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](CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000067734290 541507048 /nfs/dbraw/zinc/50/70/48/541507048.db2.gz JNYFTLBAKWTYMY-AZUAARDMSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000067734290 541507052 /nfs/dbraw/zinc/50/70/52/541507052.db2.gz JNYFTLBAKWTYMY-AZUAARDMSA-N 2 2 374.529 2.061 10 0 FEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105103961 543158537 /nfs/dbraw/zinc/15/85/37/543158537.db2.gz KQQSFWKAHOYXOV-SFHVURJKSA-N 2 2 357.502 2.452 10 0 FEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105103961 543158539 /nfs/dbraw/zinc/15/85/39/543158539.db2.gz KQQSFWKAHOYXOV-SFHVURJKSA-N 2 2 357.502 2.452 10 0 FEAELP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129769 543205976 /nfs/dbraw/zinc/20/59/76/543205976.db2.gz BQEBYAWXXRJKLA-GOSISDBHSA-N 2 2 361.534 2.070 10 0 FEAELP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129769 543205977 /nfs/dbraw/zinc/20/59/77/543205977.db2.gz BQEBYAWXXRJKLA-GOSISDBHSA-N 2 2 361.534 2.070 10 0 FEAELP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128562 543206148 /nfs/dbraw/zinc/20/61/48/543206148.db2.gz GXNFIWHFWZZQGC-FQEVSTJZSA-N 2 2 372.513 2.028 10 0 FEAELP Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128562 543206149 /nfs/dbraw/zinc/20/61/49/543206149.db2.gz GXNFIWHFWZZQGC-FQEVSTJZSA-N 2 2 372.513 2.028 10 0 FEAELP Cn1cc(CN2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cn1 ZINC000106155966 543210003 /nfs/dbraw/zinc/21/00/03/543210003.db2.gz VOGBDEVMDKQAPS-UHFFFAOYSA-N 2 2 350.470 2.314 10 0 FEAELP Cn1cc(CN2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)cn1 ZINC000106155966 543210004 /nfs/dbraw/zinc/21/00/04/543210004.db2.gz VOGBDEVMDKQAPS-UHFFFAOYSA-N 2 2 350.470 2.314 10 0 FEAELP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000109284697 543319925 /nfs/dbraw/zinc/31/99/25/543319925.db2.gz VXHSOQYINTZGNW-HXUWFJFHSA-N 2 2 369.513 2.147 10 0 FEAELP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000109284697 543319928 /nfs/dbraw/zinc/31/99/28/543319928.db2.gz VXHSOQYINTZGNW-HXUWFJFHSA-N 2 2 369.513 2.147 10 0 FEAELP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000109284697 543319930 /nfs/dbraw/zinc/31/99/30/543319930.db2.gz VXHSOQYINTZGNW-HXUWFJFHSA-N 2 2 369.513 2.147 10 0 FEAELP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000109284697 543319932 /nfs/dbraw/zinc/31/99/32/543319932.db2.gz VXHSOQYINTZGNW-HXUWFJFHSA-N 2 2 369.513 2.147 10 0 FEAELP C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117805092 543640663 /nfs/dbraw/zinc/64/06/63/543640663.db2.gz ZCBPCIULDNUTTR-SQGPQFPESA-N 2 2 374.504 2.031 10 0 FEAELP C[C@H](C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117805092 543640664 /nfs/dbraw/zinc/64/06/64/543640664.db2.gz ZCBPCIULDNUTTR-SQGPQFPESA-N 2 2 374.504 2.031 10 0 FEAELP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1Cn1cccn1 ZINC000151322017 544528548 /nfs/dbraw/zinc/52/85/48/544528548.db2.gz MIHIMLHOUSKMAC-YLJYHZDGSA-N 2 2 372.513 2.437 10 0 FEAELP CC[N@H+](CC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1)C1CC1 ZINC000153324755 544761798 /nfs/dbraw/zinc/76/17/98/544761798.db2.gz RWUNOUUTFSNTLU-MRXNPFEDSA-N 2 2 351.516 2.030 10 0 FEAELP CC[N@@H+](CC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1)C1CC1 ZINC000153324755 544761803 /nfs/dbraw/zinc/76/18/03/544761803.db2.gz RWUNOUUTFSNTLU-MRXNPFEDSA-N 2 2 351.516 2.030 10 0 FEAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672453 327696712 /nfs/dbraw/zinc/69/67/12/327696712.db2.gz ZISVTTCGWZTMHZ-HUUCEWRRSA-N 2 2 357.458 2.393 10 0 FEAELP COc1c(Br)cccc1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000187158524 328005609 /nfs/dbraw/zinc/00/56/09/328005609.db2.gz LUVLJTYSVBTLNY-AWEZNQCLSA-N 2 2 357.292 2.394 10 0 FEAELP CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000189904109 328175180 /nfs/dbraw/zinc/17/51/80/328175180.db2.gz HTJSVQGVPJLUDP-YZVOILCLSA-N 2 2 372.469 2.227 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000190601875 328218978 /nfs/dbraw/zinc/21/89/78/328218978.db2.gz SVMLPCDRXFRAGX-GOSISDBHSA-N 2 2 363.465 2.252 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000190601875 328218979 /nfs/dbraw/zinc/21/89/79/328218979.db2.gz SVMLPCDRXFRAGX-GOSISDBHSA-N 2 2 363.465 2.252 10 0 FEAELP OC[C@H]1CCCN1c1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000192956431 328348851 /nfs/dbraw/zinc/34/88/51/328348851.db2.gz IYKAAVHGTWIPPV-RBUKOAKNSA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@H]1CCCN1c1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000192956431 328348853 /nfs/dbraw/zinc/34/88/53/328348853.db2.gz IYKAAVHGTWIPPV-RBUKOAKNSA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@H]1CCCN1c1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000192956431 328348856 /nfs/dbraw/zinc/34/88/56/328348856.db2.gz IYKAAVHGTWIPPV-RBUKOAKNSA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@H]1CCCN1c1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000192956431 328348858 /nfs/dbraw/zinc/34/88/58/328348858.db2.gz IYKAAVHGTWIPPV-RBUKOAKNSA-N 2 2 367.497 2.372 10 0 FEAELP C[NH2+]CC(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000193133487 328358891 /nfs/dbraw/zinc/35/88/91/328358891.db2.gz LWAIIFVVEVQBKI-UHFFFAOYSA-N 2 2 367.493 2.156 10 0 FEAELP CCCCOC[C@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000193364517 328370846 /nfs/dbraw/zinc/37/08/46/328370846.db2.gz LTMYUIZBRDJSRZ-QGZVFWFLSA-N 2 2 350.507 2.208 10 0 FEAELP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000048216192 324657950 /nfs/dbraw/zinc/65/79/50/324657950.db2.gz HMXYHKWSVIFOKO-KRWDZBQOSA-N 2 2 362.518 2.048 10 0 FEAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000078545500 325051380 /nfs/dbraw/zinc/05/13/80/325051380.db2.gz PQNMBTKMDGJVPE-IEBWSBKVSA-N 2 2 362.518 2.089 10 0 FEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000086364611 325263114 /nfs/dbraw/zinc/26/31/14/325263114.db2.gz MUVBXEODLHWVGO-HZPDHXFCSA-N 2 2 371.485 2.262 10 0 FEAELP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000116429868 326014055 /nfs/dbraw/zinc/01/40/55/326014055.db2.gz WMQSSYNKVVZERX-HNNXBMFYSA-N 2 2 367.563 2.399 10 0 FEAELP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000116429868 326014057 /nfs/dbraw/zinc/01/40/57/326014057.db2.gz WMQSSYNKVVZERX-HNNXBMFYSA-N 2 2 367.563 2.399 10 0 FEAELP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116429868 326014058 /nfs/dbraw/zinc/01/40/58/326014058.db2.gz WMQSSYNKVVZERX-HNNXBMFYSA-N 2 2 367.563 2.399 10 0 FEAELP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116429868 326014061 /nfs/dbraw/zinc/01/40/61/326014061.db2.gz WMQSSYNKVVZERX-HNNXBMFYSA-N 2 2 367.563 2.399 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@@H]1C ZINC000117277208 326054337 /nfs/dbraw/zinc/05/43/37/326054337.db2.gz UDPCEKYCWNLLQL-SFHVURJKSA-N 2 2 374.529 2.176 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@@H]1C ZINC000117277208 326054340 /nfs/dbraw/zinc/05/43/40/326054340.db2.gz UDPCEKYCWNLLQL-SFHVURJKSA-N 2 2 374.529 2.176 10 0 FEAELP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C1 ZINC000170856403 327102949 /nfs/dbraw/zinc/10/29/49/327102949.db2.gz XIIDLDUQTSODGW-OAHLLOKOSA-N 2 2 352.482 2.389 10 0 FEAELP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2C1 ZINC000170856403 327102951 /nfs/dbraw/zinc/10/29/51/327102951.db2.gz XIIDLDUQTSODGW-OAHLLOKOSA-N 2 2 352.482 2.389 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000173953127 327297460 /nfs/dbraw/zinc/29/74/60/327297460.db2.gz IXCNVCYEQABRPN-QZTJIDSGSA-N 2 2 357.502 2.319 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000173953127 327297461 /nfs/dbraw/zinc/29/74/61/327297461.db2.gz IXCNVCYEQABRPN-QZTJIDSGSA-N 2 2 357.502 2.319 10 0 FEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000177460930 327524267 /nfs/dbraw/zinc/52/42/67/327524267.db2.gz QNMRGGIHRDHQPR-BBWFWOEESA-N 2 2 374.533 2.256 10 0 FEAELP C[C@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)[C@H](C[NH3+])C1 ZINC000261875850 328826270 /nfs/dbraw/zinc/82/62/70/328826270.db2.gz STPRJMUDYAYREJ-YJBOKZPZSA-N 2 2 369.469 2.111 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1cccc(S(C)(=O)=O)c1 ZINC000178325278 546776043 /nfs/dbraw/zinc/77/60/43/546776043.db2.gz LXWWBXAPVJYTFJ-MRXNPFEDSA-N 2 2 363.483 2.138 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1cccc(S(C)(=O)=O)c1 ZINC000178325278 546776049 /nfs/dbraw/zinc/77/60/49/546776049.db2.gz LXWWBXAPVJYTFJ-MRXNPFEDSA-N 2 2 363.483 2.138 10 0 FEAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000178779278 546848070 /nfs/dbraw/zinc/84/80/70/546848070.db2.gz MUMHKCRWTILGLC-WMZOPIPTSA-N 2 2 359.495 2.280 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000182077330 547433539 /nfs/dbraw/zinc/43/35/39/547433539.db2.gz AAJOEPJQBOOWOV-DLBZAZTESA-N 2 2 373.501 2.317 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000182077330 547433541 /nfs/dbraw/zinc/43/35/41/547433541.db2.gz AAJOEPJQBOOWOV-DLBZAZTESA-N 2 2 373.501 2.317 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC000195266920 548607358 /nfs/dbraw/zinc/60/73/58/548607358.db2.gz WBJWVBLPTHMLSW-HOTGVXAUSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC000195266920 548607363 /nfs/dbraw/zinc/60/73/63/548607363.db2.gz WBJWVBLPTHMLSW-HOTGVXAUSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000195266920 548607366 /nfs/dbraw/zinc/60/73/66/548607366.db2.gz WBJWVBLPTHMLSW-HOTGVXAUSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000195266920 548607370 /nfs/dbraw/zinc/60/73/70/548607370.db2.gz WBJWVBLPTHMLSW-HOTGVXAUSA-N 2 2 355.548 2.381 10 0 FEAELP Cn1nc(CNc2cc(C3CC([NH3+])C3)[nH+]c(N)n2)c2c1cccc2Cl ZINC000218976619 548691267 /nfs/dbraw/zinc/69/12/67/548691267.db2.gz JIJFSMBHDJYLCZ-UHFFFAOYSA-N 2 2 357.849 2.416 10 0 FEAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000246367765 549116718 /nfs/dbraw/zinc/11/67/18/549116718.db2.gz QUNOSZHPGHWNLA-LMMKCTJWSA-N 2 2 361.530 2.163 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000246574673 549164557 /nfs/dbraw/zinc/16/45/57/549164557.db2.gz ZOCTVBOOEPYWPL-IRXDYDNUSA-N 2 2 354.458 2.036 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000246574673 549164561 /nfs/dbraw/zinc/16/45/61/549164561.db2.gz ZOCTVBOOEPYWPL-IRXDYDNUSA-N 2 2 354.458 2.036 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000247184405 549296255 /nfs/dbraw/zinc/29/62/55/549296255.db2.gz KPRCANNDAQBXPY-KEYYUXOJSA-N 2 2 366.456 2.446 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000247184405 549296261 /nfs/dbraw/zinc/29/62/61/549296261.db2.gz KPRCANNDAQBXPY-KEYYUXOJSA-N 2 2 366.456 2.446 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1CC ZINC000247583575 549362037 /nfs/dbraw/zinc/36/20/37/549362037.db2.gz ZBIRJONUFVHEAE-PMACEKPBSA-N 2 2 361.530 2.119 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1CC ZINC000247583575 549362039 /nfs/dbraw/zinc/36/20/39/549362039.db2.gz ZBIRJONUFVHEAE-PMACEKPBSA-N 2 2 361.530 2.119 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccco2)C1 ZINC000248640978 549474077 /nfs/dbraw/zinc/47/40/77/549474077.db2.gz CCJSIZWDUDHOJW-RBUKOAKNSA-N 2 2 359.470 2.006 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccco2)C1 ZINC000248640978 549474079 /nfs/dbraw/zinc/47/40/79/549474079.db2.gz CCJSIZWDUDHOJW-RBUKOAKNSA-N 2 2 359.470 2.006 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000248640978 549474082 /nfs/dbraw/zinc/47/40/82/549474082.db2.gz CCJSIZWDUDHOJW-RBUKOAKNSA-N 2 2 359.470 2.006 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000248640978 549474085 /nfs/dbraw/zinc/47/40/85/549474085.db2.gz CCJSIZWDUDHOJW-RBUKOAKNSA-N 2 2 359.470 2.006 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000248644876 549474976 /nfs/dbraw/zinc/47/49/76/549474976.db2.gz FVCQXPCVNRTGPO-AZUAARDMSA-N 2 2 373.472 2.414 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000248644876 549474978 /nfs/dbraw/zinc/47/49/78/549474978.db2.gz FVCQXPCVNRTGPO-AZUAARDMSA-N 2 2 373.472 2.414 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000248644876 549474980 /nfs/dbraw/zinc/47/49/80/549474980.db2.gz FVCQXPCVNRTGPO-AZUAARDMSA-N 2 2 373.472 2.414 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000248644876 549474983 /nfs/dbraw/zinc/47/49/83/549474983.db2.gz FVCQXPCVNRTGPO-AZUAARDMSA-N 2 2 373.472 2.414 10 0 FEAELP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000261886631 549765791 /nfs/dbraw/zinc/76/57/91/549765791.db2.gz FYXOLDNNEWCIRX-VAMGGRTRSA-N 3 2 365.562 2.157 10 0 FEAELP CCN(C)c1ccc(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000261934627 549771336 /nfs/dbraw/zinc/77/13/36/549771336.db2.gz LXVKLMNSXJLKLO-GOSISDBHSA-N 2 2 368.529 2.416 10 0 FEAELP CCN(C)c1ccc(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000261934627 549771338 /nfs/dbraw/zinc/77/13/38/549771338.db2.gz LXVKLMNSXJLKLO-GOSISDBHSA-N 2 2 368.529 2.416 10 0 FEAELP CCN(C)c1ccc(CN(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000261934627 549771341 /nfs/dbraw/zinc/77/13/41/549771341.db2.gz LXVKLMNSXJLKLO-GOSISDBHSA-N 2 2 368.529 2.416 10 0 FEAELP Cc1ccc2cccc(Oc3nc[nH+]c(NN4CC[NH+](C)CC4)c3N)c2n1 ZINC000040752266 205079603 /nfs/dbraw/zinc/07/96/03/205079603.db2.gz XGOGIAFLFCCVNK-UHFFFAOYSA-N 2 2 365.441 2.282 10 0 FEAELP COc1cc(O)ccc1[C@H]1[NH2+][C@](CO)(c2ccccc2)[C@H]2C[N@H+](C)C[C@H]21 ZINC000065399388 205346363 /nfs/dbraw/zinc/34/63/63/205346363.db2.gz DIGGQNSZSXFIGN-KOUHRCEDSA-N 2 2 354.450 2.111 10 0 FEAELP COc1cc(O)ccc1[C@H]1[NH2+][C@](CO)(c2ccccc2)[C@H]2C[N@@H+](C)C[C@H]21 ZINC000065399388 205346367 /nfs/dbraw/zinc/34/63/67/205346367.db2.gz DIGGQNSZSXFIGN-KOUHRCEDSA-N 2 2 354.450 2.111 10 0 FEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc4cccnc43)CC2)C1 ZINC000106122224 543203833 /nfs/dbraw/zinc/20/38/33/543203833.db2.gz JFNFHPTYKVJARU-NRFANRHFSA-N 2 2 368.525 2.462 10 0 FEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc4cccnc43)CC2)C1 ZINC000106122224 543203835 /nfs/dbraw/zinc/20/38/35/543203835.db2.gz JFNFHPTYKVJARU-NRFANRHFSA-N 2 2 368.525 2.462 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000106216798 543219168 /nfs/dbraw/zinc/21/91/68/543219168.db2.gz USLASFKRSBAAMJ-KRWDZBQOSA-N 2 2 356.470 2.407 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000106216798 543219172 /nfs/dbraw/zinc/21/91/72/543219172.db2.gz USLASFKRSBAAMJ-KRWDZBQOSA-N 2 2 356.470 2.407 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H]1CC ZINC000116769250 543614907 /nfs/dbraw/zinc/61/49/07/543614907.db2.gz ZBIRJONUFVHEAE-WOJBJXKFSA-N 2 2 361.530 2.119 10 0 FEAELP CC[N@H+](CC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@H](C)C1)C1CC1 ZINC000153326224 544761456 /nfs/dbraw/zinc/76/14/56/544761456.db2.gz DYDFACBFRVKYFA-GDBMZVCRSA-N 2 2 351.516 2.110 10 0 FEAELP CC[N@@H+](CC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@H](C)C1)C1CC1 ZINC000153326224 544761459 /nfs/dbraw/zinc/76/14/59/544761459.db2.gz DYDFACBFRVKYFA-GDBMZVCRSA-N 2 2 351.516 2.110 10 0 FEAELP CC[NH+](CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000153326224 544761465 /nfs/dbraw/zinc/76/14/65/544761465.db2.gz DYDFACBFRVKYFA-GDBMZVCRSA-N 2 2 351.516 2.110 10 0 FEAELP CC[NH+](CC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000153326224 544761469 /nfs/dbraw/zinc/76/14/69/544761469.db2.gz DYDFACBFRVKYFA-GDBMZVCRSA-N 2 2 351.516 2.110 10 0 FEAELP Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2=O)n(C)n1 ZINC000080526841 325134685 /nfs/dbraw/zinc/13/46/85/325134685.db2.gz MXZMIAYSJNYSGV-GOSISDBHSA-N 2 2 364.453 2.199 10 0 FEAELP Cc1noc([C@@H](C)N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000106133817 325585215 /nfs/dbraw/zinc/58/52/15/325585215.db2.gz LXZISZQTGXQJQY-OAHLLOKOSA-N 2 2 352.442 2.443 10 0 FEAELP Cc1ccc([C@H](CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)[NH+](C)C)cc1 ZINC000110319292 325686417 /nfs/dbraw/zinc/68/64/17/325686417.db2.gz XURIFCCOHXFFGX-MSOLQXFVSA-N 2 2 355.486 2.461 10 0 FEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000114823731 325923993 /nfs/dbraw/zinc/92/39/93/325923993.db2.gz ABRCEZBBPPZNLB-IEBWSBKVSA-N 2 2 361.534 2.446 10 0 FEAELP C[C@@H]1CCCN(c2cc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)nc[nH+]2)C1 ZINC000172278526 327192368 /nfs/dbraw/zinc/19/23/68/327192368.db2.gz HMICBVDBZFSQLA-QGZVFWFLSA-N 2 2 369.517 2.159 10 0 FEAELP C[C@@H]1CCCN(c2cc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)nc[nH+]2)C1 ZINC000172278526 327192370 /nfs/dbraw/zinc/19/23/70/327192370.db2.gz HMICBVDBZFSQLA-QGZVFWFLSA-N 2 2 369.517 2.159 10 0 FEAELP C[C@@H](NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000173190576 327239961 /nfs/dbraw/zinc/23/99/61/327239961.db2.gz DYVAOMQVNMPTFD-IXDOHACOSA-N 2 2 371.485 2.342 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)Nc2ccccc2)nc[nH+]1 ZINC000174286423 327317323 /nfs/dbraw/zinc/31/73/23/327317323.db2.gz XMEGRPHVZLHPOF-GDBMZVCRSA-N 2 2 354.458 2.104 10 0 FEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178752949 546844060 /nfs/dbraw/zinc/84/40/60/546844060.db2.gz XNFMEVDHGSCJFK-KRWDZBQOSA-N 2 2 370.453 2.390 10 0 FEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178752949 546844064 /nfs/dbraw/zinc/84/40/64/546844064.db2.gz XNFMEVDHGSCJFK-KRWDZBQOSA-N 2 2 370.453 2.390 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)s1 ZINC000178883888 546867528 /nfs/dbraw/zinc/86/75/28/546867528.db2.gz RYLBGPACJOKRCD-AWEZNQCLSA-N 2 2 350.532 2.122 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccn(-c3ccccc3)n2)nc[nH+]1 ZINC000180255856 547074061 /nfs/dbraw/zinc/07/40/61/547074061.db2.gz GJTPKEMMPKCVIR-SFHVURJKSA-N 2 2 363.469 2.463 10 0 FEAELP COc1cc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)ccc1C ZINC000193901710 548403434 /nfs/dbraw/zinc/40/34/34/548403434.db2.gz ROCUPEMDQLSJJF-FQEVSTJZSA-N 2 2 361.530 2.230 10 0 FEAELP COc1cc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1C ZINC000193901710 548403440 /nfs/dbraw/zinc/40/34/40/548403440.db2.gz ROCUPEMDQLSJJF-FQEVSTJZSA-N 2 2 361.530 2.230 10 0 FEAELP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258453 548605375 /nfs/dbraw/zinc/60/53/75/548605375.db2.gz YQVAOZQBJYCZTM-JKSUJKDBSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258453 548605379 /nfs/dbraw/zinc/60/53/79/548605379.db2.gz YQVAOZQBJYCZTM-JKSUJKDBSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195258453 548605383 /nfs/dbraw/zinc/60/53/83/548605383.db2.gz YQVAOZQBJYCZTM-JKSUJKDBSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195258453 548605388 /nfs/dbraw/zinc/60/53/88/548605388.db2.gz YQVAOZQBJYCZTM-JKSUJKDBSA-N 2 2 352.548 2.462 10 0 FEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195272878 548609668 /nfs/dbraw/zinc/60/96/68/548609668.db2.gz NGZUCPJVOOWCFB-NRFANRHFSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195272878 548609673 /nfs/dbraw/zinc/60/96/73/548609673.db2.gz NGZUCPJVOOWCFB-NRFANRHFSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195272878 548609677 /nfs/dbraw/zinc/60/96/77/548609677.db2.gz NGZUCPJVOOWCFB-NRFANRHFSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195272878 548609682 /nfs/dbraw/zinc/60/96/82/548609682.db2.gz NGZUCPJVOOWCFB-NRFANRHFSA-N 2 2 366.509 2.460 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000246272163 549093710 /nfs/dbraw/zinc/09/37/10/549093710.db2.gz ARTASOPGTDHLEL-VQIMIIECSA-N 2 2 360.502 2.369 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000246272163 549093713 /nfs/dbraw/zinc/09/37/13/549093713.db2.gz ARTASOPGTDHLEL-VQIMIIECSA-N 2 2 360.502 2.369 10 0 FEAELP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000248376077 549424018 /nfs/dbraw/zinc/42/40/18/549424018.db2.gz ZBWMRYYVTCLXDI-NVXWUHKLSA-N 2 2 368.518 2.357 10 0 FEAELP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000248376077 549424020 /nfs/dbraw/zinc/42/40/20/549424020.db2.gz ZBWMRYYVTCLXDI-NVXWUHKLSA-N 2 2 368.518 2.357 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000248661863 549479883 /nfs/dbraw/zinc/47/98/83/549479883.db2.gz XVWFCWFTHDMZKK-VQTJNVASSA-N 2 2 355.482 2.275 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000248661863 549479888 /nfs/dbraw/zinc/47/98/88/549479888.db2.gz XVWFCWFTHDMZKK-VQTJNVASSA-N 2 2 355.482 2.275 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000248661863 549479891 /nfs/dbraw/zinc/47/98/91/549479891.db2.gz XVWFCWFTHDMZKK-VQTJNVASSA-N 2 2 355.482 2.275 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000248661863 549479895 /nfs/dbraw/zinc/47/98/95/549479895.db2.gz XVWFCWFTHDMZKK-VQTJNVASSA-N 2 2 355.482 2.275 10 0 FEAELP C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000261841243 549761615 /nfs/dbraw/zinc/76/16/15/549761615.db2.gz AIQSDUOPEXKVDN-VAMGGRTRSA-N 3 2 365.562 2.016 10 0 FEAELP CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000263528518 549906879 /nfs/dbraw/zinc/90/68/79/549906879.db2.gz VHNVWUJWZHWNLG-OVZGMEQFSA-N 2 2 359.514 2.424 10 0 FEAELP CC[N@@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000263528518 549906882 /nfs/dbraw/zinc/90/68/82/549906882.db2.gz VHNVWUJWZHWNLG-OVZGMEQFSA-N 2 2 359.514 2.424 10 0 FEAELP CC[NH+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000263528518 549906885 /nfs/dbraw/zinc/90/68/85/549906885.db2.gz VHNVWUJWZHWNLG-OVZGMEQFSA-N 2 2 359.514 2.424 10 0 FEAELP CC[NH+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263528518 549906887 /nfs/dbraw/zinc/90/68/87/549906887.db2.gz VHNVWUJWZHWNLG-OVZGMEQFSA-N 2 2 359.514 2.424 10 0 FEAELP Cc1cccc2sc(Nc3nc[nH+]c(NN4CC[NH+](C)CC4)c3N)nc21 ZINC000040756923 205080720 /nfs/dbraw/zinc/08/07/20/205080720.db2.gz SQNMUYWPJFPGHG-UHFFFAOYSA-N 2 2 370.486 2.295 10 0 FEAELP CC(C)c1csc([C@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093176323 542915977 /nfs/dbraw/zinc/91/59/77/542915977.db2.gz RLMXCJRYKPAYIF-HNNXBMFYSA-N 2 2 350.532 2.220 10 0 FEAELP CC(C)c1csc([C@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093176323 542915980 /nfs/dbraw/zinc/91/59/80/542915980.db2.gz RLMXCJRYKPAYIF-HNNXBMFYSA-N 2 2 350.532 2.220 10 0 FEAELP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000104783349 543143518 /nfs/dbraw/zinc/14/35/18/543143518.db2.gz OMDWOWWZFQXQNO-HXUWFJFHSA-N 2 2 374.529 2.048 10 0 FEAELP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000104783349 543143521 /nfs/dbraw/zinc/14/35/21/543143521.db2.gz OMDWOWWZFQXQNO-HXUWFJFHSA-N 2 2 374.529 2.048 10 0 FEAELP Cc1cccc(OCC[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000106123746 543203516 /nfs/dbraw/zinc/20/35/16/543203516.db2.gz REENLJMPJMTNBI-OAQYLSRUSA-N 2 2 361.530 2.101 10 0 FEAELP Cc1cccc(OCC[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000106123746 543203519 /nfs/dbraw/zinc/20/35/19/543203519.db2.gz REENLJMPJMTNBI-OAQYLSRUSA-N 2 2 361.530 2.101 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cn1 ZINC000109662950 543333286 /nfs/dbraw/zinc/33/32/86/543333286.db2.gz KUJOHZGPUMBZAR-UHFFFAOYSA-N 2 2 369.513 2.313 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cn1 ZINC000109662950 543333287 /nfs/dbraw/zinc/33/32/87/543333287.db2.gz KUJOHZGPUMBZAR-UHFFFAOYSA-N 2 2 369.513 2.313 10 0 FEAELP C[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000110594857 543362134 /nfs/dbraw/zinc/36/21/34/543362134.db2.gz DWGATOJKMPOAQB-SJLPKXTDSA-N 2 2 355.486 2.370 10 0 FEAELP C[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000110594857 543362137 /nfs/dbraw/zinc/36/21/37/543362137.db2.gz DWGATOJKMPOAQB-SJLPKXTDSA-N 2 2 355.486 2.370 10 0 FEAELP C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917719 328175842 /nfs/dbraw/zinc/17/58/42/328175842.db2.gz GOPZGSLRVQVSDP-QAPCUYQASA-N 2 2 364.453 2.452 10 0 FEAELP