smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177685667 1021441361 /nfs/dbraw/zinc/44/13/61/1021441361.db2.gz NQPRWMMIBSUJFS-INIZCTEOSA-N 2 0 339.508 4.141 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000180182706 1022138861 /nfs/dbraw/zinc/13/88/61/1022138861.db2.gz BHMAKDSCGXGKJY-INIZCTEOSA-N 2 0 331.529 4.096 20 30 EIEDRP C=CCN1CCC([NH2+][C@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000177909366 1022827097 /nfs/dbraw/zinc/82/70/97/1022827097.db2.gz QPWFBCSSKAIIHB-LJQANCHMSA-N 2 0 341.543 4.368 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000541088669 1023177755 /nfs/dbraw/zinc/17/77/55/1023177755.db2.gz OFBXVRYGMCURBE-SFHVURJKSA-N 2 0 327.516 4.453 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500115977 1023514773 /nfs/dbraw/zinc/51/47/73/1023514773.db2.gz WLUMMFXCQZCKMF-KPQWGBOZSA-N 2 0 339.527 4.245 20 30 EIEDRP Cc1ccc(C[NH+]2CCC(C[NH2+]CC(C)(C)CCC#N)CC2)cc1 ZINC000364299362 1023589872 /nfs/dbraw/zinc/58/98/72/1023589872.db2.gz GGCQMCYXGJTJLJ-UHFFFAOYSA-N 2 0 327.516 4.127 20 30 EIEDRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181810994 1024495041 /nfs/dbraw/zinc/49/50/41/1024495041.db2.gz MXHSOBDEAZKEAB-DEYYWGMASA-N 2 0 345.537 4.415 20 30 EIEDRP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220901 1026343888 /nfs/dbraw/zinc/34/38/88/1026343888.db2.gz LEEULMLEQGTQEH-FYYLOGMGSA-N 2 0 347.506 4.164 20 30 EIEDRP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000091412227 1026975568 /nfs/dbraw/zinc/97/55/68/1026975568.db2.gz UAMKIOMUYPUCPO-QGZVFWFLSA-N 2 0 333.479 4.045 20 30 EIEDRP C#CCOc1ccc(C[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)cc1 ZINC000237410805 1026989641 /nfs/dbraw/zinc/98/96/41/1026989641.db2.gz TYYPNTWKMVOWMM-LJQANCHMSA-N 2 0 348.490 4.014 20 30 EIEDRP C=CC[C@H]1[N@H+](Cc2nc3c(s2)CN(C(C)C)CC3)CCCC1(C)C ZINC000446828503 1029593329 /nfs/dbraw/zinc/59/33/29/1029593329.db2.gz VJKATQHHAMVIFN-GOSISDBHSA-N 2 0 347.572 4.476 20 30 EIEDRP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750079 1029806726 /nfs/dbraw/zinc/80/67/26/1029806726.db2.gz NTXDIIMMLJTUSV-BSIFCXSSSA-N 2 0 325.500 4.252 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000525708417 1029945116 /nfs/dbraw/zinc/94/51/16/1029945116.db2.gz OGWKRHCDSXSFBK-UHFFFAOYSA-N 2 0 327.516 4.482 20 30 EIEDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000449327411 1031623916 /nfs/dbraw/zinc/62/39/16/1031623916.db2.gz BFPAYNQFKKIVCF-GOSISDBHSA-N 2 0 327.516 4.002 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000614406083 1034554165 /nfs/dbraw/zinc/55/41/65/1034554165.db2.gz RIAHVLCEIMWHPS-UHFFFAOYSA-N 2 0 327.516 4.201 20 30 EIEDRP C[C@@H]1C[C@H](CC[NH2+]CC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000513507767 1034991636 /nfs/dbraw/zinc/99/16/36/1034991636.db2.gz VSYGEFXIXNZHKE-QUCCMNQESA-N 2 0 327.516 4.207 20 30 EIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336705 1036739564 /nfs/dbraw/zinc/73/95/64/1036739564.db2.gz FKVNNNXAWZCWQG-JOCHJYFZSA-N 2 0 333.479 4.176 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1)CC1CC1 ZINC000540047065 1041051306 /nfs/dbraw/zinc/05/13/06/1041051306.db2.gz NBJVUOUUOPFEEH-UHFFFAOYSA-N 2 0 343.490 4.031 20 30 EIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000463299412 1041483464 /nfs/dbraw/zinc/48/34/64/1041483464.db2.gz FGHDTQJMLKEXBI-OSZJIOELSA-N 2 0 339.527 4.336 20 30 EIEDRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593919 1041550278 /nfs/dbraw/zinc/55/02/78/1041550278.db2.gz WJYSGCPGBHGBNL-FHWLQOOXSA-N 2 0 347.506 4.365 20 30 EIEDRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491809 1044649044 /nfs/dbraw/zinc/64/90/44/1044649044.db2.gz GGJKIGHCFKLYLT-SPEDKVCISA-N 2 0 333.479 4.119 20 30 EIEDRP CCC[N@H+](CCC[NH+](C)C)C1CCC(C#N)(c2ccccc2)CC1 ZINC001170397889 1046031810 /nfs/dbraw/zinc/03/18/10/1046031810.db2.gz HXBLPKZXBXBLLS-UHFFFAOYSA-N 2 0 327.516 4.054 20 30 EIEDRP Cc1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)ccc1C#N ZINC000488133850 1046103524 /nfs/dbraw/zinc/10/35/24/1046103524.db2.gz MELLPFJRESYGCH-UHFFFAOYSA-N 2 0 348.494 4.000 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000809606335 1048413827 /nfs/dbraw/zinc/41/38/27/1048413827.db2.gz ZEMGRYHDWWYLRH-IBGZPJMESA-N 2 0 332.491 4.332 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000809606338 1048414049 /nfs/dbraw/zinc/41/40/49/1048414049.db2.gz ZEMGRYHDWWYLRH-LJQANCHMSA-N 2 0 332.491 4.332 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000809605772 1048414125 /nfs/dbraw/zinc/41/41/25/1048414125.db2.gz IIMGKHYHOMQSEH-IBGZPJMESA-N 2 0 332.491 4.332 20 30 EIEDRP CC[N@H+](CCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000846182649 1048835611 /nfs/dbraw/zinc/83/56/11/1048835611.db2.gz NWSCJJOITGCDOS-SFHVURJKSA-N 2 0 343.515 4.284 20 30 EIEDRP C[C@@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccc(C(F)(F)F)cc2)CC1 ZINC001172488042 1049920289 /nfs/dbraw/zinc/92/02/89/1049920289.db2.gz PTZLINOIWFPCIX-AWEZNQCLSA-N 2 0 339.405 4.038 20 30 EIEDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(CC#N)CC1 ZINC001173332427 1050422860 /nfs/dbraw/zinc/42/28/60/1050422860.db2.gz NEYPSCLBHOLFTF-KCUKBOBISA-N 2 0 339.527 4.207 20 30 EIEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001173591239 1050495613 /nfs/dbraw/zinc/49/56/13/1050495613.db2.gz NHFNSPXQYHJHKV-UHFFFAOYSA-N 2 0 331.891 4.062 20 30 EIEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807478 1050537150 /nfs/dbraw/zinc/53/71/50/1050537150.db2.gz ZWZBAFFLQLBFPE-URZJWIJPSA-N 2 0 337.511 4.178 20 30 EIEDRP C=C(C)C[NH+]1CCC(N[C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000153041777 1050942399 /nfs/dbraw/zinc/94/23/99/1050942399.db2.gz WNJUADQNGMZQMH-ZDUSSCGKSA-N 2 0 342.405 4.118 20 30 EIEDRP C=CC(C)(C)CCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001203571446 1051861976 /nfs/dbraw/zinc/86/19/76/1051861976.db2.gz HVIHTVROQSHTAA-UHFFFAOYSA-N 2 0 349.950 4.174 20 30 EIEDRP C#CC[C@H]1CC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068930 1051904039 /nfs/dbraw/zinc/90/40/39/1051904039.db2.gz FLBQJGQXMCMCPF-URXFXBBRSA-N 2 0 346.518 4.247 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC)CC2)cc1 ZINC000764639774 1053246037 /nfs/dbraw/zinc/24/60/37/1053246037.db2.gz SKFVDUXAHBMFMG-MRXNPFEDSA-N 2 0 336.907 4.343 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921528701 1053699675 /nfs/dbraw/zinc/69/96/75/1053699675.db2.gz HQBJFPHBIATCOC-MRXNPFEDSA-N 2 0 339.508 4.284 20 30 EIEDRP CC1CC[NH+](CC[C@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)CC1 ZINC001196942982 1053810748 /nfs/dbraw/zinc/81/07/48/1053810748.db2.gz JGNYAPRRDCJHHY-HXUWFJFHSA-N 2 0 331.548 4.437 20 30 EIEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412098 1056106698 /nfs/dbraw/zinc/10/66/98/1056106698.db2.gz USAMYIRUSQPIEN-YVHKJVDXSA-N 2 0 333.479 4.044 20 30 EIEDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412334 1056107233 /nfs/dbraw/zinc/10/72/33/1056107233.db2.gz PJXBQWZJSGYKAT-VGSWGCGISA-N 2 0 333.479 4.045 20 30 EIEDRP C[NH+](C)CCC1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000532927225 1032394032 /nfs/dbraw/zinc/39/40/32/1032394032.db2.gz YZSBSAGGZQGJAM-UHFFFAOYSA-N 2 0 347.506 4.389 20 30 EIEDRP C=CCCCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001209442123 1020352618 /nfs/dbraw/zinc/35/26/18/1020352618.db2.gz UEBQXVHTRRHWJQ-YADHBBJMSA-N 2 0 348.575 4.193 20 30 EIEDRP CN1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC000417370802 1023292136 /nfs/dbraw/zinc/29/21/36/1023292136.db2.gz SURKASIDDKPWLV-ACIOBRDBSA-N 2 0 345.490 4.361 20 30 EIEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001167826052 1025613879 /nfs/dbraw/zinc/61/38/79/1025613879.db2.gz MDGNDZCEAFFIEK-GOSISDBHSA-N 2 0 327.516 4.248 20 30 EIEDRP CCCCCCCCN(CC[NH3+])C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167971582 1026089269 /nfs/dbraw/zinc/08/92/69/1026089269.db2.gz ZIYFGNFNFNIMLW-WCRBZPEASA-N 2 0 335.580 4.013 20 30 EIEDRP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220902 1026343461 /nfs/dbraw/zinc/34/34/61/1026343461.db2.gz LEEULMLEQGTQEH-GGAORHGYSA-N 2 0 347.506 4.164 20 30 EIEDRP COc1ccc([C@H](C)[NH2+]CC(C)(C)CC#N)cc1C[NH+]1CCCCC1 ZINC000840786680 1029289041 /nfs/dbraw/zinc/28/90/41/1029289041.db2.gz TXPVTRWTIZVVLK-KRWDZBQOSA-N 2 0 343.515 4.272 20 30 EIEDRP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165159 1030862727 /nfs/dbraw/zinc/86/27/27/1030862727.db2.gz PVRVPGYOCRXLFL-RTWAWAEBSA-N 2 0 327.516 4.018 20 30 EIEDRP C[C@@H]1C[C@H](CC[NH2+]C2CCC(C)(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000449212741 1031541579 /nfs/dbraw/zinc/54/15/79/1031541579.db2.gz IYXPQGWFUFNMLH-UREXAPBRSA-N 2 0 339.527 4.349 20 30 EIEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614176792 1033599216 /nfs/dbraw/zinc/59/92/16/1033599216.db2.gz IKTWJNZKHYOCRJ-UHFFFAOYSA-N 2 0 327.516 4.042 20 30 EIEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323083 1035822896 /nfs/dbraw/zinc/82/28/96/1035822896.db2.gz RPSOHXWHKCXCFN-GMAHTHKFSA-N 2 0 345.490 4.141 20 30 EIEDRP C[C@@H](CCC#N)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596592266 1035909437 /nfs/dbraw/zinc/90/94/37/1035909437.db2.gz LVELMNHANVKZRE-GHTZIAJQSA-N 2 0 339.527 4.301 20 30 EIEDRP C[C@@H](CCC#N)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000602537592 1036489178 /nfs/dbraw/zinc/48/91/78/1036489178.db2.gz GWPIHTDMIHTSLZ-INIZCTEOSA-N 2 0 333.907 4.081 20 30 EIEDRP N#CC1CCC([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000602535009 1036496573 /nfs/dbraw/zinc/49/65/73/1036496573.db2.gz WYQVYZBUAICMPO-UHFFFAOYSA-N 2 0 325.500 4.235 20 30 EIEDRP CC[N@@H+](Cc1ccc(C)c(C#N)c1)CC1CCN(c2ccccn2)CC1 ZINC000599303541 1036946709 /nfs/dbraw/zinc/94/67/09/1036946709.db2.gz RCRWSEYKKOMARD-UHFFFAOYSA-N 2 0 348.494 4.000 20 30 EIEDRP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000594495576 1038344866 /nfs/dbraw/zinc/34/48/66/1038344866.db2.gz CIMMBNAINOXWSD-UHFFFAOYSA-N 2 0 339.527 4.232 20 30 EIEDRP CC(C)(C#N)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000594522223 1038363410 /nfs/dbraw/zinc/36/34/10/1038363410.db2.gz KAXUWVWFRZCXCL-NRFANRHFSA-N 2 0 347.506 4.099 20 30 EIEDRP CC1(C)CC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC(C)(C)[NH2+]1 ZINC000481933595 1039904873 /nfs/dbraw/zinc/90/48/73/1039904873.db2.gz PDUZZYWEJULKKN-LJQANCHMSA-N 2 0 325.500 4.225 20 30 EIEDRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399548 1040197177 /nfs/dbraw/zinc/19/71/77/1040197177.db2.gz WIMNMJTWEILWNT-QPXQOZNCSA-N 2 0 347.506 4.365 20 30 EIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964533 1042590107 /nfs/dbraw/zinc/59/01/07/1042590107.db2.gz RZZPDWZHVUDLHS-MRXNPFEDSA-N 2 0 339.458 4.388 20 30 EIEDRP Cc1ccc([C@H](Cn2ccnc2)[NH2+]Cc2ccc(C#N)c(C)c2)c(C)c1 ZINC000443997640 1042739766 /nfs/dbraw/zinc/73/97/66/1042739766.db2.gz XVOBKSQIWCHFNE-QFIPXVFZSA-N 2 0 344.462 4.211 20 30 EIEDRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185768259 1043218142 /nfs/dbraw/zinc/21/81/42/1043218142.db2.gz JHSNOBKKEMETCM-NHCUHLMSSA-N 2 0 325.500 4.090 20 30 EIEDRP N#C[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000185817423 1043222109 /nfs/dbraw/zinc/22/21/09/1043222109.db2.gz JKBMJMSVMKLDFY-IEBWSBKVSA-N 2 0 345.918 4.224 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185881623 1043229665 /nfs/dbraw/zinc/22/96/65/1043229665.db2.gz HLSRLLUWISMZPT-GHTZIAJQSA-N 2 0 325.500 4.090 20 30 EIEDRP C[C@H]1CC([NH2+]CCc2ccc(C#N)cc2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168012996 1043470948 /nfs/dbraw/zinc/47/09/48/1043470948.db2.gz GRTHPYSPQZSCGR-OALUTQOASA-N 2 0 347.506 4.132 20 30 EIEDRP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000172574872 1043803721 /nfs/dbraw/zinc/80/37/21/1043803721.db2.gz TZJKVELZAJRUQT-XMSQKQJNSA-N 2 0 333.479 4.043 20 30 EIEDRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168014934 1043934909 /nfs/dbraw/zinc/93/49/09/1043934909.db2.gz NSWAWDDLTRDJCU-JNCXCOKGSA-N 2 0 325.500 4.100 20 30 EIEDRP C[C@@H]1CC([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014937 1043935924 /nfs/dbraw/zinc/93/59/24/1043935924.db2.gz NSWAWDDLTRDJCU-SOAMZJECSA-N 2 0 325.500 4.100 20 30 EIEDRP CCC[NH+]1CCC([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000766109853 1044200034 /nfs/dbraw/zinc/20/00/34/1044200034.db2.gz PWQBJXZLWKXXMI-UHFFFAOYSA-N 2 0 339.508 4.251 20 30 EIEDRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000543397589 1044512969 /nfs/dbraw/zinc/51/29/69/1044512969.db2.gz WBIBCKCJDCZYOU-KRWDZBQOSA-N 2 0 345.450 4.031 20 30 EIEDRP Cc1ccc(C(=[NH2+])NC2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC001168032900 1044858151 /nfs/dbraw/zinc/85/81/51/1044858151.db2.gz JAVICRLZIGPAMF-QIDMFYOTSA-N 2 0 349.522 4.450 20 30 EIEDRP N#CC1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000282438729 1045241796 /nfs/dbraw/zinc/24/17/96/1045241796.db2.gz UIGVJSXXDQESJD-DWIFJIFGSA-N 2 0 337.511 4.102 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000611390735 1045296428 /nfs/dbraw/zinc/29/64/28/1045296428.db2.gz RIJBWOKGLKKOLO-QHCPKHFHSA-N 2 0 345.490 4.321 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1)CC1CC1 ZINC000536736471 1046745560 /nfs/dbraw/zinc/74/55/60/1046745560.db2.gz NPUPCWCPSDHCTH-UHFFFAOYSA-N 2 0 343.490 4.031 20 30 EIEDRP COc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1C[NH+]1CCCCC1 ZINC000818356969 1049144607 /nfs/dbraw/zinc/14/46/07/1049144607.db2.gz TUQNLXUYKZHOPF-ABSDTBQOSA-N 2 0 341.499 4.024 20 30 EIEDRP CC1(C)C[C@H]([NH+]2CCC(C)(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171985974 1049840581 /nfs/dbraw/zinc/84/05/81/1049840581.db2.gz DUDFEKMNWMTQMO-LJQANCHMSA-N 2 0 325.500 4.055 20 30 EIEDRP C#CC1([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC001172068229 1049853498 /nfs/dbraw/zinc/85/34/98/1049853498.db2.gz JAWSSJTZQXILLN-KOUNCHBCSA-N 2 0 336.523 4.498 20 30 EIEDRP CCCCCCC[C@@H](CC)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172351844 1049892291 /nfs/dbraw/zinc/89/22/91/1049892291.db2.gz WRZXGHZUSZAOSA-IAGOWNOFSA-N 2 0 343.556 4.305 20 30 EIEDRP C[C@@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369375 1049897318 /nfs/dbraw/zinc/89/73/18/1049897318.db2.gz QNGNNMJUICONHF-QFOSDGOKSA-N 2 0 339.527 4.455 20 30 EIEDRP CC[C@@H](CC(C)C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172403010 1049898831 /nfs/dbraw/zinc/89/88/31/1049898831.db2.gz YEZWDQDDYROGMT-ACRUOGEOSA-N 2 0 327.516 4.455 20 30 EIEDRP C[C@H](CCCC#N)[NH+]1CCC([NH3+])(c2ccc(C(F)(F)F)cc2)CC1 ZINC001172488044 1049920793 /nfs/dbraw/zinc/92/07/93/1049920793.db2.gz PTZLINOIWFPCIX-CQSZACIVSA-N 2 0 339.405 4.038 20 30 EIEDRP CC[NH+](CC)C1CCC(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)CC1 ZINC001173102682 1050304888 /nfs/dbraw/zinc/30/48/88/1050304888.db2.gz BDUKWWDJRXAEPK-UHFFFAOYSA-N 2 0 341.421 4.064 20 30 EIEDRP N#CCC1CCC([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332109 1050423033 /nfs/dbraw/zinc/42/30/33/1050423033.db2.gz ILPXXBUJVMULEO-NYZKWMLCSA-N 2 0 325.500 4.231 20 30 EIEDRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCC(C)(C#N)CC1 ZINC001173598368 1050499456 /nfs/dbraw/zinc/49/94/56/1050499456.db2.gz PVRLGTRWADRIAU-UHFFFAOYSA-N 2 0 339.527 4.303 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001191549299 1051486700 /nfs/dbraw/zinc/48/67/00/1051486700.db2.gz ASHHRRDPJBMUES-IBGZPJMESA-N 2 0 339.527 4.077 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000774494032 1051617827 /nfs/dbraw/zinc/61/78/27/1051617827.db2.gz BZKCNFFMRHQIST-INIZCTEOSA-N 2 0 348.918 4.343 20 30 EIEDRP CC(C)(C#N)CCCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000386042718 1053572254 /nfs/dbraw/zinc/57/22/54/1053572254.db2.gz ZZDBJQRFTYVLPH-RTWAWAEBSA-N 2 0 339.527 4.160 20 30 EIEDRP C[C@]1(C#N)CC[NH+](CCCCCCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000852687132 1053602314 /nfs/dbraw/zinc/60/23/14/1053602314.db2.gz PWBBOMWIRBZYRQ-NHCUHLMSSA-N 2 0 344.547 4.188 20 30 EIEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143457 1054422376 /nfs/dbraw/zinc/42/23/76/1054422376.db2.gz KNZGRWFTSDDRMU-KRWDZBQOSA-N 2 0 339.508 4.249 20 30 EIEDRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000776162122 1054773225 /nfs/dbraw/zinc/77/32/25/1054773225.db2.gz BKKWPFLHJJIMQE-KKXNLOMOSA-N 2 0 341.499 4.037 20 30 EIEDRP CCCCCCC[NH+]1CCC2(C[C@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001201762727 1054899380 /nfs/dbraw/zinc/89/93/80/1054899380.db2.gz RZXJSJHVYILEEK-IBGZPJMESA-N 2 0 348.531 4.305 20 30 EIEDRP Cc1cc(C#N)ccc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000186316724 1055351838 /nfs/dbraw/zinc/35/18/38/1055351838.db2.gz OQYWAUMYRIKNPA-UHFFFAOYSA-N 2 0 348.494 4.000 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177685391 1021442747 /nfs/dbraw/zinc/44/27/47/1021442747.db2.gz IAYKDBICOQCFAU-INIZCTEOSA-N 2 0 339.508 4.284 20 30 EIEDRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181576867 1022517629 /nfs/dbraw/zinc/51/76/29/1022517629.db2.gz DWRSJTFIDFJLMZ-SFHVURJKSA-N 2 0 333.479 4.121 20 30 EIEDRP CN1CC[C@H]([NH2+][C@H]2CCCc3cc(C#N)ccc32)C[C@H]1c1ccccc1 ZINC000417370805 1023292279 /nfs/dbraw/zinc/29/22/79/1023292279.db2.gz SURKASIDDKPWLV-PMVMPFDFSA-N 2 0 345.490 4.361 20 30 EIEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281765 1023800325 /nfs/dbraw/zinc/80/03/25/1023800325.db2.gz FVGFICUZCWZRQR-BOSCWZPRSA-N 2 0 345.490 4.404 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289492029 1024335359 /nfs/dbraw/zinc/33/53/59/1024335359.db2.gz GIEMPYUFYFDREP-FQEVSTJZSA-N 2 0 327.516 4.208 20 30 EIEDRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810763 1024492749 /nfs/dbraw/zinc/49/27/49/1024492749.db2.gz KWAGRJQXPBTGID-CVAIRZPRSA-N 2 0 339.508 4.353 20 30 EIEDRP CCC[NH+]1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507634178 1026860286 /nfs/dbraw/zinc/86/02/86/1026860286.db2.gz FDXQZIPUXOHKTG-UHFFFAOYSA-N 2 0 339.527 4.102 20 30 EIEDRP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745623 1027222122 /nfs/dbraw/zinc/22/21/22/1027222122.db2.gz RRWSUBDIQYAGIS-VGOFRKELSA-N 2 0 333.479 4.360 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449219505 1031552183 /nfs/dbraw/zinc/55/21/83/1031552183.db2.gz NLVCETYFUWEBBP-UHFFFAOYSA-N 2 0 339.527 4.481 20 30 EIEDRP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)s2)C[N@@H+]1Cc1ccccc1 ZINC000513493850 1034986974 /nfs/dbraw/zinc/98/69/74/1034986974.db2.gz CTZFNFWVWBRLER-WMZOPIPTSA-N 2 0 339.508 4.010 20 30 EIEDRP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513511359 1034989835 /nfs/dbraw/zinc/98/98/35/1034989835.db2.gz IUDVKIAOEOCRGQ-AEFFLSMTSA-N 2 0 339.508 4.010 20 30 EIEDRP C[C@H]1C[C@@H](CC[NH2+]CC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000513507764 1034992095 /nfs/dbraw/zinc/99/20/95/1034992095.db2.gz VSYGEFXIXNZHKE-AZUAARDMSA-N 2 0 327.516 4.207 20 30 EIEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000614494672 1035239026 /nfs/dbraw/zinc/23/90/26/1035239026.db2.gz AQCDDHZTHNDIPA-SFHVURJKSA-N 2 0 325.500 4.207 20 30 EIEDRP C[C@@H](CCC#N)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602860261 1036646754 /nfs/dbraw/zinc/64/67/54/1036646754.db2.gz AQLVCJOJBZKEKL-IBGZPJMESA-N 2 0 325.500 4.057 20 30 EIEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000589336977 1036739297 /nfs/dbraw/zinc/73/92/97/1036739297.db2.gz PIBPUFATLGATBO-OFNKIYASSA-N 2 0 345.490 4.047 20 30 EIEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249390472 1037793429 /nfs/dbraw/zinc/79/34/29/1037793429.db2.gz RIXDLCPGFLEXPG-GHTZIAJQSA-N 2 0 333.479 4.073 20 30 EIEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423191069 1038047638 /nfs/dbraw/zinc/04/76/38/1038047638.db2.gz SKKSYVWTZYHDBC-UNWVZKJWSA-N 2 0 348.490 4.019 20 30 EIEDRP N#CC1(c2ccccc2)CCC([NH2+][C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423499252 1038254023 /nfs/dbraw/zinc/25/40/23/1038254023.db2.gz JETZPQNTTAXUEJ-KOENEWCDSA-N 2 0 347.506 4.460 20 30 EIEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000594493786 1038341964 /nfs/dbraw/zinc/34/19/64/1038341964.db2.gz RXXSEUJXZYAUNE-UHFFFAOYSA-N 2 0 347.506 4.373 20 30 EIEDRP CC(C)(C#N)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000594497590 1038346905 /nfs/dbraw/zinc/34/69/05/1038346905.db2.gz IDZSERQWLJHREQ-UHFFFAOYSA-N 2 0 339.527 4.374 20 30 EIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594917040 1038426903 /nfs/dbraw/zinc/42/69/03/1038426903.db2.gz FYOWOPZKJQVYQX-UHFFFAOYSA-N 2 0 347.506 4.372 20 30 EIEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000539610302 1040608306 /nfs/dbraw/zinc/60/83/06/1040608306.db2.gz UTVTYSNRMLQTSK-PBPGXSGUSA-N 2 0 343.490 4.391 20 30 EIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000463285024 1041475940 /nfs/dbraw/zinc/47/59/40/1041475940.db2.gz SKKVPNVUPRWQKG-MOXWOTFGSA-N 2 0 339.527 4.336 20 30 EIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000463299411 1041483188 /nfs/dbraw/zinc/48/31/88/1041483188.db2.gz FGHDTQJMLKEXBI-GMQQQROESA-N 2 0 339.527 4.336 20 30 EIEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000463288914 1041488758 /nfs/dbraw/zinc/48/87/58/1041488758.db2.gz RABIESTUOBOGFS-WIYYLYMNSA-N 2 0 325.500 4.235 20 30 EIEDRP C[C@H]([NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000540593927 1041550985 /nfs/dbraw/zinc/55/09/85/1041550985.db2.gz WJYSGCPGBHGBNL-QRVBRYPASA-N 2 0 347.506 4.365 20 30 EIEDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000541348044 1041898733 /nfs/dbraw/zinc/89/87/33/1041898733.db2.gz JFGLBHNQWKERJT-UHFFFAOYSA-N 2 0 347.506 4.097 20 30 EIEDRP Cc1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000444002742 1042744305 /nfs/dbraw/zinc/74/43/05/1042744305.db2.gz PZRKRFXCJMPHKQ-AVRDEDQJSA-N 2 0 333.479 4.009 20 30 EIEDRP C=CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000520949816 1043453892 /nfs/dbraw/zinc/45/38/92/1043453892.db2.gz RWJLASLXNAKIHE-OALUTQOASA-N 2 0 330.516 4.099 20 30 EIEDRP C=CCOc1ccccc1C[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521817159 1044004801 /nfs/dbraw/zinc/00/48/01/1044004801.db2.gz YUBCYLAWZNZIES-RTBURBONSA-N 2 0 330.516 4.099 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000543206499 1044131234 /nfs/dbraw/zinc/13/12/34/1044131234.db2.gz USXAISVYJRFTGP-IBGZPJMESA-N 2 0 339.527 4.229 20 30 EIEDRP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174001996 1044209474 /nfs/dbraw/zinc/20/94/74/1044209474.db2.gz PYSWVSLHJDWFGH-SFHVURJKSA-N 2 0 333.479 4.121 20 30 EIEDRP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000922503799 1044790441 /nfs/dbraw/zinc/79/04/41/1044790441.db2.gz KLVNFMGLPUOCJB-UHFFFAOYSA-N 2 0 337.511 4.128 20 30 EIEDRP CC1(C)[C@@H]2C[C@@H]([N@H+](Cc3cccc(C#N)c3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170736448 1047922088 /nfs/dbraw/zinc/92/20/88/1047922088.db2.gz MOHLPNRUTJQJTF-RSMWHSHJSA-N 2 0 337.511 4.065 20 30 EIEDRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141156 1048341875 /nfs/dbraw/zinc/34/18/75/1048341875.db2.gz ZHNGJIZRQIZRED-QMZRJTEUSA-N 2 0 345.490 4.404 20 30 EIEDRP C[C@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000810238663 1048722267 /nfs/dbraw/zinc/72/22/67/1048722267.db2.gz RYTLXPPTPRJXNB-DHIUTWEWSA-N 2 0 345.490 4.047 20 30 EIEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171197849 1048730919 /nfs/dbraw/zinc/73/09/19/1048730919.db2.gz DJHINIDQOVGVIO-NSISKUIASA-N 2 0 327.516 4.107 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000772949897 1048889357 /nfs/dbraw/zinc/88/93/57/1048889357.db2.gz ZDXXQQCLCRFVHC-INIZCTEOSA-N 2 0 336.907 4.341 20 30 EIEDRP C=CCN1CCC([NH2+][C@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820809692 1049554554 /nfs/dbraw/zinc/55/45/54/1049554554.db2.gz GQQNWGVHBOVKJU-HXUWFJFHSA-N 2 0 344.886 4.457 20 30 EIEDRP N#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172065769 1049850743 /nfs/dbraw/zinc/85/07/43/1049850743.db2.gz QMSNOHOZIBLCJL-PRMSZOBUSA-N 2 0 337.511 4.244 20 30 EIEDRP N#Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172064886 1049851307 /nfs/dbraw/zinc/85/13/07/1049851307.db2.gz IARXKJOPRGOCHP-NUNAXRQHSA-N 2 0 345.490 4.234 20 30 EIEDRP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001172494398 1049921515 /nfs/dbraw/zinc/92/15/15/1049921515.db2.gz GPDAYEZDDAKJIA-LCLWPZTBSA-N 2 0 345.556 4.363 20 30 EIEDRP CCCCCCCC[C@@H](CC)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172505257 1049924558 /nfs/dbraw/zinc/92/45/58/1049924558.db2.gz KYSAIYZRVDBKIY-HXUWFJFHSA-N 2 0 337.596 4.227 20 30 EIEDRP CCCCCCC[C@H](CCC)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172511690 1049926593 /nfs/dbraw/zinc/92/65/93/1049926593.db2.gz UQHOUWKKNXHIHO-FQEVSTJZSA-N 2 0 337.596 4.227 20 30 EIEDRP CC[NH+](CC)C1CCC([NH+]2CCC(C#Cc3ccccc3)CC2)CC1 ZINC001173114127 1050309234 /nfs/dbraw/zinc/30/92/34/1050309234.db2.gz XCXXTXUVKHFTKV-UHFFFAOYSA-N 2 0 338.539 4.403 20 30 EIEDRP C=CCOC1CCC([N@@H+](C2CCCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317137 1050439100 /nfs/dbraw/zinc/43/91/00/1050439100.db2.gz BNLAEBQDFNVDRU-SNXBXODESA-N 2 0 334.548 4.405 20 30 EIEDRP Cc1cc(N2CC[NH+](C3CCC(C)(C#N)CC3)CC2)c2ccccc2[nH+]1 ZINC001173594086 1050496287 /nfs/dbraw/zinc/49/62/87/1050496287.db2.gz QZDKKOHSAJGNFM-UHFFFAOYSA-N 2 0 348.494 4.138 20 30 EIEDRP C=CCCCCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC001178688877 1050532029 /nfs/dbraw/zinc/53/20/29/1050532029.db2.gz OESBPWSMRSVSFE-UHFFFAOYSA-N 2 0 349.950 4.318 20 30 EIEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807475 1050537099 /nfs/dbraw/zinc/53/70/99/1050537099.db2.gz ZWZBAFFLQLBFPE-HVETUWLQSA-N 2 0 337.511 4.178 20 30 EIEDRP C#CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523526 1051701215 /nfs/dbraw/zinc/70/12/15/1051701215.db2.gz JQOAHLDIQRPWRA-PTUXOGIPSA-N 2 0 332.491 4.251 20 30 EIEDRP C=CCOc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC001203269807 1051918618 /nfs/dbraw/zinc/91/86/18/1051918618.db2.gz DMGCYVQLJUNLTA-GOSISDBHSA-N 2 0 348.918 4.116 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000765424590 1053540131 /nfs/dbraw/zinc/54/01/31/1053540131.db2.gz ICOYVSCYKVXHHU-MRXNPFEDSA-N 2 0 348.918 4.485 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196936785 1053808437 /nfs/dbraw/zinc/80/84/37/1053808437.db2.gz URFIWZIAIZBTQV-NQIIRXRSSA-N 2 0 325.500 4.206 20 30 EIEDRP CCCCCCCCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001201631442 1054860496 /nfs/dbraw/zinc/86/04/96/1054860496.db2.gz SMWLLSYWPHFJPZ-UHFFFAOYSA-N 2 0 337.596 4.229 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000765777950 1055270235 /nfs/dbraw/zinc/27/02/35/1055270235.db2.gz BIYAFTYJVYUAHJ-INIZCTEOSA-N 2 0 336.907 4.200 20 30 EIEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475734545 1032543070 /nfs/dbraw/zinc/54/30/70/1032543070.db2.gz YBGRUGBEPIVIOU-QFIPXVFZSA-N 2 0 339.527 4.304 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000177685543 1021440057 /nfs/dbraw/zinc/44/00/57/1021440057.db2.gz SEUKKWVMNRWZCV-UHFFFAOYSA-N 2 0 339.508 4.141 20 30 EIEDRP C[C@H](NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444917 1022822937 /nfs/dbraw/zinc/82/29/37/1022822937.db2.gz YVRNDROJHKWWTN-XYJFISCASA-N 2 0 339.508 4.181 20 30 EIEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162912274 1025186700 /nfs/dbraw/zinc/18/67/00/1025186700.db2.gz IWPCOVNURGFSCO-LJQANCHMSA-N 2 0 348.490 4.145 20 30 EIEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167627024 1027499276 /nfs/dbraw/zinc/49/92/76/1027499276.db2.gz ZGNUCLGSCASCAI-HXUWFJFHSA-N 2 0 341.543 4.494 20 30 EIEDRP CC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000278202319 1028501430 /nfs/dbraw/zinc/50/14/30/1028501430.db2.gz GSSRBEJNEDNXJX-QFIPXVFZSA-N 2 0 333.479 4.395 20 30 EIEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584439179 1029871328 /nfs/dbraw/zinc/87/13/28/1029871328.db2.gz JBGAUNLFMYEDGS-YSZBQJHXSA-N 2 0 345.490 4.073 20 30 EIEDRP C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584439177 1029871444 /nfs/dbraw/zinc/87/14/44/1029871444.db2.gz JBGAUNLFMYEDGS-SXSPYAJSSA-N 2 0 345.490 4.073 20 30 EIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512647855 1033605087 /nfs/dbraw/zinc/60/50/87/1033605087.db2.gz KAPAIKHSPQRVBW-INIZCTEOSA-N 2 0 339.458 4.390 20 30 EIEDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654745 1033629057 /nfs/dbraw/zinc/62/90/57/1033629057.db2.gz OJGVVDQZNJLLNR-IXDOHACOSA-N 2 0 331.479 4.106 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000539099050 1038836787 /nfs/dbraw/zinc/83/67/87/1038836787.db2.gz ORBKMZFEEQILOQ-UHFFFAOYSA-N 2 0 327.516 4.138 20 30 EIEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000442688645 1039884509 /nfs/dbraw/zinc/88/45/09/1039884509.db2.gz DMKYNBBBKBPCES-SFHVURJKSA-N 2 0 325.500 4.207 20 30 EIEDRP CC(C)(C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CCCC1 ZINC000539509979 1040502703 /nfs/dbraw/zinc/50/27/03/1040502703.db2.gz LWXOTBLDYQYDHZ-UHFFFAOYSA-N 2 0 339.527 4.329 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595104720 1040896296 /nfs/dbraw/zinc/89/62/96/1040896296.db2.gz SJZAVTUJCSMIBA-JOCHJYFZSA-N 2 0 337.511 4.037 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000541086423 1041805502 /nfs/dbraw/zinc/80/55/02/1041805502.db2.gz LYIPIPXPXIHXRY-UHFFFAOYSA-N 2 0 331.479 4.031 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185779738 1043220782 /nfs/dbraw/zinc/22/07/82/1043220782.db2.gz PPRCWTFKJJPZNS-LVCYWYKZSA-N 2 0 325.500 4.233 20 30 EIEDRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526251 1045321512 /nfs/dbraw/zinc/32/15/12/1045321512.db2.gz FVGFICUZCWZRQR-KEIZBESESA-N 2 0 345.490 4.404 20 30 EIEDRP C=C(C)COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC ZINC000237318885 1045381786 /nfs/dbraw/zinc/38/17/86/1045381786.db2.gz IOVJECAVZGBMNV-UHFFFAOYSA-N 2 0 346.515 4.049 20 30 EIEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@@H](CCC[NH3+])C2)CC1 ZINC001170376554 1046033025 /nfs/dbraw/zinc/03/30/25/1046033025.db2.gz OXALOAAZQVKVKL-KPQWGBOZSA-N 2 0 339.527 4.232 20 30 EIEDRP N#CC1(c2ccccc2)CCC([N@@H+]2CCCC[C@H](CCC[NH3+])C2)CC1 ZINC001170376553 1046033673 /nfs/dbraw/zinc/03/36/73/1046033673.db2.gz OXALOAAZQVKVKL-JSRJAPPDSA-N 2 0 339.527 4.232 20 30 EIEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000536738194 1046748438 /nfs/dbraw/zinc/74/84/38/1046748438.db2.gz KYBHRHOOERDELC-GOSISDBHSA-N 2 0 339.527 4.453 20 30 EIEDRP CC[N@H+](CCC[NH2+][C@H](C)c1ccc(OCC#N)cc1)C1CCCCC1 ZINC000846182647 1048835150 /nfs/dbraw/zinc/83/51/50/1048835150.db2.gz NWSCJJOITGCDOS-GOSISDBHSA-N 2 0 343.515 4.284 20 30 EIEDRP CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171961849 1049825445 /nfs/dbraw/zinc/82/54/45/1049825445.db2.gz BGERVDYTDHHJLG-NRFANRHFSA-N 2 0 333.479 4.091 20 30 EIEDRP CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171972319 1049835077 /nfs/dbraw/zinc/83/50/77/1049835077.db2.gz PZBRXSCGTBUYJT-YZGWKJHDSA-N 2 0 