLICPHBNYYYKFV-RRFJBIMHSA-N 2 2 352.429 2.173 20 30 FEEDLP C=CCC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001046973996 680654926 /nfs/dbraw/zinc/65/49/26/680654926.db2.gz BLICPHBNYYYKFV-RRFJBIMHSA-N 2 2 352.429 2.173 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001049481245 681032560 /nfs/dbraw/zinc/03/25/60/681032560.db2.gz HVZDNAOJMITBMJ-LVQVYYBASA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001049481245 681032561 /nfs/dbraw/zinc/03/25/61/681032561.db2.gz HVZDNAOJMITBMJ-LVQVYYBASA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049481245 681032562 /nfs/dbraw/zinc/03/25/62/681032562.db2.gz HVZDNAOJMITBMJ-LVQVYYBASA-N 2 2 370.335 2.301 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001049481245 681032563 /nfs/dbraw/zinc/03/25/63/681032563.db2.gz HVZDNAOJMITBMJ-LVQVYYBASA-N 2 2 370.335 2.301 20 30 FEEDLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4[nH+]ccc5[nH]cc(C#N)c54)C[C@H]3C2)cn1 ZINC001164773334 721180326 /nfs/dbraw/zinc/18/03/26/721180326.db2.gz WHTHXEVHRNFIEB-DOTOQJQBSA-N 2 2 361.453 2.126 20 30 FEEDLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4[nH+]ccc5[nH]cc(C#N)c54)C[C@H]3C2)cn1 ZINC001164773334 721180342 /nfs/dbraw/zinc/18/03/42/721180342.db2.gz WHTHXEVHRNFIEB-DOTOQJQBSA-N 2 2 361.453 2.126 20 30 FEEDLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C[NH+]1CCCC1 ZINC000079633796 542532720 /nfs/dbraw/zinc/53/27/20/542532720.db2.gz CMKILCGYADACCH-GOSISDBHSA-N 2 2 369.513 2.117 20 30 FEEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000087497156 542746453 /nfs/dbraw/zinc/74/64/53/542746453.db2.gz LGCJMJPQBDDLNO-RYUDHWBXSA-N 2 2 360.428 2.272 20 30 FEEDLP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000130572507 544156436 /nfs/dbraw/zinc/15/64/36/544156436.db2.gz DEILIYILGFNRTE-IBGZPJMESA-N 2 2 363.465 2.052 20 30 FEEDLP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCn4c[nH+]cc4C3)CC2)cc1 ZINC000130572507 544156438 /nfs/dbraw/zinc/15/64/38/544156438.db2.gz DEILIYILGFNRTE-IBGZPJMESA-N 2 2 363.465 2.052 20 30 FEEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131338731 544186414 /nfs/dbraw/zinc/18/64/14/544186414.db2.gz ITHQATDYGDGDHL-IBGZPJMESA-N 2 2 354.498 2.402 20 30 FEEDLP CC(C)(C#N)c1ccccc1C[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131338731 544186417 /nfs/dbraw/zinc/18/64/17/544186417.db2.gz ITHQATDYGDGDHL-IBGZPJMESA-N 2 2 354.498 2.402 20 30 FEEDLP N#CCCN(C(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000131822820 544208277 /nfs/dbraw/zinc/20/82/77/544208277.db2.gz HIEGALYTGHWOLE-LJQANCHMSA-N 2 2 350.422 2.482 20 30 FEEDLP N#CCCN(C(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000131822820 544208279 /nfs/dbraw/zinc/20/82/79/544208279.db2.gz HIEGALYTGHWOLE-LJQANCHMSA-N 2 2 350.422 2.482 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000133154693 544258016 /nfs/dbraw/zinc/25/80/16/544258016.db2.gz VQTZYKUKMUBYEY-MOPGFXCFSA-N 2 2 361.436 2.171 20 30 FEEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000133154693 544258018 /nfs/dbraw/zinc/25/80/18/544258018.db2.gz VQTZYKUKMUBYEY-MOPGFXCFSA-N 2 2 361.436 2.171 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@H]3COC4(CCOCC4)O3)CC2)cc1 