C[N@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000191909195 328288222 /nfs/dbraw/zinc/28/82/22/328288222.db2.gz GBUHTRNZSFIDSW-UHFFFAOYSA-N 2 2 372.469 2.212 10 0 FEAELP C[N@@H+](CC(=O)OC(C)(C)C)C1CCN(C(=O)c2ccc3[nH+]ccn3c2)CC1 ZINC000191909195 328288223 /nfs/dbraw/zinc/28/82/23/328288223.db2.gz GBUHTRNZSFIDSW-UHFFFAOYSA-N 2 2 372.469 2.212 10 0 FEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000171647823 327151712 /nfs/dbraw/zinc/15/17/12/327151712.db2.gz MRPSMOHPCSICIU-OAHLLOKOSA-N 2 2 370.453 2.471 10 0 FEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000171647823 327151713 /nfs/dbraw/zinc/15/17/13/327151713.db2.gz MRPSMOHPCSICIU-OAHLLOKOSA-N 2 2 370.453 2.471 10 0 FEAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000171986653 327174612 /nfs/dbraw/zinc/17/46/12/327174612.db2.gz QGRBVTXVAKPDAY-DLBZAZTESA-N 2 2 361.534 2.242 10 0 FEAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000171986653 327174613 /nfs/dbraw/zinc/17/46/13/327174613.db2.gz QGRBVTXVAKPDAY-DLBZAZTESA-N 2 2 361.534 2.242 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000172247977 327189950 /nfs/dbraw/zinc/18/99/50/327189950.db2.gz KMCRQGRZOORWJS-MRXNPFEDSA-N 2 2 351.454 2.493 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000172247977 327189952 /nfs/dbraw/zinc/18/99/52/327189952.db2.gz KMCRQGRZOORWJS-MRXNPFEDSA-N 2 2 351.454 2.493 10 0 FEAELP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000172755938 327217296 /nfs/dbraw/zinc/21/72/96/327217296.db2.gz MPBHIRZRDHLSDR-HXUWFJFHSA-N 2 2 359.514 2.464 10 0 FEAELP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000172755938 327217297 /nfs/dbraw/zinc/21/72/97/327217297.db2.gz MPBHIRZRDHLSDR-HXUWFJFHSA-N 2 2 359.514 2.464 10 0 FEAELP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177379604 327517900 /nfs/dbraw/zinc/51/79/00/327517900.db2.gz UUBGOUKODGCRLE-QGZVFWFLSA-N 2 2 354.458 2.253 10 0 FEAELP Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c1OC(F)F ZINC000262177928 328848686 /nfs/dbraw/zinc/84/86/86/328848686.db2.gz WAXZFKQIXHQKEX-PWSUYJOCSA-N 2 2 365.218 2.029 10 0 FEAELP Cn1ncc2c1nc[nH+]c2N1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275826733 330093566 /nfs/dbraw/zinc/09/35/66/330093566.db2.gz VCAWNYXWOLELLO-CQSZACIVSA-N 2 2 369.498 2.311 10 0 FEAELP Cn1ncc2c1nc[nH+]c2N1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275826733 330093567 /nfs/dbraw/zinc/09/35/67/330093567.db2.gz VCAWNYXWOLELLO-CQSZACIVSA-N 2 2 369.498 2.311 10 0 FEAELP Cc1ccsc1S(=O)(=O)N1CCC[C@@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000020540412 525863762 /nfs/dbraw/zinc/86/37/62/525863762.db2.gz UHNHYEYFZCQRJH-OAHLLOKOSA-N 2 2 359.561 2.093 10 0 FEAELP Cc1ccsc1S(=O)(=O)N1CCC[C@@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000020540412 525863775 /nfs/dbraw/zinc/86/37/75/525863775.db2.gz UHNHYEYFZCQRJH-OAHLLOKOSA-N 2 2 359.561 2.093 10 0 FEAELP Cc1ccc(C(=O)CC[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000159347474 545945511 /nfs/dbraw/zinc/94/55/11/545945511.db2.gz DNMBNVVOCUAROU-NRFANRHFSA-N 2 2 373.541 2.295 10 0 FEAELP Cc1ccc(C(=O)CC[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000159347474 545945513 /nfs/dbraw/zinc/94/55/13/545945513.db2.gz DNMBNVVOCUAROU-NRFANRHFSA-N 2 2 373.541 2.295 10 0 FEAELP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000175600208 546318777 /nfs/dbraw/zinc/31/87/77/546318777.db2.gz PXAGAEQECRMZGI-SJORKVTESA-N 2 2 357.458 2.487 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000178319219 546775117 /nfs/dbraw/zinc/77/51/17/546775117.db2.gz SUTLDXFCJHZAPY-MRXNPFEDSA-N 2 2 356.426 2.066 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000178319219 546775120 /nfs/dbraw/zinc/77/51/20/546775120.db2.gz SUTLDXFCJHZAPY-MRXNPFEDSA-N 2 2 356.426 2.066 10 0 FEAELP COCc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000179213132 546914918 /nfs/dbraw/zinc/91/49/18/546914918.db2.gz WJBLKUXOMNUCNP-NRFANRHFSA-N 2 2 361.530 2.060 10 0 FEAELP COCc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000179213132 546914922 /nfs/dbraw/zinc/91/49/22/546914922.db2.gz WJBLKUXOMNUCNP-NRFANRHFSA-N 2 2 361.530 2.060 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000179543008 546974581 /nfs/dbraw/zinc/97/45/81/546974581.db2.gz QNNNNULQYIWXLC-QGZVFWFLSA-N 2 2 372.517 2.161 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000179543008 546974583 /nfs/dbraw/zinc/97/45/83/546974583.db2.gz QNNNNULQYIWXLC-QGZVFWFLSA-N 2 2 372.517 2.161 10 0 FEAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180173657 547063135 /nfs/dbraw/zinc/06/31/35/547063135.db2.gz XWELKOYQALMNDQ-HNNXBMFYSA-N 2 2 357.424 2.452 10 0 FEAELP Cc1cccc(CNC(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195271204 548607534 /nfs/dbraw/zinc/60/75/34/548607534.db2.gz RCCLTCMTJCUSTK-NRFANRHFSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1cccc(CNC(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195271204 548607540 /nfs/dbraw/zinc/60/75/40/548607540.db2.gz RCCLTCMTJCUSTK-NRFANRHFSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271204 548607543 /nfs/dbraw/zinc/60/75/43/548607543.db2.gz RCCLTCMTJCUSTK-NRFANRHFSA-N 2 2 366.509 2.460 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288195 548613015 /nfs/dbraw/zinc/61/30/15/548613015.db2.gz IKILUSXZGJJSFH-GOSISDBHSA-N 2 2 363.465 2.043 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288195 548613020 /nfs/dbraw/zinc/61/30/20/548613020.db2.gz IKILUSXZGJJSFH-GOSISDBHSA-N 2 2 363.465 2.043 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288195 548613023 /nfs/dbraw/zinc/61/30/23/548613023.db2.gz IKILUSXZGJJSFH-GOSISDBHSA-N 2 2 363.465 2.043 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288195 548613028 /nfs/dbraw/zinc/61/30/28/548613028.db2.gz IKILUSXZGJJSFH-GOSISDBHSA-N 2 2 363.465 2.043 10 0 FEAELP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000238008600 548871999 /nfs/dbraw/zinc/87/19/99/548871999.db2.gz FCMQLVAAFJTIOY-CVEARBPZSA-N 2 2 365.905 2.381 10 0 FEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000245429565 548917056 /nfs/dbraw/zinc/91/70/56/548917056.db2.gz YRPRHPHJXHERSD-VQTJNVASSA-N 2 2 374.529 2.186 10 0 FEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000245429565 548917060 /nfs/dbraw/zinc/91/70/60/548917060.db2.gz YRPRHPHJXHERSD-VQTJNVASSA-N 2 2 374.529 2.186 10 0 FEAELP CCC[C@H](C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000245759484 548989350 /nfs/dbraw/zinc/98/93/50/548989350.db2.gz IEVGZJLBPHWTAV-ARFHVFGLSA-N 2 2 353.532 2.356 10 0 FEAELP CCC[C@H](C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000245759484 548989355 /nfs/dbraw/zinc/98/93/55/548989355.db2.gz IEVGZJLBPHWTAV-ARFHVFGLSA-N 2 2 353.532 2.356 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246781518 549211971 /nfs/dbraw/zinc/21/19/71/549211971.db2.gz CKDBSUMNTOBNQN-RLLQIKCJSA-N 2 2 374.529 2.088 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246781518 549211976 /nfs/dbraw/zinc/21/19/76/549211976.db2.gz CKDBSUMNTOBNQN-RLLQIKCJSA-N 2 2 374.529 2.088 10 0 FEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000247012898 549265875 /nfs/dbraw/zinc/26/58/75/549265875.db2.gz FVCVEDDMGOUTCE-WMZOPIPTSA-N 2 2 357.502 2.450 10 0 FEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000247012898 549265878 /nfs/dbraw/zinc/26/58/78/549265878.db2.gz FVCVEDDMGOUTCE-WMZOPIPTSA-N 2 2 357.502 2.450 10 0 FEAELP CC[NH+](CC)[C@H](C(=O)N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1)c1ccccc1 ZINC000247214749 549299566 /nfs/dbraw/zinc/29/95/66/549299566.db2.gz VOQPNEXDXSBQDZ-IHPCNDPISA-N 2 2 359.514 2.249 10 0 FEAELP CCN(C)c1ccc(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000261934629 549771435 /nfs/dbraw/zinc/77/14/35/549771435.db2.gz LXVKLMNSXJLKLO-SFHVURJKSA-N 2 2 368.529 2.416 10 0 FEAELP CCN(C)c1ccc(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000261934629 549771439 /nfs/dbraw/zinc/77/14/39/549771439.db2.gz LXVKLMNSXJLKLO-SFHVURJKSA-N 2 2 368.529 2.416 10 0 FEAELP CCN(C)c1ccc(CN(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000261934629 549771442 /nfs/dbraw/zinc/77/14/42/549771442.db2.gz LXVKLMNSXJLKLO-SFHVURJKSA-N 2 2 368.529 2.416 10 0 FEAELP COc1ccc(-n2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)n2)cc1 ZINC000261954446 549773899 /nfs/dbraw/zinc/77/38/99/549773899.db2.gz OUFWNOWWJCAESM-VAMGGRTRSA-N 2 2 356.470 2.128 10 0 FEAELP O=C([O-])C[N@H+](CC1CC1)C1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000263529062 549906953 /nfs/dbraw/zinc/90/69/53/549906953.db2.gz VNEFIZZCAZVOJC-UHFFFAOYSA-N 2 2 354.454 2.290 10 0 FEAELP O=C([O-])C[N@@H+](CC1CC1)C1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000263529062 549906955 /nfs/dbraw/zinc/90/69/55/549906955.db2.gz VNEFIZZCAZVOJC-UHFFFAOYSA-N 2 2 354.454 2.290 10 0 FEAELP CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000263528513 549907297 /nfs/dbraw/zinc/90/72/97/549907297.db2.gz VHNVWUJWZHWNLG-FVPXHTFXSA-N 2 2 359.514 2.424 10 0 FEAELP CC[N@@H+](CC(=O)[O-])C1CC([NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000263528513 549907300 /nfs/dbraw/zinc/90/73/00/549907300.db2.gz VHNVWUJWZHWNLG-FVPXHTFXSA-N 2 2 359.514 2.424 10 0 FEAELP CC[NH+](CC(=O)[O-])C1CC([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000263528513 549907304 /nfs/dbraw/zinc/90/73/04/549907304.db2.gz VHNVWUJWZHWNLG-FVPXHTFXSA-N 2 2 359.514 2.424 10 0 FEAELP CC[NH+](CC(=O)[O-])C1CC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263528513 549907308 /nfs/dbraw/zinc/90/73/08/549907308.db2.gz VHNVWUJWZHWNLG-FVPXHTFXSA-N 2 2 359.514 2.424 10 0 FEAELP O[C@@H](CNc1cc[nH+]c2cc(Br)ccc12)C[NH+]1CCOCC1 ZINC000269368902 550186752 /nfs/dbraw/zinc/18/67/52/550186752.db2.gz OSFFSVLXRMYHTO-ZDUSSCGKSA-N 2 2 366.259 2.102 10 0 FEAELP Cc1[nH+]ccn1-c1cncc(N2CC[NH+](Cc3ccc(Cl)cn3)CC2)n1 ZINC000302116811 553704763 /nfs/dbraw/zinc/70/47/63/553704763.db2.gz CIFMBLNGMFHHHF-UHFFFAOYSA-N 2 2 369.860 2.341 10 0 FEAELP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247375490 549325941 /nfs/dbraw/zinc/32/59/41/549325941.db2.gz OGKQLCLQWKAQLN-PKOBYXMFSA-N 2 2 371.481 2.402 10 0 FEAELP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247375490 549325947 /nfs/dbraw/zinc/32/59/47/549325947.db2.gz OGKQLCLQWKAQLN-PKOBYXMFSA-N 2 2 371.481 2.402 10 0 FEAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067734966 541506735 /nfs/dbraw/zinc/50/67/35/541506735.db2.gz GTNSCJFKHBHHKA-UYAOXDASSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067734966 541506739 /nfs/dbraw/zinc/50/67/39/541506739.db2.gz GTNSCJFKHBHHKA-UYAOXDASSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@@H](CON1C(=[NH2+])NC(=[NH2+])NC1(C)C)Cc1cccc(Br)c1 ZINC000084742340 205661122 /nfs/dbraw/zinc/66/11/22/205661122.db2.gz LCMFKZIAVVRZLK-SNVBAGLBSA-N 2 2 368.279 2.240 10 0 FEAELP C[NH2+]C1CC[NH+](Cc2ccc(-c3nc([C@@H]4CCCO4)cc(=O)[nH]3)cc2)CC1 ZINC000096879106 543000074 /nfs/dbraw/zinc/00/00/74/543000074.db2.gz VTASJMFNERXJJZ-IBGZPJMESA-N 2 2 368.481 2.472 10 0 FEAELP CCc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130489 543205526 /nfs/dbraw/zinc/20/55/26/543205526.db2.gz DZSYIKNZWZDMFS-UHFFFAOYSA-N 2 2 369.513 2.480 10 0 FEAELP CCc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130489 543205530 /nfs/dbraw/zinc/20/55/30/543205530.db2.gz DZSYIKNZWZDMFS-UHFFFAOYSA-N 2 2 369.513 2.480 10 0 FEAELP Cn1c2ccccc2nc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128597 543206029 /nfs/dbraw/zinc/20/60/29/543206029.db2.gz UDRXLZHFVXDHHT-UHFFFAOYSA-N 2 2 352.486 2.366 10 0 FEAELP Cn1c2ccccc2nc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128597 543206030 /nfs/dbraw/zinc/20/60/30/543206030.db2.gz UDRXLZHFVXDHHT-UHFFFAOYSA-N 2 2 352.486 2.366 10 0 FEAELP CCOc1ccccc1C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106124068 543203601 /nfs/dbraw/zinc/20/36/01/543203601.db2.gz SYDICDAOMFEMRN-HXUWFJFHSA-N 2 2 361.530 2.312 10 0 FEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000106165089 543211180 /nfs/dbraw/zinc/21/11/80/543211180.db2.gz MWGBQVJQCULYMX-GOSISDBHSA-N 2 2 368.481 2.315 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000113228234 543478513 /nfs/dbraw/zinc/47/85/13/543478513.db2.gz HEZTWZVHDDQXEU-BHIYHBOVSA-N 2 2 359.539 2.472 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000113228234 543478516 /nfs/dbraw/zinc/47/85/16/543478516.db2.gz HEZTWZVHDDQXEU-BHIYHBOVSA-N 2 2 359.539 2.472 10 0 FEAELP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(C[NH+]3CC[C@@H](C[NH+](C)C)C3)c2)C1 ZINC000114479804 543520258 /nfs/dbraw/zinc/52/02/58/543520258.db2.gz YFGUFBCUYNIOBA-SZPZYZBQSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@@H](C[NH+](C)C)C3)c2)C1 ZINC000114479804 543520259 /nfs/dbraw/zinc/52/02/59/543520259.db2.gz YFGUFBCUYNIOBA-SZPZYZBQSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c2)C1 ZINC000114479804 543520261 /nfs/dbraw/zinc/52/02/61/543520261.db2.gz YFGUFBCUYNIOBA-SZPZYZBQSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c2)C1 ZINC000114479804 543520262 /nfs/dbraw/zinc/52/02/62/543520262.db2.gz YFGUFBCUYNIOBA-SZPZYZBQSA-N 4 2 358.574 2.454 10 0 FEAELP CNC(=O)Cc1nc(C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000189910229 328175365 /nfs/dbraw/zinc/17/53/65/328175365.db2.gz ZSTBBDCVMQOUKM-ZDUSSCGKSA-N 2 2 355.467 2.468 10 0 FEAELP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000116429866 326014481 /nfs/dbraw/zinc/01/44/81/326014481.db2.gz WMQSSYNKVVZERX-OAHLLOKOSA-N 2 2 367.563 2.399 10 0 FEAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000116429866 326014485 /nfs/dbraw/zinc/01/44/85/326014485.db2.gz WMQSSYNKVVZERX-OAHLLOKOSA-N 2 2 367.563 2.399 10 0 FEAELP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116429866 326014488 /nfs/dbraw/zinc/01/44/88/326014488.db2.gz WMQSSYNKVVZERX-OAHLLOKOSA-N 2 2 367.563 2.399 10 0 FEAELP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116429866 326014491 /nfs/dbraw/zinc/01/44/91/326014491.db2.gz WMQSSYNKVVZERX-OAHLLOKOSA-N 2 2 367.563 2.399 10 0 FEAELP CNC(=O)C[NH+]1CCC(CN(C)c2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000126963164 326498140 /nfs/dbraw/zinc/49/81/40/326498140.db2.gz IQQXDRRDZVMIAA-UHFFFAOYSA-N 2 2 370.497 2.446 10 0 FEAELP C[NH+](C)[C@H]1CCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000170860067 327103131 /nfs/dbraw/zinc/10/31/31/327103131.db2.gz VPMHIULGXYJIKM-KRWDZBQOSA-N 2 2 368.481 2.319 10 0 FEAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647467 327151153 /nfs/dbraw/zinc/15/11/53/327151153.db2.gz SPXMMFOQMPQWAB-KRWDZBQOSA-N 2 2 354.454 2.140 10 0 FEAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647467 327151154 /nfs/dbraw/zinc/15/11/54/327151154.db2.gz SPXMMFOQMPQWAB-KRWDZBQOSA-N 2 2 354.454 2.140 10 0 FEAELP CCC(CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCCC1 ZINC000173795454 327284625 /nfs/dbraw/zinc/28/46/25/327284625.db2.gz WFFWWLIFNGLMLE-OALUTQOASA-N 2 2 366.550 2.003 10 0 FEAELP CC[NH+](CC)[C@H](C(=O)N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173889212 327291904 /nfs/dbraw/zinc/29/19/04/327291904.db2.gz VOQPNEXDXSBQDZ-SXLOBPIMSA-N 2 2 359.514 2.249 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000178286557 546769203 /nfs/dbraw/zinc/76/92/03/546769203.db2.gz LOSKTFFKRYWYPX-QGZVFWFLSA-N 2 2 362.499 2.106 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000178286557 546769209 /nfs/dbraw/zinc/76/92/09/546769209.db2.gz LOSKTFFKRYWYPX-QGZVFWFLSA-N 2 2 362.499 2.106 10 0 FEAELP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178751527 546843024 /nfs/dbraw/zinc/84/30/24/546843024.db2.gz CEPHYFLJIXOXFE-SFHVURJKSA-N 2 2 370.453 2.471 10 0 FEAELP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178751527 546843026 /nfs/dbraw/zinc/84/30/26/546843026.db2.gz CEPHYFLJIXOXFE-SFHVURJKSA-N 2 2 370.453 2.471 10 0 FEAELP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178754525 546844736 /nfs/dbraw/zinc/84/47/36/546844736.db2.gz RREWEZXWNZAMAN-GOSISDBHSA-N 2 2 369.469 2.044 10 0 FEAELP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178754525 546844741 /nfs/dbraw/zinc/84/47/41/546844741.db2.gz RREWEZXWNZAMAN-GOSISDBHSA-N 2 2 369.469 2.044 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cn(C)nc2C(C)(C)C)nc[nH+]1 ZINC000179424128 546950668 /nfs/dbraw/zinc/95/06/68/546950668.db2.gz ATFJOHNIKVOOQA-OAHLLOKOSA-N 2 2 357.506 2.308 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)N(C)C ZINC000180128544 547056296 /nfs/dbraw/zinc/05/62/96/547056296.db2.gz SGVGGHKYNMKYSZ-GOSISDBHSA-N 2 2 356.470 2.323 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)N(C)C ZINC000180128544 547056302 /nfs/dbraw/zinc/05/63/02/547056302.db2.gz SGVGGHKYNMKYSZ-GOSISDBHSA-N 2 2 356.470 2.323 10 0 FEAELP CCC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000245912379 549017141 /nfs/dbraw/zinc/01/71/41/549017141.db2.gz MRHDISGAWUQNCR-UXHICEINSA-N 2 2 361.530 2.119 10 0 FEAELP CCC[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCOC ZINC000245912379 549017143 /nfs/dbraw/zinc/01/71/43/549017143.db2.gz MRHDISGAWUQNCR-UXHICEINSA-N 2 2 361.530 2.119 10 0 FEAELP C[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000246053492 549042243 /nfs/dbraw/zinc/04/22/43/549042243.db2.gz DWGATOJKMPOAQB-AEFFLSMTSA-N 2 2 355.486 2.370 10 0 FEAELP C[C@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000246053492 549042249 /nfs/dbraw/zinc/04/22/49/549042249.db2.gz DWGATOJKMPOAQB-AEFFLSMTSA-N 2 2 355.486 2.370 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000246574680 549165511 /nfs/dbraw/zinc/16/55/11/549165511.db2.gz ZOCTVBOOEPYWPL-SJORKVTESA-N 2 2 354.458 2.036 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000246574680 549165513 /nfs/dbraw/zinc/16/55/13/549165513.db2.gz ZOCTVBOOEPYWPL-SJORKVTESA-N 2 2 354.458 2.036 10 0 FEAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000246685117 549188805 /nfs/dbraw/zinc/18/88/05/549188805.db2.gz JAFPJPLOZYXUTP-CVEARBPZSA-N 2 2 355.438 2.401 10 0 FEAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000246685117 549188808 /nfs/dbraw/zinc/18/88/08/549188808.db2.gz JAFPJPLOZYXUTP-CVEARBPZSA-N 2 2 355.438 2.401 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)C[C@H]1CC ZINC000246901001 549238892 /nfs/dbraw/zinc/23/88/92/549238892.db2.gz AIIKLLFZBCSNKX-IAGOWNOFSA-N 2 2 366.506 2.025 10 0 FEAELP CC1(C)CO[C@@H](c2ccccc2Cl)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262268743 549805114 /nfs/dbraw/zinc/80/51/14/549805114.db2.gz YGDBEZDODCHPJT-QGZVFWFLSA-N 2 2 365.905 2.314 10 0 FEAELP CC1(C)CO[C@@H](c2ccccc2Cl)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262268743 549805118 /nfs/dbraw/zinc/80/51/18/549805118.db2.gz YGDBEZDODCHPJT-QGZVFWFLSA-N 2 2 365.905 2.314 10 0 FEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000263201474 549885220 /nfs/dbraw/zinc/88/52/20/549885220.db2.gz JEBNPKDIFJNLHH-YESZJQIVSA-N 2 2 365.424 2.086 10 0 FEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000263201474 549885221 /nfs/dbraw/zinc/88/52/21/549885221.db2.gz JEBNPKDIFJNLHH-YESZJQIVSA-N 2 2 365.424 2.086 10 0 FEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130078857 672070517 /nfs/dbraw/zinc/07/05/17/672070517.db2.gz FAZZVMJHHCTQRG-SJORKVTESA-N 2 2 355.523 2.334 10 0 FEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130078857 672070522 /nfs/dbraw/zinc/07/05/22/672070522.db2.gz FAZZVMJHHCTQRG-SJORKVTESA-N 2 2 355.523 2.334 10 0 FEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000634976000 677086715 /nfs/dbraw/zinc/08/67/15/677086715.db2.gz LWFBFGWYLKCZSL-LWYYNNOASA-N 2 2 362.539 2.454 10 0 FEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000634976000 677086716 /nfs/dbraw/zinc/08/67/16/677086716.db2.gz LWFBFGWYLKCZSL-LWYYNNOASA-N 2 2 362.539 2.454 10 0 FEAELP COCc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000023541640 539715809 /nfs/dbraw/zinc/71/58/09/539715809.db2.gz GUHVCYULKUNREC-QGZVFWFLSA-N 2 2 365.437 2.227 10 0 FEAELP COCc1cc(=O)[nH]c(-c2ccccc2C[N@H+]2CC[C@@H](n3cc[nH+]c3)C2)n1 ZINC000023541640 539715813 /nfs/dbraw/zinc/71/58/13/539715813.db2.gz GUHVCYULKUNREC-QGZVFWFLSA-N 2 2 365.437 2.227 10 0 FEAELP C[NH+](C)C[C@@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000048216985 540351793 /nfs/dbraw/zinc/35/17/93/540351793.db2.gz BXLOWBBZGBVLNY-GOSISDBHSA-N 2 2 351.454 2.479 10 0 FEAELP C[C@@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000247385289 549326987 /nfs/dbraw/zinc/32/69/87/549326987.db2.gz FYABSNUKBSQNAY-OALUTQOASA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000247385289 549326989 /nfs/dbraw/zinc/32/69/89/549326989.db2.gz FYABSNUKBSQNAY-OALUTQOASA-N 2 2 374.529 2.013 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000247380057 549327210 /nfs/dbraw/zinc/32/72/10/549327210.db2.gz PRWSZVPDOXXYGI-RLLQIKCJSA-N 2 2 374.529 2.088 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000247380057 549327212 /nfs/dbraw/zinc/32/72/12/549327212.db2.gz PRWSZVPDOXXYGI-RLLQIKCJSA-N 2 2 374.529 2.088 10 0 FEAELP CCCn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CC[C@@H]([NH2+]C1CCCC1)C2 ZINC000014744779 204587259 /nfs/dbraw/zinc/58/72/59/204587259.db2.gz XTRLVUHLQOKIIN-QGZVFWFLSA-N 2 2 373.545 2.070 10 0 FEAELP C[NH+]1CCN(Nc2[nH+]cnc(Sc3ccc(Cl)cc3)c2N)CC1 ZINC000040723000 205078867 /nfs/dbraw/zinc/07/88/67/205078867.db2.gz UIUFENDVXILQQB-UHFFFAOYSA-N 2 2 350.879 2.438 10 0 FEAELP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812727 542887669 /nfs/dbraw/zinc/88/76/69/542887669.db2.gz SZWZDQUUKZSFOG-QGZVFWFLSA-N 2 2 368.481 2.483 10 0 FEAELP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000092812727 542887672 /nfs/dbraw/zinc/88/76/72/542887672.db2.gz SZWZDQUUKZSFOG-QGZVFWFLSA-N 2 2 368.481 2.483 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000106216367 543219219 /nfs/dbraw/zinc/21/92/19/543219219.db2.gz UNMPZICDKVFSNH-INIZCTEOSA-N 2 2 370.453 2.492 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000106216367 543219223 /nfs/dbraw/zinc/21/92/23/543219223.db2.gz UNMPZICDKVFSNH-INIZCTEOSA-N 2 2 370.453 2.492 10 0 FEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000106430173 543229894 /nfs/dbraw/zinc/22/98/94/543229894.db2.gz VBDDZNGNBDTPCS-LJQANCHMSA-N 2 2 352.482 2.471 10 0 FEAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)cn1 ZINC000109664645 543333320 /nfs/dbraw/zinc/33/33/20/543333320.db2.gz BPBJMXOQBLHNHO-IBGZPJMESA-N 2 2 361.534 2.202 10 0 FEAELP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCC[NH+]3CC)CC2)cn1 ZINC000109664645 543333323 /nfs/dbraw/zinc/33/33/23/543333323.db2.gz BPBJMXOQBLHNHO-IBGZPJMESA-N 2 2 361.534 2.202 10 0 FEAELP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)cn1 ZINC000109664645 543333326 /nfs/dbraw/zinc/33/33/26/543333326.db2.gz BPBJMXOQBLHNHO-IBGZPJMESA-N 2 2 361.534 2.202 10 0 FEAELP CCCn1cc(C[NH+]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3CC)CC2)cn1 ZINC000109664645 543333328 /nfs/dbraw/zinc/33/33/28/543333328.db2.gz BPBJMXOQBLHNHO-IBGZPJMESA-N 2 2 361.534 2.202 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000115807049 543587442 /nfs/dbraw/zinc/58/74/42/543587442.db2.gz RBMMXZACLGFXOV-BBRMVZONSA-N 2 2 354.445 2.351 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000115807049 543587444 /nfs/dbraw/zinc/58/74/44/543587444.db2.gz RBMMXZACLGFXOV-BBRMVZONSA-N 2 2 354.445 2.351 10 0 FEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000151276028 544523688 /nfs/dbraw/zinc/52/36/88/544523688.db2.gz JKJRPNWDVWVLHL-PKOBYXMFSA-N 2 2 372.513 2.497 10 0 FEAELP COc1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)nn1C ZINC000192356998 328314856 /nfs/dbraw/zinc/31/48/56/328314856.db2.gz NLPJLGPLYLEXIE-SFHVURJKSA-N 2 2 358.486 2.118 10 0 FEAELP COc1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)nn1C