325.500 4.102 20 30 EIEDRP N#CC[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075024 1049843920 /nfs/dbraw/zinc/84/39/20/1049843920.db2.gz NLPUCYDBKZPCRR-CZYKHXBRSA-N 2 0 337.511 4.198 20 30 EIEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300124 1049882666 /nfs/dbraw/zinc/88/26/66/1049882666.db2.gz RDBSMIXBBIWCAE-NSISKUIASA-N 2 0 327.516 4.107 20 30 EIEDRP C=CCN1CCC([NH2+][C@@H](c2ccccc2OC)C2CCCC2)CC1 ZINC000091334228 1050253532 /nfs/dbraw/zinc/25/35/32/1050253532.db2.gz NHGCXFODYSHVHP-OAQYLSRUSA-N 2 0 328.500 4.167 20 30 EIEDRP CCCCCCCC[C@@H](CCC)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001173309701 1050403519 /nfs/dbraw/zinc/40/35/19/1050403519.db2.gz JSHWCFCDASAWSD-HXUWFJFHSA-N 2 0 325.585 4.262 20 30 EIEDRP N#CCC1CCC([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001173333807 1050422520 /nfs/dbraw/zinc/42/25/20/1050422520.db2.gz QEGKBFUFVKUDBK-UHFFFAOYSA-N 2 0 345.918 4.148 20 30 EIEDRP CC1(C#N)CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001173586826 1050492896 /nfs/dbraw/zinc/49/28/96/1050492896.db2.gz IJNJXDJOLYSFDF-PLZZICSBSA-N 2 0 337.511 4.244 20 30 EIEDRP C=C(C)C[NH+]1CCC(N[C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000153041893 1050944103 /nfs/dbraw/zinc/94/41/03/1050944103.db2.gz WNJUADQNGMZQMH-CYBMUJFWSA-N 2 0 342.405 4.118 20 30 EIEDRP C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183187820 1051014764 /nfs/dbraw/zinc/01/47/64/1051014764.db2.gz RMTCEUJVTYWXGE-CMKODMSKSA-N 2 0 340.511 4.002 20 30 EIEDRP N#CC1(CCCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC001190825767 1051285458 /nfs/dbraw/zinc/28/54/58/1051285458.db2.gz BEWOCXFUTFNRSY-HXUWFJFHSA-N 2 0 331.548 4.439 20 30 EIEDRP C#CCCCC[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775414222 1051290261 /nfs/dbraw/zinc/29/02/61/1051290261.db2.gz FQSFSUIIJJSUMX-SFHVURJKSA-N 2 0 328.500 4.135 20 30 EIEDRP C[N@H+](CCCCC(C)(C)C#N)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277603862 1051796807 /nfs/dbraw/zinc/79/68/07/1051796807.db2.gz FHYKJCJEMGAXAJ-HXUWFJFHSA-N 2 0 327.516 4.160 20 30 EIEDRP CCCCCCCC[N@H+]1CCc2ncc(C[NH+]3CCCCC3)n2CC1 ZINC001201814142 1054910652 /nfs/dbraw/zinc/91/06/52/1054910652.db2.gz MFQSQAODCYOMPN-UHFFFAOYSA-N 2 0 346.563 4.088 20 30 EIEDRP CCCCCCCC[NH+]1CCC2(CCC[N@@H+]2Cc2cnn(C)c2)CC1 ZINC001201813612 1054911749 /nfs/dbraw/zinc/91/17/49/1054911749.db2.gz HBYMAFCDZDORJX-UHFFFAOYSA-N 2 0 346.563 4.211 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)C1 ZINC000067668312 524233784 /nfs/dbraw/zinc/23/37/84/524233784.db2.gz NZJSPIPUYVLZHP-GOSISDBHSA-N 2 0 333.479 4.080 20 30 EIEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2c(C)cc(C#N)cc2C)CC1 ZINC001167077845 1019567679 /nfs/dbraw/zinc/56/76/79/1019567679.db2.gz OVNWNTAQFRLDSA-UHFFFAOYSA-N 2 0 327.516 4.119 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000561130753 1022072069 /nfs/dbraw/zinc/07/20/69/1022072069.db2.gz HLSVPFSXEBDUCR-QFIPXVFZSA-N 2 0 337.511 4.322 20 30 EIEDRP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065496 1022856368 /nfs/dbraw/zinc/85/63/68/1022856368.db2.gz XZENSHBJDREWAS-NQIIRXRSSA-N 2 0 333.479 4.121 20 30 EIEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001167826055 1025614262 /nfs/dbraw/zinc/61/42/62/1025614262.db2.gz MDGNDZCEAFFIEK-SFHVURJKSA-N 2 0 327.516 4.248 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611590725 1026507403 /nfs/dbraw/zinc/50/74/03/1026507403.db2.gz BTMOUPTVOSIOHV-DKZVUGQWSA-N 2 0 337.511 4.178 20 30 EIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512279570 1026645939 /nfs/dbraw/zinc/64/59/39/1026645939.db2.gz FXRVEYYQYTURET-INIZCTEOSA-N 2 0 339.458 4.388 20 30 EIEDRP C=C(C)C[NH+]1CCC(Nc2c(C)cnc3c(OC)cccc32)CC1 ZINC000302687543 1027360412 /nfs/dbraw/zinc/36/04/12/1027360412.db2.gz YPYQRNVFBRCHKI-UHFFFAOYSA-N 2 0 325.456 4.004 20 30 EIEDRP COc1ccc([C@@H](C)[NH2+]CC(C)(C)CC#N)cc1C[NH+]1CCCCC1 ZINC000840786685 1029290670 /nfs/dbraw/zinc/29/06/70/1029290670.db2.gz TXPVTRWTIZVVLK-QGZVFWFLSA-N 2 0 343.515 4.272 20 30 EIEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000453287499 1031807260 /nfs/dbraw/zinc/80/72/60/1031807260.db2.gz GEDUYYGHCNCUNL-AFVILVPDSA-N 2 0 325.500 4.102 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2cc(C#N)cs2)CC1)CC(C)C ZINC000573527044 1033388325 /nfs/dbraw/zinc/38/83/25/1033388325.db2.gz VGEDEXIMRFCTNF-UHFFFAOYSA-N 2 0 333.545 4.200 20 30 EIEDRP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000614184869 1033636943 /nfs/dbraw/zinc/63/69/43/1033636943.db2.gz BHMSIJBRFUYQBF-MJGOQNOKSA-N 2 0 339.527 4.230 20 30 EIEDRP C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000614184858 1033637549 /nfs/dbraw/zinc/63/75/49/1033637549.db2.gz BHMSIJBRFUYQBF-HKUYNNGSSA-N 2 0 339.527 4.230 20 30 EIEDRP C[C@H]1C[C@H](CC[NH2+]CC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000513507766 1034992975 /nfs/dbraw/zinc/99/29/75/1034992975.db2.gz VSYGEFXIXNZHKE-ICSRJNTNSA-N 2 0 327.516 4.207 20 30 EIEDRP N#CC1CCC(C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602654394 1036551412 /nfs/dbraw/zinc/55/14/12/1036551412.db2.gz GVAFQHAHMVAFRZ-IQDQWBFVSA-N 2 0 337.511 4.274 20 30 EIEDRP C[C@H](CCC#N)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000602860266 1036647126 /nfs/dbraw/zinc/64/71/26/1036647126.db2.gz AQLVCJOJBZKEKL-LJQANCHMSA-N 2 0 325.500 4.057 20 30 EIEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000589337903 1036740177 /nfs/dbraw/zinc/74/01/77/1036740177.db2.gz DHWSYRVOKWTAOG-HSZRJFAPSA-N 2 0 345.490 4.047 20 30 EIEDRP Cc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191493 1037394359 /nfs/dbraw/zinc/39/43/59/1037394359.db2.gz AILLCUVFVKNKBD-CVDCTZTESA-N 2 0 347.506 4.352 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423508574 1038257855 /nfs/dbraw/zinc/25/78/55/1038257855.db2.gz KVSVEHUEZXNFKW-FCHUYYIVSA-N 2 0 333.479 4.396 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494541 1038346769 /nfs/dbraw/zinc/34/67/69/1038346769.db2.gz HWAVKSGASIXDHQ-GOSISDBHSA-N 2 0 327.516 4.232 20 30 EIEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000463295325 1041480311 /nfs/dbraw/zinc/48/03/11/1041480311.db2.gz ZSGVVFFRMUGXPQ-NHCUHLMSSA-N 2 0 325.500 4.235 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000542020074 1042237258 /nfs/dbraw/zinc/23/72/58/1042237258.db2.gz WWENMXZXOBGJSC-UHFFFAOYSA-N 2 0 331.479 4.031 20 30 EIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271916385 1042519969 /nfs/dbraw/zinc/51/99/69/1042519969.db2.gz GNJRZBJSXROUIG-INIZCTEOSA-N 2 0 339.458 4.390 20 30 EIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271957255 1042562082 /nfs/dbraw/zinc/56/20/82/1042562082.db2.gz SKGNGCFFSOKIIU-INIZCTEOSA-N 2 0 339.458 4.388 20 30 EIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271964531 1042592857 /nfs/dbraw/zinc/59/28/57/1042592857.db2.gz RZZPDWZHVUDLHS-INIZCTEOSA-N 2 0 339.458 4.388 20 30 EIEDRP C=C(C)CN1CCC([NH2+][C@@H](C)CCc2ccc(Cl)s2)CC1 ZINC000152944952 1043028402 /nfs/dbraw/zinc/02/84/02/1043028402.db2.gz QHYYLUWHLMQQOD-AWEZNQCLSA-N 2 0 326.937 4.353 20 30 EIEDRP C[N@H+](Cc1ccccc1C[NH2+][C@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442706204 1043813121 /nfs/dbraw/zinc/81/31/21/1043813121.db2.gz CQVLWYHNJYUMHH-PXNSSMCTSA-N 2 0 325.500 4.233 20 30 EIEDRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108167 1044237306 /nfs/dbraw/zinc/23/73/06/1044237306.db2.gz PJXBQWZJSGYKAT-JTSKRJEESA-N 2 0 333.479 4.045 20 30 EIEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000378491807 1044649712 /nfs/dbraw/zinc/64/97/12/1044649712.db2.gz GGJKIGHCFKLYLT-NPPFBWRTSA-N 2 0 333.479 4.119 20 30 EIEDRP CC1CC[NH+](CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390451 1045293054 /nfs/dbraw/zinc/29/30/54/1045293054.db2.gz BCFQXLRVGKABEZ-OAQYLSRUSA-N 2 0 325.500 4.037 20 30 EIEDRP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526256 1045321338 /nfs/dbraw/zinc/32/13/38/1045321338.db2.gz FVGFICUZCWZRQR-QMZRJTEUSA-N 2 0 345.490 4.404 20 30 EIEDRP C#CCN(C)CCC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000815652609 1048575754 /nfs/dbraw/zinc/57/57/54/1048575754.db2.gz JOSRHZCIMQVDSW-INIZCTEOSA-N 2 0 341.524 4.033 20 30 EIEDRP C#Cc1ccc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cc1 ZINC001144569515 1048733001 /nfs/dbraw/zinc/73/30/01/1048733001.db2.gz SPNBTFOZXDGAPH-QFIPXVFZSA-N 2 0 348.490 4.138 20 30 EIEDRP C#Cc1ccc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cc1 ZINC001144569513 1048734139 /nfs/dbraw/zinc/73/41/39/1048734139.db2.gz SPNBTFOZXDGAPH-JOCHJYFZSA-N 2 0 348.490 4.138 20 30 EIEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201238 1048759583 /nfs/dbraw/zinc/75/95/83/1048759583.db2.gz IUXXYXZRTMVEIL-OZOXKJRCSA-N 2 0 325.500 4.004 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986662 1049080513 /nfs/dbraw/zinc/08/05/13/1049080513.db2.gz STCUQCIUYVGIKB-DOTOQJQBSA-N 2 0 334.891 4.143 20 30 EIEDRP C[C@H](CCCC#N)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001172507058 1049925859 /nfs/dbraw/zinc/92/58/59/1049925859.db2.gz OHKLCGRRCTXZMM-LJQANCHMSA-N 2 0 325.500 4.057 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000248789110 1050077854 /nfs/dbraw/zinc/07/78/54/1050077854.db2.gz IOTXUULZYLNZMI-QMMLZNLJSA-N 2 0 325.500 4.090 20 30 EIEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H](C)Cc1ccc(F)cc1Cl ZINC001172865474 1050175763 /nfs/dbraw/zinc/17/57/63/1050175763.db2.gz MXTFUSNIRZAGLV-CYBMUJFWSA-N 2 0 347.865 4.077 20 30 EIEDRP C=CCOC1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001173312924 1050406592 /nfs/dbraw/zinc/40/65/92/1050406592.db2.gz NIDRMLFTTIWVGD-DWOCFRCJSA-N 2 0 342.527 4.143 20 30 EIEDRP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1CCC(CC#N)CC1 ZINC001173337541 1050427669 /nfs/dbraw/zinc/42/76/69/1050427669.db2.gz NXTFPGUPEQDNIF-UHFFFAOYSA-N 2 0 339.527 4.303 20 30 EIEDRP C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173593100 1050497862 /nfs/dbraw/zinc/49/78/62/1050497862.db2.gz HZBAHEILRZQGMH-UREXAPBRSA-N 2 0 339.527 4.207 20 30 EIEDRP CC1(C#N)CCC([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173600020 1050502239 /nfs/dbraw/zinc/50/22/39/1050502239.db2.gz UZFFIFXOMKQRLY-HRTMPFAESA-N 2 0 337.511 4.057 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC001191549306 1051486031 /nfs/dbraw/zinc/48/60/31/1051486031.db2.gz ASHHRRDPJBMUES-LJQANCHMSA-N 2 0 339.527 4.077 20 30 EIEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159114523 1051814340 /nfs/dbraw/zinc/81/43/40/1051814340.db2.gz NESRLWZXTQCZKB-RTWAWAEBSA-N 2 0 339.527 4.303 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000174272212 1052564010 /nfs/dbraw/zinc/56/40/10/1052564010.db2.gz DDPBMXHZHKCKLA-SFHVURJKSA-N 2 0 327.516 4.481 20 30 EIEDRP Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000921508229 1052791227 /nfs/dbraw/zinc/79/12/27/1052791227.db2.gz BFZKYAWBSYECIT-UHFFFAOYSA-N 2 0 333.479 4.061 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3csc(C#N)c3)c2)CC1 ZINC000921689049 1055807708 /nfs/dbraw/zinc/80/77/08/1055807708.db2.gz PDMHHCRHAATHIB-UHFFFAOYSA-N 2 0 339.508 4.141 20 30 EIEDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412103 1056105420 /nfs/dbraw/zinc/10/54/20/1056105420.db2.gz USAMYIRUSQPIEN-DRSNIGMVSA-N 2 0 333.479 4.044 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC001167425454 1022322023 /nfs/dbraw/zinc/32/20/23/1022322023.db2.gz RCMAXJQREMJCGX-UXHICEINSA-N 2 0 331.548 4.437 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC001167425456 1022323569 /nfs/dbraw/zinc/32/35/69/1022323569.db2.gz RCMAXJQREMJCGX-VQTJNVASSA-N 2 0 331.548 4.437 20 30 EIEDRP CN1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@H]1c1ccccc1 ZINC000417370806 1023292513 /nfs/dbraw/zinc/29/25/13/1023292513.db2.gz SURKASIDDKPWLV-WWNPGLIZSA-N 2 0 345.490 4.361 20 30 EIEDRP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000507622145 1026850806 /nfs/dbraw/zinc/85/08/06/1026850806.db2.gz QYBJZXQMRHYCND-JSRJAPPDSA-N 2 0 339.527 4.102 20 30 EIEDRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)ccc1C#N ZINC000443962785 1028125823 /nfs/dbraw/zinc/12/58/23/1028125823.db2.gz JVHAOLLGXXUQJT-UHFFFAOYSA-N 2 0 333.479 4.142 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000343445838 1029264080 /nfs/dbraw/zinc/26/40/80/1029264080.db2.gz NSAIMOPCCFDGRU-INIZCTEOSA-N 2 0 339.508 4.284 20 30 EIEDRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000411551277 1033986306 /nfs/dbraw/zinc/98/63/06/1033986306.db2.gz MGYBGVRRIAPOOW-TZIWHRDSSA-N 2 0 339.527 4.351 20 30 EIEDRP C[C@@H]1C[C@@H](CC[NH2+]CC(C)(C)CCC#N)C[N@@H+]1Cc1ccccc1 ZINC000513507769 1034992218 /nfs/dbraw/zinc/99/22/18/1034992218.db2.gz VSYGEFXIXNZHKE-UYAOXDASSA-N 2 0 327.516 4.207 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094384 1035821891 /nfs/dbraw/zinc/82/18/91/1035821891.db2.gz LVBOIWBBOGGPHD-DENIHFKCSA-N 2 0 337.511 4.037 20 30 EIEDRP C(#Cc1ccccc1)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472432 1035927864 /nfs/dbraw/zinc/92/78/64/1035927864.db2.gz CFMLXBYTMOWPKA-UHFFFAOYSA-N 2 0 344.502 4.026 20 30 EIEDRP N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000602860294 1036646521 /nfs/dbraw/zinc/64/65/21/1036646521.db2.gz ASNKMIBENDOMIV-NHCUHLMSSA-N 2 0 337.511 4.057 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249390474 1037795631 /nfs/dbraw/zinc/79/56/31/1037795631.db2.gz RIXDLCPGFLEXPG-WIYYLYMNSA-N 2 0 333.479 4.073 20 30 EIEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423020218 1037903885 /nfs/dbraw/zinc/90/38/85/1037903885.db2.gz ZHYYZTOJEKNCDV-XPWALMASSA-N 2 0 345.490 4.236 20 30 EIEDRP CC(C)(C#N)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000594494263 1038342281 /nfs/dbraw/zinc/34/22/81/1038342281.db2.gz DSLDSLSGHDZKSK-UHFFFAOYSA-N 2 0 347.506 4.373 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000476983661 1040098351 /nfs/dbraw/zinc/09/83/51/1040098351.db2.gz LXMYJMPWYCEYFR-QGZVFWFLSA-N 2 0 343.490 4.174 20 30 EIEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000463288910 1041488312 /nfs/dbraw/zinc/48/83/12/1041488312.db2.gz RABIESTUOBOGFS-NQIIRXRSSA-N 2 0 325.500 4.235 20 30 EIEDRP Cc1cc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)ccc1C#N ZINC000443992891 1042728565 /nfs/dbraw/zinc/72/85/65/1042728565.db2.gz HUGSPQDLUCFTTE-QUCCMNQESA-N 2 0 339.508 4.101 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185881660 1043228628 /nfs/dbraw/zinc/22/86/28/1043228628.db2.gz HLSRLLUWISMZPT-WIYYLYMNSA-N 2 0 325.500 4.090 20 30 EIEDRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000442713894 1043815580 /nfs/dbraw/zinc/81/55/80/1043815580.db2.gz JARWLONGWFWNMW-RXVVDRJESA-N 2 0 333.479 4.197 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000442899243 1043891332 /nfs/dbraw/zinc/89/13/32/1043891332.db2.gz PWLHUDVTUHJNSC-SFHVURJKSA-N 2 0 327.516 4.453 20 30 EIEDRP CC1CC[NH+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)CC1 ZINC000174254347 1044241819 /nfs/dbraw/zinc/24/18/19/1044241819.db2.gz MUVLZMKOVKYIEZ-UHFFFAOYSA-N 2 0 327.516 4.338 20 30 EIEDRP C[C@H](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543392944 1044496610 /nfs/dbraw/zinc/49/66/10/1044496610.db2.gz JZHHAEHAGCRMHA-JSRJAPPDSA-N 2 0 339.527 4.245 20 30 EIEDRP CC1(C)[C@@H]2C[C@H]([N@H+](Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170735946 1047913461 /nfs/dbraw/zinc/91/34/61/1047913461.db2.gz BJEXEARFSALKPV-YXOJAJARSA-N 2 0 337.511 4.065 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000809603615 1048439292 /nfs/dbraw/zinc/43/92/92/1048439292.db2.gz HURBIAQHIAOWDC-UHFFFAOYSA-N 2 0 332.491 4.190 20 30 EIEDRP [NH2+]=C(Nc1cccc(C2=[NH+]CCC2)c1)c1ccc2cc(O)ccc2c1 ZINC001171186540 1048678241 /nfs/dbraw/zinc/67/82/41/1048678241.db2.gz TXCJYJJAXUVNTI-UHFFFAOYSA-N 2 0 329.403 4.165 20 30 EIEDRP C#Cc1ccc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC001144576203 1048735111 /nfs/dbraw/zinc/73/51/11/1048735111.db2.gz GDXKPHYOAJQJSR-UHFFFAOYSA-N 2 0 332.491 4.012 20 30 EIEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001171231420 1048870671 /nfs/dbraw/zinc/87/06/71/1048870671.db2.gz JNURGGNTTGKDTO-GOSISDBHSA-N 2 0 339.527 4.218 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817947329 1049063485 /nfs/dbraw/zinc/06/34/85/1049063485.db2.gz CIFPZVIIIMVJQJ-MRXNPFEDSA-N 2 0 344.886 4.170 20 30 EIEDRP C[C@@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369371 1049897197 /nfs/dbraw/zinc/89/71/97/1049897197.db2.gz QNGNNMJUICONHF-IUGIXFBWSA-N 2 0 339.527 4.455 20 30 EIEDRP C[C@H](CCCC#N)N1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001172486753 1049911413 /nfs/dbraw/zinc/91/14/13/1049911413.db2.gz HAUCZGDUQGSSCK-CQSZACIVSA-N 2 0 339.405 4.038 20 30 EIEDRP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@H]2C1 ZINC001172494403 1049921886 /nfs/dbraw/zinc/92/18/86/1049921886.db2.gz GPDAYEZDDAKJIA-UMGGQSCQSA-N 2 0 345.556 4.363 20 30 EIEDRP C[C@@H](CCCC#N)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001172497618 1049922131 /nfs/dbraw/zinc/92/21/31/1049922131.db2.gz DMWHHZTVXJSQSR-FQEVSTJZSA-N 2 0 339.527 4.447 20 30 EIEDRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@@H](C)CCCC#N)C[C@@H]21 ZINC001172500231 1049923437 /nfs/dbraw/zinc/92/34/37/1049923437.db2.gz XVZOZRHHKFTYDG-FIRPJDEBSA-N 2 0 325.500 4.179 20 30 EIEDRP N#CCC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001173326061 1050418647 /nfs/dbraw/zinc/41/86/47/1050418647.db2.gz RRBPTYRSFFHQBU-BHCIHEEESA-N 2 0 337.511 4.244 20 30 EIEDRP N#CCC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001173330507 1050420435 /nfs/dbraw/zinc/42/04/35/1050420435.db2.gz RRBPTYRSFFHQBU-WFWPFLIISA-N 2 0 337.511 4.244 20 30 EIEDRP N#CCC1CCC([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001173331331 1050423476 /nfs/dbraw/zinc/42/34/76/1050423476.db2.gz BTAZMSFPLHDSKA-UHFFFAOYSA-N 2 0 331.548 4.341 20 30 EIEDRP N#CCC1CCC([N@@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173333459 1050423595 /nfs/dbraw/zinc/42/35/95/1050423595.db2.gz MEVCDXQRRGZDQL-BXQDZUEOSA-N 2 0 343.490 4.370 20 30 EIEDRP N#CCC1CCC([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001173334648 1050425836 /nfs/dbraw/zinc/42/58/36/1050425836.db2.gz VNEOELNEKQLJDP-UHFFFAOYSA-N 2 0 343.490 4.100 20 30 EIEDRP C[N@H+](Cc1ccccc1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173596316 1050496735 /nfs/dbraw/zinc/49/67/35/1050496735.db2.gz RRESXTGHZAWNGK-UHFFFAOYSA-N 2 0 325.500 4.055 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619465923 1050790049 /nfs/dbraw/zinc/79/00/49/1050790049.db2.gz HYVYPFDOSLLCMZ-REWPJTCUSA-N 2 0 345.490 4.047 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174270731 1052563860 /nfs/dbraw/zinc/56/38/60/1052563860.db2.gz DJXVNBVHXCFNIY-GOSISDBHSA-N 2 0 327.516 4.481 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000765289634 1053494495 /nfs/dbraw/zinc/49/44/95/1053494495.db2.gz CHWHZBRXXIXJIR-IAGOWNOFSA-N 2 0 336.907 4.200 20 30 EIEDRP CCCCCCC[NH+]1CCC2(C[C@@H]([N@H+](C)Cc3ccco3)CO2)CC1 ZINC001201762728 1054900513 /nfs/dbraw/zinc/90/05/13/1054900513.db2.gz RZXJSJHVYILEEK-LJQANCHMSA-N 2 0 348.531 4.305 20 30 EIEDRP CC(C)(C#N)CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291329607 1021654663 /nfs/dbraw/zinc/65/46/63/1021654663.db2.gz ABQCXQMYOPTYAB-UHFFFAOYSA-N 2 0 339.527 4.304 20 30 EIEDRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065497 1022857828 /nfs/dbraw/zinc/85/78/28/1022857828.db2.gz XZENSHBJDREWAS-RXVVDRJESA-N 2 0 333.479 4.121 20 30 EIEDRP CC(C)(C#N)CCCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291275 1026654257 /nfs/dbraw/zinc/65/42/57/1026654257.db2.gz GZYUEKCMGYPWJX-JOCHJYFZSA-N 2 0 339.527 4.304 20 30 EIEDRP C[NH+](C)CC[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC000507643984 1026863556 /nfs/dbraw/zinc/86/35/56/1026863556.db2.gz JTFQOOASCBOWGM-FUHYEJFZSA-N 2 0 341.543 4.347 20 30 EIEDRP C[C@@H]1CC([NH+]2CCC(C)(C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168064701 1029635056 /nfs/dbraw/zinc/63/50/56/1029635056.db2.gz RIZGQAGXZDUDCP-QZTJIDSGSA-N 2 0 325.500 4.054 20 30 EIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)c1 ZINC000512636179 1033575441 /nfs/dbraw/zinc/57/54/41/1033575441.db2.gz KECGDULGXUAWDL-INIZCTEOSA-N 2 0 339.458 4.390 20 30 EIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512655336 1033630822 /nfs/dbraw/zinc/63/08/22/1033630822.db2.gz TUPDJGPMPUUTMB-INIZCTEOSA-N 2 0 339.458 4.390 20 30 EIEDRP C[C@H]1C[C@H](CC[NH2+]Cc2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513511362 1034991890 /nfs/dbraw/zinc/99/18/90/1034991890.db2.gz IUDVKIAOEOCRGQ-WMZOPIPTSA-N 2 0 339.508 4.010 20 30 EIEDRP C[C@H](CCC#N)C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000602511827 1036487453 /nfs/dbraw/zinc/48/74/53/1036487453.db2.gz RRUQUKGJBLJAKS-GOSISDBHSA-N 2 0 335.495 4.445 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602513772 1036491139 /nfs/dbraw/zinc/49/11/39/1036491139.db2.gz CVEIHBSAIDABML-XPQZIERPSA-N 2 0 325.500 4.233 20 30 EIEDRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000591022972 1037274022 /nfs/dbraw/zinc/27/40/22/1037274022.db2.gz MHQRCPGQDJDENE-GOSISDBHSA-N 2 0 333.479 4.395 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000592470961 1038066319 /nfs/dbraw/zinc/06/63/19/1038066319.db2.gz PLDWBDSECIDOON-YMPRXVIZSA-N 2 0 345.490 4.264 20 30 EIEDRP N#CC1(c2ccc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000594921874 1038428454 /nfs/dbraw/zinc/42/84/54/1038428454.db2.gz UZFZKLNZRLWBFC-UHFFFAOYSA-N 2 0 345.490 4.127 20 30 EIEDRP N#CC1(c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC000594942173 1038507955 /nfs/dbraw/zinc/50/79/55/1038507955.db2.gz XLGSXZZWIHGTOV-UHFFFAOYSA-N 2 0 337.511 4.128 20 30 EIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000463285022 1041475493 /nfs/dbraw/zinc/47/54/93/1041475493.db2.gz SKKVPNVUPRWQKG-LMVRJCEZSA-N 2 0 339.527 4.336 20 30 EIEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000463288912 1041488259 /nfs/dbraw/zinc/48/82/59/1041488259.db2.gz RABIESTUOBOGFS-RXVVDRJESA-N 2 0 325.500 4.235 20 30 EIEDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271913116 1042518072 /nfs/dbraw/zinc/51/80/72/1042518072.db2.gz FMVSRZVHMAYDAE-INIZCTEOSA-N 2 0 337.442 4.144 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185881643 1043229052 /nfs/dbraw/zinc/22/90/52/1043229052.db2.gz HLSRLLUWISMZPT-RXVVDRJESA-N 2 0 325.500 4.090 20 30 EIEDRP C=CCOc1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000520949818 1043454257 /nfs/dbraw/zinc/45/42/57/1043454257.db2.gz RWJLASLXNAKIHE-RTBURBONSA-N 2 0 330.516 4.099 20 30 EIEDRP C[C@H](CCC#N)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000897568070 1047264079 /nfs/dbraw/zinc/26/40/79/1047264079.db2.gz GGRAJXZURSESDK-LJQANCHMSA-N 2 0 325.500 4.013 20 30 EIEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199370 1048730477 /nfs/dbraw/zinc/73/04/77/1048730477.db2.gz YWUHSZHIYXWUDJ-XJABCFGWSA-N 2 0 339.527 4.394 20 30 EIEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609822824 1049343815 /nfs/dbraw/zinc/34/38/15/1049343815.db2.gz GEVXADKDYQDBBI-GOSISDBHSA-N 2 0 325.500 4.207 20 30 EIEDRP CC1(C#N)CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076914 1049844918 /nfs/dbraw/zinc/84/49/18/1049844918.db2.gz BAGOYTPPDMFNDV-WKCHPHFGSA-N 2 0 337.511 4.198 20 30 EIEDRP CCC(CC)[N@H+]([C@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300684 1049873098 /nfs/dbraw/zinc/87/30/98/1049873098.db2.gz ZYONFGRRICJDMZ-OZOXKJRCSA-N 2 0 327.516 4.250 20 30 EIEDRP CC(C)(CCC#N)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246437892 1049973212 /nfs/dbraw/zinc/97/32/12/1049973212.db2.gz NFECZAHYKNSFAD-SFTDATJTSA-N 2 0 339.527 4.303 20 30 EIEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248119511 1050042838 /nfs/dbraw/zinc/04/28/38/1050042838.db2.gz NESRLWZXTQCZKB-LEWJYISDSA-N 2 0 339.527 4.303 20 30 EIEDRP C#CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523525 1051700786 /nfs/dbraw/zinc/70/07/86/1051700786.db2.gz JQOAHLDIQRPWRA-PMOQBDJRSA-N 2 0 332.491 4.251 20 30 EIEDRP C#CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523527 1051702050 /nfs/dbraw/zinc/70/20/50/1051702050.db2.gz JQOAHLDIQRPWRA-VJBMBRPKSA-N 2 0 332.491 4.251 20 30 EIEDRP CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2CCCCC2(C#N)CCC2)CC1 ZINC001196942974 1053809983 /nfs/dbraw/zinc/80/99/83/1053809983.db2.gz JGNYAPRRDCJHHY-FQEVSTJZSA-N 2 0 331.548 4.437 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000532165927 1032070873 /nfs/dbraw/zinc/07/08/73/1032070873.db2.gz OTEXVLWWJGKIHK-SFHVURJKSA-N 2 0 325.500 4.035 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)C1 ZINC000176947707 1020938875 /nfs/dbraw/zinc/93/88/75/1020938875.db2.gz HGJNZBXPGDLDMO-INIZCTEOSA-N 2 0 339.508 4.141 20 30 EIEDRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C#N)cc3)cc2)CC1 ZINC000048709500 1021240067 /nfs/dbraw/zinc/24/00/67/1021240067.db2.gz RQRAMMNNDKCUPP-UHFFFAOYSA-N 2 0 333.479 4.080 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000177685654 1021440346 /nfs/dbraw/zinc/44/03/46/1021440346.db2.gz NQPRWMMIBSUJFS-MRXNPFEDSA-N 2 0 339.508 4.141 20 30 EIEDRP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000540983098 1022721641 /nfs/dbraw/zinc/72/16/41/1022721641.db2.gz SYHFTYVLAQAXEI-RBBKRZOGSA-N 2 0 339.527 4.327 20 30 EIEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000538398025 1025392195 /nfs/dbraw/zinc/39/21/95/1025392195.db2.gz AWFFHNZYPKNABR-GOSISDBHSA-N 2 0 333.479 4.395 20 30 EIEDRP C=CCN1CCC([NH2+][C@H]2CCCOc3c(C(C)C)cccc32)CC1 ZINC000431339871 1026035649 /nfs/dbraw/zinc/03/56/49/1026035649.db2.gz ZKXKBOCTNWCUSG-FQEVSTJZSA-N 2 0 328.500 4.264 20 30 EIEDRP CC(C)c1cccc(NC(=[NH2+])NCCCC[NH+]2CCC(C)CC2)c1 ZINC000303892119 1027695292 /nfs/dbraw/zinc/69/52/92/1027695292.db2.gz NKTQOGSYRLGGMI-UHFFFAOYSA-N 2 0 330.520 4.049 20 30 EIEDRP CC[N@H+](CCC1CCN(Cc2cccc(F)c2C#N)CC1)CC1CC1 ZINC000428308569 1027963612 /nfs/dbraw/zinc/96/36/12/1027963612.db2.gz IGZOUBJJNZGXLX-UHFFFAOYSA-N 2 0 343.490 4.031 20 30 EIEDRP CC1CC[NH+](C2CCC([NH2+][C@H]3CCc4ccc(C#N)cc43)CC2)CC1 ZINC000583534902 1028855234 /nfs/dbraw/zinc/85/52/34/1028855234.db2.gz KKXDUNXLHDEEDY-AOMIVXANSA-N 2 0 337.511 4.178 20 30 EIEDRP CCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000447589207 1030193366 /nfs/dbraw/zinc/19/33/66/1030193366.db2.gz XAHJPGYGITUPQY-RTWAWAEBSA-N 2 0 339.527 4.351 20 30 EIEDRP C=C(C)C[NH+]1CCC(NC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449127096 1031464444 /nfs/dbraw/zinc/46/44/44/1031464444.db2.gz WDIRIUYGPHUFHM-UHFFFAOYSA-N 3 0 349.607 4.296 20 30 EIEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453236517 1031756194 /nfs/dbraw/zinc/75/61/94/1031756194.db2.gz UQOZUYLEHKEFID-NJYVYQBISA-N 2 0 339.527 4.349 20 30 EIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512636182 1033577938 /nfs/dbraw/zinc/57/79/38/1033577938.db2.gz KECGDULGXUAWDL-MRXNPFEDSA-N 2 0 339.458 4.390 20 30 EIEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C#N)CCCCC2)CC1 ZINC000595091241 1035597910 /nfs/dbraw/zinc/59/79/10/1035597910.db2.gz OMZPGGMSSAGYGP-UHFFFAOYSA-N 2 0 339.527 4.493 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094385 1035820939 /nfs/dbraw/zinc/82/09/39/1035820939.db2.gz LVBOIWBBOGGPHD-KNQAVFIVSA-N 2 0 337.511 4.037 20 30 EIEDRP N#C[C@H]1CC[C@@H]([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000602860292 1036647694 /nfs/dbraw/zinc/64/76/94/1036647694.db2.gz ASNKMIBENDOMIV-LEWJYISDSA-N 2 0 337.511 4.057 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000589300651 1036721462 /nfs/dbraw/zinc/72/14/62/1036721462.db2.gz WCSIRDVCNIAGQQ-YSZBQJHXSA-N 2 0 345.490 4.073 20 30 EIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336600 1036738540 /nfs/dbraw/zinc/73/85/40/1036738540.db2.gz XIKOMOJQLMFNFC-JOCHJYFZSA-N 2 0 333.479 4.177 20 30 EIEDRP CC[N@@H+](Cc1ccc(C#N)c(C)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488414702 1037583595 /nfs/dbraw/zinc/58/35/95/1037583595.db2.gz OEUXXYSYSBAWKA-QFIPXVFZSA-N 2 0 347.506 4.211 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000592470960 1038065305 /nfs/dbraw/zinc/06/53/05/1038065305.db2.gz PLDWBDSECIDOON-SVCSISOJSA-N 2 0 345.490 4.264 20 30 EIEDRP CC(C)(C#N)c1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000594522224 1038363668 /nfs/dbraw/zinc/36/36/68/1038363668.db2.gz KAXUWVWFRZCXCL-OAQYLSRUSA-N 2 0 347.506 4.099 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C#N)c2)CC1)CC(C)C ZINC000539098893 1038837220 /nfs/dbraw/zinc/83/72/20/1038837220.db2.gz NZAPGFWHPCYZJV-UHFFFAOYSA-N 2 0 327.516 4.138 20 30 EIEDRP N#Cc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000112710460 1043140408 /nfs/dbraw/zinc/14/04/08/1043140408.db2.gz JQPBQCSPQALYDY-UHFFFAOYSA-N 2 0 333.479 4.224 20 30 EIEDRP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168012995 1043470642 /nfs/dbraw/zinc/47/06/42/1043470642.db2.gz GRTHPYSPQZSCGR-BBIADKPPSA-N 2 0 347.506 4.132 20 30 EIEDRP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000172574904 1043803086 /nfs/dbraw/zinc/80/30/86/1043803086.db2.gz TZJKVELZAJRUQT-AVRDEDQJSA-N 2 0 333.479 4.043 20 30 EIEDRP N#C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000442775226 1043829994 /nfs/dbraw/zinc/82/99/94/1043829994.db2.gz FMAAYZFFZKLMDS-FCHUYYIVSA-N 2 0 339.527 4.003 20 30 EIEDRP C[C@@H]1CC([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168014936 1043937012 /nfs/dbraw/zinc/93/70/12/1043937012.db2.gz NSWAWDDLTRDJCU-MLYOOKFZSA-N 2 0 325.500 4.100 20 30 EIEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248836421 1045885928 /nfs/dbraw/zinc/88/59/28/1045885928.db2.gz NCPBBGGHVYUNMP-XLIONFOSSA-N 2 0 337.467 4.084 20 30 EIEDRP C[C@@H](CCC#N)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000897567969 1047262782 /nfs/dbraw/zinc/26/27/82/1047262782.db2.gz GGRAJXZURSESDK-IBGZPJMESA-N 2 0 325.500 4.013 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000817968755 1049072983 /nfs/dbraw/zinc/07/29/83/1049072983.db2.gz LUWBFKCCIOCAET-HNNXBMFYSA-N 2 0 342.870 4.272 20 30 EIEDRP CCC(CC)[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300683 1049873070 /nfs/dbraw/zinc/87/30/70/1049873070.db2.gz ZYONFGRRICJDMZ-LRQRDZAKSA-N 2 0 327.516 4.250 20 30 EIEDRP CCCCCCC[C@H](CC)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172351845 1049892113 /nfs/dbraw/zinc/89/21/13/1049892113.db2.gz WRZXGHZUSZAOSA-IRXDYDNUSA-N 2 0 343.556 4.305 20 30 EIEDRP C[C@@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369508 1049897098 /nfs/dbraw/zinc/89/70/98/1049897098.db2.gz RRLYXQMCIILEIK-QFOSDGOKSA-N 2 0 339.527 4.455 20 30 EIEDRP C[C@@H](CCCC#N)[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001172488451 1049921041 /nfs/dbraw/zinc/92/10/41/1049921041.db2.gz SYMZGSQTBFYPDS-INIZCTEOSA-N 2 0 333.907 4.224 20 30 EIEDRP CCCCCCC[C@@H](CCC)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172511547 1049927200 /nfs/dbraw/zinc/92/72/00/1049927200.db2.gz STDCDOKZWVTKGT-OAQYLSRUSA-N 