ZINC000179995668 327667592 /nfs/dbraw/zinc/66/75/92/327667592.db2.gz DEMJDOXBEIWGCA-FQEVSTJZSA-N 2 2 371.481 2.034 20 30 FEEDLP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000174885017 327358052 /nfs/dbraw/zinc/35/80/52/327358052.db2.gz LPZUZTNQKGXDIM-LJQANCHMSA-N 2 2 351.498 2.413 20 30 FEEDLP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cn4ccccc4c3C#N)C2)CC1 ZINC000174885017 327358053 /nfs/dbraw/zinc/35/80/53/327358053.db2.gz LPZUZTNQKGXDIM-LJQANCHMSA-N 2 2 351.498 2.413 20 30 FEEDLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000271169514 329668844 /nfs/dbraw/zinc/66/88/44/329668844.db2.gz IHVFLHZNRCFROO-UHFFFAOYSA-N 2 2 354.454 2.414 20 30 FEEDLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000478221931 561162454 /nfs/dbraw/zinc/16/24/54/561162454.db2.gz CDRQDCXGPMQAKT-HXUWFJFHSA-N 2 2 367.497 2.141 20 30 FEEDLP C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000160117514 546009422 /nfs/dbraw/zinc/00/94/22/546009422.db2.gz MJHCIKXUTBXNIU-RHSMWYFYSA-N 2 2 372.448 2.119 20 30 FEEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000179310583 546929014 /nfs/dbraw/zinc/92/90/14/546929014.db2.gz DJMCRSFXRAOMQS-UHFFFAOYSA-N 2 2 369.513 2.258 20 30 FEEDLP C[C@H]([C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)N1CCOCC1 ZINC000181710284 547364617 /nfs/dbraw/zinc/36/46/17/547364617.db2.gz LRFMQRLUYCKEEH-ZWKOTPCHSA-N 2 2 356.514 2.221 20 30 FEEDLP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000184934489 547903221 /nfs/dbraw/zinc/90/32/21/547903221.db2.gz YTMYCAZRSQGRNG-FQEVSTJZSA-N 2 2 350.466 2.409 20 30 FEEDLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000184934489 547903227 /nfs/dbraw/zinc/90/32/27/547903227.db2.gz YTMYCAZRSQGRNG-FQEVSTJZSA-N 2 2 350.466 2.409 20 30 FEEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000489444253 561411430 /nfs/dbraw/zinc/41/14/30/561411430.db2.gz WDXSDQIYUXLVNA-HXUWFJFHSA-N 2 2 369.509 2.306 20 30 FEEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000489444253 561411431 /nfs/dbraw/zinc/41/14/31/561411431.db2.gz WDXSDQIYUXLVNA-HXUWFJFHSA-N 2 2 369.509 2.306 20 30 FEEDLP C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261952163 549773936 /nfs/dbraw/zinc/77/39/36/549773936.db2.gz HTGHSNLTPXZFHQ-WMZOPIPTSA-N 2 2 365.485 2.498 20 30 FEEDLP C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000262014482 549779355 /nfs/dbraw/zinc/77/93/55/549779355.db2.gz XKYQYUQAVIWUGO-NVXWUHKLSA-N 2 2 355.490 2.074 20 30 FEEDLP Cc1ncsc1CCO[NH+]=C(N)c1ccccc1C[NH+]1CCC(O)CC1 ZINC000267032432 550027354 /nfs/dbraw/zinc/02/73/54/550027354.db2.gz BGZZPOQLIWDUGX-UHFFFAOYSA-N 2 2 374.510 2.288 20 30 FEEDLP C[NH+](C)Cc1ccc(C(N)=[NH+]OCCOCC(F)(F)C(F)F)cc1 ZINC000276103723 550576840 /nfs/dbraw/zinc/57/68/40/550576840.db2.gz UAWYGXGIANACHB-UHFFFAOYSA-N 2 2 351.344 2.302 20 30 FEEDLP CCN(C[C@@H](C)C#N)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278758622 550818959 /nfs/dbraw/zinc/81/89/59/550818959.db2.gz BJJJNPUVGQEENY-INIZCTEOSA-N 2 2 357.502 2.407 20 30 FEEDLP Cn1cc[nH+]c1N1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000328857284 553834084 /nfs/dbraw/zinc/83/40/84/553834084.db2.gz XTEAZFUMJGAYJT-UHFFFAOYSA-N 2 2 357.502 2.467 20 30 FEEDLP [O-]C(NCC1([NH+]2CCSCC2)CCCC1)=[NH+][C@H]1CCn2cc[nH+]c2C1 ZINC000330168684 554077439 /nfs/dbraw/zinc/07/74/39/554077439.db2.gz AYYJVWKJSCYGED-HNNXBMFYSA-N 2 2 363.531 2.063 20 30 FEEDLP O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000330168684 554077440 /nfs/dbraw/zinc/07/74/40/554077440.db2.gz AYYJVWKJSCYGED-HNNXBMFYSA-N 2 2 363.531 2.063 20 30 FEEDLP CC[C@@H]1CN(C(=O)Nc2ccc3[nH+]c(C)cn3c2)C[C@H]1[NH+]1CCOCC1 ZINC000330269825 554096371 /nfs/dbraw/zinc/09/63/71/554096371.db2.gz SKWIEJZMNJVBLE-NVXWUHKLSA-N 2 2 357.458 2.231 20 30 FEEDLP Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCO1 ZINC000330336061 554107254 /nfs/dbraw/zinc/10/72/54/554107254.db2.gz SBDDHUTXYFFWNC-CJNGLKHVSA-N 2 2 363.506 2.453 20 30 FEEDLP Cc1ncc(C[N@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000364920499 555437657 /nfs/dbraw/zinc/43/76/57/555437657.db2.gz ZEQQSNIUPXPXFE-ZQIUZPCESA-N 2 2 363.531 2.012 20 30 FEEDLP Cc1ncc(C[N@@H+]2CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@@H](C)C2)s1 ZINC000364920499 555437659 /nfs/dbraw/zinc/43/76/59/555437659.db2.gz ZEQQSNIUPXPXFE-ZQIUZPCESA-N 2 2 363.531 2.012 20 30 FEEDLP C[NH+]1CCCC12CC[NH+](CC#CCN1CCC3(CCC[N@H+]3C)CC1)CC2 ZINC000367463019 556057115 /nfs/dbraw/zinc/05/71/15/556057115.db2.gz JLOVIDGKPWWWBI-UHFFFAOYSA-N 3 2 358.574 2.110 20 30 FEEDLP C[NH+]1CCCC12CC[NH+](CC#CCN1CCC3(CCC[N@@H+]3C)CC1)CC2 ZINC000367463019 556057116 /nfs/dbraw/zinc/05/71/16/556057116.db2.gz JLOVIDGKPWWWBI-UHFFFAOYSA-N 3 2 358.574 2.110 20 30 FEEDLP C[NH+]1CCCC12CCN(CC#CC[NH+]1CCC3(CCC[N@@H+]3C)CC1)CC2 ZINC000367463019 556057118 /nfs/dbraw/zinc/05/71/18/556057118.db2.gz JLOVIDGKPWWWBI-UHFFFAOYSA-N 3 2 358.574 2.110 20 30 FEEDLP C[NH+]1CCCC12CCN(CC#CC[NH+]1CCC3(CCC[N@H+]3C)CC1)CC2 ZINC000367463019 556057120 /nfs/dbraw/zinc/05/71/20/556057120.db2.gz JLOVIDGKPWWWBI-UHFFFAOYSA-N 3 2 358.574 2.110 20 30 FEEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000373950521 557794823 /nfs/dbraw/zinc/79/48/23/557794823.db2.gz PRADYNUVYDEDGL-QGZVFWFLSA-N 2 2 356.474 2.299 20 30 FEEDLP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000373950521 557794826 /nfs/dbraw/zinc/79/48/26/557794826.db2.gz PRADYNUVYDEDGL-QGZVFWFLSA-N 2 2 356.474 2.299 20 30 FEEDLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000389825718 558609618 /nfs/dbraw/zinc/60/96/18/558609618.db2.gz QHDYRZRWWCRYMP-QMMLZNLJSA-N 2 2 365.477 2.408 20 30 FEEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000389825718 558609619 /nfs/dbraw/zinc/60/96/19/558609619.db2.gz QHDYRZRWWCRYMP-QMMLZNLJSA-N 2 2 365.477 2.408 20 30 FEEDLP N#Cc1ccc(C[NH2+]CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000421327380 559539208 /nfs/dbraw/zinc/53/92/08/559539208.db2.gz PVWZMDULCNHUDN-UHFFFAOYSA-N 3 2 353.445 2.394 20 30 FEEDLP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000435023547 559914600 /nfs/dbraw/zinc/91/46/00/559914600.db2.gz LLOVSJWQEWDEPC-RBUKOAKNSA-N 2 2 359.470 2.205 20 30 FEEDLP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C(=O)OC)c2cccc(C#N)c2)C1 ZINC000435023547 559914601 /nfs/dbraw/zinc/91/46/01/559914601.db2.gz LLOVSJWQEWDEPC-RBUKOAKNSA-N 2 2 359.470 2.205 20 30 FEEDLP N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000528427781 562328784 /nfs/dbraw/zinc/32/87/84/562328784.db2.gz KWYXISHGODYMLH-SFHVURJKSA-N 2 2 352.438 2.269 20 30 FEEDLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569595108 568409052 /nfs/dbraw/zinc/40/90/52/568409052.db2.gz FONNMWKIGBBNBP-SFHVURJKSA-N 2 2 363.527 2.290 20 30 FEEDLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000569595108 568409053 /nfs/dbraw/zinc/40/90/53/568409053.db2.gz FONNMWKIGBBNBP-SFHVURJKSA-N 2 2 363.527 2.290 20 30 FEEDLP C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247061035 672846547 /nfs/dbraw/zinc/84/65/47/672846547.db2.gz VLXCFMZWNWFRBX-QZTJIDSGSA-N 2 2 357.564 2.161 20 30 FEEDLP C=CCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247061035 672846552 /nfs/dbraw/zinc/84/65/52/672846552.db2.gz VLXCFMZWNWFRBX-QZTJIDSGSA-N 2 2 357.564 2.161 20 30 FEEDLP [NH2+]=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)N1CCOCC1 ZINC000262551907 672917960 /nfs/dbraw/zinc/91/79/60/672917960.db2.gz YQLJICQBPWJLPK-QGZVFWFLSA-N 2 2 350.894 2.341 20 30 FEEDLP [NH2+]=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)N1CCOCC1 ZINC000262551907 672917964 /nfs/dbraw/zinc/91/79/64/672917964.db2.gz YQLJICQBPWJLPK-QGZVFWFLSA-N 2 2 350.894 2.341 20 30 FEEDLP C=C(Cl)C[NH2+]C1CCN(C(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)CC1 ZINC000996579950 680335336 /nfs/dbraw/zinc/33/53/36/680335336.db2.gz FSOJMQLFXKVAMI-RHSMWYFYSA-N 2 2 362.905 2.487 20 30 FEEDLP C=C(Br)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001027892949 680363773 /nfs/dbraw/zinc/36/37/73/680363773.db2.gz IFHLBFMOVGGRQR-SOUVJXGZSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001027892949 680363776 /nfs/dbraw/zinc/36/37/76/680363776.db2.gz IFHLBFMOVGGRQR-SOUVJXGZSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027892949 680363778 /nfs/dbraw/zinc/36/37/78/680363778.db2.gz IFHLBFMOVGGRQR-SOUVJXGZSA-N 2 2 358.324 2.206 20 30 FEEDLP C=C(Br)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001027892949 680363780 /nfs/dbraw/zinc/36/37/80/680363780.db2.gz IFHLBFMOVGGRQR-SOUVJXGZSA-N 2 2 358.324 2.206 20 30 FEEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH]c[nH+]3)C2)s1 ZINC000999414818 680402781 /nfs/dbraw/zinc/40/27/81/680402781.db2.gz XHRUIXNBSWXTNL-APHBMKBZSA-N 2 2 355.467 2.227 20 30 FEEDLP N#Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[C@H]3c3c[nH+]c[nH]3)C2)s1 ZINC000999414818 680402784 /nfs/dbraw/zinc/40/27/84/680402784.db2.gz XHRUIXNBSWXTNL-APHBMKBZSA-N 2 2 355.467 2.227 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001033095602 680417833 /nfs/dbraw/zinc/41/78/33/680417833.db2.gz CDAPAGOJNKXHMU-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001033095602 680417834 /nfs/dbraw/zinc/41/78/34/680417834.db2.gz CDAPAGOJNKXHMU-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033095602 680417835 /nfs/dbraw/zinc/41/78/35/680417835.db2.gz CDAPAGOJNKXHMU-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP C=C(Br)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001033095602 680417836 /nfs/dbraw/zinc/41/78/36/680417836.db2.gz CDAPAGOJNKXHMU-QLFBSQMISA-N 2 2 358.324 2.158 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cc1 ZINC000081112046 542633578 /nfs/dbraw/zinc/63/35/78/542633578.db2.gz LHADWXJYUXRXHN-VQTJNVASSA-N 2 2 352.482 2.077 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)CC2)cc1 ZINC000081112046 542633580 /nfs/dbraw/zinc/63/35/80/542633580.db2.gz LHADWXJYUXRXHN-VQTJNVASSA-N 2 2 352.482 2.077 20 30 FEEDLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n2c1 ZINC000192243490 328308730 /nfs/dbraw/zinc/30/87/30/328308730.db2.gz SKJJIZZNOIXXQF-LJQANCHMSA-N 2 2 359.433 2.405 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1C#N ZINC000174264242 327316189 /nfs/dbraw/zinc/31/61/89/327316189.db2.gz HMRYZZHHNKLHGD-HXUWFJFHSA-N 2 2 351.450 2.076 20 30 FEEDLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1C#N ZINC000174264242 327316191 /nfs/dbraw/zinc/31/61/91/327316191.db2.gz HMRYZZHHNKLHGD-HXUWFJFHSA-N 2 2 351.450 2.076 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000173398279 546280476 /nfs/dbraw/zinc/28/04/76/546280476.db2.gz DNPJLJDPRJYFNZ-OAHLLOKOSA-N 2 2 351.516 2.238 20 30 FEEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 ZINC000177908632 546705975 /nfs/dbraw/zinc/70/59/75/546705975.db2.gz MDBAHTDSDBDSSC-CQSZACIVSA-N 2 2 352.500 2.400 20 30 FEEDLP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000483193434 561269926 /nfs/dbraw/zinc/26/99/26/561269926.db2.gz IHTPFPBZGLGEEI-OAHLLOKOSA-N 2 2 365.437 2.111 20 30 FEEDLP C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000489406150 561410243 /nfs/dbraw/zinc/41/02/43/561410243.db2.gz RUKGHCZBONLVRP-LJQANCHMSA-N 2 2 357.498 2.380 20 30 FEEDLP C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000489406150 561410244 /nfs/dbraw/zinc/41/02/44/561410244.db2.gz RUKGHCZBONLVRP-LJQANCHMSA-N 2 2 357.498 2.380 20 30 FEEDLP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000489763965 561418573 /nfs/dbraw/zinc/41/85/73/561418573.db2.gz VTNMRYINMIVPSE-UXHICEINSA-N 2 2 369.513 2.258 20 30 FEEDLP CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261931035 549771309 /nfs/dbraw/zinc/77/13/09/549771309.db2.gz BIOZPSMARGNFAK-FCEWJHQRSA-N 2 2 359.474 2.232 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668211 550809608 /nfs/dbraw/zinc/80/96/08/550809608.db2.gz NVVDKOGVWRAFDM-DNVCBOLYSA-N 2 2 350.470 2.431 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000278668211 550809609 /nfs/dbraw/zinc/80/96/09/550809609.db2.gz NVVDKOGVWRAFDM-DNVCBOLYSA-N 2 2 350.470 2.431 20 30 FEEDLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000285702119 551797552 /nfs/dbraw/zinc/79/75/52/551797552.db2.gz VZAVAIAXOBGIBC-UHFFFAOYSA-N 2 2 374.504 2.459 20 30 FEEDLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000285702119 551797553 /nfs/dbraw/zinc/79/75/53/551797553.db2.gz VZAVAIAXOBGIBC-UHFFFAOYSA-N 2 2 374.504 2.459 20 30 FEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000285808629 551813803 /nfs/dbraw/zinc/81/38/03/551813803.db2.gz WHYDJFUBSPVKPF-BPIHKTFHSA-N 2 2 370.497 2.323 20 30 FEEDLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(OCC#N)cc1 ZINC000285808629 