ZINC000192356998 328314857 /nfs/dbraw/zinc/31/48/57/328314857.db2.gz NLPJLGPLYLEXIE-SFHVURJKSA-N 2 2 358.486 2.118 10 0 FEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000120850575 326293414 /nfs/dbraw/zinc/29/34/14/326293414.db2.gz RVCQMDGBKIFVFM-CTNGQTDRSA-N 2 2 373.541 2.421 10 0 FEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000120850575 326293416 /nfs/dbraw/zinc/29/34/16/326293416.db2.gz RVCQMDGBKIFVFM-CTNGQTDRSA-N 2 2 373.541 2.421 10 0 FEAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173860349 327289627 /nfs/dbraw/zinc/28/96/27/327289627.db2.gz FYMAWNCGNLZRDY-MSOLQXFVSA-N 2 2 366.550 2.003 10 0 FEAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173860349 327289628 /nfs/dbraw/zinc/28/96/28/327289628.db2.gz FYMAWNCGNLZRDY-MSOLQXFVSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000173979243 327299301 /nfs/dbraw/zinc/29/93/01/327299301.db2.gz ODSLOTVFYRXSGA-MAUKXSAKSA-N 2 2 371.481 2.287 10 0 FEAELP O=C(CC[C@H]1CC[NH2+]C1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000261741880 328816129 /nfs/dbraw/zinc/81/61/29/328816129.db2.gz GPBBAGRTEKYLSF-NSHDSACASA-N 2 2 351.248 2.103 10 0 FEAELP COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262018860 328835564 /nfs/dbraw/zinc/83/55/64/328835564.db2.gz VXJPAUBEGQQJMP-MAUKXSAKSA-N 2 2 365.905 2.171 10 0 FEAELP Cc1ccc2[nH+]c(CSCc3nc([C@@H]4C[NH2+]CCN4C)no3)cn2c1 ZINC000263209137 328925221 /nfs/dbraw/zinc/92/52/21/328925221.db2.gz KCGOAFXYAFMSLA-AWEZNQCLSA-N 2 2 358.471 2.035 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000175774926 546346950 /nfs/dbraw/zinc/34/69/50/546346950.db2.gz FSVSGUOVZWWEFY-HXUWFJFHSA-N 2 2 367.497 2.424 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000175774926 546346956 /nfs/dbraw/zinc/34/69/56/546346956.db2.gz FSVSGUOVZWWEFY-HXUWFJFHSA-N 2 2 367.497 2.424 10 0 FEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000178291349 546770259 /nfs/dbraw/zinc/77/02/59/546770259.db2.gz GQXFBGYHJCTOCM-OAHLLOKOSA-N 2 2 358.442 2.312 10 0 FEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000178291349 546770267 /nfs/dbraw/zinc/77/02/67/546770267.db2.gz GQXFBGYHJCTOCM-OAHLLOKOSA-N 2 2 358.442 2.312 10 0 FEAELP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178751351 546843355 /nfs/dbraw/zinc/84/33/55/546843355.db2.gz KMYXLGPJNDDDPD-OAHLLOKOSA-N 2 2 356.426 2.081 10 0 FEAELP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178751351 546843358 /nfs/dbraw/zinc/84/33/58/546843358.db2.gz KMYXLGPJNDDDPD-OAHLLOKOSA-N 2 2 356.426 2.081 10 0 FEAELP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178754541 546844845 /nfs/dbraw/zinc/84/48/45/546844845.db2.gz RREWEZXWNZAMAN-SFHVURJKSA-N 2 2 369.469 2.044 10 0 FEAELP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178754541 546844851 /nfs/dbraw/zinc/84/48/51/546844851.db2.gz RREWEZXWNZAMAN-SFHVURJKSA-N 2 2 369.469 2.044 10 0 FEAELP COc1cccc([C@@H](C)[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000246452303 549136084 /nfs/dbraw/zinc/13/60/84/549136084.db2.gz FLKGTIICIVBFNH-NQIIRXRSSA-N 2 2 361.530 2.483 10 0 FEAELP COc1cccc([C@@H](C)[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000246452303 549136088 /nfs/dbraw/zinc/13/60/88/549136088.db2.gz FLKGTIICIVBFNH-NQIIRXRSSA-N 2 2 361.530 2.483 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637793 549473579 /nfs/dbraw/zinc/47/35/79/549473579.db2.gz AKWNITMTWLMKNH-HOTGVXAUSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637793 549473580 /nfs/dbraw/zinc/47/35/80/549473580.db2.gz AKWNITMTWLMKNH-HOTGVXAUSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637793 549473583 /nfs/dbraw/zinc/47/35/83/549473583.db2.gz AKWNITMTWLMKNH-HOTGVXAUSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637793 549473586 /nfs/dbraw/zinc/47/35/86/549473586.db2.gz AKWNITMTWLMKNH-HOTGVXAUSA-N 2 2 350.532 2.215 10 0 FEAELP OCCC[NH+]1CCC([C@H]2c3nccn3CCC[N@H+]2Cc2cccnc2)CC1 ZINC000257192550 549715837 /nfs/dbraw/zinc/71/58/37/549715837.db2.gz UYVBJOZHPMJWSK-FQEVSTJZSA-N 2 2 369.513 2.320 10 0 FEAELP OCCC[NH+]1CCC([C@H]2c3nccn3CCC[N@@H+]2Cc2cccnc2)CC1 ZINC000257192550 549715841 /nfs/dbraw/zinc/71/58/41/549715841.db2.gz UYVBJOZHPMJWSK-FQEVSTJZSA-N 2 2 369.513 2.320 10 0 FEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652742 549738892 /nfs/dbraw/zinc/73/88/92/549738892.db2.gz GLPWOUNWKACTNA-NXHRZFHOSA-N 2 2 355.486 2.465 10 0 FEAELP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652742 549738896 /nfs/dbraw/zinc/73/88/96/549738896.db2.gz GLPWOUNWKACTNA-NXHRZFHOSA-N 2 2 355.486 2.465 10 0 FEAELP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000262564918 549828420 /nfs/dbraw/zinc/82/84/20/549828420.db2.gz WJXBTFRLSWQMJU-HNNXBMFYSA-N 2 2 368.319 2.481 10 0 FEAELP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000262564918 549828423 /nfs/dbraw/zinc/82/84/23/549828423.db2.gz WJXBTFRLSWQMJU-HNNXBMFYSA-N 2 2 368.319 2.481 10 0 FEAELP CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cs1 ZINC000263152012 549881667 /nfs/dbraw/zinc/88/16/67/549881667.db2.gz DEBRISIIOLNOCT-CQSZACIVSA-N 2 2 372.485 2.031 10 0 FEAELP Cc1nc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)c2c([nH+]1)CCCC2 ZINC000302030864 553699306 /nfs/dbraw/zinc/69/93/06/553699306.db2.gz BXROHUAXVLAJLF-UHFFFAOYSA-N 2 2 366.513 2.447 10 0 FEAELP CCn1cc[nH+]c1CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000583621387 570811007 /nfs/dbraw/zinc/81/10/07/570811007.db2.gz AFGHQWUQQGVYRY-IEBWSBKVSA-N 3 2 367.497 2.074 10 0 FEAELP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000074850628 542129020 /nfs/dbraw/zinc/12/90/20/542129020.db2.gz MXLYQECHYMEOFC-AZUAARDMSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000074850628 542129025 /nfs/dbraw/zinc/12/90/25/542129025.db2.gz MXLYQECHYMEOFC-AZUAARDMSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129662 543205952 /nfs/dbraw/zinc/20/59/52/543205952.db2.gz MXAXWDRPNPYZJV-INIZCTEOSA-N 2 2 373.476 2.446 10 0 FEAELP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129662 543205953 /nfs/dbraw/zinc/20/59/53/543205953.db2.gz MXAXWDRPNPYZJV-INIZCTEOSA-N 2 2 373.476 2.446 10 0 FEAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)cn1 ZINC000109664648 543333093 /nfs/dbraw/zinc/33/30/93/543333093.db2.gz BPBJMXOQBLHNHO-LJQANCHMSA-N 2 2 361.534 2.202 10 0 FEAELP CCCn1cc(C[N@H+]2CCCN(C(=O)[C@H]3CCCC[NH+]3CC)CC2)cn1 ZINC000109664648 543333095 /nfs/dbraw/zinc/33/30/95/543333095.db2.gz BPBJMXOQBLHNHO-LJQANCHMSA-N 2 2 361.534 2.202 10 0 FEAELP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)cn1 ZINC000109664648 543333096 /nfs/dbraw/zinc/33/30/96/543333096.db2.gz BPBJMXOQBLHNHO-LJQANCHMSA-N 2 2 361.534 2.202 10 0 FEAELP CCCn1cc(C[NH+]2CCCN(C(=O)[C@H]3CCCC[N@H+]3CC)CC2)cn1 ZINC000109664648 543333097 /nfs/dbraw/zinc/33/30/97/543333097.db2.gz BPBJMXOQBLHNHO-LJQANCHMSA-N 2 2 361.534 2.202 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000113603767 543492778 /nfs/dbraw/zinc/49/27/78/543492778.db2.gz YOCXLLTYCBGGBZ-GDBMZVCRSA-N 2 2 357.433 2.390 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000113603767 543492780 /nfs/dbraw/zinc/49/27/80/543492780.db2.gz YOCXLLTYCBGGBZ-GDBMZVCRSA-N 2 2 357.433 2.390 10 0 FEAELP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)[NH+]2CCCC2)cc1 ZINC000131091400 544176699 /nfs/dbraw/zinc/17/66/99/544176699.db2.gz XPAKBQOSRDZXDG-ICSRJNTNSA-N 2 2 374.529 2.152 10 0 FEAELP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)[NH+]2CCCC2)cc1 ZINC000131091028 544176762 /nfs/dbraw/zinc/17/67/62/544176762.db2.gz XPAKBQOSRDZXDG-QUCCMNQESA-N 2 2 374.529 2.152 10 0 FEAELP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000151260530 544521561 /nfs/dbraw/zinc/52/15/61/544521561.db2.gz HNRGWGXWVMKEFQ-HNAYVOBHSA-N 2 2 360.502 2.468 10 0 FEAELP CCc1nn(C)c(Cl)c1CN1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182759073 327787889 /nfs/dbraw/zinc/78/78/89/327787889.db2.gz XSBQTNNPRARHJR-UHFFFAOYSA-N 2 2 350.898 2.040 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000190899428 328239176 /nfs/dbraw/zinc/23/91/76/328239176.db2.gz IQLIYGFNAKTFAR-OAHLLOKOSA-N 2 2 350.894 2.044 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000190899428 328239177 /nfs/dbraw/zinc/23/91/77/328239177.db2.gz IQLIYGFNAKTFAR-OAHLLOKOSA-N 2 2 350.894 2.044 10 0 FEAELP COCCN(C)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000191304793 328259006 /nfs/dbraw/zinc/25/90/06/328259006.db2.gz OXYMFKUXHPYNTI-GOSISDBHSA-N 2 2 355.486 2.493 10 0 FEAELP COCCN(C)c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cn1 ZINC000191304793 328259007 /nfs/dbraw/zinc/25/90/07/328259007.db2.gz OXYMFKUXHPYNTI-GOSISDBHSA-N 2 2 355.486 2.493 10 0 FEAELP Cc1csc([C@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)n1 ZINC000191468156 328267180 /nfs/dbraw/zinc/26/71/80/328267180.db2.gz YKFQSYOBBBCAPL-QGZVFWFLSA-N 2 2 352.548 2.241 10 0 FEAELP COc1cccc([C@@H](CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)[NH+](C)C)c1 ZINC000110113977 325683569 /nfs/dbraw/zinc/68/35/69/325683569.db2.gz ZGUDMXMEPKJKSP-SJLPKXTDSA-N 2 2 371.485 2.161 10 0 FEAELP COCC[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1C ZINC000120783120 326287621 /nfs/dbraw/zinc/28/76/21/326287621.db2.gz BSEYHIUNARGRRZ-CYBMUJFWSA-N 2 2 367.291 2.249 10 0 FEAELP COCC[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1C ZINC000120783120 326287622 /nfs/dbraw/zinc/28/76/22/326287622.db2.gz BSEYHIUNARGRRZ-CYBMUJFWSA-N 2 2 367.291 2.249 10 0 FEAELP CCOc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000121022948 326306954 /nfs/dbraw/zinc/30/69/54/326306954.db2.gz VEOQZXHKCRGYSP-OAQYLSRUSA-N 2 2 361.530 2.312 10 0 FEAELP CCOc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000121022948 326306956 /nfs/dbraw/zinc/30/69/56/326306956.db2.gz VEOQZXHKCRGYSP-OAQYLSRUSA-N 2 2 361.530 2.312 10 0 FEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000150913096 326670924 /nfs/dbraw/zinc/67/09/24/326670924.db2.gz HZZHVFJGAPEULV-QGZVFWFLSA-N 2 2 357.458 2.055 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000162475854 327026822 /nfs/dbraw/zinc/02/68/22/327026822.db2.gz OAGMLEANVHEZQF-YOEHRIQHSA-N 2 2 361.490 2.077 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000162475854 327026823 /nfs/dbraw/zinc/02/68/23/327026823.db2.gz OAGMLEANVHEZQF-YOEHRIQHSA-N 2 2 361.490 2.077 10 0 FEAELP COC(=O)c1oc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000170942249 327108959 /nfs/dbraw/zinc/10/89/59/327108959.db2.gz ACOGNNCNTSYWDW-UHFFFAOYSA-N 2 2 360.458 2.168 10 0 FEAELP COC(=O)c1oc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1C ZINC000170942249 327108960 /nfs/dbraw/zinc/10/89/60/327108960.db2.gz ACOGNNCNTSYWDW-UHFFFAOYSA-N 2 2 360.458 2.168 10 0 FEAELP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)CC2)cs1 ZINC000171922380 327170388 /nfs/dbraw/zinc/17/03/88/327170388.db2.gz NUVKBMPYIABGSR-GOSISDBHSA-N 2 2 362.543 2.360 10 0 FEAELP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)CC2)cs1 ZINC000171922380 327170389 /nfs/dbraw/zinc/17/03/89/327170389.db2.gz NUVKBMPYIABGSR-GOSISDBHSA-N 2 2 362.543 2.360 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)Nc2ccccc2C)nc[nH+]1 ZINC000174285353 327316937 /nfs/dbraw/zinc/31/69/37/327316937.db2.gz FGUOIVCVEUVDMJ-HOTGVXAUSA-N 2 2 368.485 2.412 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)nc[nH+]1 ZINC000174287001 327317226 /nfs/dbraw/zinc/31/72/26/327317226.db2.gz LAUYAWAQYSTRCY-BBRMVZONSA-N 2 2 372.448 2.243 10 0 FEAELP C[NH+]1CCC(C(=O)N2CC[C@@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000275567155 523749246 /nfs/dbraw/zinc/74/92/46/523749246.db2.gz IPGQSKXGEFGDNJ-QGZVFWFLSA-N 2 2 358.486 2.003 10 0 FEAELP Cc1cc(-n2nncc2C[NH+]2CCC([NH3+])CC2)ccc1Br ZINC000228999696 526080555 /nfs/dbraw/zinc/08/05/55/526080555.db2.gz HKSLTWBFZPPUET-UHFFFAOYSA-N 2 2 350.264 2.261 10 0 FEAELP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178751338 546843104 /nfs/dbraw/zinc/84/31/04/546843104.db2.gz KMYXLGPJNDDDPD-HNNXBMFYSA-N 2 2 356.426 2.081 10 0 FEAELP COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178751338 546843109 /nfs/dbraw/zinc/84/31/09/546843109.db2.gz KMYXLGPJNDDDPD-HNNXBMFYSA-N 2 2 356.426 2.081 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000179781400 547012325 /nfs/dbraw/zinc/01/23/25/547012325.db2.gz NGLCUYUGDNSTBG-SJLPKXTDSA-N 2 2 358.486 2.219 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000179781400 547012330 /nfs/dbraw/zinc/01/23/30/547012330.db2.gz NGLCUYUGDNSTBG-SJLPKXTDSA-N 2 2 358.486 2.219 10 0 FEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000184320555 547806961 /nfs/dbraw/zinc/80/69/61/547806961.db2.gz YBZCNRZNSYCKLA-IBGZPJMESA-N 2 2 374.460 2.437 10 0 FEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000184320555 547806964 /nfs/dbraw/zinc/80/69/64/547806964.db2.gz YBZCNRZNSYCKLA-IBGZPJMESA-N 2 2 374.460 2.437 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1)c1ccccc1 ZINC000184960431 547907226 /nfs/dbraw/zinc/90/72/26/547907226.db2.gz DHBXUNKLKLXMRY-LJQANCHMSA-N 2 2 355.486 2.008 10 0 FEAELP COC(=O)c1ccccc1CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000186975497 548233168 /nfs/dbraw/zinc/23/31/68/548233168.db2.gz NXOHPEUWSKZJDB-UHFFFAOYSA-N 2 2 370.497 2.309 10 0 FEAELP COC(=O)c1ccccc1CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000186975497 548233170 /nfs/dbraw/zinc/23/31/70/548233170.db2.gz NXOHPEUWSKZJDB-UHFFFAOYSA-N 2 2 370.497 2.309 10 0 FEAELP C[C@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189901872 548314063 /nfs/dbraw/zinc/31/40/63/548314063.db2.gz NXFCCZJGCVARSY-AWEZNQCLSA-N 2 2 355.442 2.291 10 0 FEAELP OC(C[NH+]1CCCC[C@@H]1c1cn[nH]c1)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000194725175 548520495 /nfs/dbraw/zinc/52/04/95/548520495.db2.gz FVHWKAPCXAYJOB-RTBURBONSA-N 2 2 358.490 2.248 10 0 FEAELP OC(C[NH+]1CCCC[C@@H]1c1cn[nH]c1)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000194725175 548520496 /nfs/dbraw/zinc/52/04/96/548520496.db2.gz FVHWKAPCXAYJOB-RTBURBONSA-N 2 2 358.490 2.248 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2)C1 ZINC000195278100 548610706 /nfs/dbraw/zinc/61/07/06/548610706.db2.gz XVWFCWFTHDMZKK-PMACEKPBSA-N 2 2 355.482 2.275 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2)C1 ZINC000195278100 548610708 /nfs/dbraw/zinc/61/07/08/548610708.db2.gz XVWFCWFTHDMZKK-PMACEKPBSA-N 2 2 355.482 2.275 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000195278100 548610712 /nfs/dbraw/zinc/61/07/12/548610712.db2.gz XVWFCWFTHDMZKK-PMACEKPBSA-N 2 2 355.482 2.275 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC000195278100 548610715 /nfs/dbraw/zinc/61/07/15/548610715.db2.gz XVWFCWFTHDMZKK-PMACEKPBSA-N 2 2 355.482 2.275 10 0 FEAELP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000245414265 548912281 /nfs/dbraw/zinc/91/22/81/548912281.db2.gz CDRKTTWCDYRVLQ-HMXCVIKNSA-N 2 2 371.525 2.220 10 0 FEAELP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000245414265 548912284 /nfs/dbraw/zinc/91/22/84/548912284.db2.gz CDRKTTWCDYRVLQ-HMXCVIKNSA-N 2 2 371.525 2.220 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245652703 548966106 /nfs/dbraw/zinc/96/61/06/548966106.db2.gz FAHHSTIDWCTRFF-QGTPRVQTSA-N 2 2 366.456 2.494 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245652703 548966108 /nfs/dbraw/zinc/96/61/08/548966108.db2.gz FAHHSTIDWCTRFF-QGTPRVQTSA-N 2 2 366.456 2.494 10 0 FEAELP CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245652703 548966110 /nfs/dbraw/zinc/96/61/10/548966110.db2.gz FAHHSTIDWCTRFF-QGTPRVQTSA-N 2 2 366.456 2.494 10 0 FEAELP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662650 549479397 /nfs/dbraw/zinc/47/93/97/549479397.db2.gz YQVAOZQBJYCZTM-CVEARBPZSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662650 549479401 /nfs/dbraw/zinc/47/94/01/549479401.db2.gz YQVAOZQBJYCZTM-CVEARBPZSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248662650 549479405 /nfs/dbraw/zinc/47/94/05/549479405.db2.gz YQVAOZQBJYCZTM-CVEARBPZSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248662650 549479406 /nfs/dbraw/zinc/47/94/06/549479406.db2.gz YQVAOZQBJYCZTM-CVEARBPZSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249274653 549575119 /nfs/dbraw/zinc/57/51/19/549575119.db2.gz CMHWQBLEHFPDKW-ICSRJNTNSA-N 2 2 374.529 2.013 10 0 FEAELP CCN(C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249274653 549575123 /nfs/dbraw/zinc/57/51/23/549575123.db2.gz CMHWQBLEHFPDKW-ICSRJNTNSA-N 2 2 374.529 2.013 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000249286686 549576400 /nfs/dbraw/zinc/57/64/00/549576400.db2.gz IORVKENOZNOWKK-RBUKOAKNSA-N 2 2 355.486 2.356 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000249286686 549576404 /nfs/dbraw/zinc/57/64/04/549576404.db2.gz IORVKENOZNOWKK-RBUKOAKNSA-N 2 2 355.486 2.356 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000249807415 549630181 /nfs/dbraw/zinc/63/01/81/549630181.db2.gz BPAMMQJFDRNMID-JKSUJKDBSA-N 2 2 350.532 2.184 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000249807415 549630183 /nfs/dbraw/zinc/63/01/83/549630183.db2.gz BPAMMQJFDRNMID-JKSUJKDBSA-N 2 2 350.532 2.184 10 0 FEAELP [NH3+]C1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000261748526 549751399 /nfs/dbraw/zinc/75/13/99/549751399.db2.gz FBYNNDIDOJKSTE-OAHLLOKOSA-N 2 2 369.868 2.068 10 0 FEAELP [NH3+]C1(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000261748526 549751402 /nfs/dbraw/zinc/75/14/02/549751402.db2.gz FBYNNDIDOJKSTE-OAHLLOKOSA-N 2 2 369.868 2.068 10 0 FEAELP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000261962993 549774762 /nfs/dbraw/zinc/77/47/62/549774762.db2.gz PUMWIMMYGDNGDI-ZCNNSNEGSA-N 2 2 354.498 2.373 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]([NH3+])CC[C@H]1C(F)(F)F ZINC000583619842 570808913 /nfs/dbraw/zinc/80/89/13/570808913.db2.gz OTZDNXFZHIYOGS-FZMZJTMJSA-N 2 2 354.376 2.479 10 0 FEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000158209194 672267249 /nfs/dbraw/zinc/26/72/49/672267249.db2.gz ULBCYNKDSPFJKR-YESZJQIVSA-N 2 2 355.523 2.475 10 0 FEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000158209194 672267254 /nfs/dbraw/zinc/26/72/54/672267254.db2.gz ULBCYNKDSPFJKR-YESZJQIVSA-N 2 2 355.523 2.475 10 0 FEAELP O[C@@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000030903475 539893829 /nfs/dbraw/zinc/89/38/29/539893829.db2.gz QQCGKOWBCQJPES-QFIPXVFZSA-N 2 2 362.477 2.381 10 0 FEAELP O[C@@H](C[NH2+]Cc1ccc(-n2cccn2)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000030903475 539893832 /nfs/dbraw/zinc/89/38/32/539893832.db2.gz QQCGKOWBCQJPES-QFIPXVFZSA-N 2 2 362.477 2.381 10 0 FEAELP C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000067734292 541506808 /nfs/dbraw/zinc/50/68/08/541506808.db2.gz JNYFTLBAKWTYMY-UYAOXDASSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000067734292 541506811 /nfs/dbraw/zinc/50/68/11/541506811.db2.gz JNYFTLBAKWTYMY-UYAOXDASSA-N 2 2 374.529 2.061 10 0 FEAELP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000104783351 543143809 /nfs/dbraw/zinc/14/38/09/543143809.db2.gz OMDWOWWZFQXQNO-FQEVSTJZSA-N 2 2 374.529 2.048 10 0 FEAELP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000104783351 543143812 /nfs/dbraw/zinc/14/38/12/543143812.db2.gz OMDWOWWZFQXQNO-FQEVSTJZSA-N 2 2 374.529 2.048 10 0 FEAELP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000105201374 543164365 /nfs/dbraw/zinc/16/43/65/543164365.db2.gz QEGKLWSNKGKRSW-FQEVSTJZSA-N 2 2 374.529 2.015 10 0 FEAELP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000105201374 543164370 /nfs/dbraw/zinc/16/43/70/543164370.db2.gz QEGKLWSNKGKRSW-FQEVSTJZSA-N 2 2 374.529 2.015 10 0 FEAELP C[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000110594854 543362429 /nfs/dbraw/zinc/36/24/29/543362429.db2.gz DWGATOJKMPOAQB-FUHWJXTLSA-N 2 2 355.486 2.370 10 0 FEAELP C[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000110594854 543362430 /nfs/dbraw/zinc/36/24/30/543362430.db2.gz DWGATOJKMPOAQB-FUHWJXTLSA-N 2 2 355.486 2.370 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111816707 543417610 /nfs/dbraw/zinc/41/76/10/543417610.db2.gz CNOUJUODVNSLDW-AWEZNQCLSA-N 2 2 353.536 2.009 10 0 FEAELP C[NH+](C)C[C@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000127147947 543975287 /nfs/dbraw/zinc/97/52/87/543975287.db2.gz HIFINQPZQPNCNX-ROUUACIJSA-N 2 2 353.470 2.262 10 0 FEAELP CCC[C@@H](C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)[NH+](C)C ZINC000130972386 544172624 /nfs/dbraw/zinc/17/26/24/544172624.db2.gz DLWOWQAOSYYFLS-HOTGVXAUSA-N 2 2 353.532 2.310 10 0 FEAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(C)CC3)CC2)cn1 ZINC000136787492 544379120 /nfs/dbraw/zinc/37/91/20/544379120.db2.gz KFPKBHZPSJLWAE-UHFFFAOYSA-N 2 2 361.534 2.059 10 0 FEAELP CCCn1cc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C)CC3)CC2)cn1 ZINC000136787492 544379123 /nfs/dbraw/zinc/37/91/23/544379123.db2.gz KFPKBHZPSJLWAE-UHFFFAOYSA-N 2 2 361.534 2.059 10 0 FEAELP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102372 544505110 /nfs/dbraw/zinc/50/51/10/544505110.db2.gz OGKQLCLQWKAQLN-IEBWSBKVSA-N 2 2 371.481 2.402 10 0 FEAELP COc1ccccc1COC[C@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102372 544505111 /nfs/dbraw/zinc/50/51/11/544505111.db2.gz OGKQLCLQWKAQLN-IEBWSBKVSA-N 2 2 371.481 2.402 10 0 FEAELP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151108189 544505898 /nfs/dbraw/zinc/50/58/98/544505898.db2.gz QGUWBCMKPQYUMN-MJGOQNOKSA-N 2 2 369.465 2.458 10 0 FEAELP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151108189 544505900 /nfs/dbraw/zinc/50/59/00/544505900.db2.gz QGUWBCMKPQYUMN-MJGOQNOKSA-N 2 2 369.465 2.458 10 0 FEAELP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000190971525 328242848 /nfs/dbraw/zinc/24/28/48/328242848.db2.gz RXHGCTOSJPPYBK-INIZCTEOSA-N 2 2 355.490 2.128 10 0 FEAELP C[C@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000191045757 328247357 /nfs/dbraw/zinc/24/73/57/328247357.db2.gz RCDAVHUZIMPRCV-NSHDSACASA-N 2 2 351.336 2.272 10 0 FEAELP C[N@H+](Cc1cccc2c1OCCO2)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942158 327108797 /nfs/dbraw/zinc/10/87/97/327108797.db2.gz RZHXZTGZWJTHAW-UHFFFAOYSA-N 2 2 356.470 2.251 10 0 FEAELP C[N@@H+](Cc1cccc2c1OCCO2)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942158 327108799 /nfs/dbraw/zinc/10/87/99/327108799.db2.gz RZHXZTGZWJTHAW-UHFFFAOYSA-N 2 2 356.470 2.251 10 0 FEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCCOc1cccc(F)c1 ZINC000171641766 327150861 /nfs/dbraw/zinc/15/08/61/327150861.db2.gz QMXHHQZEHAPKKC-MRXNPFEDSA-N 2 2 372.444 2.150 10 0 FEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCCOc1cccc(F)c1 ZINC000171641766 327150862 /nfs/dbraw/zinc/15/08/62/327150862.db2.gz QMXHHQZEHAPKKC-MRXNPFEDSA-N 2 2 372.444 2.150 10 0 FEAELP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653451 327152204 /nfs/dbraw/zinc/15/22/04/327152204.db2.gz HMYLTQOQSRMQJL-KRWDZBQOSA-N 2 2 368.481 2.449 10 0 FEAELP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653451 327152205 /nfs/dbraw/zinc/15/22/05/327152205.db2.gz HMYLTQOQSRMQJL-KRWDZBQOSA-N 2 2 368.481 2.449 10 0 FEAELP Cc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)nc(-c2ccncc2)[nH+]1 ZINC000171832176 327164261 /nfs/dbraw/zinc/16/42/61/327164261.db2.gz HPVPHYPFIRHZIX-MRXNPFEDSA-N 2 2 355.486 2.376 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)cn1 ZINC000173156176 327237946 /nfs/dbraw/zinc/23/79/46/327237946.db2.gz BXBWCCILKYCPRX-SFHVURJKSA-N 2 2 361.534 2.202 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)cn1 ZINC000173156176 327237948 /nfs/dbraw/zinc/23/79/48/327237948.db2.gz BXBWCCILKYCPRX-SFHVURJKSA-N 2 2 361.534 