2 0 337.596 4.229 20 30 EIEDRP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000181849868 1050356752 /nfs/dbraw/zinc/35/67/52/1050356752.db2.gz POGNUHSTPXXTKN-RTBURBONSA-N 2 0 347.506 4.304 20 30 EIEDRP C=CCOC1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001173312930 1050406287 /nfs/dbraw/zinc/40/62/87/1050406287.db2.gz NIDRMLFTTIWVGD-PMJAUZGISA-N 2 0 342.527 4.143 20 30 EIEDRP N#CCC1CCC([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001173337810 1050428515 /nfs/dbraw/zinc/42/85/15/1050428515.db2.gz SWZCJTTXGPYDLX-UHFFFAOYSA-N 2 0 337.511 4.057 20 30 EIEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001173318631 1050441511 /nfs/dbraw/zinc/44/15/11/1050441511.db2.gz GRRNCEJOBDWGSW-UHFFFAOYSA-N 2 0 348.918 4.104 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619465921 1050789728 /nfs/dbraw/zinc/78/97/28/1050789728.db2.gz HYVYPFDOSLLCMZ-NZQKXSOJSA-N 2 0 345.490 4.047 20 30 EIEDRP CCCCCCCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@@H]2COC)C1 ZINC001201815145 1054915004 /nfs/dbraw/zinc/91/50/04/1054915004.db2.gz XMFUWCUJVKOSHF-RTWAWAEBSA-N 2 0 336.564 4.027 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000180182690 1022141696 /nfs/dbraw/zinc/14/16/96/1022141696.db2.gz BHMAKDSCGXGKJY-MRXNPFEDSA-N 2 0 331.529 4.096 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178258100 1023876122 /nfs/dbraw/zinc/87/61/22/1023876122.db2.gz MKTCNNCTRUMBGX-INIZCTEOSA-N 2 0 348.918 4.343 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611590727 1026507103 /nfs/dbraw/zinc/50/71/03/1026507103.db2.gz BTMOUPTVOSIOHV-XWFZLUIHSA-N 2 0 337.511 4.178 20 30 EIEDRP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750082 1029806285 /nfs/dbraw/zinc/80/62/85/1029806285.db2.gz NTXDIIMMLJTUSV-PBEJRMEISA-N 2 0 325.500 4.252 20 30 EIEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584439176 1029871126 /nfs/dbraw/zinc/87/11/26/1029871126.db2.gz JBGAUNLFMYEDGS-LEOXJPRUSA-N 2 0 345.490 4.073 20 30 EIEDRP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513511361 1034989906 /nfs/dbraw/zinc/98/99/06/1034989906.db2.gz IUDVKIAOEOCRGQ-SJLPKXTDSA-N 2 0 339.508 4.010 20 30 EIEDRP C=CCCSCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000595060164 1035539532 /nfs/dbraw/zinc/53/95/32/1035539532.db2.gz SZDMKMRSWZEFPG-ACDBMABISA-N 2 0 330.541 4.081 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCC(C#N)CC3)cc2)C1 ZINC000602513904 1036490694 /nfs/dbraw/zinc/49/06/94/1036490694.db2.gz GKEOLYBNGNGZBF-XPQZIERPSA-N 2 0 325.500 4.090 20 30 EIEDRP CCCCN(C)C[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000554994421 1038817581 /nfs/dbraw/zinc/81/75/81/1038817581.db2.gz PDDXSHCCEPLPAG-KMFTYDHNSA-N 2 0 327.516 4.101 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1)CC1CC1 ZINC000537754891 1040808896 /nfs/dbraw/zinc/80/88/96/1040808896.db2.gz DADOTAHZPHBNLA-UHFFFAOYSA-N 2 0 343.490 4.031 20 30 EIEDRP C=CCOc1ccc(C[NH2+]CCC2CC[NH+](CC)CC2)cc1Cl ZINC000462765171 1040902746 /nfs/dbraw/zinc/90/27/46/1040902746.db2.gz OWGPZGROBZKBAU-UHFFFAOYSA-N 2 0 336.907 4.116 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000483706666 1040977552 /nfs/dbraw/zinc/97/75/52/1040977552.db2.gz FMYWKMHKFLYWNS-UHFFFAOYSA-N 2 0 331.479 4.031 20 30 EIEDRP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516690451 1041709871 /nfs/dbraw/zinc/70/98/71/1041709871.db2.gz PJPJWWRSQMRYHQ-HYVJGQCMSA-N 2 0 345.490 4.046 20 30 EIEDRP C[C@@H]1CC([NH2+]Cc2cccc(C#N)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168006955 1043010723 /nfs/dbraw/zinc/01/07/23/1043010723.db2.gz PSTVPPMDGOVSCM-QZTJIDSGSA-N 2 0 333.479 4.089 20 30 EIEDRP C[C@@H]1CC([NH2+]CCc2ccc(C#N)cc2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168012997 1043461719 /nfs/dbraw/zinc/46/17/19/1043461719.db2.gz GRTHPYSPQZSCGR-RTBURBONSA-N 2 0 347.506 4.132 20 30 EIEDRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442713892 1043816169 /nfs/dbraw/zinc/81/61/69/1043816169.db2.gz JARWLONGWFWNMW-GHTZIAJQSA-N 2 0 333.479 4.197 20 30 EIEDRP N#C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000442775242 1043829874 /nfs/dbraw/zinc/82/98/74/1043829874.db2.gz FMAAYZFFZKLMDS-VXKWHMMOSA-N 2 0 339.527 4.003 20 30 EIEDRP N#C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000442775247 1043830815 /nfs/dbraw/zinc/83/08/15/1043830815.db2.gz FMAAYZFFZKLMDS-YADHBBJMSA-N 2 0 339.527 4.003 20 30 EIEDRP CCCCCCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000766121763 1044259240 /nfs/dbraw/zinc/25/92/40/1044259240.db2.gz HMPCQOUUTLAFFO-HXUWFJFHSA-N 2 0 332.532 4.135 20 30 EIEDRP N#Cc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000388799906 1044750489 /nfs/dbraw/zinc/75/04/89/1044750489.db2.gz PCEIKFJMXVSUCK-UHFFFAOYSA-N 2 0 345.490 4.046 20 30 EIEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272268134 1045014890 /nfs/dbraw/zinc/01/48/90/1045014890.db2.gz XXGGIPPHBXCPSE-SVMVAKDDSA-N 2 0 333.479 4.119 20 30 EIEDRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526253 1045320231 /nfs/dbraw/zinc/32/02/31/1045320231.db2.gz FVGFICUZCWZRQR-LUGPXAIHSA-N 2 0 345.490 4.404 20 30 EIEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272704107 1045810940 /nfs/dbraw/zinc/81/09/40/1045810940.db2.gz TVEABYPYRCTFKZ-DAYGRLMNSA-N 2 0 329.463 4.001 20 30 EIEDRP CC[NH+](CC)CCCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359713 1046014461 /nfs/dbraw/zinc/01/44/61/1046014461.db2.gz DYJIJVJGEKGBQE-UHFFFAOYSA-N 2 0 327.516 4.102 20 30 EIEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@H]21 ZINC000556884384 1048100351 /nfs/dbraw/zinc/10/03/51/1048100351.db2.gz CAIMAIVIPKIVBM-XPWALMASSA-N 2 0 345.490 4.188 20 30 EIEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171197593 1048716109 /nfs/dbraw/zinc/71/61/09/1048716109.db2.gz ATFOHFUONSTSTI-SXSPYAJSSA-N 2 0 347.506 4.261 20 30 EIEDRP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171972316 1049834374 /nfs/dbraw/zinc/83/43/74/1049834374.db2.gz PZBRXSCGTBUYJT-IHPCNDPISA-N 2 0 325.500 4.102 20 30 EIEDRP CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171972318 1049834776 /nfs/dbraw/zinc/83/47/76/1049834776.db2.gz PZBRXSCGTBUYJT-SXLOBPIMSA-N 2 0 325.500 4.102 20 30 EIEDRP C#Cc1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974120 1049835549 /nfs/dbraw/zinc/83/55/49/1049835549.db2.gz ANVLHEOKRAMRJL-JOCHJYFZSA-N 2 0 332.491 4.201 20 30 EIEDRP CC1(C#N)CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172076913 1049845229 /nfs/dbraw/zinc/84/52/29/1049845229.db2.gz BAGOYTPPDMFNDV-AERCQKQUSA-N 2 0 337.511 4.198 20 30 EIEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300230 1049882743 /nfs/dbraw/zinc/88/27/43/1049882743.db2.gz UCIKELVLTWRVOT-SXSPYAJSSA-N 2 0 347.506 4.261 20 30 EIEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172297924 1049882863 /nfs/dbraw/zinc/88/28/63/1049882863.db2.gz BSBJKYLFWCHNOC-XJABCFGWSA-N 2 0 339.527 4.394 20 30 EIEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300231 1049883081 /nfs/dbraw/zinc/88/30/81/1049883081.db2.gz UCIKELVLTWRVOT-TZYHBYERSA-N 2 0 347.506 4.261 20 30 EIEDRP CCCCCCCC[C@H](CC)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172503782 1049924360 /nfs/dbraw/zinc/92/43/60/1049924360.db2.gz AVABAEWYPBKEDF-FQEVSTJZSA-N 2 0 325.585 4.085 20 30 EIEDRP C=CCN1CCC([NH2+][C@H](c2ccccc2OC)C2CCCC2)CC1 ZINC000091334229 1050252544 /nfs/dbraw/zinc/25/25/44/1050252544.db2.gz NHGCXFODYSHVHP-NRFANRHFSA-N 2 0 328.500 4.167 20 30 EIEDRP C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618801692 1050519795 /nfs/dbraw/zinc/51/97/95/1050519795.db2.gz BRJLGPRUFGRRIB-LXBDKUERSA-N 2 0 345.490 4.046 20 30 EIEDRP C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000277603859 1051796143 /nfs/dbraw/zinc/79/61/43/1051796143.db2.gz FHYKJCJEMGAXAJ-FQEVSTJZSA-N 2 0 327.516 4.160 20 30 EIEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159114380 1051814579 /nfs/dbraw/zinc/81/45/79/1051814579.db2.gz NESRLWZXTQCZKB-NHCUHLMSSA-N 2 0 339.527 4.303 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000174271497 1052563551 /nfs/dbraw/zinc/56/35/51/1052563551.db2.gz YTUONJKZYQWCHV-UHFFFAOYSA-N 2 0 327.516 4.338 20 30 EIEDRP CCCCCCC[NH+]1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001201776591 1054914623 /nfs/dbraw/zinc/91/46/23/1054914623.db2.gz GKKMKZHPPCRYIS-UHFFFAOYSA-N 2 0 329.532 4.340 20 30 EIEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246057 1020218593 /nfs/dbraw/zinc/21/85/93/1020218593.db2.gz XPHPLOIKXYBXNF-WZONZLPQSA-N 2 0 347.506 4.387 20 30 EIEDRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCCC3(C#N)CCC3)C2)CC1 ZINC001167254980 1020681718 /nfs/dbraw/zinc/68/17/18/1020681718.db2.gz CHCODQKQQOALRM-HXUWFJFHSA-N 2 0 331.548 4.294 20 30 EIEDRP N#Cc1csc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000177692990 1021523646 /nfs/dbraw/zinc/52/36/46/1021523646.db2.gz ZITDSCNPNLTXOO-UHFFFAOYSA-N 2 0 339.508 4.286 20 30 EIEDRP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237907 1026390216 /nfs/dbraw/zinc/39/02/16/1026390216.db2.gz FJEQXORTBCZGMF-QHCPKHFHSA-N 2 0 345.490 4.143 20 30 EIEDRP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745622 1027223603 /nfs/dbraw/zinc/22/36/03/1027223603.db2.gz RRWSUBDIQYAGIS-JTSKRJEESA-N 2 0 333.479 4.360 20 30 EIEDRP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC(C)(C)CC#N)ccc1OC ZINC000840786581 1029286777 /nfs/dbraw/zinc/28/67/77/1029286777.db2.gz SNCPNMNUSSUNMU-INIZCTEOSA-N 2 0 331.504 4.127 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340475725 1029302192 /nfs/dbraw/zinc/30/21/92/1029302192.db2.gz NKQGFHRHLCMBAT-NRFANRHFSA-N 2 0 325.500 4.181 20 30 EIEDRP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750084 1029806637 /nfs/dbraw/zinc/80/66/37/1029806637.db2.gz NTXDIIMMLJTUSV-SCWSEQNSSA-N 2 0 325.500 4.252 20 30 EIEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396076 1031046982 /nfs/dbraw/zinc/04/69/82/1031046982.db2.gz HHJCNYAXSVPKHY-SFHVURJKSA-N 2 0 348.494 4.253 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+]C3CCC(C)(C#N)CC3)c2)CC1 ZINC000449129452 1031462806 /nfs/dbraw/zinc/46/28/06/1031462806.db2.gz CJTPJZMAHUQJLQ-UHFFFAOYSA-N 2 0 339.527 4.481 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595001582 1035526375 /nfs/dbraw/zinc/52/63/75/1035526375.db2.gz XHYXCHADZALLDE-HXUWFJFHSA-N 2 0 339.527 4.208 20 30 EIEDRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130510 1036113341 /nfs/dbraw/zinc/11/33/41/1036113341.db2.gz RGMLRKLDYOEBCD-UHFFFAOYSA-N 2 0 347.506 4.325 20 30 EIEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602550615 1036499449 /nfs/dbraw/zinc/49/94/49/1036499449.db2.gz KUCURERLZUQOSR-UHFFFAOYSA-N 2 0 337.467 4.084 20 30 EIEDRP Cc1cc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)ccc1C#N ZINC000488293722 1037490241 /nfs/dbraw/zinc/49/02/41/1037490241.db2.gz YQFZEXUKQVOMOZ-RTBURBONSA-N 2 0 347.506 4.113 20 30 EIEDRP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)c1 ZINC000594501329 1038349148 /nfs/dbraw/zinc/34/91/48/1038349148.db2.gz ZEGBBCGTYMVFFC-UHFFFAOYSA-N 2 0 335.495 4.229 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000442674734 1039843658 /nfs/dbraw/zinc/84/36/58/1039843658.db2.gz XGSKOQVTYCZMCP-LJQANCHMSA-N 2 0 347.506 4.463 20 30 EIEDRP C=C(C)CN1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000482634089 1040407475 /nfs/dbraw/zinc/40/74/75/1040407475.db2.gz INELBPVNJFNCCJ-GOSISDBHSA-N 2 0 349.316 4.067 20 30 EIEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000463295326 1041479964 /nfs/dbraw/zinc/47/99/64/1041479964.db2.gz ZSGVVFFRMUGXPQ-RTWAWAEBSA-N 2 0 325.500 4.235 20 30 EIEDRP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593922 1041550656 /nfs/dbraw/zinc/55/06/56/1041550656.db2.gz WJYSGCPGBHGBNL-KCESLBEFSA-N 2 0 347.506 4.365 20 30 EIEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000439090360 1042496599 /nfs/dbraw/zinc/49/65/99/1042496599.db2.gz WPZPVKGMLUUXRU-JOCHJYFZSA-N 2 0 342.527 4.242 20 30 EIEDRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)ccc1C#N ZINC000443960261 1042697163 /nfs/dbraw/zinc/69/71/63/1042697163.db2.gz GDTQYTDZMJATFR-UHFFFAOYSA-N 2 0 333.479 4.142 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000543206505 1044132014 /nfs/dbraw/zinc/13/20/14/1044132014.db2.gz USXAISVYJRFTGP-LJQANCHMSA-N 2 0 339.527 4.229 20 30 EIEDRP C=CCOc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000010435287 1044328055 /nfs/dbraw/zinc/32/80/55/1044328055.db2.gz JNVNQWSYHOCQFU-UHFFFAOYSA-N 2 0 336.479 4.006 20 30 EIEDRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268132 1045015958 /nfs/dbraw/zinc/01/59/58/1045015958.db2.gz XXGGIPPHBXCPSE-SPEDKVCISA-N 2 0 333.479 4.119 20 30 EIEDRP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@H](C)C1 ZINC001170376162 1046034511 /nfs/dbraw/zinc/03/45/11/1046034511.db2.gz KMPSTSOXJKSDCK-DWOCFRCJSA-N 2 0 339.527 4.099 20 30 EIEDRP CC1(C)[C@@H]2C[C@@H]([N@H+](Cc3ccc(C#N)cc3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170735941 1047914393 /nfs/dbraw/zinc/91/43/93/1047914393.db2.gz BJEXEARFSALKPV-RSMWHSHJSA-N 2 0 337.511 4.065 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000809632658 1048444086 /nfs/dbraw/zinc/44/40/86/1048444086.db2.gz UVJDCBDDOYVJNE-UHFFFAOYSA-N 2 0 332.491 4.190 20 30 EIEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171197595 1048717383 /nfs/dbraw/zinc/71/73/83/1048717383.db2.gz ATFOHFUONSTSTI-TZYHBYERSA-N 2 0 347.506 4.261 20 30 EIEDRP CCC(CC)[N@H+]([C@@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198270 1048720990 /nfs/dbraw/zinc/72/09/90/1048720990.db2.gz JGCVCKPWSZFMHE-LRQRDZAKSA-N 2 0 327.516 4.250 20 30 EIEDRP C[C@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000810238666 1048721712 /nfs/dbraw/zinc/72/17/12/1048721712.db2.gz RYTLXPPTPRJXNB-XZOQPEGZSA-N 2 0 345.490 4.047 20 30 EIEDRP C[C@@]1(C[NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000810238664 1048722802 /nfs/dbraw/zinc/72/28/02/1048722802.db2.gz RYTLXPPTPRJXNB-GOTSBHOMSA-N 2 0 345.490 4.047 20 30 EIEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199368 1048729460 /nfs/dbraw/zinc/72/94/60/1048729460.db2.gz YWUHSZHIYXWUDJ-NQSCKRDGSA-N 2 0 339.527 4.394 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000772949898 1048887572 /nfs/dbraw/zinc/88/75/72/1048887572.db2.gz ZDXXQQCLCRFVHC-MRXNPFEDSA-N 2 0 336.907 4.341 20 30 EIEDRP Cc1cc(C#N)ccc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000615798788 1049781114 /nfs/dbraw/zinc/78/11/14/1049781114.db2.gz YEVPXCCYEKNCIB-MOJGAOKDSA-N 2 0 347.506 4.113 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248933994 1050084856 /nfs/dbraw/zinc/08/48/56/1050084856.db2.gz YDDSBFUFQGFRSS-DBXWQHBBSA-N 2 0 325.500 4.090 20 30 EIEDRP CC[NH+](CC)C1CCC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1 ZINC001173113349 1050309490 /nfs/dbraw/zinc/30/94/90/1050309490.db2.gz NMBFQTZIDXSLGG-UHFFFAOYSA-N 2 0 339.527 4.391 20 30 EIEDRP CC[C@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173268730 1050389423 /nfs/dbraw/zinc/38/94/23/1050389423.db2.gz CFQCWGLJCNKHQJ-LRGNLBRXSA-N 2 0 325.500 4.209 20 30 EIEDRP CC[C@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271411 1050391706 /nfs/dbraw/zinc/39/17/06/1050391706.db2.gz QGDNXDUKCFUTQF-LRGNLBRXSA-N 2 0 325.500 4.209 20 30 EIEDRP CCCCCCCCC[C@H](CCC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001173285402 1050413089 /nfs/dbraw/zinc/41/30/89/1050413089.db2.gz ULNKFLIYFQHMNO-OALUTQOASA-N 2 0 341.584 4.129 20 30 EIEDRP C=CCOC1CCC([NH+]2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001173327633 1050419782 /nfs/dbraw/zinc/41/97/82/1050419782.db2.gz QEQKCPUGYRJBAD-UHFFFAOYSA-N 2 0 342.527 4.097 20 30 EIEDRP N#CCC1CCC([N@@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173334340 1050425969 /nfs/dbraw/zinc/42/59/69/1050425969.db2.gz VLOGNBXFQDKTEP-YAEFEIELSA-N 2 0 343.490 4.370 20 30 EIEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001173591381 1050495493 /nfs/dbraw/zinc/49/54/93/1050495493.db2.gz HAHJQLWDYDQRNI-UHFFFAOYSA-N 2 0 331.891 4.062 20 30 EIEDRP C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618801690 1050520171 /nfs/dbraw/zinc/52/01/71/1050520171.db2.gz BRJLGPRUFGRRIB-HYVJGQCMSA-N 2 0 345.490 4.046 20 30 EIEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCc4cc(C#N)ccc43)CC2)C1 ZINC000618808023 1050536365 /nfs/dbraw/zinc/53/63/65/1050536365.db2.gz YNSNMQRGPSMPKW-BUVFEPMLSA-N 2 0 337.511 4.178 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619465920 1050790635 /nfs/dbraw/zinc/79/06/35/1050790635.db2.gz HYVYPFDOSLLCMZ-NFBKMPQASA-N 2 0 345.490 4.047 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000775395799 1051211707 /nfs/dbraw/zinc/21/17/07/1051211707.db2.gz MFCJPTJTRADXQC-QETWGEEDSA-N 2 0 337.511 4.322 20 30 EIEDRP C=CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194344 1051494746 /nfs/dbraw/zinc/49/47/46/1051494746.db2.gz XJQZDDHYOHQRBV-BXXSPATCSA-N 2 0 347.506 4.484 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]CC(C)(C)CCC#N)cc1 ZINC000174270749 1052564183 /nfs/dbraw/zinc/56/41/83/1052564183.db2.gz DJXVNBVHXCFNIY-SFHVURJKSA-N 2 0 327.516 4.481 20 30 EIEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001168602706 1055104610 /nfs/dbraw/zinc/10/46/10/1055104610.db2.gz VXJWKIAZXFQBPA-ACRUOGEOSA-N 2 0 327.516 4.294 20 30 EIEDRP Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001169693550 1060902685 /nfs/dbraw/zinc/90/26/85/1060902685.db2.gz WURSPWYRCVBLAB-OEBVFIGYSA-N 2 0 347.466 4.020 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067668338 524235159 /nfs/dbraw/zinc/23/51/59/524235159.db2.gz PCTVJXDVGGCXGM-GOSISDBHSA-N 2 0 333.479 4.080 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000613255163 1021834731 /nfs/dbraw/zinc/83/47/31/1021834731.db2.gz NUXQBEYDAFACJA-UIFIKXQLSA-N 2 0 325.500 4.233 20 30 EIEDRP C[NH+](C)Cc1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000014241038 1022864390 /nfs/dbraw/zinc/86/43/90/1022864390.db2.gz QEAQVHZCNXFWAN-UHFFFAOYSA-N 2 0 347.506 4.242 20 30 EIEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001167840379 1025865104 /nfs/dbraw/zinc/86/51/04/1025865104.db2.gz FZQICLHZXIMNET-SFHVURJKSA-N 2 0 327.516 4.248 20 30 EIEDRP C[NH+](C)CC[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)(C)C ZINC000507643991 1026864220 /nfs/dbraw/zinc/86/42/20/1026864220.db2.gz JTFQOOASCBOWGM-SNCIUUNGSA-N 2 0 341.543 4.347 20 30 EIEDRP C=CC[NH+]1CCC(Nc2cc(C)[nH+]c3ccc(OC(F)F)cc23)CC1 ZINC000301400687 1029726665 /nfs/dbraw/zinc/72/66/65/1029726665.db2.gz PZJBURVBJDONCJ-UHFFFAOYSA-N 2 0 347.409 4.207 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000525709731 1029945971 /nfs/dbraw/zinc/94/59/71/1029945971.db2.gz MPUKEULRSOUWPA-UHFFFAOYSA-N 2 0 327.516 4.482 20 30 EIEDRP CCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000447589208 1030190911 /nfs/dbraw/zinc/19/09/11/1030190911.db2.gz XAHJPGYGITUPQY-SFTDATJTSA-N 2 0 339.527 4.351 20 30 EIEDRP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165156 1030862225 /nfs/dbraw/zinc/86/22/25/1030862225.db2.gz PVRVPGYOCRXLFL-NHCUHLMSSA-N 2 0 327.516 4.018 20 30 EIEDRP CC1(C#N)CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449332160 1031628284 /nfs/dbraw/zinc/62/82/84/1031628284.db2.gz BXVGWEDTUWBAKS-HWELCPFYSA-N 2 0 339.527 4.351 20 30 EIEDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)cc1F ZINC000512654743 1033631027 /nfs/dbraw/zinc/63/10/27/1033631027.db2.gz OJGVVDQZNJLLNR-BBWFWOEESA-N 2 0 331.479 4.106 20 30 EIEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000596979773 1036062415 /nfs/dbraw/zinc/06/24/15/1036062415.db2.gz OCNABNAMWTZQLH-UHFFFAOYSA-N 2 0 339.527 4.186 20 30 EIEDRP C[C@H](CCC#N)C[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000602537593 1036490164 /nfs/dbraw/zinc/49/01/64/1036490164.db2.gz GWPIHTDMIHTSLZ-MRXNPFEDSA-N 2 0 333.907 4.081 20 30 EIEDRP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161948 1036696997 /nfs/dbraw/zinc/69/69/97/1036696997.db2.gz JUHZTMMLWZIJNL-KRWDZBQOSA-N 2 0 333.545 4.140 20 30 EIEDRP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCC(C)(C)C#N)C2)s1 ZINC000589161949 1036698167 /nfs/dbraw/zinc/69/81/67/1036698167.db2.gz JUHZTMMLWZIJNL-QGZVFWFLSA-N 2 0 333.545 4.140 20 30 EIEDRP Cc1cc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1C#N ZINC000488191495 1037395923 /nfs/dbraw/zinc/39/59/23/1037395923.db2.gz AILLCUVFVKNKBD-WMZHIEFXSA-N 2 0 347.506 4.352 20 30 EIEDRP Cc1cc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488293720 1037491188 /nfs/dbraw/zinc/49/11/88/1037491188.db2.gz YQFZEXUKQVOMOZ-MOJGAOKDSA-N 2 0 347.506 4.113 20 30 EIEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423020216 1037903236 /nfs/dbraw/zinc/90/32/36/1037903236.db2.gz ZHYYZTOJEKNCDV-DNVJHFABSA-N 2 0 345.490 4.236 20 30 EIEDRP N#Cc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000063776016 1038824841 /nfs/dbraw/zinc/82/48/41/1038824841.db2.gz YNPVZMKCSDQDRJ-UHFFFAOYSA-N 2 0 333.479 4.224 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000476983660 1040096790 /nfs/dbraw/zinc/09/67/90/1040096790.db2.gz LXMYJMPWYCEYFR-KRWDZBQOSA-N 2 0 343.490 4.174 20 30 EIEDRP N#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000112710494 1043140613 /nfs/dbraw/zinc/14/06/13/1043140613.db2.gz DOGRRNMLWZXHOH-UHFFFAOYSA-N 2 0 333.479 4.224 20 30 EIEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2cccc(C#N)c2)CC1)CC1CC1 ZINC000442893337 1043885763 /nfs/dbraw/zinc/88/57/63/1043885763.db2.gz GGFCWHBGACPOJN-SFHVURJKSA-N 2 0 339.527 4.453 20 30 EIEDRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+]Cc2ccc(C#N)o2)cc1 ZINC000174262518 1044242663 /nfs/dbraw/zinc/24/26/63/1044242663.db2.gz KPIRFNQGVPRUGA-UHFFFAOYSA-N 2 0 345.446 4.170 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C1 ZINC000174269911 1044245706 /nfs/dbraw/zinc/24/57/06/1044245706.db2.gz QYRUVMKYESDUBI-GOSISDBHSA-N 2 0 327.516 4.338 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093844596 1044857613 /nfs/dbraw/zinc/85/76/13/1044857613.db2.gz CBQVUOGVTVXRKV-MRXNPFEDSA-N 2 0 331.529 4.096 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390639 1045297756 /nfs/dbraw/zinc/29/77/56/1045297756.db2.gz MJBZUZNGBVEZMU-UWJYYQICSA-N 2 0 325.500 4.180 20 30 EIEDRP C=CCOc1ccccc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000065976639 1046579870 /nfs/dbraw/zinc/57/98/70/1046579870.db2.gz MFJIYEIXMFRGFB-UHFFFAOYSA-N 2 0 338.495 4.381 20 30 EIEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000537408829 1047202997 /nfs/dbraw/zinc/20/29/97/1047202997.db2.gz PXINXQYBQKRFPV-MRXNPFEDSA-N 2 0 331.479 4.106 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cc1 ZINC000809622332 1048439434 /nfs/dbraw/zinc/43/94/34/1048439434.db2.gz YSBUFPJIAAVKAA-UHFFFAOYSA-N 2 0 344.458 4.183 20 30 EIEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001171186875 1048679952 /nfs/dbraw/zinc/67/99/52/1048679952.db2.gz ZPADDTMOVFDAAM-SFHVURJKSA-N 2 0 339.527 4.124 20 30 EIEDRP C[C@@]1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)CC[N@H+](Cc2ccccc2)C1 ZINC000810238665 1048720872 /nfs/dbraw/zinc/72/08/72/1048720872.db2.gz RYTLXPPTPRJXNB-PKTZIBPZSA-N 2 0 345.490 4.047 20 30 EIEDRP C#Cc1ccc(C[NH+]2C[C@H]3c4ccccc4[C@H]([N@@H+](C)C(C)C)[C@H]3C2)cc1 ZINC001144574003 1048733426 /nfs/dbraw/zinc/73/34/26/1048733426.db2.gz XPISAAORTFJELY-HJOGWXRNSA-N 2 0 344.502 4.278 20 30 EIEDRP N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172065770 1049850898 /nfs/dbraw/zinc/85/08/98/1049850898.db2.gz QMSNOHOZIBLCJL-SFASTMRJSA-N 2 0 337.511 4.244 20 30 EIEDRP C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172510297 1049925953 /nfs/dbraw/zinc/92/59/53/1049925953.db2.gz ZHOAFLGYXCWQCB-CTNGQTDRSA-N 2 0 325.500 4.057 20 30 EIEDRP CCCCCCC[C@H](CCC)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172510948 1049927072 /nfs/dbraw/zinc/92/70/72/1049927072.db2.gz KNRWUXJQYLZQTA-FQEVSTJZSA-N 2 0 325.585 4.085 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248933996 1050085508 /nfs/dbraw/zinc/08/55/08/1050085508.db2.gz YDDSBFUFQGFRSS-LQWHRVPQSA-N 2 0 325.500 4.090 20 30 EIEDRP CC1(C#N)CCC([N@H+](Cc2cccc(F)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591229 1050495212 /nfs/dbraw/zinc/49/52/12/1050495212.db2.gz MWMJFKQCHRYNSI-GOHCJOFJSA-N 2 0 343.490 4.370 20 30 EIEDRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCc4cc(C#N)ccc43)CC2)C1 ZINC000618808025 1050535213 /nfs/dbraw/zinc/53/52/13/1050535213.db2.gz YNSNMQRGPSMPKW-QGCDCVKKSA-N 2 0 337.511 4.178 20 30 EIEDRP CC[N@H+](CCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1)C1CCCCC1 ZINC001179091683 1050628203 /nfs/dbraw/zinc/62/82/03/1050628203.db2.gz WPRGKDRHRCRGSV-UHFFFAOYSA-N 2 0 339.527 4.376 20 30 EIEDRP N#Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cs1 ZINC000921626498 1054182205 /nfs/dbraw/zinc/18/22/05/1054182205.db2.gz CDMSKEMLYIDASU-UHFFFAOYSA-N 2 0 339.508 4.286 20 30 EIEDRP C=CCC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC001202380646 1055158420 /nfs/dbraw/zinc/15/84/20/1055158420.db2.gz FTZRRFUCRLFNLC-UHFFFAOYSA-N 2 0 342.527 4.387 20 30 EIEDRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000153709781 1056067427 /nfs/dbraw/zinc/06/74/27/1056067427.db2.gz YRNPCYXAKMBCSC-HZPDHXFCSA-N 2 0 330.435 4.464 20 30 EIEDRP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246051 1020217706 /nfs/dbraw/zinc/21/77/06/1020217706.db2.gz XPHPLOIKXYBXNF-FDDCHVKYSA-N 2 0 347.506 4.387 20 30 EIEDRP N#Cc1csc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000177692846 1021456237 /nfs/dbraw/zinc/45/62/37/1021456237.db2.gz NHYYFNPEROWAJF-UHFFFAOYSA-N 2 0 339.508 4.286 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000613255159 1021834889 /nfs/dbraw/zinc/83/48/89/1021834889.db2.gz NUXQBEYDAFACJA-JRGCBEDISA-N 2 0 325.500 4.233 20 30 EIEDRP C=CCC[C@H](CCC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000581681756 1023589185 /nfs/dbraw/zinc/58/91/85/1023589185.db2.gz GUGYUBOUYSUMAK-IBGZPJMESA-N 2 0 330.516 4.384 20 30 EIEDRP CC[C@H]1CCCC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538397989 1025388708 /nfs/dbraw/zinc/38/87/08/1025388708.db2.gz IKIBLHFSHOGATD-FPOVZHCZSA-N 2 0 325.500 4.081 20 30 EIEDRP C[C@H]([NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000540593924 1026419676 /nfs/dbraw/zinc/41/96/76/1026419676.db2.gz WJYSGCPGBHGBNL-QPXQOZNCSA-N 2 0 347.506 4.365 20 30 EIEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000525248946 1029531540 /nfs/dbraw/zinc/53/15/40/1029531540.db2.gz HSMXJBJWLRJTOS-SFHVURJKSA-N 2 0 333.479 4.395 20 30 EIEDRP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000447512179 1030129196 /nfs/dbraw/zinc/12/91/96/1030129196.db2.gz XJAAEQWVUIRQHD-QFIPXVFZSA-N 2 0 333.479 4.395 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)C1 ZINC000449080618 1031436839 /nfs/dbraw/zinc/43/68/39/1031436839.db2.gz XRESEBZGFOIFLX-XTWGIRIWSA-N 2 0 339.527 4.481 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000531654918 1031448557 /nfs/dbraw/zinc/44/85/57/1031448557.db2.gz VGOBXVVUNJXTQM-GOSISDBHSA-N 2 0 325.500 4.035 20 30 EIEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614159665 1033529022 /nfs/dbraw/zinc/52/90/22/1033529022.db2.gz MMIAKDXPJBRCQN-UHFFFAOYSA-N 2 0 327.516 4.042 20 30 EIEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614164705 1033548682 /nfs/dbraw/zinc/54/86/82/1033548682.db2.gz RSITWKHXRBEUEM-UHFFFAOYSA-N 2 0 327.516 4.040 20 30 EIEDRP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)cc1 ZINC000594917915 1038426729 /nfs/dbraw/zinc/42/67/29/1038426729.db2.gz LOIQYRDIPPCVIS-UHFFFAOYSA-N 2 0 347.506 4.373 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000442688643 1039885350 /nfs/dbraw/zinc/88/53/50/1039885350.db2.gz DMKYNBBBKBPCES-GOSISDBHSA-N 2 0 325.500 4.207 20 30 EIEDRP CCCC[NH+]1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916690 1039893264 /nfs/dbraw/zinc/89/32/64/1039893264.db2.gz HAPZIEAKVDUICS-NRFANRHFSA-N 2 0 325.500 4.180 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516690452 1041709482 /nfs/dbraw/zinc/70/94/82/1041709482.db2.gz PJPJWWRSQMRYHQ-JWNTYJGQSA-N 2 0 345.490 4.046 20 30 EIEDRP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)ccc1C#N ZINC000443979233 1042716239 /nfs/dbraw/zinc/71/62/39/1042716239.db2.gz OLCRVRGYBCLZTR-UHFFFAOYSA-N 2 0 347.506 4.388 20 30 EIEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000185828679 1043222680 /nfs/dbraw/zinc/22/26/80/1043222680.db2.gz JJWDUUJFTZPPQQ-RXVVDRJESA-N 2 0 325.500 4.235 20 30 EIEDRP C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000442674729 1043801562 /nfs/dbraw/zinc/80/15/62/1043801562.db2.gz XGSKOQVTYCZMCP-IBGZPJMESA-N 2 0 347.506 4.463 20 30 EIEDRP C=C(C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000675336098 1044159435 /nfs/dbraw/zinc/15/94/35/1044159435.db2.gz VBOOMKVZCTYTSG-UHFFFAOYSA-N 2 0 349.522 4.020 20 30 EIEDRP C#Cc1cccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168019154 1044337925 /nfs/dbraw/zinc/33/79/25/1044337925.db2.gz GXJFUHYOFPBQNU-OALUTQOASA-N 2 0 332.491 4.199 20 30 EIEDRP C#CCCC[NH2+][C@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000788776185 1047312163 /nfs/dbraw/zinc/31/21/63/1047312163.db2.gz KPZUZAZJXKOJRQ-OAQYLSRUSA-N 2 0 330.491 4.382 20 30 EIEDRP CC1(C)[C@@H]2C[C@H]([N@H+](Cc3cccc(C#N)c3)[C@H]3CC[C@H]([NH3+])CC3)C[C@@H]21 ZINC001170736449 1047924305 /nfs/dbraw/zinc/92/43/05/1047924305.db2.gz MOHLPNRUTJQJTF-YXOJAJARSA-N 2 0 337.511 4.065 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000809605927 1048412806 /nfs/dbraw/zinc/41/28/06/1048412806.db2.gz JTYMYBXWZRUAMX-IBGZPJMESA-N 2 0 332.491 4.190 20 30 EIEDRP CCC(CC)[N@H+]([C@H](C)Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171198272 1048722305 /nfs/dbraw/zinc/72/23/05/1048722305.db2.gz JGCVCKPWSZFMHE-OZOXKJRCSA-N 2 0 327.516 4.250 20 30 EIEDRP C#Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001144580711 1048729587 /nfs/dbraw/zinc/72/95/87/1048729587.db2.gz FXKJMWLYSRTPFZ-BJKOFHAPSA-N 2 0 344.502 4.012 20 30 EIEDRP C=CCN1CCC([NH2+][C@@H](Cc2ccccc2Cl)c2ccoc2)CC1 ZINC000820809691 1049553473 /nfs/dbraw/zinc/55/34/73/1049553473.db2.gz GQQNWGVHBOVKJU-FQEVSTJZSA-N 2 0 344.886 4.457 20 30 EIEDRP C[NH+]1C(C)(C)CC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1(C)C ZINC001171637905 1049778579 /nfs/dbraw/zinc/77/85/79/1049778579.db2.gz RYKIUDWLZQNRSB-UHFFFAOYSA-N 2 0 339.527 4.389 20 30 EIEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172297922 1049883072 /nfs/dbraw/zinc/88/30/72/1049883072.db2.gz BSBJKYLFWCHNOC-NQSCKRDGSA-N 2 0 339.527 4.394 20 30 EIEDRP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001172494400 1049921554 /nfs/dbraw/zinc/92/15/54/1049921554.db2.gz GPDAYEZDDAKJIA-PIKOESSRSA-N 2 0 345.556 4.363 20 30 EIEDRP CCCCCCCC[C@@H](CC)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172504413 1049924409 /nfs/dbraw/zinc/92/44/09/1049924409.db2.gz FGIVIFXSIMTOJD-OAQYLSRUSA-N 2 0 337.596 4.229 20 30 EIEDRP CCCCCCCC[C@@H](CC)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172503783 