551813805 /nfs/dbraw/zinc/81/38/05/551813805.db2.gz WHYDJFUBSPVKPF-BPIHKTFHSA-N 2 2 370.497 2.323 20 30 FEEDLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968388 552775809 /nfs/dbraw/zinc/77/58/09/552775809.db2.gz MCTZXLJDKQMHFE-FPOVZHCZSA-N 2 2 352.482 2.471 20 30 FEEDLP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968388 552775812 /nfs/dbraw/zinc/77/58/12/552775812.db2.gz MCTZXLJDKQMHFE-FPOVZHCZSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968388 552775814 /nfs/dbraw/zinc/77/58/14/552775814.db2.gz MCTZXLJDKQMHFE-FPOVZHCZSA-N 2 2 352.482 2.471 20 30 FEEDLP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)C1 ZINC000292968388 552775815 /nfs/dbraw/zinc/77/58/15/552775815.db2.gz MCTZXLJDKQMHFE-FPOVZHCZSA-N 2 2 352.482 2.471 20 30 FEEDLP C#CC[N@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000297509509 553301925 /nfs/dbraw/zinc/30/19/25/553301925.db2.gz OYYMDWYJIDIQOA-UXHICEINSA-N 2 2 365.481 2.366 20 30 FEEDLP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000297509509 553301927 /nfs/dbraw/zinc/30/19/27/553301927.db2.gz OYYMDWYJIDIQOA-UXHICEINSA-N 2 2 365.481 2.366 20 30 FEEDLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1OCCCC#N ZINC000299670943 553601067 /nfs/dbraw/zinc/60/10/67/553601067.db2.gz YKYOXKXBCMRBQU-SFHVURJKSA-N 2 2 361.486 2.314 20 30 FEEDLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000328684869 553806626 /nfs/dbraw/zinc/80/66/26/553806626.db2.gz PXGJUDLDSOAEEH-IEBWSBKVSA-N 2 2 374.529 2.436 20 30 FEEDLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000328684869 553806631 /nfs/dbraw/zinc/80/66/31/553806631.db2.gz PXGJUDLDSOAEEH-IEBWSBKVSA-N 2 2 374.529 2.436 20 30 FEEDLP O=C(N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000328774647 553820120 /nfs/dbraw/zinc/82/01/20/553820120.db2.gz KJIUWMUUOKHTKL-GOSISDBHSA-N 2 2 373.501 2.164 20 30 FEEDLP O=C(N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000328774647 553820121 /nfs/dbraw/zinc/82/01/21/553820121.db2.gz KJIUWMUUOKHTKL-GOSISDBHSA-N 2 2 373.501 2.164 20 30 FEEDLP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328903115 553842114 /nfs/dbraw/zinc/84/21/14/553842114.db2.gz HLEQZGJLYDMGAW-NEWSRXKRSA-N 2 2 354.454 2.037 20 30 FEEDLP O=C(NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000328903115 553842118 /nfs/dbraw/zinc/84/21/18/553842118.db2.gz HLEQZGJLYDMGAW-NEWSRXKRSA-N 2 2 354.454 2.037 20 30 FEEDLP CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328940856 553849949 /nfs/dbraw/zinc/84/99/49/553849949.db2.gz FDBOOPAYJWAGBJ-GUDVDZBRSA-N 2 2 365.518 2.086 20 30 FEEDLP CO[C@@H]1CCC[C@@H]1[C@H]1COCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000328940856 553849950 /nfs/dbraw/zinc/84/99/50/553849950.db2.gz FDBOOPAYJWAGBJ-GUDVDZBRSA-N 2 2 365.518 2.086 20 30 FEEDLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@@H]1C ZINC000329606081 553975544 /nfs/dbraw/zinc/97/55/44/553975544.db2.gz ZQDYPSMDSSWAKG-BBWFWOEESA-N 2 2 352.523 2.149 20 30 FEEDLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@@H]1C ZINC000329606081 553975547 /nfs/dbraw/zinc/97/55/47/553975547.db2.gz ZQDYPSMDSSWAKG-BBWFWOEESA-N 2 2 352.523 2.149 20 