2.202 10 0 FEAELP CC[C@H](O)C[NH+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000173163592 327238460 /nfs/dbraw/zinc/23/84/60/327238460.db2.gz WSIZKNRYJWONKQ-HNNXBMFYSA-N 2 2 359.470 2.023 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000173805821 327285419 /nfs/dbraw/zinc/28/54/19/327285419.db2.gz ZOCTVBOOEPYWPL-DLBZAZTESA-N 2 2 354.458 2.036 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000173805821 327285420 /nfs/dbraw/zinc/28/54/20/327285420.db2.gz ZOCTVBOOEPYWPL-DLBZAZTESA-N 2 2 354.458 2.036 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)nc[nH+]1 ZINC000174288960 327317246 /nfs/dbraw/zinc/31/72/46/327317246.db2.gz WWRCLUKERUYGIT-JKSUJKDBSA-N 2 2 362.522 2.111 10 0 FEAELP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000261904717 328828371 /nfs/dbraw/zinc/82/83/71/328828371.db2.gz ICDVXKGYOPCNRH-VSKRKVRLSA-N 3 2 357.542 2.440 10 0 FEAELP COc1ccsc1C(=O)N(Cc1[nH+]ccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000262178033 524870235 /nfs/dbraw/zinc/87/02/35/524870235.db2.gz WETIPOQHMUGXAQ-AWEZNQCLSA-N 2 2 360.483 2.275 10 0 FEAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000159153032 545926340 /nfs/dbraw/zinc/92/63/40/545926340.db2.gz DGYZUIJRLLTWLE-MISYRCLQSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000159153032 545926344 /nfs/dbraw/zinc/92/63/44/545926344.db2.gz DGYZUIJRLLTWLE-MISYRCLQSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000159153032 545926346 /nfs/dbraw/zinc/92/63/46/545926346.db2.gz DGYZUIJRLLTWLE-MISYRCLQSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000159153032 545926350 /nfs/dbraw/zinc/92/63/50/545926350.db2.gz DGYZUIJRLLTWLE-MISYRCLQSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000159153284 545926483 /nfs/dbraw/zinc/92/64/83/545926483.db2.gz DGYZUIJRLLTWLE-YZGWKJHDSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000159153284 545926485 /nfs/dbraw/zinc/92/64/85/545926485.db2.gz DGYZUIJRLLTWLE-YZGWKJHDSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000159153284 545926488 /nfs/dbraw/zinc/92/64/88/545926488.db2.gz DGYZUIJRLLTWLE-YZGWKJHDSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000159153284 545926490 /nfs/dbraw/zinc/92/64/90/545926490.db2.gz DGYZUIJRLLTWLE-YZGWKJHDSA-N 2 2 374.529 2.012 10 0 FEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000177337932 546597119 /nfs/dbraw/zinc/59/71/19/546597119.db2.gz YRPRHPHJXHERSD-PMACEKPBSA-N 2 2 374.529 2.186 10 0 FEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000177337932 546597123 /nfs/dbraw/zinc/59/71/23/546597123.db2.gz YRPRHPHJXHERSD-PMACEKPBSA-N 2 2 374.529 2.186 10 0 FEAELP CCCC[N@H+](C)CC1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000178386516 546785698 /nfs/dbraw/zinc/78/56/98/546785698.db2.gz WZQYKGLOSWUMLG-GOSISDBHSA-N 2 2 361.534 2.386 10 0 FEAELP CCCC[N@@H+](C)CC1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000178386516 546785702 /nfs/dbraw/zinc/78/57/02/546785702.db2.gz WZQYKGLOSWUMLG-GOSISDBHSA-N 2 2 361.534 2.386 10 0 FEAELP CCCC[N@H+](C)CC1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000178386516 546785708 /nfs/dbraw/zinc/78/57/08/546785708.db2.gz WZQYKGLOSWUMLG-GOSISDBHSA-N 2 2 361.534 2.386 10 0 FEAELP CCCC[N@@H+](C)CC1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000178386516 546785715 /nfs/dbraw/zinc/78/57/15/546785715.db2.gz WZQYKGLOSWUMLG-GOSISDBHSA-N 2 2 361.534 2.386 10 0 FEAELP COC(=O)c1ccc(F)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000181925924 547406566 /nfs/dbraw/zinc/40/65/66/547406566.db2.gz CWSDCXZRYJMORO-UHFFFAOYSA-N 2 2 374.460 2.405 10 0 FEAELP COC(=O)c1ccc(F)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000181925924 547406570 /nfs/dbraw/zinc/40/65/70/547406570.db2.gz CWSDCXZRYJMORO-UHFFFAOYSA-N 2 2 374.460 2.405 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COCC(C)C)C1 ZINC000195259119 548604919 /nfs/dbraw/zinc/60/49/19/548604919.db2.gz XGBNAUKCWGPTRC-SJORKVTESA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COCC(C)C)C1 ZINC000195259119 548604924 /nfs/dbraw/zinc/60/49/24/548604924.db2.gz XGBNAUKCWGPTRC-SJORKVTESA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCC(C)C)C1 ZINC000195259119 548604927 /nfs/dbraw/zinc/60/49/27/548604927.db2.gz XGBNAUKCWGPTRC-SJORKVTESA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCC(C)C)C1 ZINC000195259119 548604930 /nfs/dbraw/zinc/60/49/30/548604930.db2.gz XGBNAUKCWGPTRC-SJORKVTESA-N 2 2 355.548 2.239 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2)C1 ZINC000195276839 548609588 /nfs/dbraw/zinc/60/95/88/548609588.db2.gz ZUTVGORXJPICEZ-FQEVSTJZSA-N 2 2 352.482 2.152 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2)C1 ZINC000195276839 548609592 /nfs/dbraw/zinc/60/95/92/548609592.db2.gz ZUTVGORXJPICEZ-FQEVSTJZSA-N 2 2 352.482 2.152 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000195276839 548609597 /nfs/dbraw/zinc/60/95/97/548609597.db2.gz ZUTVGORXJPICEZ-FQEVSTJZSA-N 2 2 352.482 2.152 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000195276839 548609600 /nfs/dbraw/zinc/60/96/00/548609600.db2.gz ZUTVGORXJPICEZ-FQEVSTJZSA-N 2 2 352.482 2.152 10 0 FEAELP CCCC(=O)N[C@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000245202248 548900898 /nfs/dbraw/zinc/90/08/98/548900898.db2.gz YENKCSGOZAWFRR-ZWKOTPCHSA-N 2 2 372.513 2.395 10 0 FEAELP CCCC(=O)N[C@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000245202248 548900902 /nfs/dbraw/zinc/90/09/02/548900902.db2.gz YENKCSGOZAWFRR-ZWKOTPCHSA-N 2 2 372.513 2.395 10 0 FEAELP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000245878668 549008690 /nfs/dbraw/zinc/00/86/90/549008690.db2.gz KMRVDYGNFRBWOB-UXHICEINSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000245878668 549008694 /nfs/dbraw/zinc/00/86/94/549008694.db2.gz KMRVDYGNFRBWOB-UXHICEINSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000245878668 549008698 /nfs/dbraw/zinc/00/86/98/549008698.db2.gz KMRVDYGNFRBWOB-UXHICEINSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000245878668 549008701 /nfs/dbraw/zinc/00/87/01/549008701.db2.gz KMRVDYGNFRBWOB-UXHICEINSA-N 2 2 374.529 2.013 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246781545 549211819 /nfs/dbraw/zinc/21/18/19/549211819.db2.gz CKDBSUMNTOBNQN-YZGWKJHDSA-N 2 2 374.529 2.088 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246781545 549211823 /nfs/dbraw/zinc/21/18/23/549211823.db2.gz CKDBSUMNTOBNQN-YZGWKJHDSA-N 2 2 374.529 2.088 10 0 FEAELP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247032328 549270451 /nfs/dbraw/zinc/27/04/51/549270451.db2.gz MLNOIJAWHPJJRP-RTBURBONSA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247032328 549270453 /nfs/dbraw/zinc/27/04/53/549270453.db2.gz MLNOIJAWHPJJRP-RTBURBONSA-N 2 2 359.470 2.242 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000248664033 549479703 /nfs/dbraw/zinc/47/97/03/549479703.db2.gz IYKAAVHGTWIPPV-MOPGFXCFSA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000248664033 549479705 /nfs/dbraw/zinc/47/97/05/549479705.db2.gz IYKAAVHGTWIPPV-MOPGFXCFSA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000248664033 549479707 /nfs/dbraw/zinc/47/97/07/549479707.db2.gz IYKAAVHGTWIPPV-MOPGFXCFSA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000248664033 549479708 /nfs/dbraw/zinc/47/97/08/549479708.db2.gz IYKAAVHGTWIPPV-MOPGFXCFSA-N 2 2 367.497 2.372 10 0 FEAELP C[C@H]1C[N@@H+]([C@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CCO1 ZINC000248747069 549494683 /nfs/dbraw/zinc/49/46/83/549494683.db2.gz SKOVHHCCFBPEIB-WMLDXEAASA-N 2 2 374.510 2.401 10 0 FEAELP C[C@H]1C[N@H+]([C@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CCO1 ZINC000248747069 549494686 /nfs/dbraw/zinc/49/46/86/549494686.db2.gz SKOVHHCCFBPEIB-WMLDXEAASA-N 2 2 374.510 2.401 10 0 FEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3F)C[C@@H]12 ZINC000261755413 549751354 /nfs/dbraw/zinc/75/13/54/549751354.db2.gz UHAZMOUTKPGSPY-UFGOTCBOSA-N 2 2 356.239 2.196 10 0 FEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3F)C[C@@H]12 ZINC000261755413 549751356 /nfs/dbraw/zinc/75/13/56/549751356.db2.gz UHAZMOUTKPGSPY-UFGOTCBOSA-N 2 2 356.239 2.196 10 0 FEAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261768232 549753417 /nfs/dbraw/zinc/75/34/17/549753417.db2.gz VPBSPINWTZGUNO-FPMFFAJLSA-N 2 2 352.276 2.365 10 0 FEAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261768232 549753418 /nfs/dbraw/zinc/75/34/18/549753418.db2.gz VPBSPINWTZGUNO-FPMFFAJLSA-N 2 2 352.276 2.365 10 0 FEAELP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1ccccc1Cl ZINC000262348404 549813114 /nfs/dbraw/zinc/81/31/14/549813114.db2.gz UIBRHZRWCIUSJA-COXVUDFISA-N 2 2 353.894 2.216 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)c2)C[C@H](C)O1 ZINC000263282326 549892185 /nfs/dbraw/zinc/89/21/85/549892185.db2.gz UMCRCTJVSSTZIJ-DVOMOZLQSA-N 2 2 353.413 2.232 10 0 FEAELP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)c2)C[C@H](C)O1 ZINC000263282326 549892186 /nfs/dbraw/zinc/89/21/86/549892186.db2.gz UMCRCTJVSSTZIJ-DVOMOZLQSA-N 2 2 353.413 2.232 10 0 FEAELP Cc1cc(Br)cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)c1OC(F)F ZINC000262176475 672910147 /nfs/dbraw/zinc/91/01/47/672910147.db2.gz WAXZFKQIXHQKEX-CMPLNLGQSA-N 2 2 365.218 2.029 10 0 FEAELP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCc2sccc2C1 ZINC000105150324 543162367 /nfs/dbraw/zinc/16/23/67/543162367.db2.gz AQZBYDBGMWBQHS-NVXWUHKLSA-N 2 2 362.543 2.374 10 0 FEAELP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCc2sccc2C1 ZINC000105150324 543162370 /nfs/dbraw/zinc/16/23/70/543162370.db2.gz AQZBYDBGMWBQHS-NVXWUHKLSA-N 2 2 362.543 2.374 10 0 FEAELP C[C@H](CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000105150324 543162372 /nfs/dbraw/zinc/16/23/72/543162372.db2.gz AQZBYDBGMWBQHS-NVXWUHKLSA-N 2 2 362.543 2.374 10 0 FEAELP C[C@H](CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000105150324 543162375 /nfs/dbraw/zinc/16/23/75/543162375.db2.gz AQZBYDBGMWBQHS-NVXWUHKLSA-N 2 2 362.543 2.374 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000106215749 543219047 /nfs/dbraw/zinc/21/90/47/543219047.db2.gz TWCYREBBQIFPTB-SFHVURJKSA-N 2 2 370.497 2.450 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000106215749 543219050 /nfs/dbraw/zinc/21/90/50/543219050.db2.gz TWCYREBBQIFPTB-SFHVURJKSA-N 2 2 370.497 2.450 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000106212127 543218468 /nfs/dbraw/zinc/21/84/68/543218468.db2.gz UHADVNJOUXTIOS-KRWDZBQOSA-N 2 2 350.507 2.261 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000106212127 543218470 /nfs/dbraw/zinc/21/84/70/543218470.db2.gz UHADVNJOUXTIOS-KRWDZBQOSA-N 2 2 350.507 2.261 10 0 FEAELP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000190397778 328205364 /nfs/dbraw/zinc/20/53/64/328205364.db2.gz TWUTYORXPQSBMJ-OAHLLOKOSA-N 2 2 350.894 2.092 10 0 FEAELP C[N@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000190397778 328205365 /nfs/dbraw/zinc/20/53/65/328205365.db2.gz TWUTYORXPQSBMJ-OAHLLOKOSA-N 2 2 350.894 2.092 10 0 FEAELP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190397778 328205366 /nfs/dbraw/zinc/20/53/66/328205366.db2.gz TWUTYORXPQSBMJ-OAHLLOKOSA-N 2 2 350.894 2.092 10 0 FEAELP C[NH+]1CCC[C@@H]1CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190397778 328205367 /nfs/dbraw/zinc/20/53/67/328205367.db2.gz TWUTYORXPQSBMJ-OAHLLOKOSA-N 2 2 350.894 2.092 10 0 FEAELP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCOCC2)c1 ZINC000079200824 325080846 /nfs/dbraw/zinc/08/08/46/325080846.db2.gz WCDFDWAAPLUEBO-KRWDZBQOSA-N 2 2 362.518 2.048 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)[C@H](Cc3ccccc3)[NH+](C)C)CC2)s1 ZINC000111622896 325727898 /nfs/dbraw/zinc/72/78/98/325727898.db2.gz ZVJOABRFFDWJPF-IBGZPJMESA-N 2 2 372.538 2.269 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC2)s1 ZINC000111826814 325738394 /nfs/dbraw/zinc/73/83/94/325738394.db2.gz JAXHQSIAPIVKNF-INIZCTEOSA-N 2 2 367.563 2.255 10 0 FEAELP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@@H](C)[NH+](C)C3CC3)CC2)cs1 ZINC000116545925 326022975 /nfs/dbraw/zinc/02/29/75/326022975.db2.gz CUOCJYDTCBVZQC-CQSZACIVSA-N 2 2 365.547 2.152 10 0 FEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@@H](C)[NH+](C)C3CC3)CC2)cs1 ZINC000116545925 326022976 /nfs/dbraw/zinc/02/29/76/326022976.db2.gz CUOCJYDTCBVZQC-CQSZACIVSA-N 2 2 365.547 2.152 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)cs1 ZINC000116545925 326022978 /nfs/dbraw/zinc/02/29/78/326022978.db2.gz CUOCJYDTCBVZQC-CQSZACIVSA-N 2 2 365.547 2.152 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)cs1 ZINC000116545925 326022980 /nfs/dbraw/zinc/02/29/80/326022980.db2.gz CUOCJYDTCBVZQC-CQSZACIVSA-N 2 2 365.547 2.152 10 0 FEAELP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(OC)c1 ZINC000121188813 326320314 /nfs/dbraw/zinc/32/03/14/326320314.db2.gz OCVQVTVHMQSZEN-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(OC)c1 ZINC000121188813 326320315 /nfs/dbraw/zinc/32/03/15/326320315.db2.gz OCVQVTVHMQSZEN-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP Cc1nn(C)c2ncc(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)cc12 ZINC000170942408 327108998 /nfs/dbraw/zinc/10/89/98/327108998.db2.gz IQCNPJLVTLUJFY-UHFFFAOYSA-N 2 2 367.501 2.070 10 0 FEAELP Cc1nn(C)c2ncc(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)cc12 ZINC000170942408 327109000 /nfs/dbraw/zinc/10/90/00/327109000.db2.gz IQCNPJLVTLUJFY-UHFFFAOYSA-N 2 2 367.501 2.070 10 0 FEAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000171986652 327174656 /nfs/dbraw/zinc/17/46/56/327174656.db2.gz QGRBVTXVAKPDAY-IAGOWNOFSA-N 2 2 361.534 2.242 10 0 FEAELP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000171986652 327174657 /nfs/dbraw/zinc/17/46/57/327174657.db2.gz QGRBVTXVAKPDAY-IAGOWNOFSA-N 2 2 361.534 2.242 10 0 FEAELP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173415750 327254753 /nfs/dbraw/zinc/25/47/53/327254753.db2.gz CDRKTTWCDYRVLQ-HLAWJBBLSA-N 2 2 371.525 2.220 10 0 FEAELP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@H]1[NH+]1CCOCC1 ZINC000173415750 327254754 /nfs/dbraw/zinc/25/47/54/327254754.db2.gz CDRKTTWCDYRVLQ-HLAWJBBLSA-N 2 2 371.525 2.220 10 0 FEAELP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173767560 327282804 /nfs/dbraw/zinc/28/28/04/327282804.db2.gz TYNBYCFVMWMOAU-VQTJNVASSA-N 2 2 374.529 2.186 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158817559 545897755 /nfs/dbraw/zinc/89/77/55/545897755.db2.gz MOAMDYOCQVFJBR-PMACEKPBSA-N 3 2 369.513 2.075 10 0 FEAELP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000176860014 546497713 /nfs/dbraw/zinc/49/77/13/546497713.db2.gz MBWLNKKKOSDGCK-MRXNPFEDSA-N 2 2 356.470 2.037 10 0 FEAELP CCc1oc(C(=O)OC)cc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000177133830 546551907 /nfs/dbraw/zinc/55/19/07/546551907.db2.gz VMRNHCQGRLVMCC-UHFFFAOYSA-N 2 2 374.485 2.422 10 0 FEAELP CCc1oc(C(=O)OC)cc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000177133830 546551911 /nfs/dbraw/zinc/55/19/11/546551911.db2.gz VMRNHCQGRLVMCC-UHFFFAOYSA-N 2 2 374.485 2.422 10 0 FEAELP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177396037 546608815 /nfs/dbraw/zinc/60/88/15/546608815.db2.gz PZSBYXKZQQNDLO-LJQANCHMSA-N 2 2 353.470 2.115 10 0 FEAELP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177396037 546608817 /nfs/dbraw/zinc/60/88/17/546608817.db2.gz PZSBYXKZQQNDLO-LJQANCHMSA-N 2 2 353.470 2.115 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745457 546842105 /nfs/dbraw/zinc/84/21/05/546842105.db2.gz SDIROAIKICFOOY-GOSISDBHSA-N 2 2 355.442 2.253 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745457 546842109 /nfs/dbraw/zinc/84/21/09/546842109.db2.gz SDIROAIKICFOOY-GOSISDBHSA-N 2 2 355.442 2.253 10 0 FEAELP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000180126715 547055341 /nfs/dbraw/zinc/05/53/41/547055341.db2.gz OWYPMDJJMJCQJS-QGZVFWFLSA-N 2 2 359.474 2.233 10 0 FEAELP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000180126715 547055344 /nfs/dbraw/zinc/05/53/44/547055344.db2.gz OWYPMDJJMJCQJS-QGZVFWFLSA-N 2 2 359.474 2.233 10 0 FEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000184356197 547812653 /nfs/dbraw/zinc/81/26/53/547812653.db2.gz GQUVPZIEDYELDF-ROUUACIJSA-N 2 2 363.502 2.342 10 0 FEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000184356197 547812656 /nfs/dbraw/zinc/81/26/56/547812656.db2.gz GQUVPZIEDYELDF-ROUUACIJSA-N 2 2 363.502 2.342 10 0 FEAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000246367778 549116781 /nfs/dbraw/zinc/11/67/81/549116781.db2.gz QUNOSZHPGHWNLA-SCTDSRPQSA-N 2 2 361.530 2.163 10 0 FEAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000246367778 549116784 /nfs/dbraw/zinc/11/67/84/549116784.db2.gz QUNOSZHPGHWNLA-SCTDSRPQSA-N 2 2 361.530 2.163 10 0 FEAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246868570 549231101 /nfs/dbraw/zinc/23/11/01/549231101.db2.gz FYMAWNCGNLZRDY-ZWKOTPCHSA-N 2 2 366.550 2.003 10 0 FEAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246868570 549231107 /nfs/dbraw/zinc/23/11/07/549231107.db2.gz FYMAWNCGNLZRDY-ZWKOTPCHSA-N 2 2 366.550 2.003 10 0 FEAELP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261746708 549750596 /nfs/dbraw/zinc/75/05/96/549750596.db2.gz SRULHKFASUPFQH-CORIIIEPSA-N 2 2 352.276 2.365 10 0 FEAELP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261746708 549750597 /nfs/dbraw/zinc/75/05/97/549750597.db2.gz SRULHKFASUPFQH-CORIIIEPSA-N 2 2 352.276 2.365 10 0 FEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3F)C[C@H]12 ZINC000261755410 549751241 /nfs/dbraw/zinc/75/12/41/549751241.db2.gz UHAZMOUTKPGSPY-SUZMYJTESA-N 2 2 356.239 2.196 10 0 FEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3F)C[C@H]12 ZINC000261755410 549751242 /nfs/dbraw/zinc/75/12/42/549751242.db2.gz UHAZMOUTKPGSPY-SUZMYJTESA-N 2 2 356.239 2.196 10 0 FEAELP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000261886632 549766126 /nfs/dbraw/zinc/76/61/26/549766126.db2.gz FYXOLDNNEWCIRX-XUVXKRRUSA-N 3 2 365.562 2.157 10 0 FEAELP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)c2)CCO1 ZINC000261965920 549775557 /nfs/dbraw/zinc/77/55/57/549775557.db2.gz PZMYJYBURGTGKM-CIQXWFTPSA-N 3 2 373.541 2.154 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)c2)CCO1 ZINC000261965920 549775560 /nfs/dbraw/zinc/77/55/60/549775560.db2.gz PZMYJYBURGTGKM-CIQXWFTPSA-N 3 2 373.541 2.154 10 0 FEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262048168 549783905 /nfs/dbraw/zinc/78/39/05/549783905.db2.gz QTJQQROTZYRGAV-KDOFPFPSSA-N 2 2 365.905 2.299 10 0 FEAELP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000048274341 540354873 /nfs/dbraw/zinc/35/48/73/540354873.db2.gz QXWFDCKNASWCCM-LJQANCHMSA-N 2 2 369.513 2.051 10 0 FEAELP Cc1nc(C[N@@H+]2CCOCC3(CC[NH+]([C@@H]4CCOC4)CC3)C2)cs1 ZINC000096078209 209108117 /nfs/dbraw/zinc/10/81/17/209108117.db2.gz ZEGIVVIVKWLGIH-QGZVFWFLSA-N 2 2 351.516 2.155 10 0 FEAELP Cc1nc(C[N@H+]2CCOCC3(CC[NH+]([C@@H]4CCOC4)CC3)C2)cs1 ZINC000096078209 209108118 /nfs/dbraw/zinc/10/81/18/209108118.db2.gz ZEGIVVIVKWLGIH-QGZVFWFLSA-N 2 2 351.516 2.155 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106214422 543218212 /nfs/dbraw/zinc/21/82/12/543218212.db2.gz NLUZVUDGWASMDQ-QGZVFWFLSA-N 2 2 369.469 2.210 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106214422 543218215 /nfs/dbraw/zinc/21/82/15/543218215.db2.gz NLUZVUDGWASMDQ-QGZVFWFLSA-N 2 2 369.469 2.210 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000106216600 543219628 /nfs/dbraw/zinc/21/96/28/543219628.db2.gz CFEUXDUMMDNGBS-INIZCTEOSA-N 2 2 370.453 2.128 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000106216600 543219631 /nfs/dbraw/zinc/21/96/31/543219631.db2.gz CFEUXDUMMDNGBS-INIZCTEOSA-N 2 2 370.453 2.128 10 0 FEAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112719744 543459788 /nfs/dbraw/zinc/45/97/88/543459788.db2.gz HFCMWGRCJRBHBV-FQEVSTJZSA-N 2 2 374.529 2.192 10 0 FEAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112719744 543459791 /nfs/dbraw/zinc/45/97/91/543459791.db2.gz HFCMWGRCJRBHBV-FQEVSTJZSA-N 2 2 374.529 2.192 10 0 FEAELP C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCCC1)c1ccccc1 ZINC000113616761 543493478 /nfs/dbraw/zinc/49/34/78/543493478.db2.gz RZMGUXQCULWQNW-HKUYNNGSSA-N 2 2 374.529 2.280 10 0 FEAELP C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCC1)c1ccccc1 ZINC000113616761 543493480 /nfs/dbraw/zinc/49/34/80/543493480.db2.gz RZMGUXQCULWQNW-HKUYNNGSSA-N 2 2 374.529 2.280 10 0 FEAELP Cn1cc[nH+]c1CC1CCN(C(=O)NCc2cn3ccccc3[nH+]2)CC1 ZINC000127971658 544025175 /nfs/dbraw/zinc/02/51/75/544025175.db2.gz GVIRACFFCAPVMP-UHFFFAOYSA-N 2 2 352.442 2.232 10 0 FEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C1 ZINC000152050848 544610139 /nfs/dbraw/zinc/61/01/39/544610139.db2.gz MGIQPFKJZICFKT-GOSISDBHSA-N 2 2 367.484 2.234 10 0 FEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C1 ZINC000152050848 544610144 /nfs/dbraw/zinc/61/01/44/544610144.db2.gz MGIQPFKJZICFKT-GOSISDBHSA-N 2 2 367.484 2.234 10 0 FEAELP CCN(C)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000191338562 328260748 /nfs/dbraw/zinc/26/07/48/328260748.db2.gz SVWICTTYYOEKCO-UHFFFAOYSA-N 2 2 356.518 2.331 10 0 FEAELP CCN(C)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cn1 ZINC000191338562 328260750 /nfs/dbraw/zinc/26/07/50/328260750.db2.gz SVWICTTYYOEKCO-UHFFFAOYSA-N 2 2 356.518 2.331 10 0 FEAELP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2=O)n(C)n1 ZINC000080526837 325135006 /nfs/dbraw/zinc/13/50/06/325135006.db2.gz MXZMIAYSJNYSGV-SFHVURJKSA-N 2 2 364.453 2.199 10 0 FEAELP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640665 327150760 /nfs/dbraw/zinc/15/07/60/327150760.db2.gz UFLJIFGWPLKOKW-RTBURBONSA-N 2 2 371.481 2.402 10 0 FEAELP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640665 327150761 /nfs/dbraw/zinc/15/07/61/327150761.db2.gz UFLJIFGWPLKOKW-RTBURBONSA-N 2 2 371.481 2.402 10 0 FEAELP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648218 327151737 /nfs/dbraw/zinc/15/17/37/327151737.db2.gz NZNITWDRVADVHM-OAHLLOKOSA-N 2 2 350.422 2.112 10 0 FEAELP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648218 327151738 /nfs/dbraw/zinc/15/17/38/327151738.db2.gz NZNITWDRVADVHM-OAHLLOKOSA-N 2 2 350.422 2.112 10 0 FEAELP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000172755934 327217109 /nfs/dbraw/zinc/21/71/09/327217109.db2.gz MPBHIRZRDHLSDR-FQEVSTJZSA-N 2 2 359.514 2.464 10 0 FEAELP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1)C(C)C ZINC000172755934 327217110 /nfs/dbraw/zinc/21/71/10/327217110.db2.gz MPBHIRZRDHLSDR-FQEVSTJZSA-N 2 2 359.514 2.464 10 0 FEAELP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000175500412 327396295 /nfs/dbraw/zinc/39/62/95/327396295.db2.gz HYUWONNSEKXOTJ-CYBMUJFWSA-N 2 2 354.445 2.351 10 0 FEAELP C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175519732 327397307 /nfs/dbraw/zinc/39/73/07/327397307.db2.gz CEIWIVFSVDHETA-QGZVFWFLSA-N 2 2 371.485 2.345 10 0 FEAELP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177685175 546667410 /nfs/dbraw/zinc/66/74/10/546667410.db2.gz YWQMJENJTUZMSL-INIZCTEOSA-N 2 2 366.421 2.119 10 0 FEAELP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177685175 546667417 /nfs/dbraw/zinc/66/74/17/546667417.db2.gz YWQMJENJTUZMSL-INIZCTEOSA-N 2 2 366.421 2.119 10 0 FEAELP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178285930 546769452 /nfs/dbraw/zinc/76/94/52/546769452.db2.gz WYXXBJRICZDXAJ-MOPGFXCFSA-N 2 2 357.454 2.298 10 0 FEAELP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178285930 546769456 /nfs/dbraw/zinc/76/94/56/546769456.db2.gz