1049924629 /nfs/dbraw/zinc/92/46/29/1049924629.db2.gz AVABAEWYPBKEDF-HXUWFJFHSA-N 2 0 325.585 4.085 20 30 EIEDRP C[C@@H](CCCC#N)[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172510298 1049925141 /nfs/dbraw/zinc/92/51/41/1049925141.db2.gz ZHOAFLGYXCWQCB-FPOVZHCZSA-N 2 0 325.500 4.057 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000248789108 1050077503 /nfs/dbraw/zinc/07/75/03/1050077503.db2.gz IOTXUULZYLNZMI-DUXKGJEZSA-N 2 0 325.500 4.090 20 30 EIEDRP CC(C)(CCC#N)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043831 1050310962 /nfs/dbraw/zinc/31/09/62/1050310962.db2.gz NFECZAHYKNSFAD-NHCUHLMSSA-N 2 0 339.527 4.303 20 30 EIEDRP CC1(C#N)CCC([N@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591141 1050494898 /nfs/dbraw/zinc/49/48/98/1050494898.db2.gz KCNYVHCQCCYFBP-GOHCJOFJSA-N 2 0 325.500 4.231 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000775395795 1051210891 /nfs/dbraw/zinc/21/08/91/1051210891.db2.gz MFCJPTJTRADXQC-AOMIVXANSA-N 2 0 337.511 4.322 20 30 EIEDRP C=C[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193943417 1052044627 /nfs/dbraw/zinc/04/46/27/1052044627.db2.gz WUBTVIJGNLNYIK-JOCHJYFZSA-N 2 0 326.528 4.372 20 30 EIEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000123925084 1054365107 /nfs/dbraw/zinc/36/51/07/1054365107.db2.gz SLMNCDZAJLITES-GOSISDBHSA-N 2 0 336.479 4.001 20 30 EIEDRP C[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC001200941839 1054596308 /nfs/dbraw/zinc/59/63/08/1054596308.db2.gz KTBPMJIIKVVYIE-IBGZPJMESA-N 2 0 349.522 4.488 20 30 EIEDRP Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000153709621 1056066683 /nfs/dbraw/zinc/06/66/83/1056066683.db2.gz YRNPCYXAKMBCSC-CVEARBPZSA-N 2 0 330.435 4.464 20 30 EIEDRP CCCCCCC[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397583678 1021019161 /nfs/dbraw/zinc/01/91/61/1021019161.db2.gz HYQCUOAFYAFEQP-FQEVSTJZSA-N 2 0 346.559 4.352 20 30 EIEDRP N#Cc1csc(CNC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000380153366 1022737794 /nfs/dbraw/zinc/73/77/94/1022737794.db2.gz SLOUPGMFNBYBDZ-SFHVURJKSA-N 2 0 339.508 4.012 20 30 EIEDRP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962498 1022745541 /nfs/dbraw/zinc/74/55/41/1022745541.db2.gz BTYILOLPIVWLBN-RXVVDRJESA-N 2 0 333.479 4.121 20 30 EIEDRP C=CCN1CCC([NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000177905598 1022826741 /nfs/dbraw/zinc/82/67/41/1022826741.db2.gz QBLLOSRHCUTOSN-QGZVFWFLSA-N 2 0 345.506 4.117 20 30 EIEDRP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779948 1023311124 /nfs/dbraw/zinc/31/11/24/1023311124.db2.gz XYEGPCOCRAPGQP-AVRDEDQJSA-N 2 0 345.490 4.406 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1)CC1CC1 ZINC000544121288 1023352517 /nfs/dbraw/zinc/35/25/17/1023352517.db2.gz CWPYNYKTXSCHRT-UHFFFAOYSA-N 2 0 339.527 4.087 20 30 EIEDRP C[C@H]1C[C@@H](CC[NH2+]C2CCC(C)(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000449212735 1031541094 /nfs/dbraw/zinc/54/10/94/1031541094.db2.gz IYXPQGWFUFNMLH-GRTSPXDGSA-N 2 0 339.527 4.349 20 30 EIEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453292661 1031809918 /nfs/dbraw/zinc/80/99/18/1031809918.db2.gz OGPIFXUJWUPIFG-GLOJMNGXSA-N 2 0 337.511 4.102 20 30 EIEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000614160940 1033533248 /nfs/dbraw/zinc/53/32/48/1033533248.db2.gz XSEJHNVXYHREQM-UHFFFAOYSA-N 2 0 341.543 4.432 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1ccc(C#N)cc1 ZINC000398147902 1034550471 /nfs/dbraw/zinc/55/04/71/1034550471.db2.gz OOXSMCYNSVHMQF-KGVIQGDOSA-N 2 0 333.479 4.119 20 30 EIEDRP C[C@H](CCC#N)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596592267 1035910707 /nfs/dbraw/zinc/91/07/07/1035910707.db2.gz LVELMNHANVKZRE-NQIIRXRSSA-N 2 0 339.527 4.301 20 30 EIEDRP Cc1cc[nH+]c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C1CC1 ZINC000597193660 1036138005 /nfs/dbraw/zinc/13/80/05/1036138005.db2.gz VVCQCVNHVQIDBX-UHFFFAOYSA-N 2 0 346.478 4.216 20 30 EIEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000589336981 1036737786 /nfs/dbraw/zinc/73/77/86/1036737786.db2.gz PIBPUFATLGATBO-REWPJTCUSA-N 2 0 345.490 4.047 20 30 EIEDRP N#CCCC1CC[NH+](CCCCC[NH+]2CCC(CCC#N)CC2)CC1 ZINC000574154209 1037934670 /nfs/dbraw/zinc/93/46/70/1037934670.db2.gz POCLFGNDZZJXNZ-UHFFFAOYSA-N 2 0 344.547 4.188 20 30 EIEDRP C=CCOc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1Cl ZINC000414816022 1039099996 /nfs/dbraw/zinc/09/99/96/1039099996.db2.gz YWZNYSFOZJEFDB-AWEZNQCLSA-N 2 0 330.859 4.214 20 30 EIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000463285028 1041475512 /nfs/dbraw/zinc/47/55/12/1041475512.db2.gz SKKVPNVUPRWQKG-WEMPKCCASA-N 2 0 339.527 4.336 20 30 EIEDRP C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443604079 1042117947 /nfs/dbraw/zinc/11/79/47/1042117947.db2.gz SBWDQRPFTKUCMG-GOSISDBHSA-N 2 0 325.500 4.207 20 30 EIEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1)C1CC1 ZINC000439090361 1042496199 /nfs/dbraw/zinc/49/61/99/1042496199.db2.gz WPZPVKGMLUUXRU-QFIPXVFZSA-N 2 0 342.527 4.242 20 30 EIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271984502 1042607869 /nfs/dbraw/zinc/60/78/69/1042607869.db2.gz ZUFJFZFJFDZYBG-INIZCTEOSA-N 2 0 339.458 4.390 20 30 EIEDRP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)ccc1C#N ZINC000443979341 1042715223 /nfs/dbraw/zinc/71/52/23/1042715223.db2.gz ANOUYSMEXGYIMO-GOSISDBHSA-N 2 0 347.506 4.388 20 30 EIEDRP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)ccc1C#N ZINC000443989507 1042723890 /nfs/dbraw/zinc/72/38/90/1042723890.db2.gz LJGTWCFSYNCZJC-UHFFFAOYSA-N 2 0 347.506 4.388 20 30 EIEDRP N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000185828698 1043224726 /nfs/dbraw/zinc/22/47/26/1043224726.db2.gz JJWDUUJFTZPPQQ-WIYYLYMNSA-N 2 0 325.500 4.235 20 30 EIEDRP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000172574899 1043803474 /nfs/dbraw/zinc/80/34/74/1043803474.db2.gz TZJKVELZAJRUQT-PGRDOPGGSA-N 2 0 333.479 4.043 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000543185617 1044072638 /nfs/dbraw/zinc/07/26/38/1044072638.db2.gz MATSASXPSBPISR-UHFFFAOYSA-N 2 0 327.516 4.087 20 30 EIEDRP N#CC1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000282438746 1045242344 /nfs/dbraw/zinc/24/23/44/1045242344.db2.gz UIGVJSXXDQESJD-KXTCYSFASA-N 2 0 337.511 4.102 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000611390240 1045302813 /nfs/dbraw/zinc/30/28/13/1045302813.db2.gz LMZDCQOKMZLKBJ-QHCPKHFHSA-N 2 0 345.490 4.321 20 30 EIEDRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000611526255 1045320979 /nfs/dbraw/zinc/32/09/79/1045320979.db2.gz FVGFICUZCWZRQR-OCYFJXFZSA-N 2 0 345.490 4.404 20 30 EIEDRP C[C@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CC(C)(C)CC[NH3+] ZINC001170365372 1046017719 /nfs/dbraw/zinc/01/77/19/1046017719.db2.gz XNEFBOCESWOONT-NLMOZGTASA-N 2 0 341.543 4.381 20 30 EIEDRP N#Cc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000536708879 1046721876 /nfs/dbraw/zinc/72/18/76/1046721876.db2.gz ZMLIPLRKBGTSKT-UHFFFAOYSA-N 2 0 345.490 4.046 20 30 EIEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001171186872 1048679662 /nfs/dbraw/zinc/67/96/62/1048679662.db2.gz ZPADDTMOVFDAAM-GOSISDBHSA-N 2 0 339.527 4.124 20 30 EIEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)CC2 ZINC000810215448 1048683964 /nfs/dbraw/zinc/68/39/64/1048683964.db2.gz FOKHCERCQJJPSI-NRFANRHFSA-N 2 0 325.500 4.181 20 30 EIEDRP Cc1cc(C#N)ccc1C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000615798793 1049780144 /nfs/dbraw/zinc/78/01/44/1049780144.db2.gz YEVPXCCYEKNCIB-OALUTQOASA-N 2 0 347.506 4.113 20 30 EIEDRP Cc1cc(C#N)ccc1C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000615798795 1049780718 /nfs/dbraw/zinc/78/07/18/1049780718.db2.gz YEVPXCCYEKNCIB-RTBURBONSA-N 2 0 347.506 4.113 20 30 EIEDRP N#CCC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172074654 1049845067 /nfs/dbraw/zinc/84/50/67/1049845067.db2.gz JLBFWRCNZLBTHU-ZBYYUNFXSA-N 2 0 337.511 4.198 20 30 EIEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172083233 1049848042 /nfs/dbraw/zinc/84/80/42/1049848042.db2.gz OQNVBMSTGDSJTP-YVMUJHKSSA-N 2 0 349.522 4.339 20 30 EIEDRP N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172064538 1049851120 /nfs/dbraw/zinc/85/11/20/1049851120.db2.gz GZRJWQRTBOLHRO-WBDAEOGXSA-N 2 0 345.490 4.234 20 30 EIEDRP C[C@@H](CCCC#N)[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493866 1049921398 /nfs/dbraw/zinc/92/13/98/1049921398.db2.gz WDTOAHIKXJLJKP-SNRMKQJTSA-N 2 0 333.907 4.494 20 30 EIEDRP C[C@H](CCCC#N)[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001172496496 1049922145 /nfs/dbraw/zinc/92/21/45/1049922145.db2.gz NAVTXZMJALPLAJ-IEBWSBKVSA-N 2 0 329.488 4.038 20 30 EIEDRP CCCCCCC[C@@H](CCC)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172502593 1049922716 /nfs/dbraw/zinc/92/27/16/1049922716.db2.gz RFIVVMUURJMZQZ-LJQANCHMSA-N 2 0 325.585 4.131 20 30 EIEDRP CCCCCCCC[C@H](CC)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172506305 1049924580 /nfs/dbraw/zinc/92/45/80/1049924580.db2.gz QXYFPKMZHBYRJP-IBGZPJMESA-N 2 0 325.585 4.131 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248859626 1050080588 /nfs/dbraw/zinc/08/05/88/1050080588.db2.gz PPRCWTFKJJPZNS-OPYAIIAOSA-N 2 0 325.500 4.233 20 30 EIEDRP CCCCCCCC[C@H](CCC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001173308694 1050404694 /nfs/dbraw/zinc/40/46/94/1050404694.db2.gz ODVZZMMDXPKBDT-FQEVSTJZSA-N 2 0 325.585 4.133 20 30 EIEDRP N#CCC1CCC([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001173334315 1050425457 /nfs/dbraw/zinc/42/54/57/1050425457.db2.gz VIVWDEVMWZRZJC-UHFFFAOYSA-N 2 0 331.891 4.062 20 30 EIEDRP CC1(C#N)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001173588475 1050495037 /nfs/dbraw/zinc/49/50/37/1050495037.db2.gz IJNJXDJOLYSFDF-YFZZKHBCSA-N 2 0 337.511 4.244 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618801691 1050519384 /nfs/dbraw/zinc/51/93/84/1050519384.db2.gz BRJLGPRUFGRRIB-JWNTYJGQSA-N 2 0 345.490 4.046 20 30 EIEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCc4cc(C#N)ccc43)CC2)C1 ZINC000618808024 1050536803 /nfs/dbraw/zinc/53/68/03/1050536803.db2.gz YNSNMQRGPSMPKW-CNDZOEFASA-N 2 0 337.511 4.178 20 30 EIEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001190406702 1051176720 /nfs/dbraw/zinc/17/67/20/1051176720.db2.gz JNUAGWHSITYHOC-UHFFFAOYSA-N 2 0 333.907 4.156 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000774494034 1051616685 /nfs/dbraw/zinc/61/66/85/1051616685.db2.gz BZKCNFFMRHQIST-MRXNPFEDSA-N 2 0 348.918 4.343 20 30 EIEDRP C#CC[C@@H]1CC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068933 1051904542 /nfs/dbraw/zinc/90/45/42/1051904542.db2.gz FLBQJGQXMCMCPF-ZJSXRUAMSA-N 2 0 346.518 4.247 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000765289637 1053493944 /nfs/dbraw/zinc/49/39/44/1053493944.db2.gz CHWHZBRXXIXJIR-IRXDYDNUSA-N 2 0 336.907 4.200 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2csc(C#N)c2)cc1 ZINC000921528698 1053700118 /nfs/dbraw/zinc/70/01/18/1053700118.db2.gz HQBJFPHBIATCOC-INIZCTEOSA-N 2 0 339.508 4.284 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)C1 ZINC000921528789 1053700412 /nfs/dbraw/zinc/70/04/12/1053700412.db2.gz IXHARXQBHVNUNS-MRXNPFEDSA-N 2 0 339.508 4.141 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000765777954 1055269242 /nfs/dbraw/zinc/26/92/42/1055269242.db2.gz BIYAFTYJVYUAHJ-MRXNPFEDSA-N 2 0 336.907 4.200 20 30 EIEDRP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946940 1056834057 /nfs/dbraw/zinc/83/40/57/1056834057.db2.gz GJDMHGMPPDYVQR-GOSISDBHSA-N 2 0 333.479 4.362 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C1 ZINC000177685235 1021439967 /nfs/dbraw/zinc/43/99/67/1021439967.db2.gz BGAREFYBNBSMHR-MRXNPFEDSA-N 2 0 339.508 4.141 20 30 EIEDRP C=CCN1CCC([NH2+][C@@H](C)c2ccc(OCC(=C)Cl)cc2)CC1 ZINC000177914102 1021807532 /nfs/dbraw/zinc/80/75/32/1021807532.db2.gz KJIKWJFGKDQIAI-INIZCTEOSA-N 2 0 334.891 4.119 20 30 EIEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487364975 1024592051 /nfs/dbraw/zinc/59/20/51/1024592051.db2.gz HSCQLRCHWFCZSI-UHFFFAOYSA-N 2 0 341.543 4.432 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187724032 1026300369 /nfs/dbraw/zinc/30/03/69/1026300369.db2.gz CFYGOXWLAKNLBE-GOSISDBHSA-N 2 0 348.494 4.253 20 30 EIEDRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745624 1027221898 /nfs/dbraw/zinc/22/18/98/1027221898.db2.gz RRWSUBDIQYAGIS-VGSWGCGISA-N 2 0 333.479 4.360 20 30 EIEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001167659895 1028260333 /nfs/dbraw/zinc/26/03/33/1028260333.db2.gz WOSVBGHPHIXOPA-LJQANCHMSA-N 2 0 339.527 4.343 20 30 EIEDRP C=C(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000447544153 1030147455 /nfs/dbraw/zinc/14/74/55/1030147455.db2.gz NVRYMVHNZXHPOQ-WBDAEOGXSA-N 2 0 332.491 4.485 20 30 EIEDRP CN(Cc1ccccc1)CC(C)(C)[NH2+]CCCCC1(C#N)CCC1 ZINC001168207555 1031264968 /nfs/dbraw/zinc/26/49/68/1031264968.db2.gz BEPPQLNKRLSHRE-UHFFFAOYSA-N 2 0 327.516 4.351 20 30 EIEDRP CC1CCC([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168206467 1031272111 /nfs/dbraw/zinc/27/21/11/1031272111.db2.gz USKKUXUFZSEYNW-BXQDZUEOSA-N 2 0 325.500 4.209 20 30 EIEDRP CC1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)CC1 ZINC000449077202 1031432931 /nfs/dbraw/zinc/43/29/31/1031432931.db2.gz YBTYMJNTHZZUNL-UHFFFAOYSA-N 2 0 339.527 4.481 20 30 EIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512647856 1033605759 /nfs/dbraw/zinc/60/57/59/1033605759.db2.gz KAPAIKHSPQRVBW-MRXNPFEDSA-N 2 0 339.458 4.390 20 30 EIEDRP C=CCC1([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000668551706 1036276464 /nfs/dbraw/zinc/27/64/64/1036276464.db2.gz UTJSRNDITGCENT-UHFFFAOYSA-N 2 0 336.564 4.381 20 30 EIEDRP N#C[C@@H]1CC[C@H]([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000602860296 1036646897 /nfs/dbraw/zinc/64/68/97/1036646897.db2.gz ASNKMIBENDOMIV-RTWAWAEBSA-N 2 0 337.511 4.057 20 30 EIEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423191065 1038045379 /nfs/dbraw/zinc/04/53/79/1038045379.db2.gz SKKSYVWTZYHDBC-KJXAQDMKSA-N 2 0 348.490 4.019 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423508575 1038256733 /nfs/dbraw/zinc/25/67/33/1038256733.db2.gz KVSVEHUEZXNFKW-FGZHOGPDSA-N 2 0 333.479 4.396 20 30 EIEDRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594926132 1038428977 /nfs/dbraw/zinc/42/89/77/1038428977.db2.gz SJFPWLZOSZPOEE-KDURUIRLSA-N 2 0 339.527 4.089 20 30 EIEDRP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)c1 ZINC000594925499 1038430219 /nfs/dbraw/zinc/43/02/19/1038430219.db2.gz NBHMNGYJSSJLQH-UHFFFAOYSA-N 2 0 347.506 4.373 20 30 EIEDRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594939654 1038499426 /nfs/dbraw/zinc/49/94/26/1038499426.db2.gz OLTOLYROEPEBFB-UHFFFAOYSA-N 2 0 339.527 4.089 20 30 EIEDRP C[C@H]([NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000553399546 1040196774 /nfs/dbraw/zinc/19/67/74/1040196774.db2.gz WIMNMJTWEILWNT-FHWLQOOXSA-N 2 0 347.506 4.365 20 30 EIEDRP CC(C)(CCC#N)C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898523125 1040978232 /nfs/dbraw/zinc/97/82/32/1040978232.db2.gz ZRVOSOTXAWEVMK-HKBOAZHASA-N 2 0 339.527 4.207 20 30 EIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271942054 1042534588 /nfs/dbraw/zinc/53/45/88/1042534588.db2.gz OZJFIWAOQUHTIH-INIZCTEOSA-N 2 0 339.458 4.390 20 30 EIEDRP N#Cc1ccccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000311458304 1043284290 /nfs/dbraw/zinc/28/42/90/1043284290.db2.gz LETMPNZRHOVBLK-UHFFFAOYSA-N 2 0 345.490 4.046 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000442899242 1043889685 /nfs/dbraw/zinc/88/96/85/1043889685.db2.gz PWLHUDVTUHJNSC-GOSISDBHSA-N 2 0 327.516 4.453 20 30 EIEDRP C[C@H]1CC([NH2+][C@H]2CC[C@@H](C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014933 1043934073 /nfs/dbraw/zinc/93/40/73/1043934073.db2.gz NSWAWDDLTRDJCU-CGBFIWBNSA-N 2 0 325.500 4.100 20 30 EIEDRP C[C@H]1CC([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168014935 1043936075 /nfs/dbraw/zinc/93/60/75/1043936075.db2.gz NSWAWDDLTRDJCU-JPLJXNOCSA-N 2 0 325.500 4.100 20 30 EIEDRP CCC1(C[NH2+]Cc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000611085095 1045251342 /nfs/dbraw/zinc/25/13/42/1045251342.db2.gz BCKXONWKIOBVSD-UHFFFAOYSA-N 2 0 347.506 4.340 20 30 EIEDRP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000272704111 1045808527 /nfs/dbraw/zinc/80/85/27/1045808527.db2.gz TVEABYPYRCTFKZ-MPGHIAIKSA-N 2 0 329.463 4.001 20 30 EIEDRP C=CCCCCC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000793537630 1046276787 /nfs/dbraw/zinc/27/67/87/1046276787.db2.gz XWCWUHWQLOIBOH-HXUWFJFHSA-N 2 0 335.580 4.051 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000809605928 1048414254 /nfs/dbraw/zinc/41/42/54/1048414254.db2.gz JTYMYBXWZRUAMX-LJQANCHMSA-N 2 0 332.491 4.190 20 30 EIEDRP [NH2+]=C(Nc1ccc([C@H]2CCC[NH2+]2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184425 1048673843 /nfs/dbraw/zinc/67/38/43/1048673843.db2.gz KEFWUEIFEBEATA-HXUWFJFHSA-N 2 0 331.419 4.007 20 30 EIEDRP C[C@@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715702 1049703761 /nfs/dbraw/zinc/70/37/61/1049703761.db2.gz XQUJAANLTBSXSE-BHVFFLMSSA-N 2 0 345.490 4.262 20 30 EIEDRP C#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172074783 1049844127 /nfs/dbraw/zinc/84/41/27/1049844127.db2.gz XUXRRQIHGIBMSH-JOZNFPNDSA-N 2 0 344.502 4.343 20 30 EIEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172300125 1049882932 /nfs/dbraw/zinc/88/29/32/1049882932.db2.gz RDBSMIXBBIWCAE-VDGAXYAQSA-N 2 0 327.516 4.107 20 30 EIEDRP C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369373 1049897116 /nfs/dbraw/zinc/89/71/16/1049897116.db2.gz QNGNNMJUICONHF-MPMRWZLSSA-N 2 0 339.527 4.455 20 30 EIEDRP C[C@H](CCCC#N)[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172493862 1049921794 /nfs/dbraw/zinc/92/17/94/1049921794.db2.gz WDTOAHIKXJLJKP-ATZDWAIDSA-N 2 0 333.907 4.494 20 30 EIEDRP C[C@@H](CCCC#N)[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001172496495 1049921946 /nfs/dbraw/zinc/92/19/46/1049921946.db2.gz NAVTXZMJALPLAJ-HKUYNNGSSA-N 2 0 329.488 4.038 20 30 EIEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H](C)Cc1c(F)cccc1Cl ZINC001172847343 1050186545 /nfs/dbraw/zinc/18/65/45/1050186545.db2.gz CQDGTZOUSOTXAZ-ZDUSSCGKSA-N 2 0 347.865 4.077 20 30 EIEDRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1cccc(C#N)c1 ZINC000181576880 1050219154 /nfs/dbraw/zinc/21/91/54/1050219154.db2.gz DWRSJTFIDFJLMZ-GOSISDBHSA-N 2 0 333.479 4.121 20 30 EIEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(C#N)c1 ZINC000182066020 1050453751 /nfs/dbraw/zinc/45/37/51/1050453751.db2.gz NHBATYJKUIZECV-MDMXATFFSA-N 2 0 325.500 4.252 20 30 EIEDRP CC1(C#N)CCC([N@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591763 1050495190 /nfs/dbraw/zinc/49/51/90/1050495190.db2.gz XYDWKAFJNBCZES-GOHCJOFJSA-N 2 0 343.490 4.370 20 30 EIEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001173590684 1050495417 /nfs/dbraw/zinc/49/54/17/1050495417.db2.gz FMBLKWWJSRLCDC-UHFFFAOYSA-N 2 0 331.548 4.341 20 30 EIEDRP CC1(C#N)CCC([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001173595058 1050497705 /nfs/dbraw/zinc/49/77/05/1050497705.db2.gz QVNXUPYZLYJBBI-UHFFFAOYSA-N 2 0 341.499 4.040 20 30 EIEDRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807477 1050535591 /nfs/dbraw/zinc/53/55/91/1050535591.db2.gz ZWZBAFFLQLBFPE-NPFVIJTESA-N 2 0 337.511 4.178 20 30 EIEDRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cc(C#N)ccc32)CC1 ZINC000618807479 1050535844 /nfs/dbraw/zinc/53/58/44/1050535844.db2.gz ZWZBAFFLQLBFPE-XGRCMKMKSA-N 2 0 337.511 4.178 20 30 EIEDRP C=CCOc1ccc(C[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)cc1Cl ZINC001199608027 1054431620 /nfs/dbraw/zinc/43/16/20/1054431620.db2.gz AYDXNNCNGAJODQ-SFHVURJKSA-N 2 0 347.890 4.306 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC001167425460 1022323809 /nfs/dbraw/zinc/32/38/09/1022323809.db2.gz RCMAXJQREMJCGX-WOJBJXKFSA-N 2 0 331.548 4.437 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289492032 1024336332 /nfs/dbraw/zinc/33/63/32/1024336332.db2.gz GIEMPYUFYFDREP-HXUWFJFHSA-N 2 0 327.516 4.208 20 30 EIEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000444689964 1027973325 /nfs/dbraw/zinc/97/33/25/1027973325.db2.gz PZEFVTPGFPTRCM-KXTWHKPSSA-N 2 0 341.543 4.453 20 30 EIEDRP CC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)cc1 ZINC000278202315 1028502569 /nfs/dbraw/zinc/50/25/69/1028502569.db2.gz GSSRBEJNEDNXJX-JOCHJYFZSA-N 2 0 333.479 4.395 20 30 EIEDRP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1C#N ZINC000443990204 1028710013 /nfs/dbraw/zinc/71/00/13/1028710013.db2.gz SHSQTJAMPRJRJF-UHFFFAOYSA-N 2 0 347.506 4.388 20 30 EIEDRP CCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000447589206 1030192101 /nfs/dbraw/zinc/19/21/01/1030192101.db2.gz XAHJPGYGITUPQY-NHCUHLMSSA-N 2 0 339.527 4.351 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082171 1031438267 /nfs/dbraw/zinc/43/82/67/1031438267.db2.gz LFIWNLVSZMVLFU-OSFYOIPJSA-N 2 0 339.527 4.481 20 30 EIEDRP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C[N@@H+]1Cc1ccccc1 ZINC000513493848 1034985962 /nfs/dbraw/zinc/98/59/62/1034985962.db2.gz CTZFNFWVWBRLER-FUHWJXTLSA-N 2 0 339.508 4.010 20 30 EIEDRP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323086 1035822463 /nfs/dbraw/zinc/82/24/63/1035822463.db2.gz RPSOHXWHKCXCFN-JTHBVZDNSA-N 2 0 345.490 4.141 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000589300649 1036723430 /nfs/dbraw/zinc/72/34/30/1036723430.db2.gz WCSIRDVCNIAGQQ-SXSPYAJSSA-N 2 0 345.490 4.073 20 30 EIEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000589336966 1036738810 /nfs/dbraw/zinc/73/88/10/1036738810.db2.gz PIBPUFATLGATBO-NFBKMPQASA-N 2 0 345.490 4.047 20 30 EIEDRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000271820575 1037023443 /nfs/dbraw/zinc/02/34/43/1037023443.db2.gz CEJDROOUXHTVPJ-IBGZPJMESA-N 2 0 343.515 4.286 20 30 EIEDRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594926133 1038431403 /nfs/dbraw/zinc/43/14/03/1038431403.db2.gz SJFPWLZOSZPOEE-OALUTQOASA-N 2 0 339.527 4.089 20 30 EIEDRP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540708469 1041607697 /nfs/dbraw/zinc/60/76/97/1041607697.db2.gz WVHUJVNJPJGBAL-ZACQAIPSSA-N 2 0 331.479 4.106 20 30 EIEDRP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000464770627 1042149834 /nfs/dbraw/zinc/14/98/34/1042149834.db2.gz BQQWDKYNJPYEQP-FQEVSTJZSA-N 2 0 347.506 4.389 20 30 EIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271916386 1042519262 /nfs/dbraw/zinc/51/92/62/1042519262.db2.gz GNJRZBJSXROUIG-MRXNPFEDSA-N 2 0 339.458 4.390 20 30 EIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000271942057 1042538588 /nfs/dbraw/zinc/53/85/88/1042538588.db2.gz OZJFIWAOQUHTIH-MRXNPFEDSA-N 2 0 339.458 4.390 20 30 EIEDRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168006948 1043010564 /nfs/dbraw/zinc/01/05/64/1043010564.db2.gz PSTVPPMDGOVSCM-OPMZPASUSA-N 2 0 333.479 4.089 20 30 EIEDRP C=C(C)CN1CCC([NH2+][C@H](C)CCc2ccc(Cl)s2)CC1 ZINC000152945061 1043029049 /nfs/dbraw/zinc/02/90/49/1043029049.db2.gz QHYYLUWHLMQQOD-CQSZACIVSA-N 2 0 326.937 4.353 20 30 EIEDRP C[N@H+](Cc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCCC1 ZINC000442706202 1043813795 /nfs/dbraw/zinc/81/37/95/1043813795.db2.gz CQVLWYHNJYUMHH-FXAWDEMLSA-N 2 0 325.500 4.233 20 30 EIEDRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442713893 1043815793 /nfs/dbraw/zinc/81/57/93/1043815793.db2.gz JARWLONGWFWNMW-NQIIRXRSSA-N 2 0 333.479 4.197 20 30 EIEDRP CC[N@H+](CCC1CC[NH+]([C@H](C)c2cccc(C#N)c2)CC1)CC1CC1 ZINC000442893336 1043886549 /nfs/dbraw/zinc/88/65/49/1043886549.db2.gz GGFCWHBGACPOJN-GOSISDBHSA-N 2 0 339.527 4.453 20 30 EIEDRP C#Cc1cccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)c1 ZINC001168019155 1044338732 /nfs/dbraw/zinc/33/87/32/1044338732.db2.gz GXJFUHYOFPBQNU-RTBURBONSA-N 2 0 332.491 4.199 20 30 EIEDRP C#Cc1ccc(C[NH2+]C2C[C@@H](C)[NH+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC001168021587 1044443834 /nfs/dbraw/zinc/44/38/34/1044443834.db2.gz QKHOVNWRVYSUSQ-RTBURBONSA-N 2 0 332.491 4.199 20 30 EIEDRP N#CC1(c2ccccc2)CCC([N@H+](CCC[NH3+])C2CCCCC2)CC1 ZINC001170358961 1046013956 /nfs/dbraw/zinc/01/39/56/1046013956.db2.gz JFTWHCWAOCYESB-UHFFFAOYSA-N 2 0 339.527 4.374 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000809605773 1048412861 /nfs/dbraw/zinc/41/28/61/1048412861.db2.gz IIMGKHYHOMQSEH-LJQANCHMSA-N 2 0 332.491 4.332 20 30 EIEDRP C[N@@H+]1CC[C@@H](c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc2)C1 ZINC001171185387 1048682243 /nfs/dbraw/zinc/68/22/43/1048682243.db2.gz ITWWCZPCRHIUPB-LJQANCHMSA-N 2 0 345.446 4.002 20 30 EIEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC000810213808 1048682279 /nfs/dbraw/zinc/68/22/79/1048682279.db2.gz IBCWFYVFCNAMRR-JOCHJYFZSA-N 2 0 337.511 4.180 20 30 EIEDRP CC1(C)C[C@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972302 1049834519 /nfs/dbraw/zinc/83/45/19/1049834519.db2.gz PKLHMTBZQHSDMI-JOCHJYFZSA-N 2 0 347.506 4.134 20 30 EIEDRP C#Cc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171983005 1049838940 /nfs/dbraw/zinc/83/89/40/1049838940.db2.gz LVJSDHGWZQAJHC-JOCHJYFZSA-N 2 0 332.491 4.201 20 30 EIEDRP N#CC[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075027 1049844449 /nfs/dbraw/zinc/84/44/49/1049844449.db2.gz NLPUCYDBKZPCRR-KJJMTIBFSA-N 2 0 337.511 4.198 20 30 EIEDRP N#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172073563 1049844761 /nfs/dbraw/zinc/84/47/61/1049844761.db2.gz AMJQSMAJCPTKET-PSWRPDDJSA-N 2 0 337.511 4.198 20 30 EIEDRP C[C@@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369506 1049896923 /nfs/dbraw/zinc/89/69/23/1049896923.db2.gz RRLYXQMCIILEIK-IUGIXFBWSA-N 2 0 339.527 4.455 20 30 EIEDRP C[NH+](C)C1CCN(c2ccc(NC3CCC(C)(C#N)CC3)cc2)CC1 ZINC000824066782 1049897340 /nfs/dbraw/zinc/89/73/40/1049897340.db2.gz WFXCDEFCMDTGEU-UHFFFAOYSA-N 2 0 340.515 4.101 20 30 EIEDRP C[C@H](CCCC#N)[NH+]1CCC2(CC[C@@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001172496497 1049921868 /nfs/dbraw/zinc/92/18/68/1049921868.db2.gz NAVTXZMJALPLAJ-MJGOQNOKSA-N 2 0 329.488 4.038 20 30 EIEDRP CCCCCCC[C@H](CCC)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172502592 1049923112 /nfs/dbraw/zinc/92/31/12/1049923112.db2.gz RFIVVMUURJMZQZ-IBGZPJMESA-N 2 0 325.585 4.131 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248859622 1050080741 /nfs/dbraw/zinc/08/07/41/1050080741.db2.gz PPRCWTFKJJPZNS-LQWHRVPQSA-N 2 0 325.500 4.233 20 30 EIEDRP CC[NH+](CC)C1CCC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001173108138 1050308170 /nfs/dbraw/zinc/30/81/70/1050308170.db2.gz FILQLDONNKHBMA-UHFFFAOYSA-N 2 0 339.527 4.197 20 30 EIEDRP Cc1cc(N2CC[NH+](C3CCC(CC#N)CC3)CC2)c2ccccc2[nH+]1 ZINC001173331316 1050422363 /nfs/dbraw/zinc/42/23/63/1050422363.db2.gz ODMHZAXOICJGFS-UHFFFAOYSA-N 2 0 348.494 4.138 20 30 EIEDRP C[N@H+](Cc1ccccc1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173339449 1050427363 /nfs/dbraw/zinc/42/73/63/1050427363.db2.gz PCOLMNPNLZRGHI-UHFFFAOYSA-N 2 0 325.500 4.055 20 30 EIEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000182065985 1050453775 /nfs/dbraw/zinc/45/37/75/1050453775.db2.gz SNLZVEJUTLRQSJ-MDMXATFFSA-N 2 0 325.500 4.252 20 30 EIEDRP C#CC[C@H]([NH2+]CCC[NH2+][C@@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775403311 1051256902 /nfs/dbraw/zinc/25/69/02/1051256902.db2.gz FRNXWTSSRPCCSD-GOTSBHOMSA-N 2 0 330.475 4.085 20 30 EIEDRP N#CC1(CCCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC1 ZINC001190825762 1051286015 /nfs/dbraw/zinc/28/60/15/1051286015.db2.gz BEWOCXFUTFNRSY-FQEVSTJZSA-N 2 0 331.548 4.439 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1)CC(C)C ZINC001192489379 1051755339 /nfs/dbraw/zinc/75/53/39/1051755339.db2.gz DUWOKYDCHVTQGB-UHFFFAOYSA-N 2 0 345.506 4.277 20 30 EIEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000764960025 1053397534 /nfs/dbraw/zinc/39/75/34/1053397534.db2.gz BOXVAJJCVFUTLH-MOPGFXCFSA-N 2 0 328.500 4.004 20 30 EIEDRP CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000386042719 1053575033 /nfs/dbraw/zinc/57/50/33/1053575033.db2.gz ZZDBJQRFTYVLPH-SFTDATJTSA-N 2 0 339.527 4.160 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718299 1053577865 /nfs/dbraw/zinc/57/78/65/1053577865.db2.gz XXCMPOVCTZSFEL-UHFFFAOYSA-N 2 0 327.516 4.208 20 30 EIEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001196936787 1053809026 /nfs/dbraw/zinc/80/90/26/1053809026.db2.gz URFIWZIAIZBTQV-RXVVDRJESA-N 2 0 325.500 4.206 20 30 EIEDRP CCCCCCCC[N@@H+]1CC[C@@]2(C[NH+](CC3CC3)C[C@H]2COC)C1 ZINC001201815146 1054915756 /nfs/dbraw/zinc/91/57/56/1054915756.db2.gz XMFUWCUJVKOSHF-SFTDATJTSA-N 2 0 336.564 4.027 20 30 EIEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000766409450 1060339439 /nfs/dbraw/zinc/33/94/39/1060339439.db2.gz PLUZLDSKWUMWRH-SFHVURJKSA-N 2 0 340.511 4.146 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(C#N)c3)cc2)C1 ZINC000067668313 524096105 /nfs/dbraw/zinc/09/61/05/524096105.db2.gz NZJSPIPUYVLZHP-SFHVURJKSA-N 2 0 333.479 4.080 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000067668291 526252232 /nfs/dbraw/zinc/25/22/32/526252232.db2.gz QPYWJLCIMSKXBH-SFHVURJKSA-N 2 0 333.479 4.222 20 30 EIEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000471246053 1020218848 /nfs/dbraw/zinc/21/88/48/1020218848.db2.gz XPHPLOIKXYBXNF-JPYJTQIMSA-N 2 0 347.506 4.387 20 30 EIEDRP C[NH+](C)CCCC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000123644059 1020833538 /nfs/dbraw/zinc/83/35/38/1020833538.db2.gz MEMMKTLILMTXLX-UHFFFAOYSA-N 2 0 327.516 4.042 20 30 EIEDRP C[C@H](NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444914 1022822619 /nfs/dbraw/zinc/82/26/19/1022822619.db2.gz YVRNDROJHKWWTN-BQFCYCMXSA-N 2 0 339.508 4.181 20 30 EIEDRP C=CCN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)CC1 ZINC000177905584 1022827772 /nfs/dbraw/zinc/82/77/72/1022827772.db2.gz QBLLOSRHCUTOSN-KRWDZBQOSA-N 2 0 345.506 4.117 20 30 EIEDRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065499 1022849193 /nfs/dbraw/zinc/84/91/93/1022849193.db2.gz XZENSHBJDREWAS-WIYYLYMNSA-N 2 0 333.479 4.121 20 30 EIEDRP CC1CC[NH+](CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000507570434 1026835364 /nfs/dbraw/zinc/83/53/64/1026835364.db2.gz UGNADDMYXXNRLX-UHFFFAOYSA-N 2 0 339.527 4.102 20 30 EIEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001167659894 1028259011 /nfs/dbraw/zinc/25/90/11/1028259011.db2.gz WOSVBGHPHIXOPA-IBGZPJMESA-N 2 0 339.527 4.343 20 30 EIEDRP CC1CCC([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001168206423 1031270679 /nfs/dbraw/zinc/27/06/79/1031270679.db2.gz SOCHJKGPZCBAMY-BXQDZUEOSA-N 2 0 325.500 4.209 