30 FEEDLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@@H]1C ZINC000329606081 553975554 /nfs/dbraw/zinc/97/55/54/553975554.db2.gz ZQDYPSMDSSWAKG-BBWFWOEESA-N 2 2 352.523 2.149 20 30 FEEDLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)C(=O)N2CCCCC2)C[C@@H]1C ZINC000329606081 553975558 /nfs/dbraw/zinc/97/55/58/553975558.db2.gz ZQDYPSMDSSWAKG-BBWFWOEESA-N 2 2 352.523 2.149 20 30 FEEDLP O=C(NCc1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329800322 554008188 /nfs/dbraw/zinc/00/81/88/554008188.db2.gz IJFNVKFJOZURSB-IBGZPJMESA-N 2 2 369.469 2.083 20 30 FEEDLP CCN1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H]1c1[nH]cc[nH+]1 ZINC000329948297 554037407 /nfs/dbraw/zinc/03/74/07/554037407.db2.gz YWWAQRVCAPKCHT-INIZCTEOSA-N 2 2 362.522 2.267 20 30 FEEDLP C[C@@H](C#N)Oc1ccc(C[NH2+]C2CC[NH+](CC(=O)N3CCCC3)CC2)cc1 ZINC000364187890 555265711 /nfs/dbraw/zinc/26/57/11/555265711.db2.gz KELCYEJWGJJONO-KRWDZBQOSA-N 2 2 370.497 2.154 20 30 FEEDLP C[C@@H]1C[N@@H+](C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)CCO1 ZINC000364729576 555387281 /nfs/dbraw/zinc/38/72/81/555387281.db2.gz IODHJOPKCYSWAA-CQSZACIVSA-N 2 2 362.499 2.133 20 30 FEEDLP C[C@@H]1C[N@H+](C2CC[NH+](CCC(=O)Nc3sccc3C#N)CC2)CCO1 ZINC000364729576 555387283 /nfs/dbraw/zinc/38/72/83/555387283.db2.gz IODHJOPKCYSWAA-CQSZACIVSA-N 2 2 362.499 2.133 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368243849 556257313 /nfs/dbraw/zinc/25/73/13/556257313.db2.gz QTLXUAXIPXZROV-SJBKTWHCSA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368243849 556257314 /nfs/dbraw/zinc/25/73/14/556257314.db2.gz QTLXUAXIPXZROV-SJBKTWHCSA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368243849 556257315 /nfs/dbraw/zinc/25/73/15/556257315.db2.gz QTLXUAXIPXZROV-SJBKTWHCSA-N 2 2 368.525 2.495 20 30 FEEDLP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368243849 556257316 /nfs/dbraw/zinc/25/73/16/556257316.db2.gz QTLXUAXIPXZROV-SJBKTWHCSA-N 2 2 368.525 2.495 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417261 556302261 /nfs/dbraw/zinc/30/22/61/556302261.db2.gz QMESTDBXNWCCAR-PBWTXFEYSA-N 2 2 370.497 2.364 20 30 FEEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ccccc1C#N ZINC000368417261 556302262 /nfs/dbraw/zinc/30/22/62/556302262.db2.gz QMESTDBXNWCCAR-PBWTXFEYSA-N 2 2 370.497 2.364 20 30 FEEDLP C=CCOCCCC(=O)N(Cc1[nH+]ccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000370160030 556798115 /nfs/dbraw/zinc/79/81/15/556798115.db2.gz HSMGQOUABZRRQZ-QGZVFWFLSA-N 2 2 360.502 2.357 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(=O)N(CCC#N)c1ccccc1 ZINC000371292719 557133957 /nfs/dbraw/zinc/13/39/57/557133957.db2.gz DEYZXXINOJDMGF-HSALFYBXSA-N 2 2 370.497 2.117 20 30 FEEDLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC(=O)N(CCC#N)c1ccccc1 ZINC000371292719 557133960 /nfs/dbraw/zinc/13/39/60/557133960.db2.gz DEYZXXINOJDMGF-HSALFYBXSA-N 2 2 370.497 2.117 20 30 FEEDLP Cc1c(C#N)cccc1NC(=O)N1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373166036 557642437 /nfs/dbraw/zinc/64/24/37/557642437.db2.gz KWWFVXWKAYFSSU-OAHLLOKOSA-N 2 2 355.486 2.499 20 30 FEEDLP