WYXXBJRICZDXAJ-MOPGFXCFSA-N 2 2 357.454 2.298 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCCN1CC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178748713 546843691 /nfs/dbraw/zinc/84/36/91/546843691.db2.gz VPXSMZCPZKNGEW-WOJBJXKFSA-N 3 2 356.518 2.325 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCCN1CC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178748713 546843697 /nfs/dbraw/zinc/84/36/97/546843697.db2.gz VPXSMZCPZKNGEW-WOJBJXKFSA-N 3 2 356.518 2.325 10 0 FEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000194952798 548555508 /nfs/dbraw/zinc/55/55/08/548555508.db2.gz ACVMDQQBUNCQGV-RTBURBONSA-N 2 2 359.539 2.473 10 0 FEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000194952798 548555513 /nfs/dbraw/zinc/55/55/13/548555513.db2.gz ACVMDQQBUNCQGV-RTBURBONSA-N 2 2 359.539 2.473 10 0 FEAELP Cc1csc(=O)n1CC[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195253889 548604071 /nfs/dbraw/zinc/60/40/71/548604071.db2.gz LVYXQXDTKINOMC-OAHLLOKOSA-N 2 2 366.556 2.437 10 0 FEAELP Cc1csc(=O)n1CC[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195253889 548604072 /nfs/dbraw/zinc/60/40/72/548604072.db2.gz LVYXQXDTKINOMC-OAHLLOKOSA-N 2 2 366.556 2.437 10 0 FEAELP Cc1csc(=O)n1CC[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195253889 548604074 /nfs/dbraw/zinc/60/40/74/548604074.db2.gz LVYXQXDTKINOMC-OAHLLOKOSA-N 2 2 366.556 2.437 10 0 FEAELP Cc1csc(=O)n1CC[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195253889 548604075 /nfs/dbraw/zinc/60/40/75/548604075.db2.gz LVYXQXDTKINOMC-OAHLLOKOSA-N 2 2 366.556 2.437 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCc2ccccc2)C1 ZINC000195276854 548609264 /nfs/dbraw/zinc/60/92/64/548609264.db2.gz ZUTVGORXJPICEZ-HXUWFJFHSA-N 2 2 352.482 2.152 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCc2ccccc2)C1 ZINC000195276854 548609268 /nfs/dbraw/zinc/60/92/68/548609268.db2.gz ZUTVGORXJPICEZ-HXUWFJFHSA-N 2 2 352.482 2.152 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2)C1 ZINC000195276854 548609272 /nfs/dbraw/zinc/60/92/72/548609272.db2.gz ZUTVGORXJPICEZ-HXUWFJFHSA-N 2 2 352.482 2.152 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2)C1 ZINC000195276854 548609279 /nfs/dbraw/zinc/60/92/79/548609279.db2.gz ZUTVGORXJPICEZ-HXUWFJFHSA-N 2 2 352.482 2.152 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292566 548614039 /nfs/dbraw/zinc/61/40/39/548614039.db2.gz RPPCTNXKKVIOCW-LJQANCHMSA-N 2 2 370.472 2.291 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292566 548614046 /nfs/dbraw/zinc/61/40/46/548614046.db2.gz RPPCTNXKKVIOCW-LJQANCHMSA-N 2 2 370.472 2.291 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292566 548614049 /nfs/dbraw/zinc/61/40/49/548614049.db2.gz RPPCTNXKKVIOCW-LJQANCHMSA-N 2 2 370.472 2.291 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292566 548614052 /nfs/dbraw/zinc/61/40/52/548614052.db2.gz RPPCTNXKKVIOCW-LJQANCHMSA-N 2 2 370.472 2.291 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)c2cc1C ZINC000246102820 549052473 /nfs/dbraw/zinc/05/24/73/549052473.db2.gz BCQPVRIWLDVYRT-CJNGLKHVSA-N 2 2 357.376 2.013 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)c2cc1C ZINC000246102820 549052476 /nfs/dbraw/zinc/05/24/76/549052476.db2.gz BCQPVRIWLDVYRT-CJNGLKHVSA-N 2 2 357.376 2.013 10 0 FEAELP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+]1CCOCC1 ZINC000247002950 549261455 /nfs/dbraw/zinc/26/14/55/549261455.db2.gz PDJGUJAPQRJVJW-IPMKNSEASA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCOCC1 ZINC000247002950 549261457 /nfs/dbraw/zinc/26/14/57/549261457.db2.gz PDJGUJAPQRJVJW-IPMKNSEASA-N 2 2 366.550 2.003 10 0 FEAELP CCC[N@H+](Cc1noc(C[NH3+])n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261681176 549742378 /nfs/dbraw/zinc/74/23/78/549742378.db2.gz IIZSMMWMOBGTMH-UHFFFAOYSA-N 2 2 357.458 2.045 10 0 FEAELP CCC[N@@H+](Cc1noc(C[NH3+])n1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000261681176 549742381 /nfs/dbraw/zinc/74/23/81/549742381.db2.gz IIZSMMWMOBGTMH-UHFFFAOYSA-N 2 2 357.458 2.045 10 0 FEAELP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262029025 549782329 /nfs/dbraw/zinc/78/23/29/549782329.db2.gz XHJQOAZXOTZIPV-ZNMIVQPWSA-N 2 2 359.392 2.269 10 0 FEAELP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000074010872 542026152 /nfs/dbraw/zinc/02/61/52/542026152.db2.gz PDJGUJAPQRJVJW-QRVBRYPASA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000074010872 542026156 /nfs/dbraw/zinc/02/61/56/542026156.db2.gz PDJGUJAPQRJVJW-QRVBRYPASA-N 2 2 366.550 2.003 10 0 FEAELP COc1c(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)nn1C ZINC000092645283 542876409 /nfs/dbraw/zinc/87/64/09/542876409.db2.gz RGJXYYIDVOERMC-UHFFFAOYSA-N 2 2 357.502 2.271 10 0 FEAELP COc1c(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)nn1C ZINC000092645283 542876413 /nfs/dbraw/zinc/87/64/13/542876413.db2.gz RGJXYYIDVOERMC-UHFFFAOYSA-N 2 2 357.502 2.271 10 0 FEAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130006 543205283 /nfs/dbraw/zinc/20/52/83/543205283.db2.gz VCNBVIPYEVGTQF-HDICACEKSA-N 2 2 361.534 2.069 10 0 FEAELP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130006 543205285 /nfs/dbraw/zinc/20/52/85/543205285.db2.gz VCNBVIPYEVGTQF-HDICACEKSA-N 2 2 361.534 2.069 10 0 FEAELP C[N@H+](CC(=O)N(C1CC1)C1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128757 543205965 /nfs/dbraw/zinc/20/59/65/543205965.db2.gz LJXYPNCRJBCFNH-UHFFFAOYSA-N 2 2 373.545 2.213 10 0 FEAELP C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128757 543205966 /nfs/dbraw/zinc/20/59/66/543205966.db2.gz LJXYPNCRJBCFNH-UHFFFAOYSA-N 2 2 373.545 2.213 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000106216989 543219750 /nfs/dbraw/zinc/21/97/50/543219750.db2.gz QVOAWMPEXWSVEI-HNNXBMFYSA-N 2 2 367.453 2.068 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000106216989 543219752 /nfs/dbraw/zinc/21/97/52/543219752.db2.gz QVOAWMPEXWSVEI-HNNXBMFYSA-N 2 2 367.453 2.068 10 0 FEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000106428696 543229686 /nfs/dbraw/zinc/22/96/86/543229686.db2.gz UKCFEEDQGPVJKG-IBGZPJMESA-N 2 2 352.482 2.471 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000111882444 543423083 /nfs/dbraw/zinc/42/30/83/543423083.db2.gz GLZAFLUFDPRAJJ-LSDHHAIUSA-N 2 2 366.456 2.275 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000111882444 543423085 /nfs/dbraw/zinc/42/30/85/543423085.db2.gz GLZAFLUFDPRAJJ-LSDHHAIUSA-N 2 2 366.456 2.275 10 0 FEAELP CCC[C@H](C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000131001334 544173631 /nfs/dbraw/zinc/17/36/31/544173631.db2.gz IEVGZJLBPHWTAV-OAGGEKHMSA-N 2 2 353.532 2.356 10 0 FEAELP CCC[C@H](C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000131001334 544173633 /nfs/dbraw/zinc/17/36/33/544173633.db2.gz IEVGZJLBPHWTAV-OAGGEKHMSA-N 2 2 353.532 2.356 10 0 FEAELP C[C@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000247501665 549346282 /nfs/dbraw/zinc/34/62/82/549346282.db2.gz NUQZWLDFQZMSBT-XLIONFOSSA-N 2 2 374.504 2.033 10 0 FEAELP C[C@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000247501665 549346286 /nfs/dbraw/zinc/34/62/86/549346286.db2.gz NUQZWLDFQZMSBT-XLIONFOSSA-N 2 2 374.504 2.033 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1nnc(CC(C)C)s1 ZINC000137895157 544393404 /nfs/dbraw/zinc/39/34/04/544393404.db2.gz MTUUTGJJXAYCFZ-CQSZACIVSA-N 2 2 362.503 2.345 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1nnc(CC(C)C)s1 ZINC000137895157 544393407 /nfs/dbraw/zinc/39/34/07/544393407.db2.gz MTUUTGJJXAYCFZ-CQSZACIVSA-N 2 2 362.503 2.345 10 0 FEAELP CCOCCN1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1C ZINC000247536120 549353214 /nfs/dbraw/zinc/35/32/14/549353214.db2.gz CMLRGUDZIKRRDX-RBUKOAKNSA-N 2 2 374.529 2.057 10 0 FEAELP CCOCCN1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1C ZINC000247536120 549353219 /nfs/dbraw/zinc/35/32/19/549353219.db2.gz CMLRGUDZIKRRDX-RBUKOAKNSA-N 2 2 374.529 2.057 10 0 FEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000247542703 549353611 /nfs/dbraw/zinc/35/36/11/549353611.db2.gz YOCXLLTYCBGGBZ-HOCLYGCPSA-N 2 2 357.433 2.390 10 0 FEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000247542703 549353613 /nfs/dbraw/zinc/35/36/13/549353613.db2.gz YOCXLLTYCBGGBZ-HOCLYGCPSA-N 2 2 357.433 2.390 10 0 FEAELP CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)[NH+](C)C ZINC000187141361 328004551 /nfs/dbraw/zinc/00/45/51/328004551.db2.gz RYWUWLGDWFCGJX-LJQANCHMSA-N 2 2 360.502 2.020 10 0 FEAELP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000104719698 325543574 /nfs/dbraw/zinc/54/35/74/325543574.db2.gz QYGITBZPFNBLLC-IRXDYDNUSA-N 2 2 368.481 2.478 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(-n3cccn3)cc2)nc[nH+]1 ZINC000109070283 325657686 /nfs/dbraw/zinc/65/76/86/325657686.db2.gz BZYNZFWRTSMUAG-GOSISDBHSA-N 2 2 363.469 2.463 10 0 FEAELP C[NH+](C)[C@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccc(F)cc1 ZINC000110249095 325685597 /nfs/dbraw/zinc/68/55/97/325685597.db2.gz QTOZSUQQDQYRAG-IAGOWNOFSA-N 2 2 359.449 2.292 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@H]1CC ZINC000172297858 327193606 /nfs/dbraw/zinc/19/36/06/327193606.db2.gz UEMVDLJFYNNLJQ-KRWDZBQOSA-N 2 2 358.486 2.304 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@@H]1CC ZINC000172297858 327193607 /nfs/dbraw/zinc/19/36/07/327193607.db2.gz UEMVDLJFYNNLJQ-KRWDZBQOSA-N 2 2 358.486 2.304 10 0 FEAELP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000263280385 328930195 /nfs/dbraw/zinc/93/01/95/328930195.db2.gz UEJJLXJGQALNPW-RISCZKNCSA-N 2 2 368.300 2.243 10 0 FEAELP Cc1ccc(CC(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000262138751 524248559 /nfs/dbraw/zinc/24/85/59/524248559.db2.gz PHVCRIUIKXUBFD-SFHVURJKSA-N 2 2 352.482 2.442 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000178319198 546774941 /nfs/dbraw/zinc/77/49/41/546774941.db2.gz SUTLDXFCJHZAPY-INIZCTEOSA-N 2 2 356.426 2.066 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000178319198 546774945 /nfs/dbraw/zinc/77/49/45/546774945.db2.gz SUTLDXFCJHZAPY-INIZCTEOSA-N 2 2 356.426 2.066 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000178779290 546849347 /nfs/dbraw/zinc/84/93/47/546849347.db2.gz MUMHKCRWTILGLC-AEFFLSMTSA-N 2 2 359.495 2.280 10 0 FEAELP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1cccc(Br)c1 ZINC000181055869 547240532 /nfs/dbraw/zinc/24/05/32/547240532.db2.gz FHIMWPSJTPJNEE-OAHLLOKOSA-N 2 2 368.275 2.407 10 0 FEAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COc1cccc(Br)c1 ZINC000181055869 547240536 /nfs/dbraw/zinc/24/05/36/547240536.db2.gz FHIMWPSJTPJNEE-OAHLLOKOSA-N 2 2 368.275 2.407 10 0 FEAELP C[N@H+](CCCC(=O)OC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181832379 547387520 /nfs/dbraw/zinc/38/75/20/547387520.db2.gz YRMWBUCHTCHGGZ-UHFFFAOYSA-N 2 2 350.507 2.401 10 0 FEAELP C[N@@H+](CCCC(=O)OC(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000181832379 547387527 /nfs/dbraw/zinc/38/75/27/547387527.db2.gz YRMWBUCHTCHGGZ-UHFFFAOYSA-N 2 2 350.507 2.401 10 0 FEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3c3cn[nH]c3)CC2)CC1 ZINC000182537890 547510124 /nfs/dbraw/zinc/51/01/24/547510124.db2.gz SYMYGHGOZIVVLL-LJQANCHMSA-N 2 2 374.533 2.205 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256839 548605580 /nfs/dbraw/zinc/60/55/80/548605580.db2.gz DGEHBFXLJCMNST-RDJZCZTQSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256839 548605583 /nfs/dbraw/zinc/60/55/83/548605583.db2.gz DGEHBFXLJCMNST-RDJZCZTQSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256839 548605589 /nfs/dbraw/zinc/60/55/89/548605589.db2.gz DGEHBFXLJCMNST-RDJZCZTQSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256839 548605594 /nfs/dbraw/zinc/60/55/94/548605594.db2.gz DGEHBFXLJCMNST-RDJZCZTQSA-N 2 2 364.559 2.464 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCc3ccccc32)C1 ZINC000195294458 548614800 /nfs/dbraw/zinc/61/48/00/548614800.db2.gz JGIWHEAPZCLGIC-LJQANCHMSA-N 2 2 364.493 2.425 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)N2CCc3ccccc32)C1 ZINC000195294458 548614804 /nfs/dbraw/zinc/61/48/04/548614804.db2.gz JGIWHEAPZCLGIC-LJQANCHMSA-N 2 2 364.493 2.425 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000195294458 548614808 /nfs/dbraw/zinc/61/48/08/548614808.db2.gz JGIWHEAPZCLGIC-LJQANCHMSA-N 2 2 364.493 2.425 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000195294458 548614812 /nfs/dbraw/zinc/61/48/12/548614812.db2.gz JGIWHEAPZCLGIC-LJQANCHMSA-N 2 2 364.493 2.425 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646852 549476527 /nfs/dbraw/zinc/47/65/27/549476527.db2.gz HVHQIOMOZXFCDR-HZPDHXFCSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646852 549476529 /nfs/dbraw/zinc/47/65/29/549476529.db2.gz HVHQIOMOZXFCDR-HZPDHXFCSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646852 549476532 /nfs/dbraw/zinc/47/65/32/549476532.db2.gz HVHQIOMOZXFCDR-HZPDHXFCSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646852 549476535 /nfs/dbraw/zinc/47/65/35/549476535.db2.gz HVHQIOMOZXFCDR-HZPDHXFCSA-N 2 2 352.548 2.366 10 0 FEAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CCO1 ZINC000248694859 549486199 /nfs/dbraw/zinc/48/61/99/549486199.db2.gz YOCMQFNWRWPMOS-HZPDHXFCSA-N 2 2 368.547 2.103 10 0 FEAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CCO1 ZINC000248694859 549486203 /nfs/dbraw/zinc/48/62/03/549486203.db2.gz YOCMQFNWRWPMOS-HZPDHXFCSA-N 2 2 368.547 2.103 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000262736843 549844379 /nfs/dbraw/zinc/84/43/79/549844379.db2.gz CGCFKYZWXMRGHE-FCEWJHQRSA-N 2 2 365.543 2.487 10 0 FEAELP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000263280386 549892063 /nfs/dbraw/zinc/89/20/63/549892063.db2.gz UEJJLXJGQALNPW-SMDDNHRTSA-N 2 2 368.300 2.243 10 0 FEAELP C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277730547 550707482 /nfs/dbraw/zinc/70/74/82/550707482.db2.gz IJYMLNDOXSMAQS-GFCCVEGCSA-N 2 2 369.897 2.345 10 0 FEAELP C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277730547 550707484 /nfs/dbraw/zinc/70/74/84/550707484.db2.gz IJYMLNDOXSMAQS-GFCCVEGCSA-N 2 2 369.897 2.345 10 0 FEAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000301693795 553672520 /nfs/dbraw/zinc/67/25/20/553672520.db2.gz ZRXWVTBGPLNOOM-IAGOWNOFSA-N 2 2 355.438 2.239 10 0 FEAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000301693795 553672523 /nfs/dbraw/zinc/67/25/23/553672523.db2.gz ZRXWVTBGPLNOOM-IAGOWNOFSA-N 2 2 355.438 2.239 10 0 FEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130079550 672070295 /nfs/dbraw/zinc/07/02/95/672070295.db2.gz FAZZVMJHHCTQRG-DLBZAZTESA-N 2 2 355.523 2.334 10 0 FEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130079550 672070300 /nfs/dbraw/zinc/07/03/00/672070300.db2.gz FAZZVMJHHCTQRG-DLBZAZTESA-N 2 2 355.523 2.334 10 0 FEAELP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130079335 672070410 /nfs/dbraw/zinc/07/04/10/672070410.db2.gz FAZZVMJHHCTQRG-IAGOWNOFSA-N 2 2 355.523 2.334 10 0 FEAELP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130079335 672070411 /nfs/dbraw/zinc/07/04/11/672070411.db2.gz FAZZVMJHHCTQRG-IAGOWNOFSA-N 2 2 355.523 2.334 10 0 FEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000634976001 677086740 /nfs/dbraw/zinc/08/67/40/677086740.db2.gz LWFBFGWYLKCZSL-VNTMZGSJSA-N 2 2 362.539 2.454 10 0 FEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000634976001 677086741 /nfs/dbraw/zinc/08/67/41/677086741.db2.gz LWFBFGWYLKCZSL-VNTMZGSJSA-N 2 2 362.539 2.454 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000106217665 543219245 /nfs/dbraw/zinc/21/92/45/543219245.db2.gz SJPRAQLVDXYZPZ-OAHLLOKOSA-N 2 2 352.438 2.379 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000106217665 543219249 /nfs/dbraw/zinc/21/92/49/543219249.db2.gz SJPRAQLVDXYZPZ-OAHLLOKOSA-N 2 2 352.438 2.379 10 0 FEAELP CC[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000117484615 543632952 /nfs/dbraw/zinc/63/29/52/543632952.db2.gz OTIIVHWKUQKEFN-GOSISDBHSA-N 2 2 371.485 2.125 10 0 FEAELP CC[C@@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1CCOC ZINC000117484615 543632955 /nfs/dbraw/zinc/63/29/55/543632955.db2.gz OTIIVHWKUQKEFN-GOSISDBHSA-N 2 2 371.485 2.125 10 0 FEAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124310979 543813434 /nfs/dbraw/zinc/81/34/34/543813434.db2.gz OKOZJQVUYGJKRD-SFTDATJTSA-N 2 2 367.493 2.307 10 0 FEAELP C[NH+](C)C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124310979 543813436 /nfs/dbraw/zinc/81/34/36/543813436.db2.gz OKOZJQVUYGJKRD-SFTDATJTSA-N 2 2 367.493 2.307 10 0 FEAELP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000130829802 544167082 /nfs/dbraw/zinc/16/70/82/544167082.db2.gz AFTRVLCWMCSERJ-QGZVFWFLSA-N 2 2 353.470 2.216 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000132454332 544231594 /nfs/dbraw/zinc/23/15/94/544231594.db2.gz JARCEMBVCPBRHE-WBVHZDCISA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000132454332 544231596 /nfs/dbraw/zinc/23/15/96/544231596.db2.gz JARCEMBVCPBRHE-WBVHZDCISA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000132454332 544231597 /nfs/dbraw/zinc/23/15/97/544231597.db2.gz JARCEMBVCPBRHE-WBVHZDCISA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000132454332 544231599 /nfs/dbraw/zinc/23/15/99/544231599.db2.gz JARCEMBVCPBRHE-WBVHZDCISA-N 2 2 365.547 2.089 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)NCCC3CC[NH+](C)CC3)CC2)s1 ZINC000111855372 325740868 /nfs/dbraw/zinc/74/08/68/325740868.db2.gz HNZPVPVLTATXEA-UHFFFAOYSA-N 2 2 365.547 2.011 10 0 FEAELP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H](C)[NH+](C)C3CC3)CC2)cs1 ZINC000116545928 326022893 /nfs/dbraw/zinc/02/28/93/326022893.db2.gz CUOCJYDTCBVZQC-AWEZNQCLSA-N 2 2 365.547 2.152 10 0 FEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H](C)[NH+](C)C3CC3)CC2)cs1 ZINC000116545928 326022896 /nfs/dbraw/zinc/02/28/96/326022896.db2.gz CUOCJYDTCBVZQC-AWEZNQCLSA-N 2 2 365.547 2.152 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)cs1 ZINC000116545928 326022900 /nfs/dbraw/zinc/02/29/00/326022900.db2.gz CUOCJYDTCBVZQC-AWEZNQCLSA-N 2 2 365.547 2.152 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)cs1 ZINC000116545928 326022903 /nfs/dbraw/zinc/02/29/03/326022903.db2.gz CUOCJYDTCBVZQC-AWEZNQCLSA-N 2 2 365.547 2.152 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000120803621 326289278 /nfs/dbraw/zinc/28/92/78/326289278.db2.gz ARTASOPGTDHLEL-APWZRJJASA-N 2 2 360.502 2.369 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000120803621 326289280 /nfs/dbraw/zinc/28/92/80/326289280.db2.gz ARTASOPGTDHLEL-APWZRJJASA-N 2 2 360.502 2.369 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)C2CCN(c3ccc4cccc(O)c4[nH+]3)CC2)C1 ZINC000170860064 327103406 /nfs/dbraw/zinc/10/34/06/327103406.db2.gz VPMHIULGXYJIKM-QGZVFWFLSA-N 2 2 368.481 2.319 10 0 FEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C)C2 ZINC000173549858 327265675 /nfs/dbraw/zinc/26/56/75/327265675.db2.gz CZUBGXFIKIKXAW-SFHVURJKSA-N 2 2 362.518 2.221 10 0 FEAELP CC[C@H](C)[C@H](NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000249259370 328762238 /nfs/dbraw/zinc/76/22/38/328762238.db2.gz HTJSVQGVPJLUDP-KHYOSLBOSA-N 2 2 372.469 2.227 10 0 FEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261999782 328834518 /nfs/dbraw/zinc/83/45/18/328834518.db2.gz UJHAVTKWLJBMMD-UMSONDCASA-N 3 2 358.530 2.354 10 0 FEAELP Cc1ccc(C(=O)CC[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000159347297 545945390 /nfs/dbraw/zinc/94/53/90/545945390.db2.gz DNMBNVVOCUAROU-OAQYLSRUSA-N 2 2 373.541 2.295 10 0 FEAELP Cc1ccc(C(=O)CC[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000159347297 545945392 /nfs/dbraw/zinc/94/53/92/545945392.db2.gz DNMBNVVOCUAROU-OAQYLSRUSA-N 2 2 373.541 2.295 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)c2cc1C ZINC000177288077 546587664 /nfs/dbraw/zinc/58/76/64/546587664.db2.gz BCQPVRIWLDVYRT-XJKSGUPXSA-N 2 2 357.376 2.013 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@](O)(C(F)(F)F)C3)c2cc1C ZINC000177288077 546587667 /nfs/dbraw/zinc/58/76/67/546587667.db2.gz BCQPVRIWLDVYRT-XJKSGUPXSA-N 2 2 357.376 2.013 10 0 FEAELP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178314310 546774534 /nfs/dbraw/zinc/77/45/34/546774534.db2.gz RQYAMNLINKKXIB-OALUTQOASA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178314310 546774539 /nfs/dbraw/zinc/77/45/39/546774539.db2.gz RQYAMNLINKKXIB-OALUTQOASA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178748244 546842987 /nfs/dbraw/zinc/84/29/87/546842987.db2.gz CSAIOFNZCBWMNE-OAHLLOKOSA-N 2 2 358.442 2.312 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178748244 546842994 /nfs/dbraw/zinc/84/29/94/546842994.db2.gz CSAIOFNZCBWMNE-OAHLLOKOSA-N 2 2 358.442 2.312 10 0 FEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000178750694 546843153 /nfs/dbraw/zinc/84/31/53/546843153.db2.gz KEPMPRXVDOJPCP-HNNXBMFYSA-N 2 2 358.442 2.270 10 0 FEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000178750694 546843158 /nfs/dbraw/zinc/84/31/58/546843158.db2.gz KEPMPRXVDOJPCP-HNNXBMFYSA-N 2 2 358.442 2.270 10 0 FEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000178750684 546843293 /nfs/dbraw/zinc/84/32/93/546843293.db2.gz KEPMPRXVDOJPCP-OAHLLOKOSA-N 2 2 358.442 2.270 10 0 FEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000178750684 546843296 /nfs/dbraw/zinc/84/32/96/546843296.db2.gz KEPMPRXVDOJPCP-OAHLLOKOSA-N 2 2 358.442 2.270 10 0 FEAELP COCc1nc(C[N@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000182442667 547494102 /nfs/dbraw/zinc/49/41/02/547494102.db2.gz DXQNRNXBTDAPFS-SFHVURJKSA-N 2 2 374.485 2.093 10 0 FEAELP COCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)no1 ZINC000182442667 547494106 /nfs/dbraw/zinc/49/41/06/547494106.db2.gz DXQNRNXBTDAPFS-SFHVURJKSA-N 2 2 374.485 2.093 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254065 548603217 /nfs/dbraw/zinc/60/32/17/548603217.db2.gz BTGKFHDLMWZWCC-HOCLYGCPSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254065 548603224 /nfs/dbraw/zinc/60/32/24/548603224.db2.gz BTGKFHDLMWZWCC-HOCLYGCPSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254065 548603230 /nfs/dbraw/zinc/60/32/30/548603230.db2.gz BTGKFHDLMWZWCC-HOCLYGCPSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254065 548603237 /nfs/dbraw/zinc/60/32/37/548603237.db2.gz BTGKFHDLMWZWCC-HOCLYGCPSA-N 2 2 352.548 2.366 10 0 FEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000195301457 548617112 /nfs/dbraw/zinc/61/71/12/548617112.db2.gz MVBRSTBTHVCCAN-QWFCFKBJSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000195301457 548617115 /nfs/dbraw/zinc/61/71/15/548617115.db2.gz MVBRSTBTHVCCAN-QWFCFKBJSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000195301457 548617119 /nfs/dbraw/zinc/61/71/19/548617119.db2.gz MVBRSTBTHVCCAN-QWFCFKBJSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000195301457 548617121 /nfs/dbraw/zinc/61/71/21/548617121.db2.gz MVBRSTBTHVCCAN-QWFCFKBJSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245916515 549018641 /nfs/dbraw/zinc/01/86/41/549018641.db2.gz WQTAPPAFORHRFQ-YESZJQIVSA-N 2 2 371.485 2.030 10 0 FEAELP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245916515 549018643 /nfs/dbraw/zinc/01/86/43/549018643.db2.gz WQTAPPAFORHRFQ-YESZJQIVSA-N 2 2 371.485 2.030 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000247132111 549289489 /nfs/dbraw/zinc/28/94/89/549289489.db2.gz OOUDABMFTKXTSA-MSOLQXFVSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000247132111 549289495 /nfs/dbraw/zinc/28/94/95/549289495.db2.gz