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000531910991 1031807007 /nfs/dbraw/zinc/80/70/07/1031807007.db2.gz ZHDVWGQQQRFTRT-QGZVFWFLSA-N 2 0 343.490 4.174 20 30 EIEDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000512649102 1033605697 /nfs/dbraw/zinc/60/56/97/1033605697.db2.gz QIGVTVQKBPKEHF-MRXNPFEDSA-N 2 0 337.442 4.144 20 30 EIEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000595055745 1035537358 /nfs/dbraw/zinc/53/73/58/1035537358.db2.gz INYNMEWJHHJHTE-UHFFFAOYSA-N 2 0 347.506 4.134 20 30 EIEDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@@H]21 ZINC000485323080 1035823330 /nfs/dbraw/zinc/82/33/30/1035823330.db2.gz RPSOHXWHKCXCFN-GGAORHGYSA-N 2 0 345.490 4.141 20 30 EIEDRP C[C@H](CCC#N)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596592269 1035910223 /nfs/dbraw/zinc/91/02/23/1035910223.db2.gz LVELMNHANVKZRE-WIYYLYMNSA-N 2 0 339.527 4.301 20 30 EIEDRP N#CC1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000602544405 1036489722 /nfs/dbraw/zinc/48/97/22/1036489722.db2.gz AUHREICXQWLGHK-UHFFFAOYSA-N 2 0 325.500 4.235 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000589300647 1036724094 /nfs/dbraw/zinc/72/40/94/1036724094.db2.gz WCSIRDVCNIAGQQ-LEOXJPRUSA-N 2 0 345.490 4.073 20 30 EIEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000423020217 1037901030 /nfs/dbraw/zinc/90/10/30/1037901030.db2.gz ZHYYZTOJEKNCDV-RJGXRXQPSA-N 2 0 345.490 4.236 20 30 EIEDRP CC(C)(C#N)c1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)cc1 ZINC000594502772 1038348442 /nfs/dbraw/zinc/34/84/42/1038348442.db2.gz RLPKOJOKAIJRKK-UHFFFAOYSA-N 2 0 327.516 4.234 20 30 EIEDRP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1Cl ZINC000537636225 1039361745 /nfs/dbraw/zinc/36/17/45/1039361745.db2.gz SSEUCCSZCZVAOR-CRAIPNDOSA-N 2 0 336.907 4.067 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](CC#Cc2ccc(F)cc2)CC1)CC1CC1 ZINC000540049640 1041053689 /nfs/dbraw/zinc/05/36/89/1041053689.db2.gz NMTYMALRHMFZHA-UHFFFAOYSA-N 2 0 342.502 4.011 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(CC#N)cc2)CC1)CC(C)C ZINC000542252650 1042355132 /nfs/dbraw/zinc/35/51/32/1042355132.db2.gz DZRGOOIEWKWPHM-UHFFFAOYSA-N 2 0 341.543 4.333 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]CC(C)(C)CCC#N)cc2)C1 ZINC000174269920 1044246519 /nfs/dbraw/zinc/24/65/19/1044246519.db2.gz QYRUVMKYESDUBI-SFHVURJKSA-N 2 0 327.516 4.338 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390638 1045296445 /nfs/dbraw/zinc/29/64/45/1045296445.db2.gz MJBZUZNGBVEZMU-UTKZUKDTSA-N 2 0 325.500 4.180 20 30 EIEDRP CCCC[N@H+](C)CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC001170358886 1046013890 /nfs/dbraw/zinc/01/38/90/1046013890.db2.gz CGSHLSFYAAGOBA-UHFFFAOYSA-N 2 0 327.516 4.102 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2cccc(C#N)c2F)CC1)CC1CC1 ZINC000537046227 1046915472 /nfs/dbraw/zinc/91/54/72/1046915472.db2.gz XQWYXLAYIOSHDR-UHFFFAOYSA-N 2 0 343.490 4.031 20 30 EIEDRP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141154 1048342371 /nfs/dbraw/zinc/34/23/71/1048342371.db2.gz ZHNGJIZRQIZRED-OCYFJXFZSA-N 2 0 345.490 4.404 20 30 EIEDRP [NH2+]=C(Nc1ccc([C@@H]2CCC[NH2+]2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171184423 1048674174 /nfs/dbraw/zinc/67/41/74/1048674174.db2.gz KEFWUEIFEBEATA-FQEVSTJZSA-N 2 0 331.419 4.007 20 30 EIEDRP C#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001144580713 1048730817 /nfs/dbraw/zinc/73/08/17/1048730817.db2.gz FXKJMWLYSRTPFZ-RPWUZVMVSA-N 2 0 344.502 4.012 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986680 1049079221 /nfs/dbraw/zinc/07/92/21/1049079221.db2.gz STCUQCIUYVGIKB-WBVHZDCISA-N 2 0 334.891 4.143 20 30 EIEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609822825 1049344962 /nfs/dbraw/zinc/34/49/62/1049344962.db2.gz GEVXADKDYQDBBI-SFHVURJKSA-N 2 0 325.500 4.207 20 30 EIEDRP C[NH+]1C(C)(C)CC(NC(=[NH2+])c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC001171619870 1049766737 /nfs/dbraw/zinc/76/67/37/1049766737.db2.gz TYQIDSRYNNOIRU-UHFFFAOYSA-N 2 0 341.421 4.062 20 30 EIEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001172300255 1049883023 /nfs/dbraw/zinc/88/30/23/1049883023.db2.gz SSOZCEKPUVUOQW-GOSISDBHSA-N 2 0 339.527 4.124 20 30 EIEDRP CCCCCCC[C@@H](CC)[NH2+][C@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172351846 1049892281 /nfs/dbraw/zinc/89/22/81/1049892281.db2.gz WRZXGHZUSZAOSA-SJORKVTESA-N 2 0 343.556 4.305 20 30 EIEDRP C[C@@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369505 1049897077 /nfs/dbraw/zinc/89/70/77/1049897077.db2.gz RRLYXQMCIILEIK-FXJJGOGXSA-N 2 0 339.527 4.455 20 30 EIEDRP C[C@@H](CCCC#N)[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001172494936 1049922257 /nfs/dbraw/zinc/92/22/57/1049922257.db2.gz KOMPSPFOCOSRGV-KRWDZBQOSA-N 2 0 331.529 4.118 20 30 EIEDRP CC[NH+]1CCC(CC2CC[NH+](C3CCC(CC#N)CC3)CC2)CC1 ZINC001173336644 1050425201 /nfs/dbraw/zinc/42/52/01/1050425201.db2.gz HNZDQYKNHBOPGU-UHFFFAOYSA-N 2 0 331.548 4.293 20 30 EIEDRP CC[N@H+](Cc1ccccc1)C1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173340296 1050431098 /nfs/dbraw/zinc/43/10/98/1050431098.db2.gz ZPKNBLHWDOUZBZ-UHFFFAOYSA-N 2 0 339.527 4.445 20 30 EIEDRP Cc1ccc(NC(=[NH2+])NCc2ccccc2C[N@@H+](C)C(C)C)cc1C ZINC000303908558 1027697491 /nfs/dbraw/zinc/69/74/91/1027697491.db2.gz XPPZIDSQAGXIAW-UHFFFAOYSA-N 2 0 338.499 4.070 20 30 EIEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCCCC(C)(C)C#N ZINC000444689965 1027975818 /nfs/dbraw/zinc/97/58/18/1027975818.db2.gz PZEFVTPGFPTRCM-OALUTQOASA-N 2 0 341.543 4.453 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCCC[NH+]1CCCC1 ZINC000340475757 1029301641 /nfs/dbraw/zinc/30/16/41/1029301641.db2.gz NKQGFHRHLCMBAT-OAQYLSRUSA-N 2 0 325.500 4.181 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000531654919 1031449853 /nfs/dbraw/zinc/44/98/53/1031449853.db2.gz VGOBXVVUNJXTQM-SFHVURJKSA-N 2 0 325.500 4.035 20 30 EIEDRP CC1(C#N)CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000449332161 1031629806 /nfs/dbraw/zinc/62/98/06/1031629806.db2.gz BXVGWEDTUWBAKS-ITAUSPCMSA-N 2 0 339.527 4.351 20 30 EIEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453236515 1031756112 /nfs/dbraw/zinc/75/61/12/1031756112.db2.gz UQOZUYLEHKEFID-NJDAHSKKSA-N 2 0 339.527 4.349 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C#N)cc2C)CC1)CC1CC1 ZINC000614403115 1034549846 /nfs/dbraw/zinc/54/98/46/1034549846.db2.gz DXNGOGZJNNBVLV-UHFFFAOYSA-N 2 0 339.527 4.201 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCC(C#N)CC3)cc2)C1 ZINC000602513902 1036488908 /nfs/dbraw/zinc/48/89/08/1036488908.db2.gz GKEOLYBNGNGZBF-MPQSDHOMSA-N 2 0 325.500 4.090 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cc1 ZINC000613255140 1036807419 /nfs/dbraw/zinc/80/74/19/1036807419.db2.gz NUXQBEYDAFACJA-DUXKGJEZSA-N 2 0 325.500 4.233 20 30 EIEDRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C#N)s2)CC1 ZINC000421888679 1036834612 /nfs/dbraw/zinc/83/46/12/1036834612.db2.gz UEOWURBDVZEZON-UHFFFAOYSA-N 2 0 339.508 4.153 20 30 EIEDRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(OCC#N)cc1 ZINC000271820578 1037023939 /nfs/dbraw/zinc/02/39/39/1037023939.db2.gz CEJDROOUXHTVPJ-LJQANCHMSA-N 2 0 343.515 4.286 20 30 EIEDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423032859 1037916096 /nfs/dbraw/zinc/91/60/96/1037916096.db2.gz NFWLXPFAUKYEQF-VZZYARLZSA-N 2 0 331.463 4.159 20 30 EIEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594493969 1038342848 /nfs/dbraw/zinc/34/28/48/1038342848.db2.gz COXASLAHKLEMOA-GOSISDBHSA-N 2 0 327.516 4.089 20 30 EIEDRP N#CC1(c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cc2)CC1 ZINC000594915996 1038426425 /nfs/dbraw/zinc/42/64/25/1038426425.db2.gz ZOSJRJJZIZAJBZ-UHFFFAOYSA-N 2 0 345.490 4.127 20 30 EIEDRP C=CCOc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1Cl ZINC000414816023 1039098255 /nfs/dbraw/zinc/09/82/55/1039098255.db2.gz YWZNYSFOZJEFDB-CQSZACIVSA-N 2 0 330.859 4.214 20 30 EIEDRP CC1(C)CCC(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000539509565 1040503092 /nfs/dbraw/zinc/50/30/92/1040503092.db2.gz XFGBPFAHJFTJPL-UHFFFAOYSA-N 2 0 339.527 4.329 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000483963610 1041087699 /nfs/dbraw/zinc/08/76/99/1041087699.db2.gz YSGJLJRCCAEDOL-QGZVFWFLSA-N 2 0 343.490 4.174 20 30 EIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000271984506 1042611821 /nfs/dbraw/zinc/61/18/21/1042611821.db2.gz ZUFJFZFJFDZYBG-MRXNPFEDSA-N 2 0 339.458 4.390 20 30 EIEDRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)ccc1C#N ZINC000443984432 1042728892 /nfs/dbraw/zinc/72/88/92/1042728892.db2.gz XOXBNVWPYJAEKL-SFHVURJKSA-N 2 0 347.506 4.388 20 30 EIEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390738 1045296798 /nfs/dbraw/zinc/29/67/98/1045296798.db2.gz RIPKCLOIGFIXEO-UTKZUKDTSA-N 2 0 325.500 4.037 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390636 1045297170 /nfs/dbraw/zinc/29/71/70/1045297170.db2.gz MJBZUZNGBVEZMU-DYESRHJHSA-N 2 0 325.500 4.180 20 30 EIEDRP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1)CC1CC1 ZINC000536738195 1046749259 /nfs/dbraw/zinc/74/92/59/1046749259.db2.gz KYBHRHOOERDELC-SFHVURJKSA-N 2 0 339.527 4.453 20 30 EIEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H]2CCC[C@@H]21 ZINC000556884382 1048099127 /nfs/dbraw/zinc/09/91/27/1048099127.db2.gz CAIMAIVIPKIVBM-VJBWXMMDSA-N 2 0 345.490 4.188 20 30 EIEDRP C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001171196353 1048707057 /nfs/dbraw/zinc/70/70/57/1048707057.db2.gz ZNPKKBGSYDSWCO-SFHVURJKSA-N 2 0 339.527 4.124 20 30 EIEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199237 1048729747 /nfs/dbraw/zinc/72/97/47/1048729747.db2.gz WUIVYAZHLNBNSX-HSQYWUDLSA-N 2 0 339.527 4.251 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817947327 1049063762 /nfs/dbraw/zinc/06/37/62/1049063762.db2.gz CIFPZVIIIMVJQJ-INIZCTEOSA-N 2 0 344.886 4.170 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986675 1049081292 /nfs/dbraw/zinc/08/12/92/1049081292.db2.gz STCUQCIUYVGIKB-NVXWUHKLSA-N 2 0 334.891 4.143 20 30 EIEDRP C[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715709 1049704444 /nfs/dbraw/zinc/70/44/44/1049704444.db2.gz XQUJAANLTBSXSE-BPCBYJRWSA-N 2 0 345.490 4.262 20 30 EIEDRP N#C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172073567 1049843747 /nfs/dbraw/zinc/84/37/47/1049843747.db2.gz AMJQSMAJCPTKET-YJMBLLCNSA-N 2 0 337.511 4.198 20 30 EIEDRP C[C@H](CCCC#N)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001172489018 1049920766 /nfs/dbraw/zinc/92/07/66/1049920766.db2.gz YCGUULMEVOVORW-MRXNPFEDSA-N 2 0 333.907 4.224 20 30 EIEDRP C=CCOC1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 ZINC001173312933 1050406843 /nfs/dbraw/zinc/40/68/43/1050406843.db2.gz NIDRMLFTTIWVGD-YOLZPYMBSA-N 2 0 342.527 4.143 20 30 EIEDRP N#CCC1CCC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173324449 1050417765 /nfs/dbraw/zinc/41/77/65/1050417765.db2.gz NPHWIEMTNWUPRL-UHFFFAOYSA-N 2 0 339.527 4.351 20 30 EIEDRP N#CCC1CCC([NH+]2CCC([NH3+])(c3ccc(Cl)cc3)CC2)CC1 ZINC001173331663 1050422017 /nfs/dbraw/zinc/42/20/17/1050422017.db2.gz DIIVTZUYDWWBBW-UHFFFAOYSA-N 2 0 331.891 4.062 20 30 EIEDRP C#CC[C@@H]([NH2+]CCC[NH2+][C@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775403310 1051255298 /nfs/dbraw/zinc/25/52/98/1051255298.db2.gz FRNXWTSSRPCCSD-DHIUTWEWSA-N 2 0 330.475 4.085 20 30 EIEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000764960031 1053398091 /nfs/dbraw/zinc/39/80/91/1053398091.db2.gz BOXVAJJCVFUTLH-RBUKOAKNSA-N 2 0 328.500 4.004 20 30 EIEDRP C=CC[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC001199884166 1054491075 /nfs/dbraw/zinc/49/10/75/1054491075.db2.gz ONOYJRTYKJSNBP-NQIIRXRSSA-N 2 0 342.527 4.242 20 30 EIEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000766514432 1060473063 /nfs/dbraw/zinc/47/30/63/1060473063.db2.gz WSLJGSGLUKIXLJ-KMFTYDHNSA-N 2 0 340.511 4.146 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000532165918 1032070309 /nfs/dbraw/zinc/07/03/09/1032070309.db2.gz OTEXVLWWJGKIHK-GOSISDBHSA-N 2 0 325.500 4.035 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C#N)s3)cc2)C1 ZINC000176947693 1020938842 /nfs/dbraw/zinc/93/88/42/1020938842.db2.gz HGJNZBXPGDLDMO-MRXNPFEDSA-N 2 0 339.508 4.141 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cc(C#N)cs3)c2)CC1 ZINC000177696659 1021542358 /nfs/dbraw/zinc/54/23/58/1021542358.db2.gz FENLVXRGPGTMKX-UHFFFAOYSA-N 2 0 339.508 4.141 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cc1 ZINC000613255161 1021835011 /nfs/dbraw/zinc/83/50/11/1021835011.db2.gz NUXQBEYDAFACJA-QMMLZNLJSA-N 2 0 325.500 4.233 20 30 EIEDRP C=CCCCCC[NH+]1CCC2(C[NH+](Cc3scnc3C)C2)CC1 ZINC001279273608 1026264642 /nfs/dbraw/zinc/26/46/42/1026264642.db2.gz VHQVJKJSGUPNNB-UHFFFAOYSA-N 2 0 333.545 4.096 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000343445846 1029263388 /nfs/dbraw/zinc/26/33/88/1029263388.db2.gz NSAIMOPCCFDGRU-MRXNPFEDSA-N 2 0 339.508 4.284 20 30 EIEDRP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)cc1 ZINC000278750081 1029806492 /nfs/dbraw/zinc/80/64/92/1029806492.db2.gz NTXDIIMMLJTUSV-LRQRDZAKSA-N 2 0 325.500 4.252 20 30 EIEDRP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165160 1030861854 /nfs/dbraw/zinc/86/18/54/1030861854.db2.gz PVRVPGYOCRXLFL-SFTDATJTSA-N 2 0 327.516 4.018 20 30 EIEDRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449190869 1031510336 /nfs/dbraw/zinc/51/03/36/1031510336.db2.gz WTQQJWUZFGTRRF-QFHWKZJZSA-N 2 0 339.527 4.205 20 30 EIEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453236513 1031757099 /nfs/dbraw/zinc/75/70/99/1031757099.db2.gz UQOZUYLEHKEFID-HBMCJLEFSA-N 2 0 339.527 4.349 20 30 EIEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453292662 1031810437 /nfs/dbraw/zinc/81/04/37/1031810437.db2.gz OGPIFXUJWUPIFG-RXZUFOQRSA-N 2 0 337.511 4.102 20 30 EIEDRP N#CC1(CC[NH+]2CCC(CCCn3ccnc3)CC2)CCCCC1 ZINC000411499124 1033942105 /nfs/dbraw/zinc/94/21/05/1033942105.db2.gz CODWQMCXQQPHCU-UHFFFAOYSA-N 2 0 328.504 4.239 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000595001580 1035523032 /nfs/dbraw/zinc/52/30/32/1035523032.db2.gz XHYXCHADZALLDE-FQEVSTJZSA-N 2 0 339.527 4.208 20 30 EIEDRP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1Cl ZINC000537636227 1039364470 /nfs/dbraw/zinc/36/44/70/1039364470.db2.gz SSEUCCSZCZVAOR-QAPCUYQASA-N 2 0 336.907 4.067 20 30 EIEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860778 1042205649 /nfs/dbraw/zinc/20/56/49/1042205649.db2.gz ZUUOMNODECWWKM-GHTZIAJQSA-N 2 0 333.479 4.073 20 30 EIEDRP C=CCOc1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cc1 ZINC000065976660 1043520203 /nfs/dbraw/zinc/52/02/03/1043520203.db2.gz VHITWNRSHXVURR-UHFFFAOYSA-N 2 0 338.495 4.381 20 30 EIEDRP C[N@H+](Cc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442706208 1043814426 /nfs/dbraw/zinc/81/44/26/1043814426.db2.gz CQVLWYHNJYUMHH-YLJYHZDGSA-N 2 0 325.500 4.233 20 30 EIEDRP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168014985 1043938399 /nfs/dbraw/zinc/93/83/99/1043938399.db2.gz NSWAWDDLTRDJCU-YWNDLMOBSA-N 2 0 325.500 4.100 20 30 EIEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000272268130 1045025237 /nfs/dbraw/zinc/02/52/37/1045025237.db2.gz XXGGIPPHBXCPSE-NPPFBWRTSA-N 2 0 333.479 4.119 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000611392774 1045299566 /nfs/dbraw/zinc/29/95/66/1045299566.db2.gz LDMVSBYCZHPORT-NRFANRHFSA-N 2 0 325.500 4.181 20 30 EIEDRP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)C1 ZINC001170376166 1046034305 /nfs/dbraw/zinc/03/43/05/1046034305.db2.gz KMPSTSOXJKSDCK-PMJAUZGISA-N 2 0 339.527 4.099 20 30 EIEDRP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@@H](C)C1 ZINC001170376168 1046034593 /nfs/dbraw/zinc/03/45/93/1046034593.db2.gz KMPSTSOXJKSDCK-YOLZPYMBSA-N 2 0 339.527 4.099 20 30 EIEDRP C[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715714 1049704151 /nfs/dbraw/zinc/70/41/51/1049704151.db2.gz XQUJAANLTBSXSE-NWZJSZKRSA-N 2 0 345.490 4.262 20 30 EIEDRP CC1(C)C[C@@H]([NH+]2CCC(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171980075 1049839009 /nfs/dbraw/zinc/83/90/09/1049839009.db2.gz DAUWKHWDTQAFDE-FQEVSTJZSA-N 2 0 325.500 4.055 20 30 EIEDRP N#CCC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172074653 1049844963 /nfs/dbraw/zinc/84/49/63/1049844963.db2.gz JLBFWRCNZLBTHU-KOUNCHBCSA-N 2 0 337.511 4.198 20 30 EIEDRP C#Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172074782 1049845047 /nfs/dbraw/zinc/84/50/47/1049845047.db2.gz XUXRRQIHGIBMSH-BKFWDETESA-N 2 0 344.502 4.343 20 30 EIEDRP N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172065772 1049851979 /nfs/dbraw/zinc/85/19/79/1049851979.db2.gz QMSNOHOZIBLCJL-ZMIPSZNTSA-N 2 0 337.511 4.244 20 30 EIEDRP C[C@@H](CCCC#N)[N@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001172482920 1049910481 /nfs/dbraw/zinc/91/04/81/1049910481.db2.gz AXFSETKGZZBCGX-YFWVXDPYSA-N 2 0 325.500 4.197 20 30 EIEDRP CC[C@@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271415 1050391280 /nfs/dbraw/zinc/39/12/80/1050391280.db2.gz QGDNXDUKCFUTQF-OTNPHJDUSA-N 2 0 325.500 4.209 20 30 EIEDRP C=CCOC1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 ZINC001173312927 1050407052 /nfs/dbraw/zinc/40/70/52/1050407052.db2.gz NIDRMLFTTIWVGD-NTYOPAKOSA-N 2 0 342.527 4.143 20 30 EIEDRP C#CC[C@H]([NH2+]C/C=C/C[NH2+][C@@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775398119 1051212605 /nfs/dbraw/zinc/21/26/05/1051212605.db2.gz FJYMQUSHLNSGRZ-CFHGVRTOSA-N 2 0 342.486 4.251 20 30 EIEDRP C=C(C[NH+]1CCCC1)C(=O)NCCC[PH+](C(C)(C)C)C(C)(C)C ZINC001183092059 1051783460 /nfs/dbraw/zinc/78/34/60/1051783460.db2.gz UCQVOEMUGHPPCW-UHFFFAOYSA-N 2 0 340.492 4.224 20 30 EIEDRP C=CC[C@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC001199884164 1054491132 /nfs/dbraw/zinc/49/11/32/1054491132.db2.gz ONOYJRTYKJSNBP-GHTZIAJQSA-N 2 0 342.527 4.242 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000067668339 524097427 /nfs/dbraw/zinc/09/74/27/524097427.db2.gz PCTVJXDVGGCXGM-SFHVURJKSA-N 2 0 333.479 4.080 20 30 EIEDRP C=CCCCCCCCCN1CCn2c(C[N@@H+](C)C(C)C)cnc2C1 ZINC001209444294 1020354879 /nfs/dbraw/zinc/35/48/79/1020354879.db2.gz OWKLGAAXIOZEDU-UHFFFAOYSA-N 2 0 346.563 4.456 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187689129 1025094825 /nfs/dbraw/zinc/09/48/25/1025094825.db2.gz RIXDLCPGFLEXPG-NQIIRXRSSA-N 2 0 333.479 4.073 20 30 EIEDRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1CCC(C#N)CC1 ZINC000441344287 1027480167 /nfs/dbraw/zinc/48/01/67/1027480167.db2.gz DQKIDTVBQGVIIU-UHFFFAOYSA-N 2 0 327.516 4.064 20 30 EIEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N2C(C)(C)CC([NH3+])CC2(C)C)cc1 ZINC001167627023 1027499542 /nfs/dbraw/zinc/49/95/42/1027499542.db2.gz ZGNUCLGSCASCAI-FQEVSTJZSA-N 2 0 341.543 4.494 20 30 EIEDRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000525248944 1029532743 /nfs/dbraw/zinc/53/27/43/1029532743.db2.gz HSMXJBJWLRJTOS-GOSISDBHSA-N 2 0 333.479 4.395 20 30 EIEDRP C=C(C)CN1CCC([NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000449119780 1031458189 /nfs/dbraw/zinc/45/81/89/1031458189.db2.gz AWKRPZQNYDCANL-UHFFFAOYSA-N 2 0 345.487 4.079 20 30 EIEDRP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000531756798 1031538337 /nfs/dbraw/zinc/53/83/37/1031538337.db2.gz NZGCBHZJVCWYNH-UHFFFAOYSA-N 2 0 327.516 4.040 20 30 EIEDRP C[C@@H]1C[C@@H](CC[NH2+]C2CCC(C)(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000449212737 1031540423 /nfs/dbraw/zinc/54/04/23/1031540423.db2.gz IYXPQGWFUFNMLH-JSFXGIFRSA-N 2 0 339.527 4.349 20 30 EIEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512655623 1033624354 /nfs/dbraw/zinc/62/43/54/1033624354.db2.gz VYVMPGGDPVSONX-MRXNPFEDSA-N 2 0 331.479 4.106 20 30 EIEDRP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)s2)C[N@@H+]1Cc1ccccc1 ZINC000513493849 1034986790 /nfs/dbraw/zinc/98/67/90/1034986790.db2.gz CTZFNFWVWBRLER-SJLPKXTDSA-N 2 0 339.508 4.010 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000614494671 1035237499 /nfs/dbraw/zinc/23/74/99/1035237499.db2.gz AQCDDHZTHNDIPA-GOSISDBHSA-N 2 0 325.500 4.207 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602515955 1036474856 /nfs/dbraw/zinc/47/48/56/1036474856.db2.gz UMAWUXXXKDUECN-MPQSDHOMSA-N 2 0 325.500 4.233 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602515117 1036475304 /nfs/dbraw/zinc/47/53/04/1036475304.db2.gz MXFJJSPPBLSWPE-MPQSDHOMSA-N 2 0 325.500 4.090 20 30 EIEDRP CCC1(C[NH2+]C[C@@H](C)CCC#N)CC[NH+](Cc2ccccc2)CC1 ZINC000602579037 1036509034 /nfs/dbraw/zinc/50/90/34/1036509034.db2.gz YSEUKFOAIKHZIW-IBGZPJMESA-N 2 0 327.516 4.208 20 30 EIEDRP CC(C)(C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000477918079 1039228135 /nfs/dbraw/zinc/22/81/35/1039228135.db2.gz PHLRUKQCKQUVNA-UHFFFAOYSA-N 2 0 339.527 4.102 20 30 EIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1 ZINC000554996772 1043802215 /nfs/dbraw/zinc/80/22/15/1043802215.db2.gz CUHOCJAJXBKDLI-QFIPXVFZSA-N 2 0 333.479 4.177 20 30 EIEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000174451382 1044274667 /nfs/dbraw/zinc/27/46/67/1044274667.db2.gz MIZDSFYCKBAOQU-UHFFFAOYSA-N 2 0 345.446 4.073 20 30 EIEDRP Cc1ccc(C(=[NH2+])NC2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1C ZINC001168032899 1044857932 /nfs/dbraw/zinc/85/79/32/1044857932.db2.gz JAVICRLZIGPAMF-OALUTQOASA-N 2 0 349.522 4.450 20 30 EIEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272268128 1045022057 /nfs/dbraw/zinc/02/20/57/1045022057.db2.gz XXGGIPPHBXCPSE-NJNPRVFISA-N 2 0 333.479 4.119 20 30 EIEDRP CCC1(C[NH2+]Cc2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000611085135 1045250603 /nfs/dbraw/zinc/25/06/03/1045250603.db2.gz JSYUFNSYCNOHPO-UHFFFAOYSA-N 2 0 347.506 4.340 20 30 EIEDRP CC[NH+](CC)C1CC[NH+](C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170387098 1046024934 /nfs/dbraw/zinc/02/49/34/1046024934.db2.gz QEMHLSCQDDWVAR-UHFFFAOYSA-N 2 0 339.527 4.197 20 30 EIEDRP C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCC[C@H]([NH+](C)Cc3cccs3)[C@@H]2C1 ZINC001172494394 1049922058 /nfs/dbraw/zinc/92/20/58/1049922058.db2.gz GPDAYEZDDAKJIA-BWPNAZKDSA-N 2 0 345.556 4.363 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)C1 ZINC000248789112 1050077673 /nfs/dbraw/zinc/07/76/73/1050077673.db2.gz IOTXUULZYLNZMI-UIFIKXQLSA-N 2 0 325.500 4.090 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000248933999 1050084954 /nfs/dbraw/zinc/08/49/54/1050084954.db2.gz YDDSBFUFQGFRSS-OPYAIIAOSA-N 2 0 325.500 4.090 20 30 EIEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@@H](C)Cc1ccc(F)cc1Cl ZINC001172865475 1050175157 /nfs/dbraw/zinc/17/51/57/1050175157.db2.gz MXTFUSNIRZAGLV-ZDUSSCGKSA-N 2 0 347.865 4.077 20 30 EIEDRP C=CCOC1CCC([N@@H+](C)C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001173326190 1050417389 /nfs/dbraw/zinc/41/73/89/1050417389.db2.gz WTQZNFJKQGRIAT-UHFFFAOYSA-N 2 0 334.548 4.229 20 30 EIEDRP CC[N@H+](Cc1ccccc1)C1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173596131 1050497568 /nfs/dbraw/zinc/49/75/68/1050497568.db2.gz KOBNSJJBZHMGAG-UHFFFAOYSA-N 2 0 339.527 4.445 20 30 EIEDRP C#CC[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775398121 1051212708 /nfs/dbraw/zinc/21/27/08/1051212708.db2.gz FJYMQUSHLNSGRZ-ZDCYNKBQSA-N 2 0 342.486 4.251 20 30 EIEDRP C#CC[C@@H]([NH2+]CCC[NH2+][C@@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775403312 1051257383 /nfs/dbraw/zinc/25/73/83/1051257383.db2.gz FRNXWTSSRPCCSD-ZRZAMGCNSA-N 2 0 330.475 4.085 20 30 EIEDRP CC[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000774215673 1051514513 /nfs/dbraw/zinc/51/45/13/1051514513.db2.gz BYPFCGDEASUZFQ-CBNMVNINSA-N 2 0 325.500 4.396 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+]CC(C)(C)CCC#N)c2)CC1 ZINC000174352255 1052564773 /nfs/dbraw/zinc/56/47/73/1052564773.db2.gz UCKCAOKCLNMMSW-UHFFFAOYSA-N 2 0 327.516 4.338 20 30 EIEDRP N#Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cs1 ZINC000921620765 1054110243 /nfs/dbraw/zinc/11/02/43/1054110243.db2.gz LCEKHULKOWOEKG-UHFFFAOYSA-N 2 0 339.508 4.286 20 30 EIEDRP C=CC[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC001199884169 1054491347 /nfs/dbraw/zinc/49/13/47/1054491347.db2.gz ONOYJRTYKJSNBP-WIYYLYMNSA-N 2 0 342.527 4.242 20 30 EIEDRP C[C@H](CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC001200941840 1054597282 /nfs/dbraw/zinc/59/72/82/1054597282.db2.gz KTBPMJIIKVVYIE-LJQANCHMSA-N 2 0 349.522 4.488 20 30 EIEDRP CCCCCCCC[N@@H+]1CC[C@@]2(C[NH+](C)C[C@@H]2COCC2CC2)C1 ZINC001201813752 1054912433 /nfs/dbraw/zinc/91/24/33/1054912433.db2.gz IVDUSQYIUYTDJN-NHCUHLMSSA-N 2 0 336.564 4.027 20 30 EIEDRP CCCCCCC[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cccn3)[NH+]2C(C)C)C1 ZINC001201776602 1054913854 /nfs/dbraw/zinc/91/38/54/1054913854.db2.gz GQYAYVCQHXCYTM-HKBOAZHASA-N 2 0 346.563 4.027 20 30 EIEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412106 1056112925 /nfs/dbraw/zinc/11/29/25/1056112925.db2.gz USAMYIRUSQPIEN-HYFFOGBASA-N 2 0 333.479 4.044 20 30 EIEDRP C#CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000766409447 1060339156 /nfs/dbraw/zinc/33/91/56/1060339156.db2.gz PLUZLDSKWUMWRH-GOSISDBHSA-N 2 0 340.511 4.146 20 30 EIEDRP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000471246055 1020218021 /nfs/dbraw/zinc/21/80/21/1020218021.db2.gz XPHPLOIKXYBXNF-MBSDFSHPSA-N 2 0 347.506 4.387 20 30 EIEDRP C=CCCCCCCC[NH+]1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001209442121 1020351049 /nfs/dbraw/zinc/35/10/49/1020351049.db2.gz UEBQXVHTRRHWJQ-VXKWHMMOSA-N 2 0 348.575 4.193 20 30 EIEDRP CC(C)(CCC#N)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364428929 1023765139 /nfs/dbraw/zinc/76/51/39/1023765139.db2.gz BZDPDKOFCVREGV-UHFFFAOYSA-N 2 0 339.527 4.304 20 30 EIEDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cccc(C#N)c1 ZINC000135281786 1023800282 /nfs/dbraw/zinc/80/02/82/1023800282.db2.gz FVGFICUZCWZRQR-JYBLXFRWSA-N 2 0 345.490 4.404 20 30 EIEDRP Cc1cc(C#N)cc(C)c1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505452 1025543976 /nfs/dbraw/zinc/54/39/76/1025543976.db2.gz SQFPDYOWGUTLCP-OAQYLSRUSA-N 2 0 347.506 4.129 20 30 EIEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC001167840378 1025862089 /nfs/dbraw/zinc/86/20/89/1025862089.db2.gz FZQICLHZXIMNET-GOSISDBHSA-N 2 0 327.516 4.248 20 30 EIEDRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000519796154 1026993744 /nfs/dbraw/zinc/99/37/44/1026993744.db2.gz YJNRAHHRTPQSHK-MRXNPFEDSA-N 2 0 341.421 4.033 20 30 EIEDRP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000582745621 1027224103 /nfs/dbraw/zinc/22/41/03/1027224103.db2.gz RRWSUBDIQYAGIS-HTAPYJJXSA-N 2 0 333.479 4.360 20 30 EIEDRP C[C@@H]1C[C@@H]([NH+]2CCC(CC#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168053970 1029185111 /nfs/dbraw/zinc/18/51/11/1029185111.db2.gz QNYRKPUHKNUDGX-RMFSNUHRSA-N 2 0 325.500 4.054 20 30 EIEDRP CCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000447589205 1030191586 /nfs/dbraw/zinc/19/15/86/1030191586.db2.gz XAHJPGYGITUPQY-LEWJYISDSA-N 2 0 339.527 4.351 20 30 EIEDRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449190865 1031508984 /nfs/dbraw/zinc/50/89/84/1031508984.db2.gz WTQQJWUZFGTRRF-NHUPUQRLSA-N 2 0 339.527 4.205 20 30 EIEDRP C[C@H]1C[C@H](CC[NH2+]C2CCC(C)(C#N)CC2)C[N@@H+]1Cc1ccccc1 ZINC000449212739 1031539757 /nfs/dbraw/zinc/53/97/57/1031539757.db2.gz IYXPQGWFUFNMLH-UBHSMVFVSA-N 2 0 339.527 4.349 20 30 EIEDRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000449301079 1031608212 /nfs/dbraw/zinc/60/82/12/1031608212.db2.gz GMLHMXJTTUXRJH-KMFTYDHNSA-N 2 0 339.527 4.002 20 30 EIEDRP C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000614184870 1033637137 /nfs/dbraw/zinc/63/71/37/1033637137.db2.gz BHMSIJBRFUYQBF-PKOBYXMFSA-N 2 0 339.527 4.230 20 30 EIEDRP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000614184867 1033637471 /nfs/dbraw/zinc/63/74/71/1033637471.db2.gz BHMSIJBRFUYQBF-IEBWSBKVSA-N 2 0 339.527 4.230 20 30 EIEDRP Cc1cc(C#N)ccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000614397210 1034537484 /nfs/dbraw/zinc/53/74/84/1034537484.db2.gz BWUXRXIWIAJLJQ-UHFFFAOYSA-N 2 0 347.506 4.211 20 30 EIEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000589337904 1036740425 /nfs/dbraw/zinc/74/04/25/1036740425.db2.gz DHWSYRVOKWTAOG-QHCPKHFHSA-N 2 0 345.490 4.047 20 30 EIEDRP CC[N@@H+](Cc1ccc(C#N)c(C)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000488414701 1037582925 /nfs/dbraw/zinc/58/29/25/1037582925.db2.gz OEUXXYSYSBAWKA-JOCHJYFZSA-N 2 0 347.506 4.211 20 30 EIEDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423032858 1037916996 /nfs/dbraw/zinc/91/69/96/1037916996.db2.gz NFWLXPFAUKYEQF-BFTULFPGSA-N 2 0 331.463 4.159 20 30 EIEDRP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000423292061 1038095654 /nfs/dbraw/zinc/09/56/54/1038095654.db2.gz LBUVRADRMWHNQG-YTXWROIDSA-N 2 0 333.479 4.200 20 30 EIEDRP C[C@H]([NH2+]C1(c2ccc(C#N)cc2)CCC1)c1ccc(-n2ccnc2)cc1 ZINC000594512859 1039495962 /nfs/dbraw/zinc/49/59/62/1039495962.db2.gz FEDHFGAPGVQYQN-KRWDZBQOSA-N 2 0 342.446 4.474 20 30 EIEDRP C=CC[N@H+]1CCC[C@H]1c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1 ZINC001168001417 1042851222 /nfs/dbraw/zinc/85/12/22/1042851222.db2.gz YFVUCTGMOGPQDQ-IBGZPJMESA-N 2 0 338.430 4.180 20 30 EIEDRP N#C[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000185817404 1043222849 /nfs/dbraw/zinc/22/28/49/1043222849.db2.gz JKBMJMSVMKLDFY-HKUYNNGSSA-N 2 0 345.918 4.224 20 30 EIEDRP C#Cc1ccc(C[NH2+]C2C[C@H](C)[NH+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168021586 1044445294 /nfs/dbraw/zinc/44/52/94/1044445294.db2.gz QKHOVNWRVYSUSQ-OALUTQOASA-N 2 0 332.491 4.199 20 30 EIEDRP CC(C)[NH+]1CCC(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170358980 1046012480 /nfs/dbraw/zinc/01/24/80/1046012480.db2.gz JZJOVYWXVFFIPQ-UHFFFAOYSA-N 2 0 339.527 4.101 20 30 EIEDRP CC(C)[N@@H+](C1CCC(C#N)(c2ccccc2)CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001170373439 1046031872 /nfs/dbraw/zinc/03/18/72/1046031872.db2.gz FDPYNMXREMSCSS-IJDVVPKISA-N 2 0 339.527 4.371 20 30 EIEDRP N#CCCC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459582582 1046779508 /nfs/dbraw/zinc/77/95/08/1046779508.db2.gz DUIVFQLTXYPBHS-OAQYLSRUSA-N 2 0 334.467 4.075 20 30 EIEDRP C#Cc1ccc(C[N@@H+]2CCCC3=C[C@H]4C[C@H](C[NH+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC001144578750 1048730289 /nfs/dbraw/zinc/73/02/89/1048730289.db2.gz MNNXLLFJDPRIFZ-OLKYXYMISA-N 2 0 346.518 4.063 20 30 EIEDRP CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171972317 1049834946 /nfs/dbraw/zinc/83/49/46/1049834946.db2.gz PZBRXSCGTBUYJT-MISYRCLQSA-N 2 0 325.500 4.102 20 30 EIEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001172302726 1049872956 /nfs/dbraw/zinc/87/29/56/1049872956.db2.gz PLVHPHNKZUEIIE-SFHVURJKSA-N 