Cc1c(C#N)cccc1NC(=O)N1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373166036 557642439 /nfs/dbraw/zinc/64/24/39/557642439.db2.gz KWWFVXWKAYFSSU-OAHLLOKOSA-N 2 2 355.486 2.499 20 30 FEEDLP C[N@@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375773590 558079550 /nfs/dbraw/zinc/07/95/50/558079550.db2.gz AMSOIDNVDAXWIN-ICSRJNTNSA-N 2 2 369.513 2.349 20 30 FEEDLP C[N@H+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000375773590 558079552 /nfs/dbraw/zinc/07/95/52/558079552.db2.gz AMSOIDNVDAXWIN-ICSRJNTNSA-N 2 2 369.513 2.349 20 30 FEEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375773590 558079553 /nfs/dbraw/zinc/07/95/53/558079553.db2.gz AMSOIDNVDAXWIN-ICSRJNTNSA-N 2 2 369.513 2.349 20 30 FEEDLP C[NH+](CC(=O)NC1(C#N)CCCCC1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375773590 558079554 /nfs/dbraw/zinc/07/95/54/558079554.db2.gz AMSOIDNVDAXWIN-ICSRJNTNSA-N 2 2 369.513 2.349 20 30 FEEDLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000388277832 558608797 /nfs/dbraw/zinc/60/87/97/558608797.db2.gz POTSAFAPRKJEEG-YLJYHZDGSA-N 2 2 353.466 2.408 20 30 FEEDLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000388277832 558608798 /nfs/dbraw/zinc/60/87/98/558608798.db2.gz POTSAFAPRKJEEG-YLJYHZDGSA-N 2 2 353.466 2.408 20 30 FEEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000418451655 559402251 /nfs/dbraw/zinc/40/22/51/559402251.db2.gz NAYDKERNTZSCCH-FQEVSTJZSA-N 2 2 363.465 2.085 20 30 FEEDLP CC[NH+]1CCC([N@H+]2CCCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)CC1 ZINC000420984404 559517185 /nfs/dbraw/zinc/51/71/85/559517185.db2.gz SZGSWOJUKJYUQP-UHFFFAOYSA-N 2 2 371.485 2.458 20 30 FEEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C ZINC000441388536 560030923 /nfs/dbraw/zinc/03/09/23/560030923.db2.gz RZOAWLDGNMUNCZ-WMZOPIPTSA-N 2 2 369.469 2.231 20 30 FEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000602508418 567988972 /nfs/dbraw/zinc/98/89/72/567988972.db2.gz MNIOXDVIRBHQEE-FXAWDEMLSA-N 2 2 357.498 2.094 20 30 FEEDLP C[C@@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000602508418 567988973 /nfs/dbraw/zinc/98/89/73/567988973.db2.gz MNIOXDVIRBHQEE-FXAWDEMLSA-N 2 2 357.498 2.094 20 30 FEEDLP [NH2+]=C(NCCc1cccs1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000303777537 673017421 /nfs/dbraw/zinc/01/74/21/673017421.db2.gz IXRIUZSSXPQNRC-UHFFFAOYSA-N 2 2 350.532 2.230 20 30 FEEDLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccc(C#N)s2)CC[N@@H+]1C ZINC001029313627 680388123 /nfs/dbraw/zinc/38/81/23/680388123.db2.gz IGSKRMOUKQBTRP-ZXFNITATSA-N 2 2 358.511 2.135 20 30 FEEDLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccc(C#N)s2)CC[N@H+]1C ZINC001029313627 680388127 /nfs/dbraw/zinc/38/81/27/680388127.db2.gz IGSKRMOUKQBTRP-ZXFNITATSA-N 2 2 358.511 2.135 20 30 FEEDLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001029313627 680388131 /nfs/dbraw/zinc/38/81/31/680388131.db2.gz IGSKRMOUKQBTRP-ZXFNITATSA-N 2 2 358.511 2.135 20 30 FEEDLP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccc(C#N)s2)CC[NH+]1C ZINC001029313627 680388134 /nfs/dbraw/zinc/38/81/34/680388134.db2.gz IGSKRMOUKQBTRP-ZXFNITATSA-N 2 2 358.511 2.135 20 30 FEEDLP