OOUDABMFTKXTSA-MSOLQXFVSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000247132111 549289498 /nfs/dbraw/zinc/28/94/98/549289498.db2.gz OOUDABMFTKXTSA-MSOLQXFVSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000247132111 549289503 /nfs/dbraw/zinc/28/95/03/549289503.db2.gz OOUDABMFTKXTSA-MSOLQXFVSA-N 2 2 359.514 2.002 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000247373095 549325808 /nfs/dbraw/zinc/32/58/08/549325808.db2.gz PGRXBLFOURCIPM-ZIFCJYIRSA-N 2 2 359.518 2.199 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000247373095 549325812 /nfs/dbraw/zinc/32/58/12/549325812.db2.gz PGRXBLFOURCIPM-ZIFCJYIRSA-N 2 2 359.518 2.199 10 0 FEAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248639617 549473628 /nfs/dbraw/zinc/47/36/28/549473628.db2.gz BKSBBSFGZDUUSI-ICSRJNTNSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248639617 549473632 /nfs/dbraw/zinc/47/36/32/549473632.db2.gz BKSBBSFGZDUUSI-ICSRJNTNSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248639617 549473633 /nfs/dbraw/zinc/47/36/33/549473633.db2.gz BKSBBSFGZDUUSI-ICSRJNTNSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248639617 549473637 /nfs/dbraw/zinc/47/36/37/549473637.db2.gz BKSBBSFGZDUUSI-ICSRJNTNSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000388277828 558608806 /nfs/dbraw/zinc/60/88/06/558608806.db2.gz POTSAFAPRKJEEG-FXAWDEMLSA-N 2 2 353.466 2.408 10 0 FEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000388277828 558608809 /nfs/dbraw/zinc/60/88/09/558608809.db2.gz POTSAFAPRKJEEG-FXAWDEMLSA-N 2 2 353.466 2.408 10 0 FEAELP c1csc(C[N@H+](Cc2cnc3ncccn23)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000583623069 570809977 /nfs/dbraw/zinc/80/99/77/570809977.db2.gz LCQAOONIHYFBOI-OAHLLOKOSA-N 2 2 354.483 2.330 10 0 FEAELP c1csc(C[N@@H+](Cc2cnc3ncccn23)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000583623069 570809979 /nfs/dbraw/zinc/80/99/79/570809979.db2.gz LCQAOONIHYFBOI-OAHLLOKOSA-N 2 2 354.483 2.330 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000049132410 540381760 /nfs/dbraw/zinc/38/17/60/540381760.db2.gz GBCBENPYQHUHBS-HKUYNNGSSA-N 2 2 362.518 2.089 10 0 FEAELP Cc1ccc([C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)[NH+]2CCCC2)cc1 ZINC000064237195 541196039 /nfs/dbraw/zinc/19/60/39/541196039.db2.gz XPAKBQOSRDZXDG-UYAOXDASSA-N 2 2 374.529 2.152 10 0 FEAELP O=C(NCC[NH+]1CCCCC1)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1 ZINC000033070969 208070855 /nfs/dbraw/zinc/07/08/55/208070855.db2.gz FKNGTTFLIVKFSL-UHFFFAOYSA-N 2 2 355.486 2.381 10 0 FEAELP CCN1CC[C@]2(CN(Cc3c(C)[nH+]c4ccccn43)CC[N@@H+]2C)CCC1=O ZINC000091706566 542820501 /nfs/dbraw/zinc/82/05/01/542820501.db2.gz IKLGNKZSFPRDHP-NRFANRHFSA-N 2 2 369.513 2.161 10 0 FEAELP CCN1CC[C@]2(CN(Cc3c(C)[nH+]c4ccccn43)CC[N@H+]2C)CCC1=O ZINC000091706566 542820506 /nfs/dbraw/zinc/82/05/06/542820506.db2.gz IKLGNKZSFPRDHP-NRFANRHFSA-N 2 2 369.513 2.161 10 0 FEAELP CC(C)c1csc([C@@H]2CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093176322 542915777 /nfs/dbraw/zinc/91/57/77/542915777.db2.gz RLMXCJRYKPAYIF-OAHLLOKOSA-N 2 2 350.532 2.220 10 0 FEAELP CC(C)c1csc([C@@H]2CCC[N@@H+](CC(=O)N3CC[NH+](C)CC3)C2)n1 ZINC000093176322 542915781 /nfs/dbraw/zinc/91/57/81/542915781.db2.gz RLMXCJRYKPAYIF-OAHLLOKOSA-N 2 2 350.532 2.220 10 0 FEAELP C[C@]1(CO)CCC[N@H+](Cc2cn(C3CCN(c4cc[nH+]cc4)CC3)nn2)C1 ZINC000023310682 136152661 /nfs/dbraw/zinc/15/26/61/136152661.db2.gz QCESAJYYPARERH-FQEVSTJZSA-N 2 2 370.501 2.109 10 0 FEAELP C[C@]1(CO)CCC[N@@H+](Cc2cn(C3CCN(c4cc[nH+]cc4)CC3)nn2)C1 ZINC000023310682 136152662 /nfs/dbraw/zinc/15/26/62/136152662.db2.gz QCESAJYYPARERH-FQEVSTJZSA-N 2 2 370.501 2.109 10 0 FEAELP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105013082 543154915 /nfs/dbraw/zinc/15/49/15/543154915.db2.gz YMTVJCTUIZKCIU-HXUWFJFHSA-N 2 2 372.513 2.263 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000106212758 543218319 /nfs/dbraw/zinc/21/83/19/543218319.db2.gz KSDPIMQQNJHFKP-KRWDZBQOSA-N 2 2 374.460 2.417 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000106212758 543218321 /nfs/dbraw/zinc/21/83/21/543218321.db2.gz KSDPIMQQNJHFKP-KRWDZBQOSA-N 2 2 374.460 2.417 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106217399 543219087 /nfs/dbraw/zinc/21/90/87/543219087.db2.gz IOGQZIWXMTXSBQ-YOEHRIQHSA-N 2 2 369.469 2.209 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106217399 543219088 /nfs/dbraw/zinc/21/90/88/543219088.db2.gz IOGQZIWXMTXSBQ-YOEHRIQHSA-N 2 2 369.469 2.209 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000106217362 543219398 /nfs/dbraw/zinc/21/93/98/543219398.db2.gz JBHCVXNKBDNBEV-KRWDZBQOSA-N 2 2 369.469 2.108 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000106217362 543219400 /nfs/dbraw/zinc/21/94/00/543219400.db2.gz JBHCVXNKBDNBEV-KRWDZBQOSA-N 2 2 369.469 2.108 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2nccn2CC(F)(F)F)nc[nH+]1 ZINC000109070163 543313055 /nfs/dbraw/zinc/31/30/55/543313055.db2.gz NPKQVXVZLGOYFN-GFCCVEGCSA-N 2 2 369.395 2.036 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115844269 543589957 /nfs/dbraw/zinc/58/99/57/543589957.db2.gz KPRCANNDAQBXPY-CPUCHLNUSA-N 2 2 366.456 2.446 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](c1c(F)cccc1F)[NH+](C)C ZINC000115844269 543589960 /nfs/dbraw/zinc/58/99/60/543589960.db2.gz KPRCANNDAQBXPY-CPUCHLNUSA-N 2 2 366.456 2.446 10 0 FEAELP C[C@@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890677 328174111 /nfs/dbraw/zinc/17/41/11/328174111.db2.gz CKPMFGMMKMJYRU-HZPDHXFCSA-N 2 2 362.499 2.195 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(OC)cc(OC)c2)nc[nH+]1 ZINC000109070244 325657993 /nfs/dbraw/zinc/65/79/93/325657993.db2.gz FRIDNXFJZUPEIJ-OAHLLOKOSA-N 2 2 357.458 2.294 10 0 FEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000114706349 325914671 /nfs/dbraw/zinc/91/46/71/325914671.db2.gz MJXMXDPWXMYRLA-WIYYLYMNSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1cccn2c(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)cnc12 ZINC000121220991 326322716 /nfs/dbraw/zinc/32/27/16/326322716.db2.gz TVGNOSMXMXRVNG-UHFFFAOYSA-N 2 2 352.486 2.436 10 0 FEAELP Cc1cccn2c(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)cnc12 ZINC000121220991 326322719 /nfs/dbraw/zinc/32/27/19/326322719.db2.gz TVGNOSMXMXRVNG-UHFFFAOYSA-N 2 2 352.486 2.436 10 0 FEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000177146299 327501250 /nfs/dbraw/zinc/50/12/50/327501250.db2.gz ZYQDCEYZQGXCFU-JKSUJKDBSA-N 2 2 351.441 2.211 10 0 FEAELP O[C@@H](CNc1cc[nH+]c2ccc(Br)cc12)C[NH+]1CCOCC1 ZINC000269410323 329516970 /nfs/dbraw/zinc/51/69/70/329516970.db2.gz YXJFLFXKPADQNP-ZDUSSCGKSA-N 2 2 366.259 2.102 10 0 FEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000176314172 546431120 /nfs/dbraw/zinc/43/11/20/546431120.db2.gz IKGSOIOPPMFWJF-GOSISDBHSA-N 2 2 360.502 2.467 10 0 FEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000176314172 546431122 /nfs/dbraw/zinc/43/11/22/546431122.db2.gz IKGSOIOPPMFWJF-GOSISDBHSA-N 2 2 360.502 2.467 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000177353591 546599602 /nfs/dbraw/zinc/59/96/02/546599602.db2.gz DETBEXIBSUSBBY-MSOLQXFVSA-N 2 2 359.449 2.499 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178308879 546773298 /nfs/dbraw/zinc/77/32/98/546773298.db2.gz AGYCPGPFMLDHKC-SFHVURJKSA-N 2 2 355.442 2.253 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178308879 546773305 /nfs/dbraw/zinc/77/33/05/546773305.db2.gz AGYCPGPFMLDHKC-SFHVURJKSA-N 2 2 355.442 2.253 10 0 FEAELP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745513 546842170 /nfs/dbraw/zinc/84/21/70/546842170.db2.gz BWBBACYLFQGGQX-KRWDZBQOSA-N 2 2 356.426 2.081 10 0 FEAELP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745513 546842174 /nfs/dbraw/zinc/84/21/74/546842174.db2.gz BWBBACYLFQGGQX-KRWDZBQOSA-N 2 2 356.426 2.081 10 0 FEAELP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179965141 547033704 /nfs/dbraw/zinc/03/37/04/547033704.db2.gz PEWGEHMHCYSINB-HOTGVXAUSA-N 2 2 356.873 2.475 10 0 FEAELP CC[N@H+]1CC[C@H](NC(=O)NCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179965141 547033708 /nfs/dbraw/zinc/03/37/08/547033708.db2.gz PEWGEHMHCYSINB-HOTGVXAUSA-N 2 2 356.873 2.475 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245652707 548966178 /nfs/dbraw/zinc/96/61/78/548966178.db2.gz FAHHSTIDWCTRFF-WBAXXEDZSA-N 2 2 366.456 2.494 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245652707 548966181 /nfs/dbraw/zinc/96/61/81/548966181.db2.gz FAHHSTIDWCTRFF-WBAXXEDZSA-N 2 2 366.456 2.494 10 0 FEAELP CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245652707 548966185 /nfs/dbraw/zinc/96/61/85/548966185.db2.gz FAHHSTIDWCTRFF-WBAXXEDZSA-N 2 2 366.456 2.494 10 0 FEAELP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000246421308 549130048 /nfs/dbraw/zinc/13/00/48/549130048.db2.gz FZIJJAKYQZSWSU-CABCVRRESA-N 2 2 357.458 2.006 10 0 FEAELP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000246421308 549130051 /nfs/dbraw/zinc/13/00/51/549130051.db2.gz FZIJJAKYQZSWSU-CABCVRRESA-N 2 2 357.458 2.006 10 0 FEAELP CC[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246527144 549153074 /nfs/dbraw/zinc/15/30/74/549153074.db2.gz PAIQOUFTZIHTDL-MAUKXSAKSA-N 2 2 371.485 2.396 10 0 FEAELP CC[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1C[C@H](C)O ZINC000246527144 549153075 /nfs/dbraw/zinc/15/30/75/549153075.db2.gz PAIQOUFTZIHTDL-MAUKXSAKSA-N 2 2 371.485 2.396 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000247058412 549273752 /nfs/dbraw/zinc/27/37/52/549273752.db2.gz HEZTWZVHDDQXEU-NEWSRXKRSA-N 2 2 359.539 2.472 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000247058412 549273755 /nfs/dbraw/zinc/27/37/55/549273755.db2.gz HEZTWZVHDDQXEU-NEWSRXKRSA-N 2 2 359.539 2.472 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000247184398 549296367 /nfs/dbraw/zinc/29/63/67/549296367.db2.gz KPRCANNDAQBXPY-JKIFEVAISA-N 2 2 366.456 2.446 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000247184398 549296369 /nfs/dbraw/zinc/29/63/69/549296369.db2.gz KPRCANNDAQBXPY-JKIFEVAISA-N 2 2 366.456 2.446 10 0 FEAELP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604853 549733648 /nfs/dbraw/zinc/73/36/48/549733648.db2.gz AZMCJPBNFARGTA-FYZZASKESA-N 2 2 373.541 2.372 10 0 FEAELP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604853 549733651 /nfs/dbraw/zinc/73/36/51/549733651.db2.gz AZMCJPBNFARGTA-FYZZASKESA-N 2 2 373.541 2.372 10 0 FEAELP Cc1cccc(OCCNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261832051 549760845 /nfs/dbraw/zinc/76/08/45/549760845.db2.gz TTYUTJLLJJMLMV-CTNGQTDRSA-N 2 2 367.493 2.164 10 0 FEAELP Cc1cccc(OCCNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261832051 549760848 /nfs/dbraw/zinc/76/08/48/549760848.db2.gz TTYUTJLLJJMLMV-CTNGQTDRSA-N 2 2 367.493 2.164 10 0 FEAELP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)[nH+]c2)CC1 ZINC000262036066 549782001 /nfs/dbraw/zinc/78/20/01/549782001.db2.gz XYGYJKCPXOZPIO-AQNXPRMDSA-N 3 2 373.545 2.181 10 0 FEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000263201471 549885228 /nfs/dbraw/zinc/88/52/28/549885228.db2.gz JEBNPKDIFJNLHH-BRWVUGGUSA-N 2 2 365.424 2.086 10 0 FEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000263201471 549885230 /nfs/dbraw/zinc/88/52/30/549885230.db2.gz JEBNPKDIFJNLHH-BRWVUGGUSA-N 2 2 365.424 2.086 10 0 FEAELP C[NH+](C)C1CC[NH+](C[C@@H](O)COc2cccc(Br)c2)CC1 ZINC000193811987 672737114 /nfs/dbraw/zinc/73/71/14/672737114.db2.gz VHASATKZIWNGTI-OAHLLOKOSA-N 2 2 357.292 2.215 10 0 FEAELP O=C(CC[NH+]1CCOCC1)NCc1ccc[nH+]c1N1CCCCCCC1 ZINC000012714124 539571083 /nfs/dbraw/zinc/57/10/83/539571083.db2.gz RCWRQRCRNDPHKL-UHFFFAOYSA-N 2 2 360.502 2.191 10 0 FEAELP C[NH+]1CCN(Nc2[nH+]cnc(NC34CC5CC(CC(C5)C3)C4)c2N)CC1 ZINC000040755622 208267174 /nfs/dbraw/zinc/26/71/74/208267174.db2.gz YIMNDUHPTHAULT-UHFFFAOYSA-N 2 2 357.506 2.014 10 0 FEAELP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812648 542888250 /nfs/dbraw/zinc/88/82/50/542888250.db2.gz NOUWUIJLAGTWAO-QGZVFWFLSA-N 2 2 371.485 2.392 10 0 FEAELP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812648 542888252 /nfs/dbraw/zinc/88/82/52/542888252.db2.gz NOUWUIJLAGTWAO-QGZVFWFLSA-N 2 2 371.485 2.392 10 0 FEAELP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000105201379 543164566 /nfs/dbraw/zinc/16/45/66/543164566.db2.gz QEGKLWSNKGKRSW-HXUWFJFHSA-N 2 2 374.529 2.015 10 0 FEAELP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000105201379 543164568 /nfs/dbraw/zinc/16/45/68/543164568.db2.gz QEGKLWSNKGKRSW-HXUWFJFHSA-N 2 2 374.529 2.015 10 0 FEAELP CC(C)N(C(=O)[C@@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)C(C)C ZINC000106129772 543205753 /nfs/dbraw/zinc/20/57/53/543205753.db2.gz NTJHKMMXXIOUJG-GOSISDBHSA-N 2 2 363.550 2.313 10 0 FEAELP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)C(C)C ZINC000106129772 543205755 /nfs/dbraw/zinc/20/57/55/543205755.db2.gz NTJHKMMXXIOUJG-GOSISDBHSA-N 2 2 363.550 2.313 10 0 FEAELP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111852554 543420347 /nfs/dbraw/zinc/42/03/47/543420347.db2.gz BGFJCSMJVUGCJL-AWEZNQCLSA-N 2 2 353.536 2.009 10 0 FEAELP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111852554 543420350 /nfs/dbraw/zinc/42/03/50/543420350.db2.gz BGFJCSMJVUGCJL-AWEZNQCLSA-N 2 2 353.536 2.009 10 0 FEAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000114717188 543532288 /nfs/dbraw/zinc/53/22/88/543532288.db2.gz NLJGLTKTGGGQIC-SFHVURJKSA-N 2 2 368.481 2.483 10 0 FEAELP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000114717188 543532293 /nfs/dbraw/zinc/53/22/93/543532293.db2.gz NLJGLTKTGGGQIC-SFHVURJKSA-N 2 2 368.481 2.483 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NCCCNc2cccc[nH+]2)C[C@@H]1CC ZINC000117033674 543621884 /nfs/dbraw/zinc/62/18/84/543621884.db2.gz DNNDWVVUPIXSDP-KRWDZBQOSA-N 2 2 363.506 2.026 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NCCCNc2cccc[nH+]2)C[C@@H]1CC ZINC000117033674 543621885 /nfs/dbraw/zinc/62/18/85/543621885.db2.gz DNNDWVVUPIXSDP-KRWDZBQOSA-N 2 2 363.506 2.026 10 0 FEAELP C[C@H](C(N)=O)[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000125924379 543908955 /nfs/dbraw/zinc/90/89/55/543908955.db2.gz NAJUFEHSJDWQRV-LLVKDONJSA-N 2 2 352.360 2.249 10 0 FEAELP c1nc(N2CCOCC2)sc1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000128243007 544040942 /nfs/dbraw/zinc/04/09/42/544040942.db2.gz DWTJOVAHZLAHGF-OAHLLOKOSA-N 2 2 359.499 2.309 10 0 FEAELP c1nc(N2CCOCC2)sc1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000128243007 544040944 /nfs/dbraw/zinc/04/09/44/544040944.db2.gz DWTJOVAHZLAHGF-OAHLLOKOSA-N 2 2 359.499 2.309 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1nnc(CC(C)C)s1 ZINC000137895044 544393576 /nfs/dbraw/zinc/39/35/76/544393576.db2.gz MTUUTGJJXAYCFZ-AWEZNQCLSA-N 2 2 362.503 2.345 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nnc(CC(C)C)s1 ZINC000137895044 544393577 /nfs/dbraw/zinc/39/35/77/544393577.db2.gz MTUUTGJJXAYCFZ-AWEZNQCLSA-N 2 2 362.503 2.345 10 0 FEAELP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1F ZINC000151063951 544500769 /nfs/dbraw/zinc/50/07/69/544500769.db2.gz BRYFECHKQOXIGH-UHFFFAOYSA-N 2 2 374.460 2.405 10 0 FEAELP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1F ZINC000151063951 544500774 /nfs/dbraw/zinc/50/07/74/544500774.db2.gz BRYFECHKQOXIGH-UHFFFAOYSA-N 2 2 374.460 2.405 10 0 FEAELP c1cncc(O[C@H]2CC[NH+](CCC[N@@H+]3CC[C@H](Oc4cccnc4)C3)C2)c1 ZINC000154697304 544938447 /nfs/dbraw/zinc/93/84/47/544938447.db2.gz NZHCTEAXBKLESD-SFTDATJTSA-N 2 2 368.481 2.473 10 0 FEAELP c1cncc(O[C@H]2CC[NH+](CCC[N@H+]3CC[C@H](Oc4cccnc4)C3)C2)c1 ZINC000154697304 544938453 /nfs/dbraw/zinc/93/84/53/544938453.db2.gz NZHCTEAXBKLESD-SFTDATJTSA-N 2 2 368.481 2.473 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)s1 ZINC000178883874 327613696 /nfs/dbraw/zinc/61/36/96/327613696.db2.gz RYLBGPACJOKRCD-CQSZACIVSA-N 2 2 350.532 2.122 10 0 FEAELP C[N@H+](CC1CCC2(CC1)OCCO2)C1CC[NH+](CCn2cccn2)CC1 ZINC000190219931 328195408 /nfs/dbraw/zinc/19/54/08/328195408.db2.gz OOEOAXDGVMLTBU-UHFFFAOYSA-N 2 2 362.518 2.213 10 0 FEAELP C[N@@H+](CC1CCC2(CC1)OCCO2)C1CC[NH+](CCn2cccn2)CC1 ZINC000190219931 328195410 /nfs/dbraw/zinc/19/54/10/328195410.db2.gz OOEOAXDGVMLTBU-UHFFFAOYSA-N 2 2 362.518 2.213 10 0 FEAELP Cn1cc[nH+]c1CC1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000123797129 326442369 /nfs/dbraw/zinc/44/23/69/326442369.db2.gz WZOTWGNOUOLNGR-UHFFFAOYSA-N 2 2 370.501 2.160 10 0 FEAELP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645734 327151222 /nfs/dbraw/zinc/15/12/22/327151222.db2.gz JXAOYKCGNFYFNT-HNNXBMFYSA-N 2 2 368.437 2.241 10 0 FEAELP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645734 327151223 /nfs/dbraw/zinc/15/12/23/327151223.db2.gz JXAOYKCGNFYFNT-HNNXBMFYSA-N 2 2 368.437 2.241 10 0 FEAELP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645221 327151349 /nfs/dbraw/zinc/15/13/49/327151349.db2.gz RSAWSQHBZMEVAT-QGZVFWFLSA-N 2 2 368.481 2.183 10 0 FEAELP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645221 327151351 /nfs/dbraw/zinc/15/13/51/327151351.db2.gz RSAWSQHBZMEVAT-QGZVFWFLSA-N 2 2 368.481 2.183 10 0 FEAELP C[C@H]([C@H](C)NC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCOCC1 ZINC000173190539 327240118 /nfs/dbraw/zinc/24/01/18/327240118.db2.gz DYVAOMQVNMPTFD-YESZJQIVSA-N 2 2 371.485 2.342 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000173457128 327258668 /nfs/dbraw/zinc/25/86/68/327258668.db2.gz DMRGTUCRBNWFSC-SJORKVTESA-N 2 2 371.485 2.295 10 0 FEAELP COCC[N@H+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000173457128 327258669 /nfs/dbraw/zinc/25/86/69/327258669.db2.gz DMRGTUCRBNWFSC-SJORKVTESA-N 2 2 371.485 2.295 10 0 FEAELP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173769434 327283102 /nfs/dbraw/zinc/28/31/02/327283102.db2.gz GSTHBZFNPLUIMK-HXUWFJFHSA-N 2 2 374.529 2.145 10 0 FEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261925347 328829813 /nfs/dbraw/zinc/82/98/13/328829813.db2.gz VOOCYASUJDRXOL-AWEZNQCLSA-N 2 2 351.878 2.053 10 0 FEAELP C[C@@H](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175628409 546323430 /nfs/dbraw/zinc/32/34/30/546323430.db2.gz YZCITDRTNQJZGV-AZUAARDMSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175628409 546323435 /nfs/dbraw/zinc/32/34/35/546323435.db2.gz YZCITDRTNQJZGV-AZUAARDMSA-N 2 2 374.529 2.013 10 0 FEAELP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000175647131 546327635 /nfs/dbraw/zinc/32/76/35/546327635.db2.gz FLKGTIICIVBFNH-GHTZIAJQSA-N 2 2 361.530 2.483 10 0 FEAELP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000175647131 546327639 /nfs/dbraw/zinc/32/76/39/546327639.db2.gz FLKGTIICIVBFNH-GHTZIAJQSA-N 2 2 361.530 2.483 10 0 FEAELP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178298227 546772185 /nfs/dbraw/zinc/77/21/85/546772185.db2.gz UJWJNWWTGGKIII-MRXNPFEDSA-N 2 2 370.453 2.106 10 0 FEAELP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178298227 546772192 /nfs/dbraw/zinc/77/21/92/546772192.db2.gz UJWJNWWTGGKIII-MRXNPFEDSA-N 2 2 370.453 2.106 10 0 FEAELP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000180346893 547088828 /nfs/dbraw/zinc/08/88/28/547088828.db2.gz KOBJAHBQCIHGPP-SJLPKXTDSA-N 2 2 355.486 2.370 10 0 FEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000180346893 547088833 /nfs/dbraw/zinc/08/88/33/547088833.db2.gz KOBJAHBQCIHGPP-SJLPKXTDSA-N 2 2 355.486 2.370 10 0 FEAELP CCC[C@@H](C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)[NH+](C)C ZINC000181364786 547301126 /nfs/dbraw/zinc/30/11/26/547301126.db2.gz OCFFQYWTBFILBO-IBGZPJMESA-N 2 2 360.502 2.020 10 0 FEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000184197371 547786072 /nfs/dbraw/zinc/78/60/72/547786072.db2.gz ROARZGITGCCYFW-ROUUACIJSA-N 2 2 351.466 2.046 10 0 FEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000184197371 547786073 /nfs/dbraw/zinc/78/60/73/547786073.db2.gz ROARZGITGCCYFW-ROUUACIJSA-N 2 2 351.466 2.046 10 0 FEAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CCO1 ZINC000186383474 548126694 /nfs/dbraw/zinc/12/66/94/548126694.db2.gz YOCMQFNWRWPMOS-CVEARBPZSA-N 2 2 368.547 2.103 10 0 FEAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CCO1 ZINC000186383474 548126696 /nfs/dbraw/zinc/12/66/96/548126696.db2.gz YOCMQFNWRWPMOS-CVEARBPZSA-N 2 2 368.547 2.103 10 0 FEAELP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000245414266 548911388 /nfs/dbraw/zinc/91/13/88/548911388.db2.gz CDRKTTWCDYRVLQ-NRSPTQNISA-N 2 2 371.525 2.220 10 0 FEAELP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000245414266 548911390 /nfs/dbraw/zinc/91/13/90/548911390.db2.gz CDRKTTWCDYRVLQ-NRSPTQNISA-N 2 2 371.525 2.220 10 0 FEAELP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246106420 549053211 /nfs/dbraw/zinc/05/32/11/549053211.db2.gz PEWGEHMHCYSINB-HZPDHXFCSA-N 2 2 356.873 2.475 10 0 FEAELP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246106420 549053216 /nfs/dbraw/zinc/05/32/16/549053216.db2.gz PEWGEHMHCYSINB-HZPDHXFCSA-N 2 2 356.873 2.475 10 0 FEAELP COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246176792 549069884 /nfs/dbraw/zinc/06/98/84/549069884.db2.gz UFLJIFGWPLKOKW-OALUTQOASA-N 2 2 371.481 2.402 10 0 FEAELP COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246176792 549069886 /nfs/dbraw/zinc/06/98/86/549069886.db2.gz UFLJIFGWPLKOKW-OALUTQOASA-N 2 2 371.481 2.402 10 0 FEAELP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246509173 549149710 /nfs/dbraw/zinc/14/97/10/549149710.db2.gz UPTIYLNEASQJSA-PXNSSMCTSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246509173 549149713 /nfs/dbraw/zinc/14/97/13/549149713.db2.gz UPTIYLNEASQJSA-PXNSSMCTSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246509173 549149716 /nfs/dbraw/zinc/14/97/16/549149716.db2.gz UPTIYLNEASQJSA-PXNSSMCTSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246509173 549149719 /nfs/dbraw/zinc/14/97/19/549149719.db2.gz UPTIYLNEASQJSA-PXNSSMCTSA-N 2 2 374.529 2.191 10 0 FEAELP Cc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000262265200 549804101 /nfs/dbraw/zinc/80/41/01/549804101.db2.gz RUGNIVJYHLLINQ-MOPGFXCFSA-N 2 2 355.457 2.425 10 0 FEAELP Cc1ccc(CNC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1F ZINC000262265200 549804102 /nfs/dbraw/zinc/80/41/02/549804102.db2.gz RUGNIVJYHLLINQ-MOPGFXCFSA-N 2 2 355.457 2.425 10 0 FEAELP COc1ccccc1N1CC[C@@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000262283618 549806432 /nfs/dbraw/zinc/80/64/32/549806432.db2.gz UZTYKYHAWJEUJA-WSTZPKSXSA-N 2 2 365.477 2.475 10 0 FEAELP COc1ccccc1N1CC[C@@H]([N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000262283618 549806433 /nfs/dbraw/zinc/80/64/33/549806433.db2.gz UZTYKYHAWJEUJA-WSTZPKSXSA-N 2 2 365.477 2.475 10 0 FEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000262930503 549863955 /nfs/dbraw/zinc/86/39/55/549863955.db2.gz HVDGHHJGZJUDQE-QGZVFWFLSA-N 2 2 363.452 2.498 10 0 FEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000262930503 549863957 /nfs/dbraw/zinc/86/39/57/549863957.db2.gz HVDGHHJGZJUDQE-QGZVFWFLSA-N 2 2 363.452 2.498 10 0 FEAELP CC(C)c1nc(N2CCC[C@H]([N@H+](C)Cc3nccc(N)n3)CC2)cc[nH+]1 ZINC000328623334 553797603 /nfs/dbraw/zinc/79/76/03/553797603.db2.gz BWXJJYUCLRFFCQ-HNNXBMFYSA-N 2 2 355.490 2.463 10 0 FEAELP CC(C)c1nc(N2CCC[C@H]([N@@H+](C)Cc3nccc(N)n3)CC2)cc[nH+]1 ZINC000328623334 553797607 /nfs/dbraw/zinc/79/76/07/553797607.db2.gz BWXJJYUCLRFFCQ-HNNXBMFYSA-N 2 2 355.490 2.463 10 0 FEAELP c1cc2nc(c1)C[NH2+][C@@H]1CCCC[C@H]1[NH2+]CCN[C@@H]1CCCC[C@H]1[NH2+]C2 ZINC000022449878 539695152 /nfs/dbraw/zinc/69/51/52/539695152.db2.gz