2 0 339.527 4.124 20 30 EIEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303932 1049873687 /nfs/dbraw/zinc/87/36/87/1049873687.db2.gz GJCGAPJLGYKODU-HSQYWUDLSA-N 2 0 339.527 4.251 20 30 EIEDRP C[C@@H](CCCC#N)[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC001172489017 1049920585 /nfs/dbraw/zinc/92/05/85/1049920585.db2.gz YCGUULMEVOVORW-INIZCTEOSA-N 2 0 333.907 4.224 20 30 EIEDRP CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2C[NH+]([C@H](C)CCCC#N)C[C@@H]21 ZINC001172500232 1049923156 /nfs/dbraw/zinc/92/31/56/1049923156.db2.gz XVZOZRHHKFTYDG-SEVLPDGMSA-N 2 0 325.500 4.179 20 30 EIEDRP CCCCCCCC[C@@H](CC)[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001172506306 1049924369 /nfs/dbraw/zinc/92/43/69/1049924369.db2.gz QXYFPKMZHBYRJP-LJQANCHMSA-N 2 0 325.585 4.131 20 30 EIEDRP C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H](C)c1ccccc1 ZINC000181849905 1050356496 /nfs/dbraw/zinc/35/64/96/1050356496.db2.gz POGNUHSTPXXTKN-MOPGFXCFSA-N 2 0 347.506 4.304 20 30 EIEDRP N#CCC1CCC([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1 ZINC001173334478 1050424945 /nfs/dbraw/zinc/42/49/45/1050424945.db2.gz XBWWEHUSLAAGQJ-UHFFFAOYSA-N 2 0 345.918 4.148 20 30 EIEDRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCc4cc(C#N)ccc43)CC2)C1 ZINC000618808022 1050535635 /nfs/dbraw/zinc/53/56/35/1050535635.db2.gz YNSNMQRGPSMPKW-BSLALVQMSA-N 2 0 337.511 4.178 20 30 EIEDRP C=CCOc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC001203269813 1051918472 /nfs/dbraw/zinc/91/84/72/1051918472.db2.gz DMGCYVQLJUNLTA-SFHVURJKSA-N 2 0 348.918 4.116 20 30 EIEDRP C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869223 1052616222 /nfs/dbraw/zinc/61/62/22/1052616222.db2.gz ZUUOMNODECWWKM-RXVVDRJESA-N 2 0 333.479 4.073 20 30 EIEDRP N#CC1(c2ccc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cc2)CC1 ZINC000850178540 1053081353 /nfs/dbraw/zinc/08/13/53/1053081353.db2.gz BWFXJLRBDZPLDN-UHFFFAOYSA-N 2 0 337.511 4.128 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCC)C2)cc1 ZINC000765289640 1053493885 /nfs/dbraw/zinc/49/38/85/1053493885.db2.gz CHWHZBRXXIXJIR-SJORKVTESA-N 2 0 336.907 4.200 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCC)C2)cc1 ZINC000765289631 1053494691 /nfs/dbraw/zinc/49/46/91/1053494691.db2.gz CHWHZBRXXIXJIR-DLBZAZTESA-N 2 0 336.907 4.200 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000765770180 1054850789 /nfs/dbraw/zinc/85/07/89/1054850789.db2.gz XUCLQYWFDVQZEI-MRXNPFEDSA-N 2 0 336.907 4.200 20 30 EIEDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@H](C)C1 ZINC000091412336 1056103605 /nfs/dbraw/zinc/10/36/05/1056103605.db2.gz PJXBQWZJSGYKAT-VGOFRKELSA-N 2 0 333.479 4.045 20 30 EIEDRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCCC3(C#N)CCC3)C2)CC1 ZINC001167254979 1020682664 /nfs/dbraw/zinc/68/26/64/1020682664.db2.gz CHCODQKQQOALRM-FQEVSTJZSA-N 2 0 331.548 4.294 20 30 EIEDRP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)CC1 ZINC000177683031 1021438269 /nfs/dbraw/zinc/43/82/69/1021438269.db2.gz WYEZPZWBYOHLBX-UHFFFAOYSA-N 2 0 339.508 4.141 20 30 EIEDRP C=CCOc1ccc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000415052808 1023411544 /nfs/dbraw/zinc/41/15/44/1023411544.db2.gz LKNMGEPJYOKREW-IBGZPJMESA-N 2 0 344.886 4.475 20 30 EIEDRP C=CCOc1ccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000520949812 1024770078 /nfs/dbraw/zinc/77/00/78/1024770078.db2.gz RWJLASLXNAKIHE-KDURUIRLSA-N 2 0 330.516 4.099 20 30 EIEDRP C=CCCCCCCC[NH2+][C@@]12CC[C@@](NCC[NH+](C)C)(C1)CCC2 ZINC001279271863 1026201745 /nfs/dbraw/zinc/20/17/45/1026201745.db2.gz PUNXNRLXMWOWCG-LEWJYISDSA-N 2 0 335.580 4.099 20 30 EIEDRP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611590720 1026506953 /nfs/dbraw/zinc/50/69/53/1026506953.db2.gz BTMOUPTVOSIOHV-BPXKWBHBSA-N 2 0 337.511 4.178 20 30 EIEDRP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1 ZINC000447512178 1030130389 /nfs/dbraw/zinc/13/03/89/1030130389.db2.gz XJAAEQWVUIRQHD-JOCHJYFZSA-N 2 0 333.479 4.395 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+]C3CCC(C#N)CC3)c2)CC1 ZINC000602544616 1036489059 /nfs/dbraw/zinc/48/90/59/1036489059.db2.gz NAOPFJSDUPPFRW-UHFFFAOYSA-N 2 0 325.500 4.090 20 30 EIEDRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336603 1036737576 /nfs/dbraw/zinc/73/75/76/1036737576.db2.gz XIKOMOJQLMFNFC-QFIPXVFZSA-N 2 0 333.479 4.177 20 30 EIEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CC2 ZINC000589336970 1036739797 /nfs/dbraw/zinc/73/97/97/1036739797.db2.gz PIBPUFATLGATBO-NZQKXSOJSA-N 2 0 345.490 4.047 20 30 EIEDRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594926134 1038430930 /nfs/dbraw/zinc/43/09/30/1038430930.db2.gz SJFPWLZOSZPOEE-RTBURBONSA-N 2 0 339.527 4.089 20 30 EIEDRP N#Cc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000534962967 1039877243 /nfs/dbraw/zinc/87/72/43/1039877243.db2.gz OBYHLXUZZPNZNS-UHFFFAOYSA-N 2 0 345.490 4.046 20 30 EIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000463299409 1041483592 /nfs/dbraw/zinc/48/35/92/1041483592.db2.gz FGHDTQJMLKEXBI-GKJHBJHPSA-N 2 0 339.527 4.336 20 30 EIEDRP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)ccc1C#N ZINC000443984431 1042731354 /nfs/dbraw/zinc/73/13/54/1042731354.db2.gz XOXBNVWPYJAEKL-GOSISDBHSA-N 2 0 347.506 4.388 20 30 EIEDRP N#Cc1ccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)cc1 ZINC001168002080 1042873838 /nfs/dbraw/zinc/87/38/38/1042873838.db2.gz DILZOEKTGJNEKY-AIZNXBIQSA-N 2 0 349.522 4.143 20 30 EIEDRP C#CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000183187854 1042915664 /nfs/dbraw/zinc/91/56/64/1042915664.db2.gz RMTCEUJVTYWXGE-NLWGTHIKSA-N 2 0 340.511 4.002 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)c2)CC1 ZINC000185821737 1043223253 /nfs/dbraw/zinc/22/32/53/1043223253.db2.gz AKPIJSCCOZLRDK-GHTZIAJQSA-N 2 0 325.500 4.090 20 30 EIEDRP Clc1ccc(C#CC[NH+]2CCC(CCCn3ccnc3)CC2)cc1 ZINC000543061245 1043705551 /nfs/dbraw/zinc/70/55/51/1043705551.db2.gz VRKOYLLCSGGUNO-UHFFFAOYSA-N 2 0 341.886 4.080 20 30 EIEDRP CC(C)[NH+]1CCC([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000766107226 1044194009 /nfs/dbraw/zinc/19/40/09/1044194009.db2.gz DCNLRGPZUHTBJT-UHFFFAOYSA-N 2 0 339.508 4.249 20 30 EIEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378491811 1044647508 /nfs/dbraw/zinc/64/75/08/1044647508.db2.gz GGJKIGHCFKLYLT-SVMVAKDDSA-N 2 0 333.479 4.119 20 30 EIEDRP C[C@H]1CC(NCc2csc(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168034569 1044952490 /nfs/dbraw/zinc/95/24/90/1044952490.db2.gz QPZKKQJJYJMCAK-HOTGVXAUSA-N 2 0 339.508 4.151 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCC[NH+]1CCCCC1 ZINC000611392775 1045298812 /nfs/dbraw/zinc/29/88/12/1045298812.db2.gz LDMVSBYCZHPORT-OAQYLSRUSA-N 2 0 325.500 4.181 20 30 EIEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248836423 1045884999 /nfs/dbraw/zinc/88/49/99/1045884999.db2.gz NCPBBGGHVYUNMP-YLJYHZDGSA-N 2 0 337.467 4.084 20 30 EIEDRP CCCCCCCCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000792268453 1045885595 /nfs/dbraw/zinc/88/55/95/1045885595.db2.gz IURBKCZZAKUKRU-UHFFFAOYSA-N 2 0 337.596 4.227 20 30 EIEDRP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)CC(C)(C)CC[NH3+] ZINC001170365370 1046018280 /nfs/dbraw/zinc/01/82/80/1046018280.db2.gz XNEFBOCESWOONT-HOHBBMLPSA-N 2 0 341.543 4.381 20 30 EIEDRP C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001171196352 1048705924 /nfs/dbraw/zinc/70/59/24/1048705924.db2.gz ZNPKKBGSYDSWCO-GOSISDBHSA-N 2 0 339.527 4.124 20 30 EIEDRP C#Cc1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC001144580712 1048729011 /nfs/dbraw/zinc/72/90/11/1048729011.db2.gz FXKJMWLYSRTPFZ-DNQXCXABSA-N 2 0 344.502 4.012 20 30 EIEDRP C#Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC001144573479 1048732178 /nfs/dbraw/zinc/73/21/78/1048732178.db2.gz LIERBDAQYMQYKK-UHFFFAOYSA-N 2 0 344.502 4.156 20 30 EIEDRP CC1(C)C[C@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171963745 1049825812 /nfs/dbraw/zinc/82/58/12/1049825812.db2.gz JAEFDVGVWOAXBV-OAQYLSRUSA-N 2 0 333.479 4.091 20 30 EIEDRP N#C[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172073565 1049845607 /nfs/dbraw/zinc/84/56/07/1049845607.db2.gz AMJQSMAJCPTKET-VXSCBNMQSA-N 2 0 337.511 4.198 20 30 EIEDRP CC[C@@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173268732 1050390432 /nfs/dbraw/zinc/39/04/32/1050390432.db2.gz CFQCWGLJCNKHQJ-QYRPDUKASA-N 2 0 325.500 4.209 20 30 EIEDRP C#CC[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775398118 1051213588 /nfs/dbraw/zinc/21/35/88/1051213588.db2.gz FJYMQUSHLNSGRZ-CADWTGSVSA-N 2 0 342.486 4.251 20 30 EIEDRP CC(C)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1CC[NH+](C)CC1 ZINC001183464862 1051847833 /nfs/dbraw/zinc/84/78/33/1051847833.db2.gz ZMKVGGIQFOJMPQ-UHFFFAOYSA-N 2 0 341.543 4.288 20 30 EIEDRP C[C@H](C#N)Oc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000185158469 1052495486 /nfs/dbraw/zinc/49/54/86/1052495486.db2.gz GXJUXFQHCFWIPF-GOSISDBHSA-N 2 0 343.515 4.112 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CC(C)(C)CCC#N ZINC000174272200 1052564440 /nfs/dbraw/zinc/56/44/40/1052564440.db2.gz DDPBMXHZHKCKLA-GOSISDBHSA-N 2 0 327.516 4.481 20 30 EIEDRP CC1(C#N)CCC([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000865717646 1053577917 /nfs/dbraw/zinc/57/79/17/1053577917.db2.gz HRCYHNIPOCKTQN-UHFFFAOYSA-N 2 0 339.527 4.351 20 30 EIEDRP C[NH+](C)C1(C)CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000866515620 1053764145 /nfs/dbraw/zinc/76/41/45/1053764145.db2.gz FAELLYJKAKYRMT-UHFFFAOYSA-N 2 0 339.527 4.243 20 30 EIEDRP C[C@@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000776738846 1053818431 /nfs/dbraw/zinc/81/84/31/1053818431.db2.gz HKYSYSVDCZBVPT-QGZVFWFLSA-N 2 0 331.479 4.394 20 30 EIEDRP CCCCCCCCCCC[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001201631722 1054860165 /nfs/dbraw/zinc/86/01/65/1054860165.db2.gz ZDTULWYJBYKWSM-UHFFFAOYSA-N 2 0 337.596 4.231 20 30 EIEDRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)cc1 ZINC000153709700 1056064556 /nfs/dbraw/zinc/06/45/56/1056064556.db2.gz YRNPCYXAKMBCSC-HOTGVXAUSA-N 2 0 330.435 4.464 20 30 EIEDRP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)cc1 ZINC000153709861 1056066600 /nfs/dbraw/zinc/06/66/00/1056066600.db2.gz YRNPCYXAKMBCSC-JKSUJKDBSA-N 2 0 330.435 4.464 20 30 EIEDRP CN1CC[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)C[C@@H]1c1ccccc1 ZINC000417370804 1023292769 /nfs/dbraw/zinc/29/27/69/1023292769.db2.gz SURKASIDDKPWLV-MDNUFGMLSA-N 2 0 345.490 4.361 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000178258116 1023875659 /nfs/dbraw/zinc/87/56/59/1023875659.db2.gz MKTCNNCTRUMBGX-MRXNPFEDSA-N 2 0 348.918 4.343 20 30 EIEDRP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)c1cccc(C#N)c1 ZINC000181810719 1024493587 /nfs/dbraw/zinc/49/35/87/1024493587.db2.gz KWAGRJQXPBTGID-QSFXBCCZSA-N 2 0 339.508 4.353 20 30 EIEDRP N#Cc1cccc(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4CC3CC3)CC2)c1 ZINC001167995371 1027754800 /nfs/dbraw/zinc/75/48/00/1027754800.db2.gz CRGVLUSCZWZUNP-AIZNXBIQSA-N 2 0 349.522 4.143 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000449082172 1031438870 /nfs/dbraw/zinc/43/88/70/1031438870.db2.gz LFIWNLVSZMVLFU-XTWGIRIWSA-N 2 0 339.527 4.481 20 30 EIEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000449104857 1031444700 /nfs/dbraw/zinc/44/47/00/1031444700.db2.gz GSMJEUVWTMTHRW-UHFFFAOYSA-N 2 0 331.529 4.022 20 30 EIEDRP C=C(C)C[NH+]1CCC(NCc2ccccc2OC2CCCC2)CC1 ZINC000236690637 1031661692 /nfs/dbraw/zinc/66/16/92/1031661692.db2.gz YPOHPXAKKLAMFE-UHFFFAOYSA-N 2 0 328.500 4.138 20 30 EIEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000512655622 1033626476 /nfs/dbraw/zinc/62/64/76/1033626476.db2.gz VYVMPGGDPVSONX-INIZCTEOSA-N 2 0 331.479 4.106 20 30 EIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512655337 1033628756 /nfs/dbraw/zinc/62/87/56/1033628756.db2.gz TUPDJGPMPUUTMB-MRXNPFEDSA-N 2 0 339.458 4.390 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094386 1035820479 /nfs/dbraw/zinc/82/04/79/1035820479.db2.gz LVBOIWBBOGGPHD-SIKLNZKXSA-N 2 0 337.511 4.037 20 30 EIEDRP C=C(C)CN1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000482634090 1040407674 /nfs/dbraw/zinc/40/76/74/1040407674.db2.gz INELBPVNJFNCCJ-SFHVURJKSA-N 2 0 349.316 4.067 20 30 EIEDRP C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517865 1040972851 /nfs/dbraw/zinc/97/28/51/1040972851.db2.gz UXUDDLGNBORHDG-NRDMVMEKSA-N 2 0 339.527 4.205 20 30 EIEDRP C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516690453 1041710010 /nfs/dbraw/zinc/71/00/10/1041710010.db2.gz PJPJWWRSQMRYHQ-LXBDKUERSA-N 2 0 345.490 4.046 20 30 EIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271957258 1042565128 /nfs/dbraw/zinc/56/51/28/1042565128.db2.gz SKGNGCFFSOKIIU-MRXNPFEDSA-N 2 0 339.458 4.388 20 30 EIEDRP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)ccc1C#N ZINC000444000319 1042745561 /nfs/dbraw/zinc/74/55/61/1042745561.db2.gz VOKFTNIKLOENBN-NOTZXAQLSA-N 2 0 345.490 4.152 20 30 EIEDRP C[C@H]1CC([NH2+]Cc2cccc(C#N)c2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168006957 1043011423 /nfs/dbraw/zinc/01/14/23/1043011423.db2.gz PSTVPPMDGOVSCM-ROUUACIJSA-N 2 0 333.479 4.089 20 30 EIEDRP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185768224 1043218191 /nfs/dbraw/zinc/21/81/91/1043218191.db2.gz JHSNOBKKEMETCM-LEWJYISDSA-N 2 0 325.500 4.090 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)c2)CC1 ZINC000185821757 1043222773 /nfs/dbraw/zinc/22/27/73/1043222773.db2.gz AKPIJSCCOZLRDK-RXVVDRJESA-N 2 0 325.500 4.090 20 30 EIEDRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H](C)C1 ZINC000246108153 1044238608 /nfs/dbraw/zinc/23/86/08/1044238608.db2.gz PJXBQWZJSGYKAT-HTAPYJJXSA-N 2 0 333.479 4.045 20 30 EIEDRP C[C@@H]1CC(NCc2csc(C#N)c2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034572 1044951040 /nfs/dbraw/zinc/95/10/40/1044951040.db2.gz QPZKKQJJYJMCAK-HZPDHXFCSA-N 2 0 339.508 4.151 20 30 EIEDRP C[N@H+](CCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000611390231 1045302304 /nfs/dbraw/zinc/30/23/04/1045302304.db2.gz LFVIPYKMAGFDCA-JOCHJYFZSA-N 2 0 333.479 4.047 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000817986679 1049080177 /nfs/dbraw/zinc/08/01/77/1049080177.db2.gz STCUQCIUYVGIKB-RDJZCZTQSA-N 2 0 334.891 4.143 20 30 EIEDRP C[NH+]1C(C)(C)CC([NH+]2CCC(C#N)(c3ccccc3)CC2)CC1(C)C ZINC001171628720 1049762575 /nfs/dbraw/zinc/76/25/75/1049762575.db2.gz HSPTVSGYJAIRHM-UHFFFAOYSA-N 2 0 339.527 4.195 20 30 EIEDRP C[NH+]1C(C)(C)CC([NH+]2CCC(c3ccc(C#N)cc3)CC2)CC1(C)C ZINC001171642643 1049781424 /nfs/dbraw/zinc/78/14/24/1049781424.db2.gz LBZNETCWSJFSRG-UHFFFAOYSA-N 2 0 339.527 4.389 20 30 EIEDRP CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171961853 1049825582 /nfs/dbraw/zinc/82/55/82/1049825582.db2.gz BGERVDYTDHHJLG-OAQYLSRUSA-N 2 0 333.479 4.091 20 30 EIEDRP N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C[C@H]2CCC[C@@H](C1)N2Cc1ccccc1 ZINC001172083232 1049847492 /nfs/dbraw/zinc/84/74/92/1049847492.db2.gz OQNVBMSTGDSJTP-BBFRTWCISA-N 2 0 349.522 4.339 20 30 EIEDRP C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC001172300257 1049882561 /nfs/dbraw/zinc/88/25/61/1049882561.db2.gz SSOZCEKPUVUOQW-SFHVURJKSA-N 2 0 339.527 4.124 20 30 EIEDRP C[C@@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C[C@H]1C ZINC001172369365 1049897241 /nfs/dbraw/zinc/89/72/41/1049897241.db2.gz QNGNNMJUICONHF-FXJJGOGXSA-N 2 0 339.527 4.455 20 30 EIEDRP C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)[C@H](C)c1ccccc1 ZINC000181849887 1050355879 /nfs/dbraw/zinc/35/58/79/1050355879.db2.gz POGNUHSTPXXTKN-RBUKOAKNSA-N 2 0 347.506 4.304 20 30 EIEDRP CC[C@H]1CC[C@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271408 1050391567 /nfs/dbraw/zinc/39/15/67/1050391567.db2.gz QGDNXDUKCFUTQF-FIRPJDEBSA-N 2 0 325.500 4.209 20 30 EIEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001173312105 1050407005 /nfs/dbraw/zinc/40/70/05/1050407005.db2.gz UZYBMIDNYHMJIM-UHFFFAOYSA-N 2 0 342.527 4.002 20 30 EIEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC001173316167 1050440057 /nfs/dbraw/zinc/44/00/57/1050440057.db2.gz XPUDNCZDJVSVQV-UHFFFAOYSA-N 2 0 334.548 4.135 20 30 EIEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001173590891 1050495355 /nfs/dbraw/zinc/49/53/55/1050495355.db2.gz FDXBEQHZJIYONQ-UHFFFAOYSA-N 2 0 331.891 4.062 20 30 EIEDRP N#CC1(CC[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)CCCCC1 ZINC001194203874 1052104620 /nfs/dbraw/zinc/10/46/20/1052104620.db2.gz KECYUXALNZKLLN-UHFFFAOYSA-N 2 0 348.494 4.221 20 30 EIEDRP C=CCOc1ccc(C[NH2+][C@H](Cn2ccnc2)C(C)(C)C)cc1Cl ZINC001199608026 1054432053 /nfs/dbraw/zinc/43/20/53/1054432053.db2.gz AYDXNNCNGAJODQ-GOSISDBHSA-N 2 0 347.890 4.306 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]CC2CC[NH+](CC)CC2)cc1 ZINC000765770178 1054849454 /nfs/dbraw/zinc/84/94/54/1054849454.db2.gz XUCLQYWFDVQZEI-INIZCTEOSA-N 2 0 336.907 4.200 20 30 EIEDRP C[C@H](NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444916 1022823472 /nfs/dbraw/zinc/82/34/72/1022823472.db2.gz YVRNDROJHKWWTN-SOLBZPMBSA-N 2 0 339.508 4.181 20 30 EIEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001167824690 1025584195 /nfs/dbraw/zinc/58/41/95/1025584195.db2.gz FKNJGGSSSXHCQM-IBGZPJMESA-N 2 0 341.543 4.323 20 30 EIEDRP N#CC1(c2ccccc2)CCC([NH2+]CCCCC[NH+]2CCCC2)CC1 ZINC000583514154 1028827769 /nfs/dbraw/zinc/82/77/69/1028827769.db2.gz LMBXBUPAIRRWJN-UHFFFAOYSA-N 2 0 339.527 4.246 20 30 EIEDRP C[C@@H]1CC([NH+]2CCC(CC#N)CC2)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168053968 1029186221 /nfs/dbraw/zinc/18/62/21/1029186221.db2.gz QNYRKPUHKNUDGX-QZTJIDSGSA-N 2 0 325.500 4.054 20 30 EIEDRP N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000532581802 1031313345 /nfs/dbraw/zinc/31/33/45/1031313345.db2.gz NBXQBAXARGMQHK-HXUWFJFHSA-N 2 0 345.490 4.143 20 30 EIEDRP CC1(C#N)CCC([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000449066964 1031420206 /nfs/dbraw/zinc/42/02/06/1031420206.db2.gz HDCMXNXWDYGPTE-UHFFFAOYSA-N 2 0 325.500 4.235 20 30 EIEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCC(C)(C#N)CC1 ZINC000449190858 1031510900 /nfs/dbraw/zinc/51/09/00/1031510900.db2.gz WTQQJWUZFGTRRF-IYVCXYCASA-N 2 0 339.527 4.205 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000398147904 1034551756 /nfs/dbraw/zinc/55/17/56/1034551756.db2.gz OOXSMCYNSVHMQF-NPPFBWRTSA-N 2 0 333.479 4.119 20 30 EIEDRP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC[C@H]21 ZINC000485323064 1035823292 /nfs/dbraw/zinc/82/32/92/1035823292.db2.gz RPSOHXWHKCXCFN-FYYLOGMGSA-N 2 0 345.490 4.141 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]C2CCC(C#N)CC2)cc1 ZINC000602515957 1036474309 /nfs/dbraw/zinc/47/43/09/1036474309.db2.gz UMAWUXXXKDUECN-XPQZIERPSA-N 2 0 325.500 4.233 20 30 EIEDRP N#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000057970588 1037351790 /nfs/dbraw/zinc/35/17/90/1037351790.db2.gz RRUNAXJJGBFKGR-UHFFFAOYSA-N 2 0 333.479 4.224 20 30 EIEDRP Cc1cc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)ccc1C#N ZINC000488293721 1037489766 /nfs/dbraw/zinc/48/97/66/1037489766.db2.gz YQFZEXUKQVOMOZ-OALUTQOASA-N 2 0 347.506 4.113 20 30 EIEDRP C=CCOc1ccc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1Cl ZINC000503789681 1037912525 /nfs/dbraw/zinc/91/25/25/1037912525.db2.gz BPRGYWNKTNPHAX-UHFFFAOYSA-N 2 0 336.907 4.304 20 30 EIEDRP C=CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1Cl ZINC000537636226 1039362660 /nfs/dbraw/zinc/36/26/60/1039362660.db2.gz SSEUCCSZCZVAOR-MAUKXSAKSA-N 2 0 336.907 4.067 20 30 EIEDRP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517861 1040973010 /nfs/dbraw/zinc/97/30/10/1040973010.db2.gz UXUDDLGNBORHDG-AYWYSENESA-N 2 0 339.527 4.205 20 30 EIEDRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000538398026 1041315968 /nfs/dbraw/zinc/31/59/68/1041315968.db2.gz AWFFHNZYPKNABR-SFHVURJKSA-N 2 0 333.479 4.395 20 30 EIEDRP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540708466 1041607960 /nfs/dbraw/zinc/60/79/60/1041607960.db2.gz WVHUJVNJPJGBAL-BBWFWOEESA-N 2 0 331.479 4.106 20 30 EIEDRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)c(F)c1 ZINC000271913665 1042518382 /nfs/dbraw/zinc/51/83/82/1042518382.db2.gz FMVSRZVHMAYDAE-MRXNPFEDSA-N 2 0 337.442 4.144 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185779664 1043220535 /nfs/dbraw/zinc/22/05/35/1043220535.db2.gz YDDSBFUFQGFRSS-LVCYWYKZSA-N 2 0 325.500 4.090 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185881682 1043229705 /nfs/dbraw/zinc/22/97/05/1043229705.db2.gz HLSRLLUWISMZPT-NQIIRXRSSA-N 2 0 325.500 4.090 20 30 EIEDRP C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000378491804 1044649015 /nfs/dbraw/zinc/64/90/15/1044649015.db2.gz GGJKIGHCFKLYLT-NJNPRVFISA-N 2 0 333.479 4.119 20 30 EIEDRP C[N@H+](CCC[NH2+][C@H]1CCCc2cc(C#N)ccc21)Cc1ccccc1 ZINC000611390232 1045301856 /nfs/dbraw/zinc/30/18/56/1045301856.db2.gz LFVIPYKMAGFDCA-QFIPXVFZSA-N 2 0 333.479 4.047 20 30 EIEDRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(C#N)c(F)c1 ZINC000272704113 1045809695 /nfs/dbraw/zinc/80/96/95/1045809695.db2.gz TVEABYPYRCTFKZ-RLFYNMQTSA-N 2 0 329.463 4.001 20 30 EIEDRP CCCCCCCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000792260633 1045886544 /nfs/dbraw/zinc/88/65/44/1045886544.db2.gz OFCPASHHUMLVOH-UHFFFAOYSA-N 2 0 337.596 4.227 20 30 EIEDRP C[C@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000611590726 1046196014 /nfs/dbraw/zinc/19/60/14/1046196014.db2.gz BTMOUPTVOSIOHV-NBCNXNJRSA-N 2 0 337.511 4.178 20 30 EIEDRP C=CCCCCC[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000793537625 1046277670 /nfs/dbraw/zinc/27/76/70/1046277670.db2.gz XWCWUHWQLOIBOH-FQEVSTJZSA-N 2 0 335.580 4.051 20 30 EIEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCC[C@@H]21 ZINC000556884379 1048100145 /nfs/dbraw/zinc/10/01/45/1048100145.db2.gz CAIMAIVIPKIVBM-VABKMULXSA-N 2 0 345.490 4.188 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH2+]C)cc1 ZINC000844924949 1048548305 /nfs/dbraw/zinc/54/83/05/1048548305.db2.gz NXUODWZDVSYPQM-MRXNPFEDSA-N 2 0 344.886 4.388 20 30 EIEDRP N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)CC2 ZINC000810215454 1048684729 /nfs/dbraw/zinc/68/47/29/1048684729.db2.gz FOKHCERCQJJPSI-OAQYLSRUSA-N 2 0 325.500 4.181 20 30 EIEDRP C#Cc1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccccc4)CC[C@H]3C2)cc1 ZINC001144580714 1048730415 /nfs/dbraw/zinc/73/04/15/1048730415.db2.gz FXKJMWLYSRTPFZ-ZEQRLZLVSA-N 2 0 344.502 4.012 20 30 EIEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171201235 1048759704 /nfs/dbraw/zinc/75/97/04/1048759704.db2.gz IUXXYXZRTMVEIL-LRQRDZAKSA-N 2 0 325.500 4.004 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000817968756 1049073471 /nfs/dbraw/zinc/07/34/71/1049073471.db2.gz LUWBFKCCIOCAET-OAHLLOKOSA-N 2 0 342.870 4.272 20 30 EIEDRP C#Cc1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC001171974124 1049835816 /nfs/dbraw/zinc/83/58/16/1049835816.db2.gz ANVLHEOKRAMRJL-QFIPXVFZSA-N 2 0 332.491 4.201 20 30 EIEDRP C#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172073617 1049844881 /nfs/dbraw/zinc/84/48/81/1049844881.db2.gz SADLUBRYZHTBSG-JOZNFPNDSA-N 2 0 344.502 4.343 20 30 EIEDRP N#CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075026 1049845650 /nfs/dbraw/zinc/84/56/50/1049845650.db2.gz NLPUCYDBKZPCRR-FNAHDJPLSA-N 2 0 337.511 4.198 20 30 EIEDRP N#Cc1cccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC001172064537 1049851367 /nfs/dbraw/zinc/85/13/67/1049851367.db2.gz GZRJWQRTBOLHRO-NUNAXRQHSA-N 2 0 345.490 4.234 20 30 EIEDRP CCCCCCC[C@@H](CCC)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172511691 1049927076 /nfs/dbraw/zinc/92/70/76/1049927076.db2.gz UQHOUWKKNXHIHO-HXUWFJFHSA-N 2 0 337.596 4.227 20 30 EIEDRP CC[NH+](CC)C1CCC([NH2+][C@@H](c2cccc(C#N)c2)C(C)C)CC1 ZINC001173107831 1050306966 /nfs/dbraw/zinc/30/69/66/1050306966.db2.gz OVGVNNLHSFCMJU-XVAXZDLZSA-N 2 0 327.516 4.498 20 30 EIEDRP CCCCCCCC[C@@H](CCC)[NH2+]CCCN1CC[NH+](C)CC1 ZINC001173308696 1050402894 /nfs/dbraw/zinc/40/28/94/1050402894.db2.gz ODVZZMMDXPKBDT-HXUWFJFHSA-N 2 0 325.585 4.133 20 30 EIEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(Cc3ccccc3Cl)CC2)CC1 ZINC001173591526 1050495481 /nfs/dbraw/zinc/49/54/81/1050495481.db2.gz LVCKYRQKBHGJON-UHFFFAOYSA-N 2 0 345.918 4.148 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174272073 1052564405 /nfs/dbraw/zinc/56/44/05/1052564405.db2.gz RMJBSHAPNGFFOQ-SFHVURJKSA-N 2 0 327.516 4.338 20 30 EIEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(OCC#N)cc1 ZINC000776162123 1054772173 /nfs/dbraw/zinc/77/21/73/1054772173.db2.gz BKKWPFLHJJIMQE-QHGAOEGBSA-N 2 0 341.499 4.037 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000067668268 524116152 /nfs/dbraw/zinc/11/61/52/524116152.db2.gz XWBYSCHJUDQMAB-GOSISDBHSA-N 2 0 333.479 4.222 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3)c2)CC1 ZINC000105459571 1032245908 /nfs/dbraw/zinc/24/59/08/1032245908.db2.gz IHGPFNRDDOQZTN-UHFFFAOYSA-N 2 0 333.479 4.080 20 30 EIEDRP C=CCN1CCC([NH2+][C@H](C)c2ccc(OCC(=C)Cl)cc2)CC1 ZINC000177914116 1021807673 /nfs/dbraw/zinc/80/76/73/1021807673.db2.gz KJIKWJFGKDQIAI-MRXNPFEDSA-N 2 0 334.891 4.119 20 30 EIEDRP N#Cc1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000311449664 1022330020 /nfs/dbraw/zinc/33/00/20/1022330020.db2.gz IUPXHXYFBOVCIB-UHFFFAOYSA-N 2 0 345.490 4.046 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000500115976 1023514069 /nfs/dbraw/zinc/51/40/69/1023514069.db2.gz WLUMMFXCQZCKMF-JSRJAPPDSA-N 2 0 339.527 4.245 20 30 EIEDRP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)c1ccc(C#N)s1 ZINC000181811029 1024492223 /nfs/dbraw/zinc/49/22/23/1024492223.db2.gz MXHSOBDEAZKEAB-IYOUNJFTSA-N 2 0 345.537 4.415 20 30 EIEDRP CC(C)[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)c1cccc(C#N)c1 ZINC001167969246 1025981510 /nfs/dbraw/zinc/98/15/10/1025981510.db2.gz AUUGPJFIRNSACC-LQCXBHPOSA-N 2 0 337.511 4.250 20 30 EIEDRP C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1cccc(C[NH+](C)C)c1 ZINC000926370597 1026148344 /nfs/dbraw/zinc/14/83/44/1026148344.db2.gz QXXLDTBHIMDPPE-CQSZACIVSA-N 2 0 327.859 4.124 20 30 EIEDRP N#Cc1ccccc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342876506 1027406841 /nfs/dbraw/zinc/40/68/41/1027406841.db2.gz RDAXMKNPXWFPOC-UHFFFAOYSA-N 2 0 345.490 4.046 20 30 EIEDRP C[C@H]1CC([NH+]2CCC(C)(C#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168064704 1029635407 /nfs/dbraw/zinc/63/54/07/1029635407.db2.gz RIZGQAGXZDUDCP-ROUUACIJSA-N 2 0 325.500 4.054 20 30 EIEDRP C=CCC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccco1 ZINC000658166114 1030862122 /nfs/dbraw/zinc/86/21/22/1030862122.db2.gz MMIUBSRVYHEVLJ-HXUWFJFHSA-N 2 0 339.483 4.184 20 30 EIEDRP CC1(C#N)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000449138513 1031473733 /nfs/dbraw/zinc/47/37/33/1031473733.db2.gz IJNJXDJOLYSFDF-QMIIDVESSA-N 2 0 337.511 4.244 20 30 EIEDRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(C#N)cc1F ZINC000512649101 1033604788 /nfs/dbraw/zinc/60/47/88/1033604788.db2.gz QIGVTVQKBPKEHF-INIZCTEOSA-N 2 0 337.442 4.144 20 30 EIEDRP N#CCCC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000572033960 1036397458 /nfs/dbraw/zinc/39/74/58/1036397458.db2.gz NRYDQTOVKOZFDM-UHFFFAOYSA-N 2 0 325.500 4.188 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602513770 1036488230 /nfs/dbraw/zinc/48/82/30/1036488230.db2.gz CVEIHBSAIDABML-MPQSDHOMSA-N 2 0 325.500 4.233 20 30 EIEDRP N#CC1CCC(C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000602654402 1036553280 /nfs/dbraw/zinc/55/32/80/1036553280.db2.gz GVAFQHAHMVAFRZ-WJTCQHJGSA-N 2 0 337.511 4.274 20 30 EIEDRP C=CCOc1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000589836601 1036879785 /nfs/dbraw/zinc/87/97/85/1036879785.db2.gz NFWZYZFZQHOFEI-RTBURBONSA-N 2 0 330.516 4.099 20 30 EIEDRP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000423292060 1038097904 /nfs/dbraw/zinc/09/79/04/1038097904.db2.gz LBUVRADRMWHNQG-PPNDLDFTSA-N 2 0 333.479 4.200 20 30 EIEDRP N#CC1(c2ccccc2)CCC([NH2+][C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423499253 1038255328 /nfs/dbraw/zinc/25/53/28/1038255328.db2.gz JETZPQNTTAXUEJ-OOMBGRCJSA-N 2 0 347.506 4.460 20 30 EIEDRP CC1(C)CC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC(C)(C)[NH2+]1 ZINC000481933594 1039903300 /nfs/dbraw/zinc/90/33/00/1039903300.db2.gz PDUZZYWEJULKKN-IBGZPJMESA-N 2 0 325.500 4.225 20 30 EIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000463299414 1041483852 /nfs/dbraw/zinc/48/38/52/1041483852.db2.gz FGHDTQJMLKEXBI-UDKICSLYSA-N 2 0 339.527 4.336 20 30 EIEDRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C#N)C3)cc2)CC1 ZINC000185768240 1043218359 /nfs/dbraw/zinc/21/83/59/1043218359.db2.gz JHSNOBKKEMETCM-SFTDATJTSA-N 2 0 325.500 4.090 20 30 EIEDRP CC(C)(CCC#N)C[NH+]1CCC(c2ccccc2)([NH+]2CCCC2)CC1 ZINC000897571918 1047267628 /nfs/dbraw/zinc/26/76/28/1047267628.db2.gz BINBQJLJGLTZGL-UHFFFAOYSA-N 2 0 339.527 4.403 20 30 EIEDRP C#CCCC[NH2+][C@@H](CCC[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000788776184 1047312649 /nfs/dbraw/zinc/31/26/49/1047312649.db2.gz KPZUZAZJXKOJRQ-NRFANRHFSA-N 2 0 330.491 4.382 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH2+]C)cc1 ZINC000844924948 1048549702 /nfs/dbraw/zinc/54/97/02/1048549702.db2.gz NXUODWZDVSYPQM-INIZCTEOSA-N 2 0 344.886 4.388 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000844926406 1048549868 /nfs/dbraw/zinc/54/98/68/1048549868.db2.gz ZRDJWIREGGHTKB-AWEZNQCLSA-N 2 0 348.849 4.267 20 30 EIEDRP COc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1C[NH+]1CCCCC1 ZINC000818356973 1049145878 /nfs/dbraw/zinc/14/58/78/1049145878.db2.gz TUQNLXUYKZHOPF-FUHIMQAGSA-N 2 0 341.499 4.024 20 30 EIEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303933 1049873942 /nfs/dbraw/zinc/87/39/42/1049873942.db2.gz GJCGAPJLGYKODU-ZPMCFJSWSA-N 2 0 339.527 4.251 20 30 EIEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172312183 1049875308 /nfs/dbraw/zinc/87/53/08/1049875308.db2.gz FOIOTMOSZYKSDE-SFHVURJKSA-N 2 0 339.527 4.218 20 30 EIEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001172312174 1049875369 /nfs/dbraw/zinc/87/53/69/1049875369.db2.gz FOIOTMOSZYKSDE-GOSISDBHSA-N 2 0 339.527 4.218 20 30 EIEDRP C[C@@H](CCCC#N)N1CCC([NH3+])(c2ccccc2C(F)(F)F)CC1 ZINC001172486749 1049910979 /nfs/dbraw/zinc/91/09/79/1049910979.db2.gz HAUCZGDUQGSSCK-AWEZNQCLSA-N 2 0 339.405 4.038 20 30 EIEDRP C[C@H](CCCC#N)[NH2+]CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC001172488453 1049920349 /nfs/dbraw/zinc/92/03/49/1049920349.db2.gz SYMZGSQTBFYPDS-MRXNPFEDSA-N 2 0 333.907 4.224 20 30 EIEDRP C[C@H](CCCC#N)[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001172497619 1049921853 /nfs/dbraw/zinc/92/18/53/1049921853.db2.gz DMWHHZTVXJSQSR-HXUWFJFHSA-N 2 0 339.527 4.447 20 30 EIEDRP CCCCCCCC[C@@H](CC)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001172503434 1049924180 /nfs/dbraw/zinc/92/41/80/1049924180.db2.gz RBHBJBIWKVQSTQ-HXUWFJFHSA-N 2 0 325.585 4.131 20 30 EIEDRP C[C@@H](CCCC#N)[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172510299 1049925917 /nfs/dbraw/zinc/92/59/17/1049925917.db2.gz ZHOAFLGYXCWQCB-PZJWPPBQSA-N 2 0 325.500 4.057 20 30 EIEDRP N#CCC1CCC([N@@H+](Cc2ccc(F)cc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173332199 1050423514 /nfs/dbraw/zinc/42/35/14/1050423514.db2.gz JIQUDJSJLAHQCY-BXQDZUEOSA-N 2 0 343.490 4.370 20 30 EIEDRP C=CCOC1CCC([NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001173317401 1050441439 /nfs/dbraw/zinc/44/14/39/1050441439.db2.gz WSNFFEIOYWULFS-UHFFFAOYSA-N 2 0 334.548 4.135 20 30 EIEDRP CC1(C#N)CCC([NH+]2CCC3(C[NH+](Cc4ccccc4)C3)CC2)CC1 ZINC001173598928 1050499310 /nfs/dbraw/zinc/49/93/10/1050499310.db2.gz WAGINBBEGODSDV-UHFFFAOYSA-N 2 0 337.511 4.057 20 30 EIEDRP C[C@@H](C#N)Oc1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cc1 ZINC000185158456 1052495539 /nfs/dbraw/zinc/49/55/39/1052495539.db2.gz GXJUXFQHCFWIPF-SFHVURJKSA-N 2 0 343.515 4.112 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC)CC2)cc1 ZINC000764639712 1053244049 /nfs/dbraw/zinc/24/40/49/1053244049.db2.gz SKFVDUXAHBMFMG-INIZCTEOSA-N 2 0 336.907 4.343 20 30 EIEDRP C[C@@]1(C#N)CC[N@H+](CCCCCCCCC[NH+]2CC[C@](C)(C#N)C2)C1 ZINC000852687137 1053601072 /nfs/dbraw/zinc/60/10/72/1053601072.db2.gz PWBBOMWIRBZYRQ-OYRHEFFESA-N 2 0 344.547 4.188 20 30 EIEDRP C[C@@]1(C#N)CC[NH+](CCCCCCCCC[N@H+]2CC[C@@](C)(C#N)C2)C1 ZINC000852687139 1053601473 /nfs/dbraw/zinc/60/14/73/1053601473.db2.gz PWBBOMWIRBZYRQ-SFTDATJTSA-N 2 0 344.547 4.188 20 30 EIEDRP CCCCCCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000852761787 1053610037 /nfs/dbraw/zinc/61/00/37/1053610037.db2.gz APMYQNMHAYRQHP-UHFFFAOYSA-N 2 0 332.536 4.027 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196936788 1053808751 /nfs/dbraw/zinc/80/87/51/1053808751.db2.gz URFIWZIAIZBTQV-WIYYLYMNSA-N 2 0 325.500 4.206 20 30 EIEDRP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220904 1021921763 /nfs/dbraw/zinc/92/17/63/1021921763.db2.gz LEEULMLEQGTQEH-JTHBVZDNSA-N 2 0 347.506 4.164 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC2(C#N)CCCCC2)C1 ZINC001167425451 1022322778 /nfs/dbraw/zinc/32/27/78/1022322778.db2.gz RCMAXJQREMJCGX-PMACEKPBSA-N 2 0 331.548 4.437 20 30 EIEDRP Cc1cc(C#N)cc(C)c1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC001167505451 1025545110 /nfs/dbraw/zinc/54/51/10/1025545110.db2.gz SQFPDYOWGUTLCP-NRFANRHFSA-N 2 0 347.506 4.129 20 30 EIEDRP C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCC[NH+](CCCC(C)(C)C#N)CC1 ZINC000156954793 1028877422 /nfs/dbraw/zinc/87/74/22/1028877422.db2.gz LLEIMTJQXUMUAS-LJQANCHMSA-N 2 0 346.563 4.433 20 30 EIEDRP C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000584439178 1029870831 /nfs/dbraw/zinc/87/08/31/1029870831.db2.gz JBGAUNLFMYEDGS-YFXJRYMSSA-N 2 0 345.490 4.073 20 30 EIEDRP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658165153 1030862750 /nfs/dbraw/zinc/86/27/50/1030862750.db2.gz PVRVPGYOCRXLFL-LEWJYISDSA-N 2 0 327.516 4.018 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000531654861 1031447912 /nfs/dbraw/zinc/44/79/12/1031447912.db2.gz ADOWXTZZBUXGSR-SFHVURJKSA-N 2 0 325.500 4.035 20 30 EIEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(C#N)cc1F ZINC000512635832 1033575607 /nfs/dbraw/zinc/57/56/07/1033575607.db2.gz INYVNLPEXRSECO-IPJUCJBFSA-N 2 0 343.490 4.391 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)c1cccc(C#N)c1 ZINC000398121862 1034545569 /nfs/dbraw/zinc/54/55/69/1034545569.db2.gz HHALCFCDWPMKLQ-NPPFBWRTSA-N 2 0 333.479 4.119 20 30 EIEDRP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(C#N)cs2)C[N@@H+]1Cc1ccccc1 ZINC000513511360 1034990512 /nfs/dbraw/zinc/99/05/12/1034990512.db2.gz IUDVKIAOEOCRGQ-FUHWJXTLSA-N 2 0 339.508 4.010 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000595104721 1035587494 /nfs/dbraw/zinc/58/74/94/1035587494.db2.gz SJZAVTUJCSMIBA-QFIPXVFZSA-N 2 0 337.511 4.037 20 30 EIEDRP N#CC1CCC([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000602523934 1036480411 /nfs/dbraw/zinc/48/04/11/1036480411.db2.gz IRZHIVCBJPKSIC-UHFFFAOYSA-N 2 0 325.500 4.235 20 30 EIEDRP C=CCOc1cccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000589836595 1036880042 /nfs/dbraw/zinc/88/00/42/1036880042.db2.gz NFWZYZFZQHOFEI-KDURUIRLSA-N 2 0 330.516 4.099 20 30 EIEDRP C=CCOc1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000589836598 1036880120 /nfs/dbraw/zinc/88/01/20/1036880120.db2.gz NFWZYZFZQHOFEI-OALUTQOASA-N 2 0 330.516 4.099 20 30 EIEDRP C[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423036875 1037919969 /nfs/dbraw/zinc/91/99/69/1037919969.db2.gz VBXAILSPZSEHEM-CSZIGFGKSA-N 2 0 333.479 4.393 20 30 EIEDRP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594915667 1038427315 /nfs/dbraw/zinc/42/73/15/1038427315.db2.gz AXLDUTXBRSGMAN-UHFFFAOYSA-N 2 0 347.506 4.373 20 30 EIEDRP C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517863 1040971454 /nfs/dbraw/zinc/97/14/54/1040971454.db2.gz UXUDDLGNBORHDG-FYZZASKESA-N 2 0 339.527 4.205 20 30 EIEDRP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540708468 1041608136 /nfs/dbraw/zinc/60/81/36/1041608136.db2.gz WVHUJVNJPJGBAL-IXDOHACOSA-N 2 0 331.479 4.106 20 30 EIEDRP CC[NH+](CC)CC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000487398490 1043018472 /nfs/dbraw/zinc/01/84/72/1043018472.db2.gz WNLCZXNSZPOBOU-UHFFFAOYSA-N 2 0 327.516 4.042 20 30 EIEDRP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)cc2)CC1 ZINC000185768277 1043218769 /nfs/dbraw/zinc/21/87/69/1043218769.db2.gz JHSNOBKKEMETCM-RTWAWAEBSA-N 2 0 325.500 4.090 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000093844597 1044856880 /nfs/dbraw/zinc/85/68/80/1044856880.db2.gz CBQVUOGVTVXRKV-INIZCTEOSA-N 2 0 331.529 4.096 20 30 EIEDRP CC1CC[NH+](CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)CC1 ZINC000611390450 1045292718 /nfs/dbraw/zinc/29/27/18/1045292718.db2.gz BCFQXLRVGKABEZ-NRFANRHFSA-N 2 0 325.500 4.037 20 30 EIEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392046 1045297853 /nfs/dbraw/zinc/29/78/53/1045297853.db2.gz JHFDIASADIXZGQ-QFIPXVFZSA-N 2 0 333.479 4.177 20 30 EIEDRP C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272704109 1045809349 /nfs/dbraw/zinc/80/93/49/1045809349.db2.gz TVEABYPYRCTFKZ-HDMKZQKVSA-N 2 0 329.463 4.001 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000809618628 1048421745 /nfs/dbraw/zinc/42/17/45/1048421745.db2.gz MIIMGPRAOSNORZ-UHFFFAOYSA-N 2 0 332.491 4.334 20 30 EIEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)C1CC[NH+](C2CCCCC2)CC1 ZINC001171231421 1048871366 /nfs/dbraw/zinc/87/13/66/1048871366.db2.gz JNURGGNTTGKDTO-SFHVURJKSA-N 2 0 339.527 4.218 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000813790142 1049817770 /nfs/dbraw/zinc/81/77/70/1049817770.db2.gz JFILZCYPHXUSCS-SEJPIABJSA-N 2 0 339.527 4.492 20 30 EIEDRP C#Cc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC001171983006 1049839303 /nfs/dbraw/zinc/83/93/03/1049839303.db2.gz LVJSDHGWZQAJHC-QFIPXVFZSA-N 2 0 332.491 4.201 20 30 EIEDRP N#CC[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC001172075029 1049844210 /nfs/dbraw/zinc/84/42/10/1049844210.db2.gz NLPUCYDBKZPCRR-YUMYIRISSA-N 2 0 337.511 4.198 20 30 EIEDRP C[C@H](CCCC#N)[N@H+]([C@@H]1C[C@H]1c1ccccc1)C1CCC([NH3+])CC1 ZINC001172482917 1049909650 /nfs/dbraw/zinc/90/96/50/1049909650.db2.gz AXFSETKGZZBCGX-SREGSLNRSA-N 2 0 325.500 4.197 20 30 EIEDRP CCCCCCCC[C@H](CC)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001172505253 1049924584 /nfs/dbraw/zinc/92/45/84/1049924584.db2.gz KYSAIYZRVDBKIY-FQEVSTJZSA-N 2 0 337.596 4.227 20 30 EIEDRP CCCCCCC[C@@H](CCC)[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001172510949 1049926570 /nfs/dbraw/zinc/92/65/70/1049926570.db2.gz KNRWUXJQYLZQTA-HXUWFJFHSA-N 2 0 325.585 4.085 20 30 EIEDRP C=CCN1CCC([NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091334225 1050253728 /nfs/dbraw/zinc/25/37/28/1050253728.db2.gz NXQZJIVHLWUEEJ-SFHVURJKSA-N 2 0 349.316 4.140 20 30 EIEDRP CC[NH+](CC)C1CCC([NH+]2CCC(c3cccc(C#N)c3)CC2)CC1 ZINC001173112003 1050310598 /nfs/dbraw/zinc/31/05/98/1050310598.db2.gz OTTVFFKLWBQQMR-UHFFFAOYSA-N 2 0 339.527 4.391 20 30 EIEDRP CC[C@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173268727 1050389643 /nfs/dbraw/zinc/38/96/43/1050389643.db2.gz CFQCWGLJCNKHQJ-FIRPJDEBSA-N 2 0 325.500 4.209 20 30 EIEDRP C=CCOC1CCC([NH2+]CC2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001173316950 1050438868 /nfs/dbraw/zinc/43/88/68/1050438868.db2.gz PNWIULOIGUMKOR-UHFFFAOYSA-N 2 0 348.575 4.382 20 30 EIEDRP CC1(C#N)CCC([NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CC1 ZINC001173591899 1050497313 /nfs/dbraw/zinc/49/73/13/1050497313.db2.gz WTCYYASUFSTZTH-UHFFFAOYSA-N 2 0 343.490 4.100 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000618801684 1050520485 /nfs/dbraw/zinc/52/04/85/1050520485.db2.gz BRJLGPRUFGRRIB-AMHTUMDSSA-N 2 0 345.490 4.046 20 30 EIEDRP C=CC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194346 1051495492 /nfs/dbraw/zinc/49/54/92/1051495492.db2.gz XJQZDDHYOHQRBV-KAOXLYBCSA-N 2 0 347.506 4.484 20 30 EIEDRP CC[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(C#N)cc1 ZINC000774215674 1051515199 /nfs/dbraw/zinc/51/51/99/1051515199.db2.gz BYPFCGDEASUZFQ-XVAXZDLZSA-N 2 0 325.500 4.396 20 30 EIEDRP CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000386042716 1053572401 /nfs/dbraw/zinc/57/24/01/1053572401.db2.gz ZZDBJQRFTYVLPH-LEWJYISDSA-N 2 0 339.527 4.160 20 30 EIEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123020281 1054077581 /nfs/dbraw/zinc/07/75/81/1054077581.db2.gz UOZJYPNLDZZXGS-IBGZPJMESA-N 2 0 348.490 4.145 20 30 EIEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc1 ZINC000123924866 1054363374 /nfs/dbraw/zinc/36/33/74/1054363374.db2.gz SLMNCDZAJLITES-SFHVURJKSA-N 2 0 336.479 4.001 20 30 EIEDRP C=CC[C@H]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)C1 ZINC001199884167 1054491441 /nfs/dbraw/zinc/49/14/41/1054491441.db2.gz ONOYJRTYKJSNBP-RXVVDRJESA-N 2 0 342.527 4.242 20 30 EIEDRP CCCCCCCCC[N@H+]1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001201840211 1054935004 /nfs/dbraw/zinc/93/50/04/1054935004.db2.gz WXISGDQONZKGDV-UHFFFAOYSA-N 2 0 346.563 4.088 20 30 EIEDRP CCCCCCCCCCN1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC001201874859 1054941278 /nfs/dbraw/zinc/94/12/78/1054941278.db2.gz JNKGSBCLFZWDFP-UHFFFAOYSA-N 2 0 337.596 4.087 20 30 EIEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1 ZINC001168602707 1055106226 /nfs/dbraw/zinc/10/62/26/1055106226.db2.gz VXJWKIAZXFQBPA-HBMCJLEFSA-N 2 0 327.516 4.294 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176947881 1020938544 /nfs/dbraw/zinc/93/85/44/1020938544.db2.gz ZYXIHLYSUMPRHO-MRXNPFEDSA-N 2 0 339.508 4.284 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000176948079 1020938588 /nfs/dbraw/zinc/93/85/88/1020938588.db2.gz YHNXDMOZRNOAGL-UHFFFAOYSA-N 2 0 339.508 4.141 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cc(C#N)cs2)cc1 ZINC000177685381 1021442150 /nfs/dbraw/zinc/44/21/50/1021442150.db2.gz IAYKDBICOQCFAU-MRXNPFEDSA-N 2 0 339.508 4.284 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000541088668 1023162715 /nfs/dbraw/zinc/16/27/15/1023162715.db2.gz OFBXVRYGMCURBE-GOSISDBHSA-N 2 0 327.516 4.453 20 30 EIEDRP C=CCOc1ccc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc1Cl ZINC000415052809 1023411209 /nfs/dbraw/zinc/41/12/09/1023411209.db2.gz LKNMGEPJYOKREW-LJQANCHMSA-N 2 0 344.886 4.475 20 30 EIEDRP C=CCC[C@@H](CCC)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000581681757 1023588803 /nfs/dbraw/zinc/58/88/03/1023588803.db2.gz GUGYUBOUYSUMAK-LJQANCHMSA-N 2 0 330.516 4.384 20 30 EIEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187689110 1025095847 /nfs/dbraw/zinc/09/58/47/1025095847.db2.gz RIXDLCPGFLEXPG-RXVVDRJESA-N 2 0 333.479 4.073 20 30 EIEDRP CC[NH+](CC)CCC[C@H](C)[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001167841744 1025887964 /nfs/dbraw/zinc/88/79/64/1025887964.db2.gz QBZMVNHCWSCSHM-FQEVSTJZSA-N 2 0 326.528 4.261 20 30 EIEDRP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)C2)C1 ZINC000550237906 1026388603 /nfs/dbraw/zinc/38/86/03/1026388603.db2.gz FJEQXORTBCZGMF-HSZRJFAPSA-N 2 0 345.490 4.143 20 30 EIEDRP C=CCOc1ccc(C[NH2+]CC2CC[NH+](CCC)CC2)cc1Cl ZINC000520214450 1027329948 /nfs/dbraw/zinc/32/99/48/1027329948.db2.gz HMKDWFMZCWFEIV-UHFFFAOYSA-N 2 0 336.907 4.116 20 30 EIEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179396088 1031047425 /nfs/dbraw/zinc/04/74/25/1031047425.db2.gz HHJCNYAXSVPKHY-GOSISDBHSA-N 2 0 348.494 4.253 20 30 EIEDRP C[C@@H](NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccc(C#N)cc1 ZINC000532465342 1031125214 /nfs/dbraw/zinc/12/52/14/1031125214.db2.gz YVUUJOHROUJZFL-LZJOCLMNSA-N 2 0 325.500 4.252 20 30 EIEDRP N#Cc1ccccc1-c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000532581792 1031314439 /nfs/dbraw/zinc/31/44/39/1031314439.db2.gz NBXQBAXARGMQHK-FQEVSTJZSA-N 2 0 345.490 4.143 20 30 EIEDRP C[C@@H](CCC#N)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596592268 1035907549 /nfs/dbraw/zinc/90/75/49/1035907549.db2.gz LVELMNHANVKZRE-RXVVDRJESA-N 2 0 339.527 4.301 20 30 EIEDRP CC1(C)C[N@H+](CCCCC#N)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593688 1035909572 /nfs/dbraw/zinc/90/95/72/1035909572.db2.gz GZKWWESBFHIGQR-NRFANRHFSA-N 2 0 339.527 4.303 20 30 EIEDRP CC1(C)C[N@H+](CCCCC#N)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596593691 1035910037 /nfs/dbraw/zinc/91/00/37/1035910037.db2.gz GZKWWESBFHIGQR-OAQYLSRUSA-N 2 0 339.527 4.303 20 30 EIEDRP N#CC1CCC([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000602538415 1036490277 /nfs/dbraw/zinc/49/02/77/1036490277.db2.gz LUSITMXXZYUMHZ-UHFFFAOYSA-N 2 0 345.918 4.224 20 30 EIEDRP N#CCCCC[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602864707 1036647358 /nfs/dbraw/zinc/64/73/58/1036647358.db2.gz SQAOYUIUEFCIHZ-UHFFFAOYSA-N 2 0 325.500 4.058 20 30 EIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000589336709 1036737697 /nfs/dbraw/zinc/73/76/97/1036737697.db2.gz FKVNNNXAWZCWQG-QFIPXVFZSA-N 2 0 333.479 4.176 20 30 EIEDRP N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000423020219 1037902620 /nfs/dbraw/zinc/90/26/20/1037902620.db2.gz ZHYYZTOJEKNCDV-YTFSRNRJSA-N 2 0 345.490 4.236 20 30 EIEDRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000594495751 1038347352 /nfs/dbraw/zinc/34/73/52/1038347352.db2.gz VHSIELSVFNSWQH-UHFFFAOYSA-N 2 0 327.516 4.089 20 30 EIEDRP CCCC[NH+]1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481916700 1039893080 /nfs/dbraw/zinc/89/30/80/1039893080.db2.gz HAPZIEAKVDUICS-OAQYLSRUSA-N 2 0 325.500 4.180 20 30 EIEDRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(C#N)c(F)c1 ZINC000539610301 1040607861 /nfs/dbraw/zinc/60/78/61/1040607861.db2.gz UTVTYSNRMLQTSK-DZIBYMRMSA-N 2 0 343.490 4.391 20 30 EIEDRP N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000463295327 1041480693 /nfs/dbraw/zinc/48/06/93/1041480693.db2.gz ZSGVVFFRMUGXPQ-SFTDATJTSA-N 2 0 325.500 4.235 20 30 EIEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000463288909 1041488417 /nfs/dbraw/zinc/48/84/17/1041488417.db2.gz RABIESTUOBOGFS-GHTZIAJQSA-N 2 0 325.500 4.235 20 30 EIEDRP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271967912 1042592765 /nfs/dbraw/zinc/59/27/65/1042592765.db2.gz WBLDNIFTTMTBQL-MRXNPFEDSA-N 2 0 337.442 4.144 20 30 EIEDRP N#Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000439436634 1042624511 /nfs/dbraw/zinc/62/45/11/1042624511.db2.gz ITTRREKOLZNSOY-UHFFFAOYSA-N 2 0 345.918 4.300 20 30 EIEDRP C=CC[N@H+]1CCC[C@@H]1c1ccc(N(C(N)=[NH2+])c2ccc(F)cc2)cc1 ZINC001168001419 1042851971 /nfs/dbraw/zinc/85/19/71/1042851971.db2.gz YFVUCTGMOGPQDQ-LJQANCHMSA-N 2 0 338.430 4.180 20 30 EIEDRP N#C[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000185817441 1043222907 /nfs/dbraw/zinc/22/29/07/1043222907.db2.gz JKBMJMSVMKLDFY-MJGOQNOKSA-N 2 0 345.918 4.224 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000611390239 1045302705 /nfs/dbraw/zinc/30/27/05/1045302705.db2.gz LMZDCQOKMZLKBJ-HSZRJFAPSA-N 2 0 345.490 4.321 20 30 EIEDRP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141150 1048343334 /nfs/dbraw/zinc/34/33/34/1048343334.db2.gz ZHNGJIZRQIZRED-KEIZBESESA-N 2 0 345.490 4.404 20 30 EIEDRP [NH2+]=C(Nc1ccc([C@@H]2CCC[NH2+]C2)cc1)c1ccc2cc(O)ccc2c1 ZINC001171186574 1048677740 /nfs/dbraw/zinc/67/77/40/1048677740.db2.gz VKDSCQOSEBKXMT-LJQANCHMSA-N 2 0 345.446 4.049 20 30 EIEDRP C[C@@H](Cc1cccc(C#N)c1)[N@H+](CC(C)(C)C)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171197850 1048730717 /nfs/dbraw/zinc/73/07/17/1048730717.db2.gz DJHINIDQOVGVIO-VDGAXYAQSA-N 2 0 327.516 4.107 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000817587464 1049016936 /nfs/dbraw/zinc/01/69/36/1049016936.db2.gz YBCJPRJNLREPMR-FAEJEUNOSA-N 2 0 336.907 4.341 20 30 EIEDRP C#Cc1ccc(C[NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172073600 1049844032 /nfs/dbraw/zinc/84/40/32/1049844032.db2.gz SADLUBRYZHTBSG-BKFWDETESA-N 2 0 344.502 4.343 20 30 EIEDRP CC[C@H](CC(C)C)[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172403011 1049899358 /nfs/dbraw/zinc/89/93/58/1049899358.db2.gz YEZWDQDDYROGMT-NJDAHSKKSA-N 2 0 327.516 4.455 20 30 EIEDRP C[C@@H](CCCC#N)[NH+]1CCC2(CC[C@H]2[N@H+](C)Cc2ccco2)CC1 ZINC001172496498 1049922041 /nfs/dbraw/zinc/92/20/41/1049922041.db2.gz NAVTXZMJALPLAJ-PKOBYXMFSA-N 2 0 329.488 4.038 20 30 EIEDRP CCCCCCCC[C@H](CC)[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001172503432 1049924645 /nfs/dbraw/zinc/92/46/45/1049924645.db2.gz RBHBJBIWKVQSTQ-FQEVSTJZSA-N 2 0 325.585 4.131 20 30 EIEDRP C[C@@H](CCCC#N)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC001172507057 1049925432 /nfs/dbraw/zinc/92/54/32/1049925432.db2.gz OHKLCGRRCTXZMM-IBGZPJMESA-N 2 0 325.500 4.057 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248859618 1050081007 /nfs/dbraw/zinc/08/10/07/1050081007.db2.gz PPRCWTFKJJPZNS-DBXWQHBBSA-N 2 0 325.500 4.233 20 30 EIEDRP C=CCN1CCC([NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091334224 1050252430 /nfs/dbraw/zinc/25/24/30/1050252430.db2.gz NXQZJIVHLWUEEJ-GOSISDBHSA-N 2 0 349.316 4.140 20 30 EIEDRP CCCCCCCCC[C@H](CCC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001173284722 1050413191 /nfs/dbraw/zinc/41/31/91/1050413191.db2.gz IGICLLXKRVRABT-FQEVSTJZSA-N 2 0 337.596 4.227 20 30 EIEDRP C=CCOC1CCC([NH+]2CCC(CC3CC[NH+](CC)CC3)CC2)CC1 ZINC001173322915 1050414922 /nfs/dbraw/zinc/41/49/22/1050414922.db2.gz PSCJXQNSAMUOLV-UHFFFAOYSA-N 2 0 348.575 4.334 20 30 EIEDRP N#CCC1CCC([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001173332057 1050422197 /nfs/dbraw/zinc/42/21/97/1050422197.db2.gz HBUGIGYHBNBADP-UHFFFAOYSA-N 2 0 331.891 4.062 20 30 EIEDRP N#CCC1CCC([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173337324 1050427929 /nfs/dbraw/zinc/42/79/29/1050427929.db2.gz HKHPMPIJGDVCSH-KITAHSCOSA-N 2 0 337.511 4.057 20 30 EIEDRP C=CCOC1CCC([N@@H+](Cc2ccccc2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173318905 1050441835 /nfs/dbraw/zinc/44/18/35/1050441835.db2.gz PJJGZIHLNVGXKX-IJDVVPKISA-N 2 0 342.527 4.272 20 30 EIEDRP C=CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194343 1051495119 /nfs/dbraw/zinc/49/51/19/1051495119.db2.gz XJQZDDHYOHQRBV-BJESRGMDSA-N 2 0 347.506 4.484 20 30 EIEDRP CC(C)(C#N)CCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000386042717 1053573449 /nfs/dbraw/zinc/57/34/49/1053573449.db2.gz ZZDBJQRFTYVLPH-NHCUHLMSSA-N 2 0 339.527 4.160 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3csc(C#N)c3)cc2)C1 ZINC000921528787 1053700755 /nfs/dbraw/zinc/70/07/55/1053700755.db2.gz IXHARXQBHVNUNS-INIZCTEOSA-N 2 0 339.508 4.141 20 30 EIEDRP C[C@@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776741074 1053815971 /nfs/dbraw/zinc/81/59/71/1053815971.db2.gz CGDZNDWUNDFPIA-VNCLNFNDSA-N 2 0 329.463 4.145 20 30 EIEDRP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3ccc(C#N)s3)c2)CC1(C)C ZINC000858143459 1054423141 /nfs/dbraw/zinc/42/31/41/1054423141.db2.gz KNZGRWFTSDDRMU-QGZVFWFLSA-N 2 0 339.508 4.249 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000174376579 1022064469 /nfs/dbraw/zinc/06/44/69/1022064469.db2.gz YGDKIAZVVRTRDG-IHWFROFDSA-N 2 0 325.500 4.102 20 30 EIEDRP C[C@H](NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1 ZINC000378444915 1022823261 /nfs/dbraw/zinc/82/32/61/1022823261.db2.gz YVRNDROJHKWWTN-RYRKJORJSA-N 2 0 339.508 4.181 20 30 EIEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(Cc2ccc(C#N)cc2)CC1 ZINC001167824691 1025586048 /nfs/dbraw/zinc/58/60/48/1025586048.db2.gz FKNJGGSSSXHCQM-LJQANCHMSA-N 2 0 341.543 4.323 20 30 EIEDRP C=CCN1CCC([NH2+][C@@H]2CCCOc3c(C(C)C)cccc32)CC1 ZINC000431339872 1026036576 /nfs/dbraw/zinc/03/65/76/1026036576.db2.gz ZKXKBOCTNWCUSG-HXUWFJFHSA-N 2 0 328.500 4.264 20 30 EIEDRP C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000187724014 1026300117 /nfs/dbraw/zinc/30/01/17/1026300117.db2.gz CFYGOXWLAKNLBE-SFHVURJKSA-N 2 0 348.494 4.253 20 30 EIEDRP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512279578 1026644720 /nfs/dbraw/zinc/64/47/20/1026644720.db2.gz FXRVEYYQYTURET-MRXNPFEDSA-N 2 0 339.458 4.388 20 30 EIEDRP C[NH+](C)CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(C)(C)C ZINC000519796148 1026994737 /nfs/dbraw/zinc/99/47/37/1026994737.db2.gz YJNRAHHRTPQSHK-INIZCTEOSA-N 2 0 341.421 4.033 20 30 EIEDRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCCCC(C)(C)C#N ZINC000444689966 1027974979 /nfs/dbraw/zinc/97/49/79/1027974979.db2.gz PZEFVTPGFPTRCM-RTBURBONSA-N 2 0 341.543 4.453 20 30 EIEDRP C=CCCSCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000595060166 1035542108 /nfs/dbraw/zinc/54/21/08/1035542108.db2.gz SZDMKMRSWZEFPG-OWZKRDHZSA-N 2 0 330.541 4.081 20 30 EIEDRP C[N@H+](Cc1ccccc1C[NH2+]Cc1cccc(C#N)n1)C1CCCCC1 ZINC000602518889 1036473509 /nfs/dbraw/zinc/47/35/09/1036473509.db2.gz SFHKKVTWEKYINR-UHFFFAOYSA-N 2 0 348.494 4.008 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602515121 1036474547 /nfs/dbraw/zinc/47/45/47/1036474547.db2.gz MXFJJSPPBLSWPE-XPQZIERPSA-N 2 0 325.500 4.090 20 30 EIEDRP C[C@@H](CCC#N)C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000602511836 1036485481 /nfs/dbraw/zinc/48/54/81/1036485481.db2.gz RRUQUKGJBLJAKS-SFHVURJKSA-N 2 0 335.495 4.445 20 30 EIEDRP C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000589300650 1036723733 /nfs/dbraw/zinc/72/37/33/1036723733.db2.gz WCSIRDVCNIAGQQ-YFXJRYMSSA-N 2 0 345.490 4.073 20 30 EIEDRP CC[N@H+](CCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1)CC1CC1 ZINC000484054918 1041099264 /nfs/dbraw/zinc/09/92/64/1041099264.db2.gz GMEBZHSDJYEXNF-UHFFFAOYSA-N 2 0 343.490 4.031 20 30 EIEDRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000463285026 1041475660 /nfs/dbraw/zinc/47/56/60/1041475660.db2.gz SKKVPNVUPRWQKG-VQQMMKBISA-N 2 0 339.527 4.336 20 30 EIEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000463295324 1041480931 /nfs/dbraw/zinc/48/09/31/1041480931.db2.gz ZSGVVFFRMUGXPQ-LEWJYISDSA-N 2 0 325.500 4.235 20 30 EIEDRP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000464770628 1042149074 /nfs/dbraw/zinc/14/90/74/1042149074.db2.gz BQQWDKYNJPYEQP-HXUWFJFHSA-N 2 0 347.506 4.389 20 30 EIEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464860779 1042205229 /nfs/dbraw/zinc/20/52/29/1042205229.db2.gz ZUUOMNODECWWKM-WIYYLYMNSA-N 2 0 333.479 4.073 20 30 EIEDRP C(#CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1)c1ccccc1 ZINC001168004335 1042916476 /nfs/dbraw/zinc/91/64/76/1042916476.db2.gz SYIISOLTJBMKER-VSGJHWFKSA-N 2 0 348.534 4.156 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C#N)C3)c2)CC1 ZINC000185821775 1043223023 /nfs/dbraw/zinc/22/30/23/1043223023.db2.gz AKPIJSCCOZLRDK-WIYYLYMNSA-N 2 0 325.500 4.090 20 30 EIEDRP C=CCOc1ccccc1C[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000521817157 1044005874 /nfs/dbraw/zinc/00/58/74/1044005874.db2.gz YUBCYLAWZNZIES-KDURUIRLSA-N 2 0 330.516 4.099 20 30 EIEDRP C#Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC001168019153 1044337606 /nfs/dbraw/zinc/33/76/06/1044337606.db2.gz GXJFUHYOFPBQNU-BBIADKPPSA-N 2 0 332.491 4.199 20 30 EIEDRP C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC001168021585 1044444719 /nfs/dbraw/zinc/44/47/19/1044444719.db2.gz QKHOVNWRVYSUSQ-BBIADKPPSA-N 2 0 332.491 4.199 20 30 EIEDRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390739 1045297501 /nfs/dbraw/zinc/29/75/01/1045297501.db2.gz RIPKCLOIGFIXEO-UWJYYQICSA-N 2 0 325.500 4.037 20 30 EIEDRP C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000716715719 1049703922 /nfs/dbraw/zinc/70/39/22/1049703922.db2.gz XQUJAANLTBSXSE-TZMOSPSESA-N 2 0 345.490 4.262 20 30 EIEDRP Cc1ccc(C(=[NH2+])N[C@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1C ZINC001171980104 1049838469 /nfs/dbraw/zinc/83/84/69/1049838469.db2.gz SMJURYFACOTPRE-NRFANRHFSA-N 2 0 349.522 4.452 20 30 EIEDRP N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC001172064887 1049851859 /nfs/dbraw/zinc/85/18/59/1049851859.db2.gz IARXKJOPRGOCHP-WBDAEOGXSA-N 2 0 345.490 4.234 20 30 EIEDRP CC(C)(CCC#N)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246437882 1049973569 /nfs/dbraw/zinc/97/35/69/1049973569.db2.gz NFECZAHYKNSFAD-LEWJYISDSA-N 2 0 339.527 4.303 20 30 EIEDRP CC(NCc1cccc(C[NH3+])c1)=[NH+][C@H](C)Cc1c(F)cccc1Cl ZINC001172847342 1050185841 /nfs/dbraw/zinc/18/58/41/1050185841.db2.gz CQDGTZOUSOTXAZ-CYBMUJFWSA-N 2 0 347.865 4.077 20 30 EIEDRP CC[C@@H]1CC[C@@H]([N@H+](Cc2ccc(C#N)cc2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173271417 1050392527 /nfs/dbraw/zinc/39/25/27/1050392527.db2.gz QGDNXDUKCFUTQF-QYRPDUKASA-N 2 0 325.500 4.209 20 30 EIEDRP N#CCC1CCC([NH+]2CCC3(CC[N@H+](Cc4ccoc4)C3)CC2)CC1 ZINC001173335532 1050425540 /nfs/dbraw/zinc/42/55/40/1050425540.db2.gz PVLLACUGXSUVSX-UHFFFAOYSA-N 2 0 341.499 4.040 20 30 EIEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(c3cccc(Cl)c3)CC2)CC1 ZINC001173317162 1050438481 /nfs/dbraw/zinc/43/84/81/1050438481.db2.gz BUESQFPRHXXHOC-UHFFFAOYSA-N 2 0 348.918 4.104 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000619465922 1050789094 /nfs/dbraw/zinc/78/90/94/1050789094.db2.gz HYVYPFDOSLLCMZ-OFNKIYASSA-N 2 0 345.490 4.047 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000067668261 521025341 /nfs/dbraw/zinc/02/53/41/521025341.db2.gz GSXAWFYTOHOKCZ-UHFFFAOYSA-N 2 0 333.479 4.080 20 30 EIEDRP N#Cc1csc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)c1 ZINC000177699879 1021550809 /nfs/dbraw/zinc/55/08/09/1021550809.db2.gz OKCIYIQOQGURQG-UHFFFAOYSA-N 2 0 339.508 4.286 20 30 EIEDRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000311065495 1022848506 /nfs/dbraw/zinc/84/85/06/1022848506.db2.gz XZENSHBJDREWAS-GHTZIAJQSA-N 2 0 333.479 4.121 20 30 EIEDRP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000582220903 1026342656 /nfs/dbraw/zinc/34/26/56/1026342656.db2.gz LEEULMLEQGTQEH-GMAHTHKFSA-N 2 0 347.506 4.164 20 30 EIEDRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)ccc1OC ZINC000840786586 1029285914 /nfs/dbraw/zinc/28/59/14/1029285914.db2.gz SNCPNMNUSSUNMU-MRXNPFEDSA-N 2 0 331.504 4.127 20 30 EIEDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000449301080 1031609082 /nfs/dbraw/zinc/60/90/82/1031609082.db2.gz GMLHMXJTTUXRJH-PELRDEGISA-N 2 0 339.527 4.002 20 30 EIEDRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000449327413 1031622827 /nfs/dbraw/zinc/62/28/27/1031622827.db2.gz BFPAYNQFKKIVCF-SFHVURJKSA-N 2 0 327.516 4.002 20 30 EIEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453292663 1031811928 /nfs/dbraw/zinc/81/19/28/1031811928.db2.gz OGPIFXUJWUPIFG-XBJCXQGOSA-N 2 0 337.511 4.102 20 30 EIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924563 1038430119 /nfs/dbraw/zinc/43/01/19/1038430119.db2.gz JTVSSVBVNIFSAY-UHFFFAOYSA-N 2 0 347.506 4.372 20 30 EIEDRP C(#Cc1ccccc1)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000484086508 1041119073 /nfs/dbraw/zinc/11/90/73/1041119073.db2.gz OTLJDQPHJPFFAY-UHFFFAOYSA-N 2 0 344.502 4.026 20 30 EIEDRP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(C#N)c(F)c1 ZINC000540708467 1041607452 /nfs/dbraw/zinc/60/74/52/1041607452.db2.gz WVHUJVNJPJGBAL-BRWVUGGUSA-N 2 0 331.479 4.106 20 30 EIEDRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(C#N)c(F)c1 ZINC000271967910 1042591681 /nfs/dbraw/zinc/59/16/81/1042591681.db2.gz WBLDNIFTTMTBQL-INIZCTEOSA-N 2 0 337.442 4.144 20 30 EIEDRP Cc1cc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)ccc1C#N ZINC000443992889 1042727550 /nfs/dbraw/zinc/72/75/50/1042727550.db2.gz HUGSPQDLUCFTTE-AZUAARDMSA-N 2 0 339.508 4.101 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C#N)C3)cc2)C1 ZINC000185779126 1043219496 /nfs/dbraw/zinc/21/94/96/1043219496.db2.gz IOTXUULZYLNZMI-JRGCBEDISA-N 2 0 325.500 4.090 20 30 EIEDRP C[C@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390737 1045297971 /nfs/dbraw/zinc/29/79/71/1045297971.db2.gz RIPKCLOIGFIXEO-LAUBAEHRSA-N 2 0 325.500 4.037 20 30 EIEDRP CC1(C)CC([NH3+])CC(C)(C)[NH+]1C1CCC(C#N)(c2ccccc2)CC1 ZINC001170359385 1046014060 /nfs/dbraw/zinc/01/40/60/1046014060.db2.gz UQXUUQZUUZHXRK-UHFFFAOYSA-N 2 0 339.527 4.371 20 30 EIEDRP C#CCN(C)CCC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000815652610 1048575910 /nfs/dbraw/zinc/57/59/10/1048575910.db2.gz JOSRHZCIMQVDSW-MRXNPFEDSA-N 2 0 341.524 4.033 20 30 EIEDRP CC1(C)C[C@H]([NH+]2CCC(CC#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171980083 1049838554 /nfs/dbraw/zinc/83/85/54/1049838554.db2.gz DAUWKHWDTQAFDE-HXUWFJFHSA-N 2 0 325.500 4.055 20 30 EIEDRP C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303762 1049873861 /nfs/dbraw/zinc/87/38/61/1049873861.db2.gz DXNYXKTYYLSLIF-LRQRDZAKSA-N 2 0 325.500 4.004 20 30 EIEDRP CCCCCCC[C@H](CC)[NH2+][C@@H](CCC[NH3+])NC(=O)OC(C)(C)C ZINC001172351843 1049892400 /nfs/dbraw/zinc/89/24/00/1049892400.db2.gz WRZXGHZUSZAOSA-DLBZAZTESA-N 2 0 343.556 4.305 20 30 EIEDRP C[C@H](CCCC#N)[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172508845 1049925197 /nfs/dbraw/zinc/92/51/97/1049925197.db2.gz HVWVJZZGSKXSEC-HXUWFJFHSA-N 2 0 339.527 4.447 20 30 EIEDRP CC[C@@H]1CC[C@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C1 ZINC001173268731 1050390061 /nfs/dbraw/zinc/39/00/61/1050390061.db2.gz CFQCWGLJCNKHQJ-OTNPHJDUSA-N 2 0 325.500 4.209 20 30 EIEDRP N#CCC1CCC([N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173337325 1050428540 /nfs/dbraw/zinc/42/85/40/1050428540.db2.gz HKHPMPIJGDVCSH-VTLFHKLASA-N 2 0 337.511 4.057 20 30 