MTQZSJFDXWEENV-XRXFAXGQSA-N 3 2 357.546 2.076 10 0 in-man FEAELP CCCC[N@H+](C)CC1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000247399513 549328916 /nfs/dbraw/zinc/32/89/16/549328916.db2.gz WZQYKGLOSWUMLG-SFHVURJKSA-N 2 2 361.534 2.386 10 0 FEAELP CCCC[N@@H+](C)CC1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000247399513 549328921 /nfs/dbraw/zinc/32/89/21/549328921.db2.gz WZQYKGLOSWUMLG-SFHVURJKSA-N 2 2 361.534 2.386 10 0 FEAELP CCCC[N@H+](C)CC1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000247399513 549328925 /nfs/dbraw/zinc/32/89/25/549328925.db2.gz WZQYKGLOSWUMLG-SFHVURJKSA-N 2 2 361.534 2.386 10 0 FEAELP CCCC[N@@H+](C)CC1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000247399513 549328929 /nfs/dbraw/zinc/32/89/29/549328929.db2.gz WZQYKGLOSWUMLG-SFHVURJKSA-N 2 2 361.534 2.386 10 0 FEAELP COc1ccc(CC[N@@H+]2CCC[C@@H](CN(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000012299706 207354915 /nfs/dbraw/zinc/35/49/15/207354915.db2.gz QQHWUUUNRDVLIR-IBGZPJMESA-N 2 2 370.497 2.305 10 0 FEAELP COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)C(=O)Cn3cc[nH+]c3)C2)cc1 ZINC000012299706 207354922 /nfs/dbraw/zinc/35/49/22/207354922.db2.gz QQHWUUUNRDVLIR-IBGZPJMESA-N 2 2 370.497 2.305 10 0 FEAELP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104783487 543144077 /nfs/dbraw/zinc/14/40/77/543144077.db2.gz UPTIYLNEASQJSA-FXAWDEMLSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104783487 543144081 /nfs/dbraw/zinc/14/40/81/543144081.db2.gz UPTIYLNEASQJSA-FXAWDEMLSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104783487 543144082 /nfs/dbraw/zinc/14/40/82/543144082.db2.gz UPTIYLNEASQJSA-FXAWDEMLSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104783487 543144085 /nfs/dbraw/zinc/14/40/85/543144085.db2.gz UPTIYLNEASQJSA-FXAWDEMLSA-N 2 2 374.529 2.191 10 0 FEAELP Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106129310 543206009 /nfs/dbraw/zinc/20/60/09/543206009.db2.gz JGJANHURPMYUAU-FQEVSTJZSA-N 2 2 372.513 2.028 10 0 FEAELP Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106129310 543206010 /nfs/dbraw/zinc/20/60/10/543206010.db2.gz JGJANHURPMYUAU-FQEVSTJZSA-N 2 2 372.513 2.028 10 0 FEAELP CC[NH+](CC)CCCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111793274 543415823 /nfs/dbraw/zinc/41/58/23/543415823.db2.gz OHQNDWZSXPCMGR-UHFFFAOYSA-N 2 2 353.536 2.011 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000113586828 543491622 /nfs/dbraw/zinc/49/16/22/543491622.db2.gz FVCVEDDMGOUTCE-SJLPKXTDSA-N 2 2 357.502 2.450 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000113586828 543491625 /nfs/dbraw/zinc/49/16/25/543491625.db2.gz FVCVEDDMGOUTCE-SJLPKXTDSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@@H]1CN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[N@@H+]1CCOC ZINC000117472044 543631956 /nfs/dbraw/zinc/63/19/56/543631956.db2.gz XPZLGSHRSOEOBJ-QGZVFWFLSA-N 2 2 373.501 2.097 10 0 FEAELP CC[C@@H]1CN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[N@H+]1CCOC ZINC000117472044 543631960 /nfs/dbraw/zinc/63/19/60/543631960.db2.gz XPZLGSHRSOEOBJ-QGZVFWFLSA-N 2 2 373.501 2.097 10 0 FEAELP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000127148162 543975648 /nfs/dbraw/zinc/97/56/48/543975648.db2.gz HIFINQPZQPNCNX-ZWKOTPCHSA-N 2 2 353.470 2.262 10 0 FEAELP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000152354192 544642370 /nfs/dbraw/zinc/64/23/70/544642370.db2.gz OACZVWMITAWWOO-INIZCTEOSA-N 2 2 371.485 2.031 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000153177682 544743580 /nfs/dbraw/zinc/74/35/80/544743580.db2.gz XFKJYGYUYSMKSK-QZTJIDSGSA-N 2 2 355.438 2.239 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000153177682 544743585 /nfs/dbraw/zinc/74/35/85/544743585.db2.gz XFKJYGYUYSMKSK-QZTJIDSGSA-N 2 2 355.438 2.239 10 0 FEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000153659871 544804207 /nfs/dbraw/zinc/80/42/07/544804207.db2.gz WZOBQBQQUOYPEL-GOSISDBHSA-N 2 2 359.518 2.470 10 0 FEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000153659871 544804214 /nfs/dbraw/zinc/80/42/14/544804214.db2.gz WZOBQBQQUOYPEL-GOSISDBHSA-N 2 2 359.518 2.470 10 0 FEAELP Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000155117114 544991734 /nfs/dbraw/zinc/99/17/34/544991734.db2.gz NPJCJAVAMTUOMJ-FQEVSTJZSA-N 2 2 372.513 2.028 10 0 FEAELP Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000155117114 544991737 /nfs/dbraw/zinc/99/17/37/544991737.db2.gz NPJCJAVAMTUOMJ-FQEVSTJZSA-N 2 2 372.513 2.028 10 0 FEAELP CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000190499933 328212105 /nfs/dbraw/zinc/21/21/05/328212105.db2.gz BGBAAIIUYRZMEZ-KRWDZBQOSA-N 2 2 350.507 2.401 10 0 FEAELP CN(CC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000190499933 328212106 /nfs/dbraw/zinc/21/21/06/328212106.db2.gz BGBAAIIUYRZMEZ-KRWDZBQOSA-N 2 2 350.507 2.401 10 0 FEAELP CC[C@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@@H+]1CCOC ZINC000117301775 326055835 /nfs/dbraw/zinc/05/58/35/326055835.db2.gz WUDKRBCGUHKRBL-IBGZPJMESA-N 2 2 374.529 2.176 10 0 FEAELP CC[C@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@H+]1CCOC ZINC000117301775 326055836 /nfs/dbraw/zinc/05/58/36/326055836.db2.gz WUDKRBCGUHKRBL-IBGZPJMESA-N 2 2 374.529 2.176 10 0 FEAELP Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645204 327150999 /nfs/dbraw/zinc/15/09/99/327150999.db2.gz MIAOVUYBOJYXEO-SFHVURJKSA-N 2 2 352.482 2.483 10 0 FEAELP Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645204 327151001 /nfs/dbraw/zinc/15/10/01/327151001.db2.gz MIAOVUYBOJYXEO-SFHVURJKSA-N 2 2 352.482 2.483 10 0 FEAELP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646230 327151381 /nfs/dbraw/zinc/15/13/81/327151381.db2.gz BZUBBOAVWGQQGS-KRWDZBQOSA-N 2 2 374.510 2.266 10 0 FEAELP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646230 327151383 /nfs/dbraw/zinc/15/13/83/327151383.db2.gz BZUBBOAVWGQQGS-KRWDZBQOSA-N 2 2 374.510 2.266 10 0 FEAELP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648121 327151465 /nfs/dbraw/zinc/15/14/65/327151465.db2.gz ASMCYKGOGVWMCL-INIZCTEOSA-N 2 2 354.454 2.140 10 0 FEAELP COc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648121 327151467 /nfs/dbraw/zinc/15/14/67/327151467.db2.gz ASMCYKGOGVWMCL-INIZCTEOSA-N 2 2 354.454 2.140 10 0 FEAELP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173889240 327291877 /nfs/dbraw/zinc/29/18/77/327291877.db2.gz VOQPNEXDXSBQDZ-RLLQIKCJSA-N 2 2 359.514 2.249 10 0 FEAELP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173909723 327293748 /nfs/dbraw/zinc/29/37/48/327293748.db2.gz MWPBFLLZNRSPRK-HKUYNNGSSA-N 2 2 374.529 2.232 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)Nc2ccccc2)nc[nH+]1 ZINC000174286415 327317345 /nfs/dbraw/zinc/31/73/45/327317345.db2.gz XMEGRPHVZLHPOF-GOEBONIOSA-N 2 2 354.458 2.104 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)nc[nH+]1 ZINC000174288952 327317416 /nfs/dbraw/zinc/31/74/16/327317416.db2.gz WWRCLUKERUYGIT-HZPDHXFCSA-N 2 2 362.522 2.111 10 0 FEAELP C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175519713 327397335 /nfs/dbraw/zinc/39/73/35/327397335.db2.gz CEIWIVFSVDHETA-KRWDZBQOSA-N 2 2 371.485 2.345 10 0 FEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000177146313 546554051 /nfs/dbraw/zinc/55/40/51/546554051.db2.gz ZYQDCEYZQGXCFU-HOTGVXAUSA-N 2 2 351.441 2.211 10 0 FEAELP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+]4CCCC[C@@H]4C3)c2C1 ZINC000177398628 546609389 /nfs/dbraw/zinc/60/93/89/546609389.db2.gz YJIVFYIMVQZRFT-QGZVFWFLSA-N 2 2 370.497 2.047 10 0 FEAELP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+]4CCCC[C@@H]4C3)c2C1 ZINC000177398628 546609394 /nfs/dbraw/zinc/60/93/94/546609394.db2.gz YJIVFYIMVQZRFT-QGZVFWFLSA-N 2 2 370.497 2.047 10 0 FEAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)c2C1 ZINC000177398628 546609398 /nfs/dbraw/zinc/60/93/98/546609398.db2.gz YJIVFYIMVQZRFT-QGZVFWFLSA-N 2 2 370.497 2.047 10 0 FEAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c2C1 ZINC000177398628 546609405 /nfs/dbraw/zinc/60/94/05/546609405.db2.gz YJIVFYIMVQZRFT-QGZVFWFLSA-N 2 2 370.497 2.047 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000177430305 546616444 /nfs/dbraw/zinc/61/64/44/546616444.db2.gz BXORGPDMUWCBGB-QZTJIDSGSA-N 2 2 359.449 2.499 10 0 FEAELP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178310935 546772971 /nfs/dbraw/zinc/77/29/71/546772971.db2.gz KRYYFRBQKUJCQF-OALUTQOASA-N 2 2 372.469 2.054 10 0 FEAELP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178310935 546772976 /nfs/dbraw/zinc/77/29/76/546772976.db2.gz KRYYFRBQKUJCQF-OALUTQOASA-N 2 2 372.469 2.054 10 0 FEAELP COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178305933 546773275 /nfs/dbraw/zinc/77/32/75/546773275.db2.gz MLNOIJAWHPJJRP-MOPGFXCFSA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccccc1COC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178305933 546773281 /nfs/dbraw/zinc/77/32/81/546773281.db2.gz MLNOIJAWHPJJRP-MOPGFXCFSA-N 2 2 359.470 2.242 10 0 FEAELP Cc1ccc([C@H](CNC(=O)NCC[N@@H+](C)C(C)C)[NH+]2CCOCC2)s1 ZINC000178635858 546824165 /nfs/dbraw/zinc/82/41/65/546824165.db2.gz ITZXLHFQKPRUGG-INIZCTEOSA-N 2 2 368.547 2.069 10 0 FEAELP Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)C(C)C)[NH+]2CCOCC2)s1 ZINC000178635858 546824170 /nfs/dbraw/zinc/82/41/70/546824170.db2.gz ITZXLHFQKPRUGG-INIZCTEOSA-N 2 2 368.547 2.069 10 0 FEAELP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1cccc(Br)c1 ZINC000181055843 547239815 /nfs/dbraw/zinc/23/98/15/547239815.db2.gz FHIMWPSJTPJNEE-HNNXBMFYSA-N 2 2 368.275 2.407 10 0 FEAELP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COc1cccc(Br)c1 ZINC000181055843 547239819 /nfs/dbraw/zinc/23/98/19/547239819.db2.gz FHIMWPSJTPJNEE-HNNXBMFYSA-N 2 2 368.275 2.407 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2)C1 ZINC000195278107 548611309 /nfs/dbraw/zinc/61/13/09/548611309.db2.gz XVWFCWFTHDMZKK-UXHICEINSA-N 2 2 355.482 2.275 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2)C1 ZINC000195278107 548611313 /nfs/dbraw/zinc/61/13/13/548611313.db2.gz XVWFCWFTHDMZKK-UXHICEINSA-N 2 2 355.482 2.275 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2)C1 ZINC000195278107 548611315 /nfs/dbraw/zinc/61/13/15/548611315.db2.gz XVWFCWFTHDMZKK-UXHICEINSA-N 2 2 355.482 2.275 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2)C1 ZINC000195278107 548611319 /nfs/dbraw/zinc/61/13/19/548611319.db2.gz XVWFCWFTHDMZKK-UXHICEINSA-N 2 2 355.482 2.275 10 0 FEAELP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2C[NH+](C)CCO2)cc1 ZINC000246428624 549130968 /nfs/dbraw/zinc/13/09/68/549130968.db2.gz MTGMADARVPHIBX-PXNSSMCTSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2C[NH+](C)CCO2)cc1 ZINC000246428624 549130972 /nfs/dbraw/zinc/13/09/72/549130972.db2.gz MTGMADARVPHIBX-PXNSSMCTSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000246428624 549130975 /nfs/dbraw/zinc/13/09/75/549130975.db2.gz MTGMADARVPHIBX-PXNSSMCTSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000246428624 549130978 /nfs/dbraw/zinc/13/09/78/549130978.db2.gz MTGMADARVPHIBX-PXNSSMCTSA-N 2 2 374.529 2.191 10 0 FEAELP CC[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1C[C@H](C)O ZINC000246527151 549153318 /nfs/dbraw/zinc/15/33/18/549153318.db2.gz PAIQOUFTZIHTDL-YJBOKZPZSA-N 2 2 371.485 2.396 10 0 FEAELP CC[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1C[C@H](C)O ZINC000246527151 549153321 /nfs/dbraw/zinc/15/33/21/549153321.db2.gz PAIQOUFTZIHTDL-YJBOKZPZSA-N 2 2 371.485 2.396 10 0 FEAELP C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000246804754 549217295 /nfs/dbraw/zinc/21/72/95/549217295.db2.gz ZCBPCIULDNUTTR-QKLQHJQFSA-N 2 2 374.504 2.031 10 0 FEAELP C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000246804754 549217299 /nfs/dbraw/zinc/21/72/99/549217299.db2.gz ZCBPCIULDNUTTR-QKLQHJQFSA-N 2 2 374.504 2.031 10 0 FEAELP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247000973 549261644 /nfs/dbraw/zinc/26/16/44/549261644.db2.gz KRYYFRBQKUJCQF-RBUKOAKNSA-N 2 2 372.469 2.054 10 0 FEAELP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247000973 549261647 /nfs/dbraw/zinc/26/16/47/549261647.db2.gz KRYYFRBQKUJCQF-RBUKOAKNSA-N 2 2 372.469 2.054 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000247582275 549362281 /nfs/dbraw/zinc/36/22/81/549362281.db2.gz IOGQZIWXMTXSBQ-RHSMWYFYSA-N 2 2 369.469 2.209 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000247582275 549362285 /nfs/dbraw/zinc/36/22/85/549362285.db2.gz IOGQZIWXMTXSBQ-RHSMWYFYSA-N 2 2 369.469 2.209 10 0 FEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000248646149 549476645 /nfs/dbraw/zinc/47/66/45/549476645.db2.gz ROARZGITGCCYFW-QZTJIDSGSA-N 2 2 351.466 2.046 10 0 FEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000248646149 549476646 /nfs/dbraw/zinc/47/66/46/549476646.db2.gz ROARZGITGCCYFW-QZTJIDSGSA-N 2 2 351.466 2.046 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661781 549479501 /nfs/dbraw/zinc/47/95/01/549479501.db2.gz XONNSVMMQXJCAZ-MAUKXSAKSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661781 549479505 /nfs/dbraw/zinc/47/95/05/549479505.db2.gz XONNSVMMQXJCAZ-MAUKXSAKSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661781 549479508 /nfs/dbraw/zinc/47/95/08/549479508.db2.gz XONNSVMMQXJCAZ-MAUKXSAKSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661781 549479511 /nfs/dbraw/zinc/47/95/11/549479511.db2.gz XONNSVMMQXJCAZ-MAUKXSAKSA-N 2 2 358.511 2.432 10 0 FEAELP C[C@H]1C[N@@H+]([C@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CCO1 ZINC000248694863 549486463 /nfs/dbraw/zinc/48/64/63/549486463.db2.gz YOCMQFNWRWPMOS-JKSUJKDBSA-N 2 2 368.547 2.103 10 0 FEAELP C[C@H]1C[N@H+]([C@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CCO1 ZINC000248694863 549486464 /nfs/dbraw/zinc/48/64/64/549486464.db2.gz YOCMQFNWRWPMOS-JKSUJKDBSA-N 2 2 368.547 2.103 10 0 FEAELP C[C@@H]1C[N@@H+]([C@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CCO1 ZINC000248747058 549494969 /nfs/dbraw/zinc/49/49/69/549494969.db2.gz SKOVHHCCFBPEIB-RHSMWYFYSA-N 2 2 374.510 2.401 10 0 FEAELP C[C@@H]1C[N@H+]([C@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CCO1 ZINC000248747058 549494971 /nfs/dbraw/zinc/49/49/71/549494971.db2.gz SKOVHHCCFBPEIB-RHSMWYFYSA-N 2 2 374.510 2.401 10 0 FEAELP COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261625682 549735627 /nfs/dbraw/zinc/73/56/27/549735627.db2.gz DKFHHLHDLNAAOK-AEFFLSMTSA-N 2 2 369.465 2.317 10 0 FEAELP COc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261625682 549735629 /nfs/dbraw/zinc/73/56/29/549735629.db2.gz DKFHHLHDLNAAOK-AEFFLSMTSA-N 2 2 369.465 2.317 10 0 FEAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262229804 549800995 /nfs/dbraw/zinc/80/09/95/549800995.db2.gz NSVYGJQKWWRPAH-OAHLLOKOSA-N 2 2 351.401 2.075 10 0 FEAELP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284431690 551548005 /nfs/dbraw/zinc/54/80/05/551548005.db2.gz DTPONKCSVCPWPM-OXJNMPFZSA-N 2 2 356.518 2.476 10 0 FEAELP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000284431690 551548006 /nfs/dbraw/zinc/54/80/06/551548006.db2.gz DTPONKCSVCPWPM-OXJNMPFZSA-N 2 2 356.518 2.476 10 0 FEAELP Cn1cc[nH+]c1CN(Cc1nnsc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000576697143 571212243 /nfs/dbraw/zinc/21/22/43/571212243.db2.gz CVLJUGYUOTURSX-LBPRGKRZSA-N 2 2 352.895 2.069 10 0 FEAELP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000180726535 672417331 /nfs/dbraw/zinc/41/73/31/672417331.db2.gz FSDFFYFFEBLRNK-CYBMUJFWSA-N 2 2 371.884 2.357 10 0 FEAELP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000074850637 542129332 /nfs/dbraw/zinc/12/93/32/542129332.db2.gz MXLYQECHYMEOFC-QUCCMNQESA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000074850637 542129335 /nfs/dbraw/zinc/12/93/35/542129335.db2.gz MXLYQECHYMEOFC-QUCCMNQESA-N 2 2 374.529 2.013 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000076553137 542292156 /nfs/dbraw/zinc/29/21/56/542292156.db2.gz QWFSAHDTCZLSSA-KRWDZBQOSA-N 2 2 362.518 2.253 10 0 FEAELP C[N@H+](CC(=O)NCCC1=CCCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130319 543205671 /nfs/dbraw/zinc/20/56/71/543205671.db2.gz YJSMXVTWTCQTQP-UHFFFAOYSA-N 2 2 373.545 2.286 10 0 FEAELP C[N@@H+](CC(=O)NCCC1=CCCCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130319 543205675 /nfs/dbraw/zinc/20/56/75/543205675.db2.gz YJSMXVTWTCQTQP-UHFFFAOYSA-N 2 2 373.545 2.286 10 0 FEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000106431899 543230650 /nfs/dbraw/zinc/23/06/50/543230650.db2.gz GHHRJYXIOOZVQC-LJQANCHMSA-N 2 2 352.482 2.340 10 0 FEAELP COc1c(C)c[nH+]c(CN(C)C2CC[NH+](CCn3cccn3)CC2)c1C ZINC000110031145 543346958 /nfs/dbraw/zinc/34/69/58/543346958.db2.gz LMGFHYZDBHWZNV-UHFFFAOYSA-N 2 2 357.502 2.500 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)s1 ZINC000111794546 543415486 /nfs/dbraw/zinc/41/54/86/543415486.db2.gz WXNIIJCLZPQKAA-UHFFFAOYSA-N 2 2 367.563 2.398 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cn1 ZINC000112695478 543457254 /nfs/dbraw/zinc/45/72/54/543457254.db2.gz ZWTQCIIFFQTNME-UHFFFAOYSA-N 2 2 369.517 2.396 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)cn1 ZINC000112695478 543457255 /nfs/dbraw/zinc/45/72/55/543457255.db2.gz ZWTQCIIFFQTNME-UHFFFAOYSA-N 2 2 369.517 2.396 10 0 FEAELP CC[C@H]1CN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[N@@H+]1CCOC ZINC000117472047 543631920 /nfs/dbraw/zinc/63/19/20/543631920.db2.gz XPZLGSHRSOEOBJ-KRWDZBQOSA-N 2 2 373.501 2.097 10 0 FEAELP CC[C@H]1CN(C(=O)NCCn2c(C)[nH+]c3ccccc32)CC[N@H+]1CCOC ZINC000117472047 543631921 /nfs/dbraw/zinc/63/19/21/543631921.db2.gz XPZLGSHRSOEOBJ-KRWDZBQOSA-N 2 2 373.501 2.097 10 0 FEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000151260418 544522278 /nfs/dbraw/zinc/52/22/78/544522278.db2.gz HNRGWGXWVMKEFQ-KXBFYZLASA-N 2 2 360.502 2.468 10 0 FEAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000237862493 328532021 /nfs/dbraw/zinc/53/20/21/328532021.db2.gz FCMQLVAAFJTIOY-HZPDHXFCSA-N 2 2 365.905 2.381 10 0 FEAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111816710 325737214 /nfs/dbraw/zinc/73/72/14/325737214.db2.gz CNOUJUODVNSLDW-CQSZACIVSA-N 2 2 353.536 2.009 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cnc3ccc(C)cn23)nc[nH+]1 ZINC000156582333 326836749 /nfs/dbraw/zinc/83/67/49/326836749.db2.gz OUSUXDOZKZDKHQ-HNNXBMFYSA-N 2 2 351.458 2.233 10 0 FEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000171647275 327151037 /nfs/dbraw/zinc/15/10/37/327151037.db2.gz BDPCVTQEJLJHHH-OAHLLOKOSA-N 2 2 370.453 2.471 10 0 FEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000171647275 327151038 /nfs/dbraw/zinc/15/10/38/327151038.db2.gz BDPCVTQEJLJHHH-OAHLLOKOSA-N 2 2 370.453 2.471 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC(=O)Nc3ccccc3)C2)[nH+]1 ZINC000171651143 327151656 /nfs/dbraw/zinc/15/16/56/327151656.db2.gz WGNZUVAEYBUDDO-MRXNPFEDSA-N 2 2 367.453 2.472 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC(=O)Nc3ccccc3)C2)[nH+]1 ZINC000171651143 327151657 /nfs/dbraw/zinc/15/16/57/327151657.db2.gz WGNZUVAEYBUDDO-MRXNPFEDSA-N 2 2 367.453 2.472 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000173457142 327258592 /nfs/dbraw/zinc/25/85/92/327258592.db2.gz DMRGTUCRBNWFSC-IRXDYDNUSA-N 2 2 371.485 2.295 10 0 FEAELP COCC[N@H+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000173457142 327258593 /nfs/dbraw/zinc/25/85/93/327258593.db2.gz DMRGTUCRBNWFSC-IRXDYDNUSA-N 2 2 371.485 2.295 10 0 FEAELP C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175628394 546323393 /nfs/dbraw/zinc/32/33/93/546323393.db2.gz YZCITDRTNQJZGV-QUCCMNQESA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175628394 546323396 /nfs/dbraw/zinc/32/33/96/546323396.db2.gz YZCITDRTNQJZGV-QUCCMNQESA-N 2 2 374.529 2.013 10 0 FEAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000175923067 546371934 /nfs/dbraw/zinc/37/19/34/546371934.db2.gz XXXHVMSUUDZJPW-GOSISDBHSA-N 2 2 353.470 2.115 10 0 FEAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000175923067 546371938 /nfs/dbraw/zinc/37/19/38/546371938.db2.gz XXXHVMSUUDZJPW-GOSISDBHSA-N 2 2 353.470 2.115 10 0 FEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@@H]2c2nccs2)CC1 ZINC000179304597 546928693 /nfs/dbraw/zinc/92/86/93/546928693.db2.gz LQSBBMWSPPTZHT-MRXNPFEDSA-N 2 2 365.547 2.406 10 0 FEAELP CC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179965157 547033560 /nfs/dbraw/zinc/03/35/60/547033560.db2.gz PEWGEHMHCYSINB-CVEARBPZSA-N 2 2 356.873 2.475 10 0 FEAELP CC[N@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179965157 547033568 /nfs/dbraw/zinc/03/35/68/547033568.db2.gz PEWGEHMHCYSINB-CVEARBPZSA-N 2 2 356.873 2.475 10 0 FEAELP C[C@@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653424 547150437 /nfs/dbraw/zinc/15/04/37/547150437.db2.gz QAYMDIUUVBEKQW-BEFAXECRSA-N 2 2 364.453 2.452 10 0 FEAELP Cc1ccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]2CCOCC2)s1 ZINC000186383155 548127021 /nfs/dbraw/zinc/12/70/21/548127021.db2.gz RIKFXUNTFYNPOO-INIZCTEOSA-N 2 2 368.547 2.023 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCC2CCC2)C1 ZINC000195263411 548606737 /nfs/dbraw/zinc/60/67/37/548606737.db2.gz DQRYVVDAAXYVQS-INIZCTEOSA-N 2 2 350.532 2.122 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCC2CCC2)C1 ZINC000195263411 548606740 /nfs/dbraw/zinc/60/67/40/548606740.db2.gz DQRYVVDAAXYVQS-INIZCTEOSA-N 2 2 350.532 2.122 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000195263411 548606743 /nfs/dbraw/zinc/60/67/43/548606743.db2.gz DQRYVVDAAXYVQS-INIZCTEOSA-N 2 2 350.532 2.122 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000195263411 548606745 /nfs/dbraw/zinc/60/67/45/548606745.db2.gz DQRYVVDAAXYVQS-INIZCTEOSA-N 2 2 350.532 2.122 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000245912788 549016670 /nfs/dbraw/zinc/01/66/70/549016670.db2.gz DSBRIDLRLINVPZ-GDBMZVCRSA-N 2 2 367.453 2.030 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000245912788 549016675 /nfs/dbraw/zinc/01/66/75/549016675.db2.gz DSBRIDLRLINVPZ-GDBMZVCRSA-N 2 2 367.453 2.030 10 0 FEAELP CC1CC[NH+](CC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246620416 549176763 /nfs/dbraw/zinc/17/67/63/549176763.db2.gz VTZOGQPKDYDORI-IRXDYDNUSA-N 2 2 365.543 2.358 10 0 FEAELP CC1CC[NH+](CC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000246620416 549176766 /nfs/dbraw/zinc/17/67/66/549176766.db2.gz VTZOGQPKDYDORI-IRXDYDNUSA-N 2 2 365.543 2.358 10 0 FEAELP CCN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662651 549479837 /nfs/dbraw/zinc/47/98/37/549479837.db2.gz YQVAOZQBJYCZTM-HOTGVXAUSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000248662651 549479841 /nfs/dbraw/zinc/47/98/41/549479841.db2.gz YQVAOZQBJYCZTM-HOTGVXAUSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000248662651 549479845 /nfs/dbraw/zinc/47/98/45/549479845.db2.gz YQVAOZQBJYCZTM-HOTGVXAUSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000248662651 549479847 /nfs/dbraw/zinc/47/98/47/549479847.db2.gz YQVAOZQBJYCZTM-HOTGVXAUSA-N 2 2 352.548 2.462 10 0 FEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3F)C[C@@H]12 ZINC000261755405 549751850 /nfs/dbraw/zinc/75/18/50/549751850.db2.gz UHAZMOUTKPGSPY-IRUJWGPZSA-N 2 2 356.239 2.196 10 0 FEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3F)C[C@@H]12 ZINC000261755405 549751854 /nfs/dbraw/zinc/75/18/54/549751854.db2.gz UHAZMOUTKPGSPY-IRUJWGPZSA-N 2 2 356.239 2.196 10 0 FEAELP COCCc1noc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261776332 549754306 /nfs/dbraw/zinc/75/43/06/549754306.db2.gz MSMYHDWIMZUDAE-OAHLLOKOSA-N 