EIEDRP C=CCOC1CCC([N@@H+](CC2CCCC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173317346 1050441700 /nfs/dbraw/zinc/44/17/00/1050441700.db2.gz GBMUREWPQFOSJO-GOHCJOFJSA-N 2 0 334.548 4.262 20 30 EIEDRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(C#N)cc1 ZINC000182065963 1050455381 /nfs/dbraw/zinc/45/53/81/1050455381.db2.gz SNLZVEJUTLRQSJ-RPCJCACASA-N 2 0 325.500 4.252 20 30 EIEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(Cc3cccc(Cl)c3)CC2)CC1 ZINC001173591190 1050494683 /nfs/dbraw/zinc/49/46/83/1050494683.db2.gz KGACNLJGSZWZFF-UHFFFAOYSA-N 2 0 345.918 4.148 20 30 EIEDRP CC1(C#N)CCC([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001173591050 1050495179 /nfs/dbraw/zinc/49/51/79/1050495179.db2.gz IBGFEANVJILKBK-UHFFFAOYSA-N 2 0 345.918 4.148 20 30 EIEDRP CC[NH+]1CCC(CC2CC[NH+](C3CCC(C)(C#N)CC3)CC2)CC1 ZINC001173601602 1050501470 /nfs/dbraw/zinc/50/14/70/1050501470.db2.gz WNUUOHNATLBNBN-UHFFFAOYSA-N 2 0 331.548 4.293 20 30 EIEDRP C#CC[C@@H]1CC[NH+](C[C@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068929 1051903917 /nfs/dbraw/zinc/90/39/17/1051903917.db2.gz FLBQJGQXMCMCPF-QPPBQGQZSA-N 2 0 346.518 4.247 20 30 EIEDRP C#CCOc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000764960034 1053399868 /nfs/dbraw/zinc/39/98/68/1053399868.db2.gz BOXVAJJCVFUTLH-RTBURBONSA-N 2 0 328.500 4.004 20 30 EIEDRP C#CCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000123020499 1054077394 /nfs/dbraw/zinc/07/73/94/1054077394.db2.gz UOZJYPNLDZZXGS-LJQANCHMSA-N 2 0 348.490 4.145 20 30 EIEDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000091412100 1056104251 /nfs/dbraw/zinc/10/42/51/1056104251.db2.gz USAMYIRUSQPIEN-JLHGSKIFSA-N 2 0 333.479 4.044 20 30 EIEDRP C=CCOc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000511486043 1021883999 /nfs/dbraw/zinc/88/39/99/1021883999.db2.gz AROGDQZHMYFMDO-UHFFFAOYSA-N 2 0 336.907 4.069 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000561130752 1022075229 /nfs/dbraw/zinc/07/52/29/1022075229.db2.gz HLSVPFSXEBDUCR-JOCHJYFZSA-N 2 0 337.511 4.322 20 30 EIEDRP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1ccc(C#N)cc1 ZINC000584779951 1023311010 /nfs/dbraw/zinc/31/10/10/1023311010.db2.gz XYEGPCOCRAPGQP-XMSQKQJNSA-N 2 0 345.490 4.406 20 30 EIEDRP CC(C)[NH+](CCC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C(C)C ZINC000507615209 1026855577 /nfs/dbraw/zinc/85/55/77/1026855577.db2.gz XXGZVEFKCMNTMC-UHFFFAOYSA-N 2 0 341.543 4.489 20 30 EIEDRP C=CC[C@@H]1[N@H+](Cc2nc3c(s2)CN(C(C)C)CC3)CCCC1(C)C ZINC000446828504 1029593539 /nfs/dbraw/zinc/59/35/39/1029593539.db2.gz VJKATQHHAMVIFN-SFHVURJKSA-N 2 0 347.572 4.476 20 30 EIEDRP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)s2)C[N@@H+]1Cc1ccccc1 ZINC000513493847 1034987082 /nfs/dbraw/zinc/98/70/82/1034987082.db2.gz CTZFNFWVWBRLER-AEFFLSMTSA-N 2 0 339.508 4.010 20 30 EIEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423191068 1038046171 /nfs/dbraw/zinc/04/61/71/1038046171.db2.gz SKKSYVWTZYHDBC-NWSQWKLXSA-N 2 0 348.490 4.019 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000592470959 1038066363 /nfs/dbraw/zinc/06/63/63/1038066363.db2.gz PLDWBDSECIDOON-RAKGIWIYSA-N 2 0 345.490 4.264 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000423508576 1038257220 /nfs/dbraw/zinc/25/72/20/1038257220.db2.gz KVSVEHUEZXNFKW-VXKWHMMOSA-N 2 0 333.479 4.396 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000423508577 1038258292 /nfs/dbraw/zinc/25/82/92/1038258292.db2.gz KVSVEHUEZXNFKW-YADHBBJMSA-N 2 0 333.479 4.396 20 30 EIEDRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594493970 1038342565 /nfs/dbraw/zinc/34/25/65/1038342565.db2.gz COXASLAHKLEMOA-SFHVURJKSA-N 2 0 327.516 4.089 20 30 EIEDRP C[NH+](C)CC1CCC([NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC000538427284 1041331406 /nfs/dbraw/zinc/33/14/06/1041331406.db2.gz JDLWSRMEZDSNDP-UHFFFAOYSA-N 2 0 339.527 4.101 20 30 EIEDRP CC[NH+](CC)CCCC1CC[NH+](Cc2cc(C#N)ccc2F)CC1 ZINC000541089098 1041806407 /nfs/dbraw/zinc/80/64/07/1041806407.db2.gz JOIGDUGINIBGMY-UHFFFAOYSA-N 2 0 331.479 4.031 20 30 EIEDRP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)ccc1C#N ZINC000443979342 1042715479 /nfs/dbraw/zinc/71/54/79/1042715479.db2.gz ANOUYSMEXGYIMO-SFHVURJKSA-N 2 0 347.506 4.388 20 30 EIEDRP C[N@H+](Cc1ccccc1C[NH2+][C@H]1CC[C@@H](C#N)C1)C1CCCCC1 ZINC000442706206 1043814331 /nfs/dbraw/zinc/81/43/31/1043814331.db2.gz CQVLWYHNJYUMHH-XLIONFOSSA-N 2 0 325.500 4.233 20 30 EIEDRP C=CCOc1ccccc1C[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000521817158 1044006680 /nfs/dbraw/zinc/00/66/80/1044006680.db2.gz YUBCYLAWZNZIES-OALUTQOASA-N 2 0 330.516 4.099 20 30 EIEDRP CCCCCCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000766121759 1044260235 /nfs/dbraw/zinc/26/02/35/1044260235.db2.gz HMPCQOUUTLAFFO-FQEVSTJZSA-N 2 0 332.532 4.135 20 30 EIEDRP C[C@@H](CC[NH2+]C1CCC(C#N)(c2ccccc2)CC1)[NH+]1CCCCC1 ZINC000543392945 1044495411 /nfs/dbraw/zinc/49/54/11/1044495411.db2.gz JZHHAEHAGCRMHA-KPQWGBOZSA-N 2 0 339.527 4.245 20 30 EIEDRP C=CCCC[N@@H+](CC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533532260 1045543239 /nfs/dbraw/zinc/54/32/39/1045543239.db2.gz WELSWFDVJVCJOL-UHFFFAOYSA-N 2 0 330.520 4.165 20 30 EIEDRP C[NH+]1CCC(CCC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)CC1 ZINC001170372069 1046031364 /nfs/dbraw/zinc/03/13/64/1046031364.db2.gz WNQJBTFGTVXEMM-UHFFFAOYSA-N 2 0 339.527 4.102 20 30 EIEDRP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)CC1 ZINC000537408828 1047201462 /nfs/dbraw/zinc/20/14/62/1047201462.db2.gz PXINXQYBQKRFPV-INIZCTEOSA-N 2 0 331.479 4.106 20 30 EIEDRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccc3C#N)cc2)[C@@H]2CCC[C@H]21 ZINC000556884375 1048098823 /nfs/dbraw/zinc/09/88/23/1048098823.db2.gz CAIMAIVIPKIVBM-RJGXRXQPSA-N 2 0 345.490 4.188 20 30 EIEDRP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccc(C#N)cc1 ZINC000499141152 1048341288 /nfs/dbraw/zinc/34/12/88/1048341288.db2.gz ZHNGJIZRQIZRED-LUGPXAIHSA-N 2 0 345.490 4.404 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCC(C)CC3)c2)cc1 ZINC000809616727 1048421118 /nfs/dbraw/zinc/42/11/18/1048421118.db2.gz WMTJUMDIYJFIKT-UHFFFAOYSA-N 2 0 332.491 4.190 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000809605522 1048439651 /nfs/dbraw/zinc/43/96/51/1048439651.db2.gz DCBKSEAKWZMKHH-LJQANCHMSA-N 2 0 332.491 4.190 20 30 EIEDRP C#Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000809605521 1048440177 /nfs/dbraw/zinc/44/01/77/1048440177.db2.gz DCBKSEAKWZMKHH-IBGZPJMESA-N 2 0 332.491 4.190 20 30 EIEDRP C=C(Cl)COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1 ZINC000844926407 1048548012 /nfs/dbraw/zinc/54/80/12/1048548012.db2.gz ZRDJWIREGGHTKB-CQSZACIVSA-N 2 0 348.849 4.267 20 30 EIEDRP C[N@@H+]1CC[C@H](c2ccc(NC(=[NH2+])c3ccc4cc(O)ccc4c3)cc2)C1 ZINC001171185385 1048681977 /nfs/dbraw/zinc/68/19/77/1048681977.db2.gz ITWWCZPCRHIUPB-IBGZPJMESA-N 2 0 345.446 4.002 20 30 EIEDRP N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CCCCC3)CC1)CC2 ZINC000810213809 1048682607 /nfs/dbraw/zinc/68/26/07/1048682607.db2.gz IBCWFYVFCNAMRR-QFIPXVFZSA-N 2 0 337.511 4.180 20 30 EIEDRP C[C@H](CCCC#N)[NH+]1CCC2(CC[N@H+](Cc3cccs3)C2)CC1 ZINC001172494937 1049921716 /nfs/dbraw/zinc/92/17/16/1049921716.db2.gz KOMPSPFOCOSRGV-QGZVFWFLSA-N 2 0 331.529 4.118 20 30 EIEDRP C[C@@H](CCCC#N)[N@@H+]1CCCC2(CC[NH+](Cc3ccccc3)CC2)C1 ZINC001172508844 1049925837 /nfs/dbraw/zinc/92/58/37/1049925837.db2.gz HVWVJZZGSKXSEC-FQEVSTJZSA-N 2 0 339.527 4.447 20 30 EIEDRP CCCCCCC[C@H](CCC)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172511546 1049926880 /nfs/dbraw/zinc/92/68/80/1049926880.db2.gz STDCDOKZWVTKGT-NRFANRHFSA-N 2 0 337.596 4.229 20 30 EIEDRP CCCCCCCCC[C@@H](CCC)[NH+]1CC(N2CC[NH+](C)CC2)C1 ZINC001173284723 1050412698 /nfs/dbraw/zinc/41/26/98/1050412698.db2.gz IGICLLXKRVRABT-HXUWFJFHSA-N 2 0 337.596 4.227 20 30 EIEDRP CC1(C#N)CCC([N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC001173600025 1050501557 /nfs/dbraw/zinc/50/15/57/1050501557.db2.gz UZFFIFXOMKQRLY-LZBANZJXSA-N 2 0 337.511 4.057 20 30 EIEDRP C#CC[C@H]([NH2+]C/C=C\C[NH2+][C@@H](CC#C)c1ccccc1)c1ccccc1 ZINC000775398120 1051213629 /nfs/dbraw/zinc/21/36/29/1051213629.db2.gz FJYMQUSHLNSGRZ-JKBOYCBVSA-N 2 0 342.486 4.251 20 30 EIEDRP CCCCCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC001177122571 1052227472 /nfs/dbraw/zinc/22/74/72/1052227472.db2.gz MNAVEZFOGBYQHR-UHFFFAOYSA-N 2 0 331.548 4.277 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000764963253 1053399975 /nfs/dbraw/zinc/39/99/75/1053399975.db2.gz BWNGECXTCOZNHQ-IPELMVKDSA-N 2 0 334.891 4.095 20 30 EIEDRP C[C@H]([NH2+]CCCCCCC[NH+]1CCCC1)c1ccc(C#N)c(F)c1 ZINC000776738845 1053818784 /nfs/dbraw/zinc/81/87/84/1053818784.db2.gz HKYSYSVDCZBVPT-KRWDZBQOSA-N 2 0 331.479 4.394 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1 ZINC000067668269 526252159 /nfs/dbraw/zinc/25/21/59/526252159.db2.gz XWBYSCHJUDQMAB-SFHVURJKSA-N 2 0 333.479 4.222 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2ccc(C#N)s2)cc1 ZINC000176947895 1020938646 /nfs/dbraw/zinc/93/86/46/1020938646.db2.gz ZYXIHLYSUMPRHO-INIZCTEOSA-N 2 0 339.508 4.284 20 30 EIEDRP CCCCCCC[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397583693 1021018425 /nfs/dbraw/zinc/01/84/25/1021018425.db2.gz HYQCUOAFYAFEQP-HXUWFJFHSA-N 2 0 346.559 4.352 20 30 EIEDRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cc(C#N)cs3)cc2)C1 ZINC000177685250 1021441832 /nfs/dbraw/zinc/44/18/32/1021441832.db2.gz BGAREFYBNBSMHR-INIZCTEOSA-N 2 0 339.508 4.141 20 30 EIEDRP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000310962482 1023488774 /nfs/dbraw/zinc/48/87/74/1023488774.db2.gz BTYILOLPIVWLBN-GHTZIAJQSA-N 2 0 333.479 4.121 20 30 EIEDRP C#CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000162912151 1025186167 /nfs/dbraw/zinc/18/61/67/1025186167.db2.gz IWPCOVNURGFSCO-IBGZPJMESA-N 2 0 348.490 4.145 20 30 EIEDRP CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538397991 1025389442 /nfs/dbraw/zinc/38/94/42/1025389442.db2.gz IKIBLHFSHOGATD-TZIWHRDSSA-N 2 0 325.500 4.081 20 30 EIEDRP CC1CC[NH+](C2CCC([NH2+][C@@H]3CCc4ccc(C#N)cc43)CC2)CC1 ZINC000583534903 1028856180 /nfs/dbraw/zinc/85/61/80/1028856180.db2.gz KKXDUNXLHDEEDY-QETWGEEDSA-N 2 0 337.511 4.178 20 30 EIEDRP C[N@H+](CCCC(C)(C)C#N)[C@H]1CCC[NH+](CCCC(C)(C)C#N)CC1 ZINC000156954643 1028877929 /nfs/dbraw/zinc/87/79/29/1028877929.db2.gz LLEIMTJQXUMUAS-IBGZPJMESA-N 2 0 346.563 4.433 20 30 EIEDRP C[C@H]1CC([NH+]2CCC(CC#N)CC2)C[C@H](C)[NH+]1Cc1ccccc1 ZINC001168053972 1029186869 /nfs/dbraw/zinc/18/68/69/1029186869.db2.gz QNYRKPUHKNUDGX-ROUUACIJSA-N 2 0 325.500 4.054 20 30 EIEDRP C=CC[NH+]1CCC(Nc2ccnc3cc(Br)ccc32)CC1 ZINC000301403928 1029726046 /nfs/dbraw/zinc/72/60/46/1029726046.db2.gz SIGJWRNPVFFRDN-UHFFFAOYSA-N 2 0 346.272 4.060 20 30 EIEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453236519 1031757055 /nfs/dbraw/zinc/75/70/55/1031757055.db2.gz UQOZUYLEHKEFID-PWRODBHTSA-N 2 0 339.527 4.349 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000531910990 1031807338 /nfs/dbraw/zinc/80/73/38/1031807338.db2.gz ZHDVWGQQQRFTRT-KRWDZBQOSA-N 2 0 343.490 4.174 20 30 EIEDRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1ccc(C#N)cc1F ZINC000512635837 1033581768 /nfs/dbraw/zinc/58/17/68/1033581768.db2.gz INYVNLPEXRSECO-IVMQYODDSA-N 2 0 343.490 4.391 20 30 EIEDRP N#CC1CCC(C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602654399 1036552157 /nfs/dbraw/zinc/55/21/57/1036552157.db2.gz GVAFQHAHMVAFRZ-KLXIGZAZSA-N 2 0 337.511 4.274 20 30 EIEDRP N#C[C@H]1CC[C@H]([NH+]2CCC3(CC[NH+](Cc4ccccc4)CC3)CC2)C1 ZINC000602860298 1036647586 /nfs/dbraw/zinc/64/75/86/1036647586.db2.gz ASNKMIBENDOMIV-SFTDATJTSA-N 2 0 337.511 4.057 20 30 EIEDRP Cc1ccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000599345996 1036964088 /nfs/dbraw/zinc/96/40/88/1036964088.db2.gz GJKUTMXCBZJIKZ-UHFFFAOYSA-N 2 0 348.494 4.000 20 30 EIEDRP Cc1cc(C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1C#N ZINC000488191496 1037395005 /nfs/dbraw/zinc/39/50/05/1037395005.db2.gz AILLCUVFVKNKBD-XXBNENTESA-N 2 0 347.506 4.352 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000592470958 1038065390 /nfs/dbraw/zinc/06/53/90/1038065390.db2.gz PLDWBDSECIDOON-AZIXLERZSA-N 2 0 345.490 4.264 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494547 1038345642 /nfs/dbraw/zinc/34/56/42/1038345642.db2.gz HWAVKSGASIXDHQ-SFHVURJKSA-N 2 0 327.516 4.232 20 30 EIEDRP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000554996769 1038821814 /nfs/dbraw/zinc/82/18/14/1038821814.db2.gz CUHOCJAJXBKDLI-JOCHJYFZSA-N 2 0 333.479 4.177 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000516690450 1041710172 /nfs/dbraw/zinc/71/01/72/1041710172.db2.gz PJPJWWRSQMRYHQ-AMHTUMDSSA-N 2 0 345.490 4.046 20 30 EIEDRP C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443604081 1042118052 /nfs/dbraw/zinc/11/80/52/1042118052.db2.gz SBWDQRPFTKUCMG-SFHVURJKSA-N 2 0 325.500 4.207 20 30 EIEDRP N#C[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000185817381 1043223041 /nfs/dbraw/zinc/22/30/41/1043223041.db2.gz JKBMJMSVMKLDFY-PKOBYXMFSA-N 2 0 345.918 4.224 20 30 EIEDRP N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000185828717 1043224535 /nfs/dbraw/zinc/22/45/35/1043224535.db2.gz JJWDUUJFTZPPQQ-NQIIRXRSSA-N 2 0 325.500 4.235 20 30 EIEDRP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611390736 1045296973 /nfs/dbraw/zinc/29/69/73/1045296973.db2.gz RIPKCLOIGFIXEO-DYESRHJHSA-N 2 0 325.500 4.037 20 30 EIEDRP CC(C)(C#N)CCCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459480460 1046707025 /nfs/dbraw/zinc/70/70/25/1046707025.db2.gz MBTAIZLEMFAQTC-UHFFFAOYSA-N 2 0 336.483 4.077 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000817587465 1049015279 /nfs/dbraw/zinc/01/52/79/1049015279.db2.gz YBCJPRJNLREPMR-ZLPCBKJTSA-N 2 0 336.907 4.341 20 30 EIEDRP CC1(C)C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC001171972303 1049834861 /nfs/dbraw/zinc/83/48/61/1049834861.db2.gz PKLHMTBZQHSDMI-QFIPXVFZSA-N 2 0 347.506 4.134 20 30 EIEDRP CCCCCCC[C@H](CC)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172359771 1049895278 /nfs/dbraw/zinc/89/52/78/1049895278.db2.gz CZOPSKDBEZRYTJ-NRFANRHFSA-N 2 0 337.596 4.085 20 30 EIEDRP C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC001172510300 1049925623 /nfs/dbraw/zinc/92/56/23/1049925623.db2.gz ZHOAFLGYXCWQCB-TZIWHRDSSA-N 2 0 325.500 4.057 20 30 EIEDRP CC(C)(CCC#N)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000092043832 1050310178 /nfs/dbraw/zinc/31/01/78/1050310178.db2.gz NFECZAHYKNSFAD-RTWAWAEBSA-N 2 0 339.527 4.303 20 30 EIEDRP N#CCC1CCC([NH+]2CCC([NH3+])(Cc3ccc(Cl)cc3)CC2)CC1 ZINC001173333486 1050422996 /nfs/dbraw/zinc/42/29/96/1050422996.db2.gz NABWDYFGQBMVMM-UHFFFAOYSA-N 2 0 345.918 4.148 20 30 EIEDRP C[C@H]([NH2+]C1CCC([NH+]2CCC(C)CC2)CC1)c1cccc(C#N)c1 ZINC000182066007 1050454701 /nfs/dbraw/zinc/45/47/01/1050454701.db2.gz NHBATYJKUIZECV-RPCJCACASA-N 2 0 325.500 4.252 20 30 EIEDRP C#CC[C@H]1CC[NH+](C[C@@H](C[N@@H+](C)Cc2ccccc2)c2ccccc2)C1 ZINC001176068932 1051903650 /nfs/dbraw/zinc/90/36/50/1051903650.db2.gz FLBQJGQXMCMCPF-XUZZJYLKSA-N 2 0 346.518 4.247 20 30 EIEDRP C=C[C@H]1CCCC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001193943418 1052043619 /nfs/dbraw/zinc/04/36/19/1052043619.db2.gz WUBTVIJGNLNYIK-QFIPXVFZSA-N 2 0 326.528 4.372 20 30 EIEDRP CC(C)(CCC#N)C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000174384659 1052565537 /nfs/dbraw/zinc/56/55/37/1052565537.db2.gz UQPMQJGRXKTTMS-UHFFFAOYSA-N 2 0 327.516 4.482 20 30 EIEDRP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542946941 1056833564 /nfs/dbraw/zinc/83/35/64/1056833564.db2.gz GJDMHGMPPDYVQR-SFHVURJKSA-N 2 0 333.479 4.362 20 30 EIEDRP C#CCOc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000766514433 1060471197 /nfs/dbraw/zinc/47/11/97/1060471197.db2.gz WSLJGSGLUKIXLJ-PELRDEGISA-N 2 0 340.511 4.146 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000067668290 524114725 /nfs/dbraw/zinc/11/47/25/524114725.db2.gz QPYWJLCIMSKXBH-GOSISDBHSA-N 2 0 333.479 4.222 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cccc(C#N)c3)c2)CC1 ZINC000105459610 1032246883 /nfs/dbraw/zinc/24/68/83/1032246883.db2.gz QFJAVELVEYOYJK-UHFFFAOYSA-N 2 0 333.479 4.080 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]C3CCC(C)(C#N)CC3)cc2)C1 ZINC000449080617 1031438588 /nfs/dbraw/zinc/43/85/88/1031438588.db2.gz XRESEBZGFOIFLX-OSFYOIPJSA-N 2 0 339.527 4.481 20 30 EIEDRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000531654860 1031449296 /nfs/dbraw/zinc/44/92/96/1031449296.db2.gz ADOWXTZZBUXGSR-GOSISDBHSA-N 2 0 325.500 4.035 20 30 EIEDRP N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453292664 1031812004 /nfs/dbraw/zinc/81/20/04/1031812004.db2.gz OGPIFXUJWUPIFG-YOESJJQFSA-N 2 0 337.511 4.102 20 30 EIEDRP N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596094387 1035821492 /nfs/dbraw/zinc/82/14/92/1035821492.db2.gz LVBOIWBBOGGPHD-UGKGYDQZSA-N 2 0 337.511 4.037 20 30 EIEDRP CC1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C#N)CC3)cc2)CC1 ZINC000602508873 1036482668 /nfs/dbraw/zinc/48/26/68/1036482668.db2.gz BXXYRSRMCKKFIQ-UHFFFAOYSA-N 2 0 325.500 4.090 20 30 EIEDRP CCC1(C[NH2+]C2CCC(C#N)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000602576223 1036508124 /nfs/dbraw/zinc/50/81/24/1036508124.db2.gz KGBURIDHMMDONK-UHFFFAOYSA-N 2 0 339.527 4.351 20 30 EIEDRP CCC1(C[NH2+]C[C@H](C)CCC#N)CC[NH+](Cc2ccccc2)CC1 ZINC000602579043 1036509904 /nfs/dbraw/zinc/50/99/04/1036509904.db2.gz YSEUKFOAIKHZIW-LJQANCHMSA-N 2 0 327.516 4.208 20 30 EIEDRP N#CC1CCC(C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000602654400 1036553480 /nfs/dbraw/zinc/55/34/80/1036553480.db2.gz GVAFQHAHMVAFRZ-VEDXQQSGSA-N 2 0 337.511 4.274 20 30 EIEDRP N#Cc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)c1 ZINC000057970628 1037351229 /nfs/dbraw/zinc/35/12/29/1037351229.db2.gz XLEFFBYVQLHKAL-UHFFFAOYSA-N 2 0 333.479 4.224 20 30 EIEDRP C[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000423036876 1037919130 /nfs/dbraw/zinc/91/91/30/1037919130.db2.gz VBXAILSPZSEHEM-YPHUNTSASA-N 2 0 333.479 4.393 20 30 EIEDRP C=CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423191067 1038046992 /nfs/dbraw/zinc/04/69/92/1038046992.db2.gz SKKSYVWTZYHDBC-LSWJPFSZSA-N 2 0 348.490 4.019 20 30 EIEDRP C=CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1Cl ZINC000537636228 1039362478 /nfs/dbraw/zinc/36/24/78/1039362478.db2.gz SSEUCCSZCZVAOR-YJBOKZPZSA-N 2 0 336.907 4.067 20 30 EIEDRP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898517867 1040971805 /nfs/dbraw/zinc/97/18/05/1040971805.db2.gz UXUDDLGNBORHDG-PBASOCQRSA-N 2 0 339.527 4.205 20 30 EIEDRP CC(C)(CCC#N)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898523126 1040978891 /nfs/dbraw/zinc/97/88/91/1040978891.db2.gz ZRVOSOTXAWEVMK-QHAWAJNXSA-N 2 0 339.527 4.207 20 30 EIEDRP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000439435007 1042624440 /nfs/dbraw/zinc/62/44/40/1042624440.db2.gz GFDRCXQXBVHZFG-UHFFFAOYSA-N 2 0 333.907 4.156 20 30 EIEDRP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)CCN1Cc1ccccc1 ZINC000172574901 1043804080 /nfs/dbraw/zinc/80/40/80/1043804080.db2.gz TZJKVELZAJRUQT-GCJKJVERSA-N 2 0 333.479 4.043 20 30 EIEDRP C[NH+](C)Cc1ccc(-c2ccccc2C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442713895 1043816364 /nfs/dbraw/zinc/81/63/64/1043816364.db2.gz JARWLONGWFWNMW-WIYYLYMNSA-N 2 0 333.479 4.197 20 30 EIEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000442775237 1043830758 /nfs/dbraw/zinc/83/07/58/1043830758.db2.gz FMAAYZFFZKLMDS-FGZHOGPDSA-N 2 0 339.527 4.003 20 30 EIEDRP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000543397590 1044513151 /nfs/dbraw/zinc/51/31/51/1044513151.db2.gz WBIBCKCJDCZYOU-QGZVFWFLSA-N 2 0 345.450 4.031 20 30 EIEDRP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000611392040 1045297233 /nfs/dbraw/zinc/29/72/33/1045297233.db2.gz JHFDIASADIXZGQ-JOCHJYFZSA-N 2 0 333.479 4.177 20 30 EIEDRP N#CC1(c2ccccc2)CCC(n2cc(CC[NH3+])c3c[nH+]ccc32)CC1 ZINC001170371731 1046010812 /nfs/dbraw/zinc/01/08/12/1046010812.db2.gz JEMSDXDFMIHVTO-UHFFFAOYSA-N 2 0 344.462 4.114 20 30 EIEDRP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@H](C)C1 ZINC001170376164 1046033053 /nfs/dbraw/zinc/03/30/53/1046033053.db2.gz KMPSTSOXJKSDCK-NTYOPAKOSA-N 2 0 339.527 4.099 20 30 EIEDRP N#CCCC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000459582580 1046779427 /nfs/dbraw/zinc/77/94/27/1046779427.db2.gz DUIVFQLTXYPBHS-NRFANRHFSA-N 2 0 334.467 4.075 20 30 EIEDRP C[C@H](Cc1cccc(C#N)c1)[N@H+](CC1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001171199238 1048730205 /nfs/dbraw/zinc/73/02/05/1048730205.db2.gz WUIVYAZHLNBNSX-ZPMCFJSWSA-N 2 0 339.527 4.251 20 30 EIEDRP CC1(C)C[C@@H]([NH2+]Cc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC001171963742 1049825704 /nfs/dbraw/zinc/82/57/04/1049825704.db2.gz JAEFDVGVWOAXBV-NRFANRHFSA-N 2 0 333.479 4.091 20 30 EIEDRP N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC001172065771 1049851531 /nfs/dbraw/zinc/85/15/31/1049851531.db2.gz QMSNOHOZIBLCJL-WSJSTIOHSA-N 2 0 337.511 4.244 20 30 EIEDRP C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC[NH+](C2CCCCC2)CC1 ZINC001172302725 1049873117 /nfs/dbraw/zinc/87/31/17/1049873117.db2.gz PLVHPHNKZUEIIE-GOSISDBHSA-N 2 0 339.527 4.124 20 30 EIEDRP C[C@@H]1CC[C@@H]([N@H+](Cc2cccc(C#N)c2)[C@H]2CC[C@H]([NH3+])CC2)C[C@@H]1C ZINC001172369507 1049897220 /nfs/dbraw/zinc/89/72/20/1049897220.db2.gz RRLYXQMCIILEIK-MPMRWZLSSA-N 2 0 339.527 4.455 20 30 EIEDRP C=CCOC1CCC([NH+]2CCC([NH3+])(c3ccccc3Cl)CC2)CC1 ZINC001173318892 1050441645 /nfs/dbraw/zinc/44/16/45/1050441645.db2.gz OZYAOSAMHDDVPF-UHFFFAOYSA-N 2 0 348.918 4.104 20 30 EIEDRP CC1(C#N)CCC([N@H+](Cc2ccccc2F)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001173591700 1050494991 /nfs/dbraw/zinc/49/49/91/1050494991.db2.gz WOHXAKOGPIETJE-SBHPSCBMSA-N 2 0 343.490 4.370 20 30 EIEDRP C=CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccncc1 ZINC000774194345 1051495886 /nfs/dbraw/zinc/49/58/86/1051495886.db2.gz XJQZDDHYOHQRBV-GPJHCHHRSA-N 2 0 347.506 4.484 20 30 EIEDRP C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072869227 1052615791 /nfs/dbraw/zinc/61/57/91/1052615791.db2.gz ZUUOMNODECWWKM-NQIIRXRSSA-N 2 0 333.479 4.073 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000764963257 1053399127 /nfs/dbraw/zinc/39/91/27/1053399127.db2.gz BWNGECXTCOZNHQ-SNRMKQJTSA-N 2 0 334.891 4.095 20 30 EIEDRP C#CCOc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000764960027 1053400073 /nfs/dbraw/zinc/40/00/73/1053400073.db2.gz BOXVAJJCVFUTLH-OALUTQOASA-N 2 0 328.500 4.004 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000765424588 1053541452 /nfs/dbraw/zinc/54/14/52/1053541452.db2.gz ICOYVSCYKVXHHU-INIZCTEOSA-N 2 0 348.918 4.485 20 30 EIEDRP C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001196936783 1053809078 /nfs/dbraw/zinc/80/90/78/1053809078.db2.gz URFIWZIAIZBTQV-GHTZIAJQSA-N 2 0 325.500 4.206 20 30 EIEDRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccccc2C(C)(C)C#N)cc1 ZINC000859214493 1054645025 /nfs/dbraw/zinc/64/50/25/1054645025.db2.gz JBSYXVSAZFWSNE-UHFFFAOYSA-N 2 0 335.495 4.181 20 30 EIEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475734244 1032543095 /nfs/dbraw/zinc/54/30/95/1032543095.db2.gz YBGRUGBEPIVIOU-JOCHJYFZSA-N 2 0 339.527 4.304 20 30 EIEDRP C=CCN1CCC([NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)CC1 ZINC000177909357 1021805487 /nfs/dbraw/zinc/80/54/87/1021805487.db2.gz QPWFBCSSKAIIHB-IBGZPJMESA-N 2 0 341.543 4.368 20 30 EIEDRP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000174002007 1021993209 /nfs/dbraw/zinc/99/32/09/1021993209.db2.gz PYSWVSLHJDWFGH-GOSISDBHSA-N 2 0 333.479 4.121 20 30 EIEDRP CC[NH+](CC)CCC[C@@H](C)[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001167841745 1025888346 /nfs/dbraw/zinc/88/83/46/1025888346.db2.gz QBZMVNHCWSCSHM-HXUWFJFHSA-N 2 0 326.528 4.261 20 30 EIEDRP CC(C)(C#N)CCCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512291276 1026653845 /nfs/dbraw/zinc/65/38/45/1026653845.db2.gz GZYUEKCMGYPWJX-QFIPXVFZSA-N 2 0 339.527 4.304 20 30 EIEDRP C[N@H+](CCCCC(C)(C)C#N)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000277662180 1026747085 /nfs/dbraw/zinc/74/70/85/1026747085.db2.gz JAZHZQXOSZKEEM-UHFFFAOYSA-N 2 0 342.531 4.340 20 30 EIEDRP C[C@@H](C[NH2+]C1CCC(C#N)(c2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000507622148 1026850592 /nfs/dbraw/zinc/85/05/92/1026850592.db2.gz QYBJZXQMRHYCND-KPQWGBOZSA-N 2 0 339.527 4.102 20 30 EIEDRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000507650570 1026861705 /nfs/dbraw/zinc/86/17/05/1026861705.db2.gz PJWGVUWWUAFJOU-UHFFFAOYSA-N 2 0 347.506 4.242 20 30 EIEDRP C[C@@H]1C[C@@H]([NH+]2CCC(C)(C#N)CC2)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168064700 1029635796 /nfs/dbraw/zinc/63/57/96/1029635796.db2.gz RIZGQAGXZDUDCP-OPVJXMOQSA-N 2 0 325.500 4.054 20 30 EIEDRP C=CC[NH+]1CCC(Nc2ccnc3ccc(Br)cc32)CC1 ZINC000301406657 1029725697 /nfs/dbraw/zinc/72/56/97/1029725697.db2.gz VDGPENNVQLRMFY-UHFFFAOYSA-N 2 0 346.272 4.060 20 30 EIEDRP C=C(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1ccccc1 ZINC000447544152 1030148270 /nfs/dbraw/zinc/14/82/70/1030148270.db2.gz NVRYMVHNZXHPOQ-NUNAXRQHSA-N 2 0 332.491 4.485 20 30 EIEDRP C=CCC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1ccco1 ZINC000658166111 1030862675 /nfs/dbraw/zinc/86/26/75/1030862675.db2.gz MMIUBSRVYHEVLJ-FQEVSTJZSA-N 2 0 339.483 4.184 20 30 EIEDRP CC1(C#N)CCC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000449066976 1031416574 /nfs/dbraw/zinc/41/65/74/1031416574.db2.gz HFISYNSCZSJJRL-UHFFFAOYSA-N 2 0 325.500 4.235 20 30 EIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512620253 1033508788 /nfs/dbraw/zinc/50/87/88/1033508788.db2.gz PKPRPIQWVXZTFG-INIZCTEOSA-N 2 0 339.458 4.388 20 30 EIEDRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512620254 1033508984 /nfs/dbraw/zinc/50/89/84/1033508984.db2.gz PKPRPIQWVXZTFG-MRXNPFEDSA-N 2 0 339.458 4.388 20 30 EIEDRP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C)c1cccc(C#N)c1 ZINC000398121619 1034544838 /nfs/dbraw/zinc/54/48/38/1034544838.db2.gz HHALCFCDWPMKLQ-KGVIQGDOSA-N 2 0 333.479 4.119 20 30 EIEDRP CC1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602586415 1036513886 /nfs/dbraw/zinc/51/38/86/1036513886.db2.gz QOKVSIZBIAKHLE-UHFFFAOYSA-N 2 0 325.500 4.090 20 30 EIEDRP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000591022973 1037275776 /nfs/dbraw/zinc/27/57/76/1037275776.db2.gz MHQRCPGQDJDENE-SFHVURJKSA-N 2 0 333.479 4.395 20 30 EIEDRP N#Cc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000063776040 1038824805 /nfs/dbraw/zinc/82/48/05/1038824805.db2.gz XNUNLCABKHPGQV-UHFFFAOYSA-N 2 0 333.479 4.224 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000483963597 1041086563 /nfs/dbraw/zinc/08/65/63/1041086563.db2.gz YSGJLJRCCAEDOL-KRWDZBQOSA-N 2 0 343.490 4.174 20 30 EIEDRP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C#N)C3)c2)CC1 ZINC000185821794 1043221883 /nfs/dbraw/zinc/22/18/83/1043221883.db2.gz AKPIJSCCOZLRDK-NQIIRXRSSA-N 2 0 325.500 4.090 20 30 EIEDRP N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000185828661 1043222021 /nfs/dbraw/zinc/22/20/21/1043222021.db2.gz JJWDUUJFTZPPQQ-GHTZIAJQSA-N 2 0 325.500 4.235 20 30 EIEDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000174452585 1044273642 /nfs/dbraw/zinc/27/36/42/1044273642.db2.gz ICGZKWUEZSSLBS-UHFFFAOYSA-N 2 0 345.446 4.073 20 30 EIEDRP N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000611390734 1045297754 /nfs/dbraw/zinc/29/77/54/1045297754.db2.gz RIJBWOKGLKKOLO-HSZRJFAPSA-N 2 0 345.490 4.321 20 30 EIEDRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390637 1045297760 /nfs/dbraw/zinc/29/77/60/1045297760.db2.gz MJBZUZNGBVEZMU-LAUBAEHRSA-N 2 0 325.500 4.180 20 30 EIEDRP Cc1ccc(C(=[NH2+])N[C@@H]2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1C ZINC001171980113 1049838674 /nfs/dbraw/zinc/83/86/74/1049838674.db2.gz SMJURYFACOTPRE-OAQYLSRUSA-N 2 0 349.522 4.452 20 30 EIEDRP CC1(C)C[C@@H]([NH+]2CCC(C)(C#N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC001171985971 1049840232 /nfs/dbraw/zinc/84/02/32/1049840232.db2.gz DUDFEKMNWMTQMO-IBGZPJMESA-N 2 0 325.500 4.055 20 30 EIEDRP N#C[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC001172073564 1049844368 /nfs/dbraw/zinc/84/43/68/1049844368.db2.gz AMJQSMAJCPTKET-UVUJQTEASA-N 2 0 337.511 4.198 20 30 EIEDRP C[C@H](Cc1ccc(C#N)cc1)[N@H+](C1CCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001172303766 1049873678 /nfs/dbraw/zinc/87/36/78/1049873678.db2.gz DXNYXKTYYLSLIF-OZOXKJRCSA-N 2 0 325.500 4.004 20 30 EIEDRP CCCCCCC[C@@H](CC)[NH+]1CCN(CC2CC[NH+](C)CC2)CC1 ZINC001172359773 1049895452 /nfs/dbraw/zinc/89/54/52/1049895452.db2.gz CZOPSKDBEZRYTJ-OAQYLSRUSA-N 2 0 337.596 4.085 20 30 EIEDRP CCCCCCCC[C@H](CC)[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC001172504410 1049924678 /nfs/dbraw/zinc/92/46/78/1049924678.db2.gz FGIVIFXSIMTOJD-NRFANRHFSA-N 2 0 337.596 4.229 20 30 EIEDRP CC(C)(C#N)CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248119514 1050043043 /nfs/dbraw/zinc/04/30/43/1050043043.db2.gz NESRLWZXTQCZKB-SFTDATJTSA-N 2 0 339.527 4.303 20 30 EIEDRP CCCCCCCC[C@H](CCC)[NH+]1CCN(CCCC[NH3+])CC1 ZINC001173309700 1050404719 /nfs/dbraw/zinc/40/47/19/1050404719.db2.gz JSHWCFCDASAWSD-FQEVSTJZSA-N 2 0 325.585 4.262 20 30 EIEDRP CCCCCCCCC[C@@H](CCC)[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001173285401 1050412725 /nfs/dbraw/zinc/41/27/25/1050412725.db2.gz ULNKFLIYFQHMNO-MOPGFXCFSA-N 2 0 341.584 4.129 20 30 EIEDRP C#CCCCC[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000775414221 1051280967 /nfs/dbraw/zinc/28/09/67/1051280967.db2.gz FQSFSUIIJJSUMX-GOSISDBHSA-N 2 0 328.500 4.135 20 30 EIEDRP C#CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000775523524 1051701737 /nfs/dbraw/zinc/70/17/37/1051701737.db2.gz JQOAHLDIQRPWRA-OIBXWCBGSA-N 2 0 332.491 4.251 20 30 EIEDRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CC(C)(C)CCC#N)C1 ZINC000174272061 1052563987 /nfs/dbraw/zinc/56/39/87/1052563987.db2.gz RMJBSHAPNGFFOQ-GOSISDBHSA-N 2 0 327.516 4.338 20 30 EIEDRP C=C(Cl)COc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000764963255 1053398611 /nfs/dbraw/zinc/39/86/11/1053398611.db2.gz BWNGECXTCOZNHQ-KFKAGJAMSA-N 2 0 334.891 4.095 20 30 EIEDRP C[C@H]([NH2+]C1CCC([NH+]2CCCCC2)CC1)c1ccc(C#N)c(F)c1 ZINC000776741073 1053815822 /nfs/dbraw/zinc/81/58/22/1053815822.db2.gz CGDZNDWUNDFPIA-MNNVXMFVSA-N 2 0 329.463 4.145 20 30 EIEDRP Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc(/[NH+]=C/N(C)C)c(C#N)c1 ZINC001169693548 1060901533 /nfs/dbraw/zinc/90/15/33/1060901533.db2.gz WURSPWYRCVBLAB-ANRKENSESA-N 2 0 347.466 4.020 20 30 EIEDRP