2 2 362.499 2.464 10 0 FEAELP COCCc1noc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261776332 549754308 /nfs/dbraw/zinc/75/43/08/549754308.db2.gz MSMYHDWIMZUDAE-OAHLLOKOSA-N 2 2 362.499 2.464 10 0 FEAELP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262029022 549781995 /nfs/dbraw/zinc/78/19/95/549781995.db2.gz XHJQOAZXOTZIPV-RBSFLKMASA-N 2 2 359.392 2.269 10 0 FEAELP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262029021 549782555 /nfs/dbraw/zinc/78/25/55/549782555.db2.gz XHJQOAZXOTZIPV-KFWWJZLASA-N 2 2 359.392 2.269 10 0 FEAELP C[NH+](C)C1CC[NH+](C[C@H](O)COc2cccc(Br)c2)CC1 ZINC000193811976 672737302 /nfs/dbraw/zinc/73/73/02/672737302.db2.gz VHASATKZIWNGTI-HNNXBMFYSA-N 2 2 357.292 2.215 10 0 FEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3Br)OCCO4)C[C@H]12 ZINC000261799079 672903669 /nfs/dbraw/zinc/90/36/69/672903669.db2.gz YNXSCGTZYJCELL-SCDSUCTJSA-N 2 2 353.260 2.389 10 0 FEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)C[C@H]12 ZINC000261799079 672903671 /nfs/dbraw/zinc/90/36/71/672903671.db2.gz YNXSCGTZYJCELL-SCDSUCTJSA-N 2 2 353.260 2.389 10 0 FEAELP CC[NH+]1CCN(CCC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000075262881 542164440 /nfs/dbraw/zinc/16/44/40/542164440.db2.gz BBJZCIPLDCPTKL-KRWDZBQOSA-N 2 2 355.486 2.077 10 0 FEAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000093300164 542924540 /nfs/dbraw/zinc/92/45/40/542924540.db2.gz XWINASCSLMWJIL-KRWDZBQOSA-N 2 2 370.497 2.219 10 0 FEAELP Cc1ccccc1NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130667 543205939 /nfs/dbraw/zinc/20/59/39/543205939.db2.gz ICADOYBVRSCICA-UHFFFAOYSA-N 2 2 355.486 2.226 10 0 FEAELP Cc1ccccc1NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130667 543205940 /nfs/dbraw/zinc/20/59/40/543205940.db2.gz ICADOYBVRSCICA-UHFFFAOYSA-N 2 2 355.486 2.226 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000106216597 543219635 /nfs/dbraw/zinc/21/96/35/543219635.db2.gz CFEUXDUMMDNGBS-MRXNPFEDSA-N 2 2 370.453 2.128 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000106216597 543219637 /nfs/dbraw/zinc/21/96/37/543219637.db2.gz CFEUXDUMMDNGBS-MRXNPFEDSA-N 2 2 370.453 2.128 10 0 FEAELP c1nn(-c2ccccc2)cc1C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000132288145 544225767 /nfs/dbraw/zinc/22/57/67/544225767.db2.gz PUMBUOBXCXHASQ-UHFFFAOYSA-N 2 2 353.514 2.476 10 0 FEAELP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151108135 544505789 /nfs/dbraw/zinc/50/57/89/544505789.db2.gz QGUWBCMKPQYUMN-IEBWSBKVSA-N 2 2 369.465 2.458 10 0 FEAELP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151108135 544505792 /nfs/dbraw/zinc/50/57/92/544505792.db2.gz QGUWBCMKPQYUMN-IEBWSBKVSA-N 2 2 369.465 2.458 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000154588688 544925518 /nfs/dbraw/zinc/92/55/18/544925518.db2.gz DSBRIDLRLINVPZ-HOCLYGCPSA-N 2 2 367.453 2.030 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000154588688 544925522 /nfs/dbraw/zinc/92/55/22/544925522.db2.gz DSBRIDLRLINVPZ-HOCLYGCPSA-N 2 2 367.453 2.030 10 0 FEAELP Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000155117000 544991815 /nfs/dbraw/zinc/99/18/15/544991815.db2.gz NPJCJAVAMTUOMJ-HXUWFJFHSA-N 2 2 372.513 2.028 10 0 FEAELP Cc1cccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000155117000 544991819 /nfs/dbraw/zinc/99/18/19/544991819.db2.gz NPJCJAVAMTUOMJ-HXUWFJFHSA-N 2 2 372.513 2.028 10 0 FEAELP CC1(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000182141176 327762567 /nfs/dbraw/zinc/76/25/67/327762567.db2.gz OYOCVOXGYVCESP-FQEVSTJZSA-N 2 2 371.525 2.222 10 0 FEAELP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCC[C@@H]2CO)nc[nH+]1 ZINC000192236342 328308523 /nfs/dbraw/zinc/30/85/23/328308523.db2.gz MOWZGJSTSCHTSB-MRXNPFEDSA-N 2 2 358.490 2.113 10 0 FEAELP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000192236342 328308524 /nfs/dbraw/zinc/30/85/24/328308524.db2.gz MOWZGJSTSCHTSB-MRXNPFEDSA-N 2 2 358.490 2.113 10 0 FEAELP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1 ZINC000079200820 325080979 /nfs/dbraw/zinc/08/09/79/325080979.db2.gz WCDFDWAAPLUEBO-QGZVFWFLSA-N 2 2 362.518 2.048 10 0 FEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C1 ZINC000121049512 326309593 /nfs/dbraw/zinc/30/95/93/326309593.db2.gz AXQBHDXFVLXMGW-OAQYLSRUSA-N 2 2 371.525 2.189 10 0 FEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C1 ZINC000121049512 326309595 /nfs/dbraw/zinc/30/95/95/326309595.db2.gz AXQBHDXFVLXMGW-OAQYLSRUSA-N 2 2 371.525 2.189 10 0 FEAELP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000137201279 326658976 /nfs/dbraw/zinc/65/89/76/326658976.db2.gz GGUXKZIJBZNMPY-CYBMUJFWSA-N 2 2 363.259 2.103 10 0 FEAELP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000151283140 326678638 /nfs/dbraw/zinc/67/86/38/326678638.db2.gz XDLUGOQYVXHHDY-HOCLYGCPSA-N 2 2 352.475 2.210 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[NH+](C[C@H](O)CC)CC1 ZINC000172819541 327220966 /nfs/dbraw/zinc/22/09/66/327220966.db2.gz LDKSUPLPPGCQOF-OAHLLOKOSA-N 2 2 357.454 2.304 10 0 FEAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173977906 327299395 /nfs/dbraw/zinc/29/93/95/327299395.db2.gz NDTMXYRYXDTEHZ-HNNXBMFYSA-N 2 2 357.454 2.041 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)Nc2ccccc2)nc[nH+]1 ZINC000174286389 327317450 /nfs/dbraw/zinc/31/74/50/327317450.db2.gz XMEGRPHVZLHPOF-HOCLYGCPSA-N 2 2 354.458 2.104 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C[C@@H]1CC ZINC000175472031 327394710 /nfs/dbraw/zinc/39/47/10/327394710.db2.gz JASPJPYYVHSSOX-KRWDZBQOSA-N 2 2 365.522 2.181 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C[C@@H]1CC ZINC000175472031 327394712 /nfs/dbraw/zinc/39/47/12/327394712.db2.gz JASPJPYYVHSSOX-KRWDZBQOSA-N 2 2 365.522 2.181 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000175761019 546345456 /nfs/dbraw/zinc/34/54/56/546345456.db2.gz GPYJXLQAWHOPGQ-KRWDZBQOSA-N 2 2 365.441 2.146 10 0 FEAELP O[C@H](C[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1)c1ccccc1 ZINC000177129379 546550779 /nfs/dbraw/zinc/55/07/79/546550779.db2.gz IQNUPKUQQNPUTJ-HXUWFJFHSA-N 2 2 363.465 2.119 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000177430290 546616227 /nfs/dbraw/zinc/61/62/27/546616227.db2.gz BXORGPDMUWCBGB-MSOLQXFVSA-N 2 2 359.449 2.499 10 0 FEAELP CCOC(=O)[C@@H](CC(C)C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182141037 547443974 /nfs/dbraw/zinc/44/39/74/547443974.db2.gz CAUFWYYASBYFEZ-GOSISDBHSA-N 2 2 350.507 2.257 10 0 FEAELP CCOC(=O)[C@@H](CC(C)C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182141037 547443979 /nfs/dbraw/zinc/44/39/79/547443979.db2.gz CAUFWYYASBYFEZ-GOSISDBHSA-N 2 2 350.507 2.257 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cn(Cc4cccnc4)nn3)C2)[nH+]1 ZINC000183035726 547590789 /nfs/dbraw/zinc/59/07/89/547590789.db2.gz KQQHVQPVOLQNJK-GOSISDBHSA-N 2 2 363.469 2.359 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cn(Cc4cccnc4)nn3)C2)[nH+]1 ZINC000183035726 547590793 /nfs/dbraw/zinc/59/07/93/547590793.db2.gz KQQHVQPVOLQNJK-GOSISDBHSA-N 2 2 363.469 2.359 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000246130675 549059341 /nfs/dbraw/zinc/05/93/41/549059341.db2.gz IXCNVCYEQABRPN-MSOLQXFVSA-N 2 2 357.502 2.319 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000246130675 549059347 /nfs/dbraw/zinc/05/93/47/549059347.db2.gz IXCNVCYEQABRPN-MSOLQXFVSA-N 2 2 357.502 2.319 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000247184389 549296446 /nfs/dbraw/zinc/29/64/46/549296446.db2.gz KPRCANNDAQBXPY-CKEIUWERSA-N 2 2 366.456 2.446 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1c(F)cccc1F)[NH+](C)C ZINC000247184389 549296451 /nfs/dbraw/zinc/29/64/51/549296451.db2.gz KPRCANNDAQBXPY-CKEIUWERSA-N 2 2 366.456 2.446 10 0 FEAELP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261746712 549750553 /nfs/dbraw/zinc/75/05/53/549750553.db2.gz SRULHKFASUPFQH-NJZAAPMLSA-N 2 2 352.276 2.365 10 0 FEAELP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261746712 549750555 /nfs/dbraw/zinc/75/05/55/549750555.db2.gz SRULHKFASUPFQH-NJZAAPMLSA-N 2 2 352.276 2.365 10 0 FEAELP CCn1cc[nH+]c1CN(C(=O)COc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261778230 549754299 /nfs/dbraw/zinc/75/42/99/549754299.db2.gz OXNGECCAJOWVMC-GOSISDBHSA-N 2 2 368.481 2.453 10 0 FEAELP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000261962986 549774670 /nfs/dbraw/zinc/77/46/70/549774670.db2.gz PUMWIMMYGDNGDI-AQNXPRMDSA-N 2 2 354.498 2.373 10 0 FEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000302189219 553709592 /nfs/dbraw/zinc/70/95/92/553709592.db2.gz XRHGUBRRZFBYPL-BHIYHBOVSA-N 2 2 367.497 2.370 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCC[C@@H]2CO)[nH+]cn1 ZINC000302189219 553709593 /nfs/dbraw/zinc/70/95/93/553709593.db2.gz XRHGUBRRZFBYPL-BHIYHBOVSA-N 2 2 367.497 2.370 10 0 FEAELP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc4c(cc3Br)OCCO4)C[C@@H]12 ZINC000261799074 672903470 /nfs/dbraw/zinc/90/34/70/672903470.db2.gz YNXSCGTZYJCELL-MPKXVKKWSA-N 2 2 353.260 2.389 10 0 FEAELP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)C[C@@H]12 ZINC000261799074 672903473 /nfs/dbraw/zinc/90/34/73/672903473.db2.gz YNXSCGTZYJCELL-MPKXVKKWSA-N 2 2 353.260 2.389 10 0 FEAELP C[NH+](C)CCNC(=O)c1coc(C[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000037547410 539997190 /nfs/dbraw/zinc/99/71/90/539997190.db2.gz WEZROJRLFBIPCI-UHFFFAOYSA-N 2 2 370.497 2.421 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000106212124 543218371 /nfs/dbraw/zinc/21/83/71/543218371.db2.gz UHADVNJOUXTIOS-QGZVFWFLSA-N 2 2 350.507 2.261 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCOCCC(C)C)C1 ZINC000106212124 543218373 /nfs/dbraw/zinc/21/83/73/543218373.db2.gz UHADVNJOUXTIOS-QGZVFWFLSA-N 2 2 350.507 2.261 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000106217438 543219326 /nfs/dbraw/zinc/21/93/26/543219326.db2.gz ZOHLPECCNFDRAW-INIZCTEOSA-N 2 2 361.490 2.241 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000106217438 543219328 /nfs/dbraw/zinc/21/93/28/543219328.db2.gz ZOHLPECCNFDRAW-INIZCTEOSA-N 2 2 361.490 2.241 10 0 FEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000124369407 543816882 /nfs/dbraw/zinc/81/68/82/543816882.db2.gz GOFFPWWKMKWAJT-LJQANCHMSA-N 2 2 359.518 2.029 10 0 FEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2cccnc2)CC1 ZINC000124369407 543816884 /nfs/dbraw/zinc/81/68/84/543816884.db2.gz GOFFPWWKMKWAJT-LJQANCHMSA-N 2 2 359.518 2.029 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000132226394 544223602 /nfs/dbraw/zinc/22/36/02/544223602.db2.gz PGRXBLFOURCIPM-AOIWGVFYSA-N 2 2 359.518 2.199 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)C1 ZINC000132226394 544223604 /nfs/dbraw/zinc/22/36/04/544223604.db2.gz PGRXBLFOURCIPM-AOIWGVFYSA-N 2 2 359.518 2.199 10 0 FEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C1 ZINC000152050928 544610258 /nfs/dbraw/zinc/61/02/58/544610258.db2.gz MGIQPFKJZICFKT-SFHVURJKSA-N 2 2 367.484 2.234 10 0 FEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C1 ZINC000152050928 544610262 /nfs/dbraw/zinc/61/02/62/544610262.db2.gz MGIQPFKJZICFKT-SFHVURJKSA-N 2 2 367.484 2.234 10 0 FEAELP C[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000190397797 328205336 /nfs/dbraw/zinc/20/53/36/328205336.db2.gz TWUTYORXPQSBMJ-HNNXBMFYSA-N 2 2 350.894 2.092 10 0 FEAELP C[N@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCc2c(Cl)cccc2C1 ZINC000190397797 328205337 /nfs/dbraw/zinc/20/53/37/328205337.db2.gz TWUTYORXPQSBMJ-HNNXBMFYSA-N 2 2 350.894 2.092 10 0 FEAELP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000190397797 328205338 /nfs/dbraw/zinc/20/53/38/328205338.db2.gz TWUTYORXPQSBMJ-HNNXBMFYSA-N 2 2 350.894 2.092 10 0 FEAELP C[NH+]1CCC[C@H]1CNC(=O)NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000190397797 328205339 /nfs/dbraw/zinc/20/53/39/328205339.db2.gz TWUTYORXPQSBMJ-HNNXBMFYSA-N 2 2 350.894 2.092 10 0 FEAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000190904816 328239305 /nfs/dbraw/zinc/23/93/05/328239305.db2.gz HBAMWACLAALHAI-ZRZPHAQCSA-N 2 2 361.486 2.300 10 0 FEAELP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000190904816 328239307 /nfs/dbraw/zinc/23/93/07/328239307.db2.gz HBAMWACLAALHAI-ZRZPHAQCSA-N 2 2 361.486 2.300 10 0 FEAELP c1cncc(C[NH+]2CCC([NH2+][C@@H]3CCCN(c4cccnn4)C3)CC2)c1 ZINC000089732364 325329159 /nfs/dbraw/zinc/32/91/59/325329159.db2.gz XVNKVSFBVIFAGY-LJQANCHMSA-N 2 2 352.486 2.095 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NC[C@H]3CCC[N@@H+](C)C3)CC2)cs1 ZINC000116548644 326022234 /nfs/dbraw/zinc/02/22/34/326022234.db2.gz ORPFBVLOZBUMFA-MRXNPFEDSA-N 2 2 365.547 2.011 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NC[C@H]3CCC[N@H+](C)C3)CC2)cs1 ZINC000116548644 326022237 /nfs/dbraw/zinc/02/22/37/326022237.db2.gz ORPFBVLOZBUMFA-MRXNPFEDSA-N 2 2 365.547 2.011 10 0 FEAELP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[NH+](C)C3)CC2)cs1 ZINC000116548644 326022239 /nfs/dbraw/zinc/02/22/39/326022239.db2.gz ORPFBVLOZBUMFA-MRXNPFEDSA-N 2 2 365.547 2.011 10 0 FEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@H]3CCC[NH+](C)C3)CC2)cs1 ZINC000116548644 326022242 /nfs/dbraw/zinc/02/22/42/326022242.db2.gz ORPFBVLOZBUMFA-MRXNPFEDSA-N 2 2 365.547 2.011 10 0 FEAELP Cn1cc[nH+]c1CC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000128723598 326528931 /nfs/dbraw/zinc/52/89/31/326528931.db2.gz UOJXJWWOCDXOEH-QGZVFWFLSA-N 2 2 368.485 2.058 10 0 FEAELP Cc1csc2nc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)n12 ZINC000171646054 327151047 /nfs/dbraw/zinc/15/10/47/327151047.db2.gz PNDJTZCOHFCUIT-CQSZACIVSA-N 2 2 355.467 2.393 10 0 FEAELP Cc1csc2nc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc(=O)n12 ZINC000171646054 327151049 /nfs/dbraw/zinc/15/10/49/327151049.db2.gz PNDJTZCOHFCUIT-CQSZACIVSA-N 2 2 355.467 2.393 10 0 FEAELP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645622 327151115 /nfs/dbraw/zinc/15/11/15/327151115.db2.gz BKLCIHRNYWIZIF-GOSISDBHSA-N 2 2 368.481 2.319 10 0 FEAELP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645622 327151117 /nfs/dbraw/zinc/15/11/17/327151117.db2.gz BKLCIHRNYWIZIF-GOSISDBHSA-N 2 2 368.481 2.319 10 0 FEAELP CC[C@@H](O)C[NH+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000173163601 327238478 /nfs/dbraw/zinc/23/84/78/327238478.db2.gz WSIZKNRYJWONKQ-OAHLLOKOSA-N 2 2 359.470 2.023 10 0 FEAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173173890 327239089 /nfs/dbraw/zinc/23/90/89/327239089.db2.gz PWVZMORYMCWFBG-APWZRJJASA-N 2 2 371.485 2.343 10 0 FEAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173173890 327239090 /nfs/dbraw/zinc/23/90/90/327239090.db2.gz PWVZMORYMCWFBG-APWZRJJASA-N 2 2 371.485 2.343 10 0 FEAELP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173961738 327298226 /nfs/dbraw/zinc/29/82/26/327298226.db2.gz SPSIBDQFGYZCMV-PXNSSMCTSA-N 2 2 357.498 2.075 10 0 FEAELP C[C@@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)[C@@H](C[NH3+])C1 ZINC000261875838 328826012 /nfs/dbraw/zinc/82/60/12/328826012.db2.gz STPRJMUDYAYREJ-CRAIPNDOSA-N 2 2 369.469 2.111 10 0 FEAELP Cc1ccc(CC(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000262138745 524247295 /nfs/dbraw/zinc/24/72/95/524247295.db2.gz PHVCRIUIKXUBFD-GOSISDBHSA-N 2 2 352.482 2.442 10 0 FEAELP COc1ccsc1C(=O)N(Cc1[nH+]ccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262178037 524869722 /nfs/dbraw/zinc/86/97/22/524869722.db2.gz WETIPOQHMUGXAQ-CQSZACIVSA-N 2 2 360.483 2.275 10 0 FEAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000176352216 546435151 /nfs/dbraw/zinc/43/51/51/546435151.db2.gz FZIJJAKYQZSWSU-LSDHHAIUSA-N 2 2 357.458 2.006 10 0 FEAELP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000176352216 546435153 /nfs/dbraw/zinc/43/51/53/546435153.db2.gz FZIJJAKYQZSWSU-LSDHHAIUSA-N 2 2 357.458 2.006 10 0 FEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176973804 546517167 /nfs/dbraw/zinc/51/71/67/546517167.db2.gz CPBCWNRVXRMWCH-QGZVFWFLSA-N 2 2 371.485 2.118 10 0 FEAELP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745528 546842264 /nfs/dbraw/zinc/84/22/64/546842264.db2.gz BWBBACYLFQGGQX-QGZVFWFLSA-N 2 2 356.426 2.081 10 0 FEAELP COC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745528 546842269 /nfs/dbraw/zinc/84/22/69/546842269.db2.gz BWBBACYLFQGGQX-QGZVFWFLSA-N 2 2 356.426 2.081 10 0 FEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178752934 546844088 /nfs/dbraw/zinc/84/40/88/546844088.db2.gz XNFMEVDHGSCJFK-QGZVFWFLSA-N 2 2 370.453 2.390 10 0 FEAELP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178752934 546844090 /nfs/dbraw/zinc/84/40/90/546844090.db2.gz XNFMEVDHGSCJFK-QGZVFWFLSA-N 2 2 370.453 2.390 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CC(=O)N2CCCCCC2)nc[nH+]1 ZINC000180564911 547132129 /nfs/dbraw/zinc/13/21/29/547132129.db2.gz RQOPDNZIWUATBH-IAGOWNOFSA-N 2 2 374.533 2.258 10 0 FEAELP C[N@H+](C[C@@H](O)CCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182345161 547476260 /nfs/dbraw/zinc/47/62/60/547476260.db2.gz WMGBTYNHJNVFGV-NRFANRHFSA-N 2 2 356.514 2.273 10 0 FEAELP C[N@@H+](C[C@@H](O)CCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182345161 547476266 /nfs/dbraw/zinc/47/62/66/547476266.db2.gz WMGBTYNHJNVFGV-NRFANRHFSA-N 2 2 356.514 2.273 10 0 FEAELP Clc1ccc(C2=NO[C@H](C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000245684601 548974767 /nfs/dbraw/zinc/97/47/67/548974767.db2.gz ADUDCDIPQIRREZ-YJBOKZPZSA-N 2 2 363.889 2.487 10 0 FEAELP Clc1ccc(C2=NO[C@H](C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000245684601 548974771 /nfs/dbraw/zinc/97/47/71/548974771.db2.gz ADUDCDIPQIRREZ-YJBOKZPZSA-N 2 2 363.889 2.487 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245687894 548975233 /nfs/dbraw/zinc/97/52/33/548975233.db2.gz OAGMLEANVHEZQF-PBHICJAKSA-N 2 2 361.490 2.077 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245687894 548975239 /nfs/dbraw/zinc/97/52/39/548975239.db2.gz OAGMLEANVHEZQF-PBHICJAKSA-N 2 2 361.490 2.077 10 0 FEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000248630043 549471157 /nfs/dbraw/zinc/47/11/57/549471157.db2.gz GQUVPZIEDYELDF-MSOLQXFVSA-N 2 2 363.502 2.342 10 0 FEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000248630043 549471159 /nfs/dbraw/zinc/47/11/59/549471159.db2.gz GQUVPZIEDYELDF-MSOLQXFVSA-N 2 2 363.502 2.342 10 0 FEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)no1 ZINC000261761906 549752744 /nfs/dbraw/zinc/75/27/44/549752744.db2.gz OCBKKRQKDCXEMJ-GFCCVEGCSA-N 2 2 358.377 2.097 10 0 FEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)no1 ZINC000261761906 549752745 /nfs/dbraw/zinc/75/27/45/549752745.db2.gz OCBKKRQKDCXEMJ-GFCCVEGCSA-N 2 2 358.377 2.097 10 0 FEAELP CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCC[NH2+]C1 ZINC000261861151 549763377 /nfs/dbraw/zinc/76/33/77/549763377.db2.gz UIVVCJCYZNNOJS-ZDUSSCGKSA-N 2 2 374.348 2.448 10 0 FEAELP CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CCC[NH2+]C1 ZINC000261861151 549763379 /nfs/dbraw/zinc/76/33/79/549763379.db2.gz UIVVCJCYZNNOJS-ZDUSSCGKSA-N 2 2 374.348 2.448 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)c2)C[C@H](C)O1 ZINC000263282335 549891803 /nfs/dbraw/zinc/89/18/03/549891803.db2.gz UMCRCTJVSSTZIJ-ZENOOKHLSA-N 2 2 353.413 2.232 10 0 FEAELP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)c2)C[C@H](C)O1 ZINC000263282335 549891805 /nfs/dbraw/zinc/89/18/05/549891805.db2.gz UMCRCTJVSSTZIJ-ZENOOKHLSA-N 2 2 353.413 2.232 10 0 FEAELP CCOc1cc2[nH+]ccc(NC[C@H]3CN4CC[NH+]3CC4)c2cc1OCC ZINC000301801490 553681198 /nfs/dbraw/zinc/68/11/98/553681198.db2.gz WQCDAWKJENLYQH-HNNXBMFYSA-N 2 2 356.470 2.444 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NCC2CCN(c3cc[nH+]cc3)CC2)[nH+]cn1 ZINC000301959143 553694586 /nfs/dbraw/zinc/69/45/86/553694586.db2.gz OQYTZUGXVAMKLS-SFHVURJKSA-N 2 2 368.485 2.161 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NCC2CCN(c3cc[nH+]cc3)CC2)nc[nH+]1 ZINC000301959143 553694588 /nfs/dbraw/zinc/69/45/88/553694588.db2.gz OQYTZUGXVAMKLS-SFHVURJKSA-N 2 2 368.485 2.161 10 0 FEAELP Cc1cc(N2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000052806844 670318299 /nfs/dbraw/zinc/31/82/99/670318299.db2.gz AMKPWEMIINDEHB-MRXNPFEDSA-N 2 2 350.507 2.206 10 0 FEAELP CC[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@@H+]1CCOC ZINC000117484617 543633500 /nfs/dbraw/zinc/63/35/00/543633500.db2.gz OTIIVHWKUQKEFN-SFHVURJKSA-N 2 2 371.485 2.125 10 0 FEAELP CC[C@H]1CN(C(=O)NCc2ccccc2-n2cc[nH+]c2)CC[N@H+]1CCOC ZINC000117484617 543633503 /nfs/dbraw/zinc/63/35/03/543633503.db2.gz OTIIVHWKUQKEFN-SFHVURJKSA-N 2 2 371.485 2.125 10 0 FEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4ccccc4n3)CC2)C1 ZINC000124610085 543832296 /nfs/dbraw/zinc/83/22/96/543832296.db2.gz WMJDMPNVPAWAAR-NRFANRHFSA-N 2 2 368.525 2.462 10 0 FEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc4ccccc4n3)CC2)C1 ZINC000124610085 543832300 /nfs/dbraw/zinc/83/23/00/543832300.db2.gz WMJDMPNVPAWAAR-NRFANRHFSA-N 2 2 368.525 2.462 10 0 FEAELP C[C@@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000152354282 544642895 /nfs/dbraw/zinc/64/28/95/544642895.db2.gz OACZVWMITAWWOO-MRXNPFEDSA-N 2 2 371.485 2.031 10 0 FEAELP CCN(CC(=O)OC(C)(C)C)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000190352586 328201922 /nfs/dbraw/zinc/20/19/22/328201922.db2.gz IRQFMHFJALFALH-UHFFFAOYSA-N 2 2 350.507 2.401 10 0 FEAELP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000122200470 326387777 /nfs/dbraw/zinc/38/77/77/326387777.db2.gz XLVRPHNZTJZZBR-MRXNPFEDSA-N 2 2 368.437 2.413 10 0 FEAELP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000122200470 326387778 /nfs/dbraw/zinc/38/77/78/326387778.db2.gz XLVRPHNZTJZZBR-MRXNPFEDSA-N 2 2 368.437 2.413 10 0 FEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2sccc2C1 ZINC000171643482 327150855 /nfs/dbraw/zinc/15/08/55/327150855.db2.gz KFQGAPARDUKTKB-HNNXBMFYSA-N 2 2 356.495 2.462 10 0 FEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2sccc2C1 ZINC000171643482 327150856 /nfs/dbraw/zinc/15/08/56/327150856.db2.gz KFQGAPARDUKTKB-HNNXBMFYSA-N 2 2 356.495 2.462 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1C ZINC000173663608 327274745 /nfs/dbraw/zinc/27/47/45/327274745.db2.gz WDVXITVSHWDCQS-OAHLLOKOSA-N 2 2 359.470 2.287 10 0 FEAELP COCC[N@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1C ZINC000173663608 327274747 /nfs/dbraw/zinc/27/47/47/327274747.db2.gz WDVXITVSHWDCQS-OAHLLOKOSA-N 2 2 359.470 2.287 10 0 FEAELP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173767122 327282833 /nfs/dbraw/zinc/28/28/33/327282833.db2.gz BMKUVBUUWXBRNQ-HXUWFJFHSA-N 2 2 374.529 2.145 10 0 FEAELP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000173961724 327298281 /nfs/dbraw/zinc/29/82/81/327298281.db2.gz SPSIBDQFGYZCMV-XLIONFOSSA-N 2 2 357.498 2.075 10 0 FEAELP C[C@H](CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000175010394 327367801 /nfs/dbraw/zinc/36/78/01/327367801.db2.gz FYABSNUKBSQNAY-RBUKOAKNSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000175010394 327367803 /nfs/dbraw/zinc/36/78/03/327367803.db2.gz FYABSNUKBSQNAY-RBUKOAKNSA-N 2 2 374.529 2.013 10 0 FEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000177326710 546595225 /nfs/dbraw/zinc/59/52/25/546595225.db2.gz IZSOYJSPJTYHCF-PMACEKPBSA-N 2 2 374.529 2.186 10 0 FEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000177326710 546595229 /nfs/dbraw/zinc/59/52/29/546595229.db2.gz IZSOYJSPJTYHCF-PMACEKPBSA-N 2 2 374.529 2.186 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000178426283 546792042 /nfs/dbraw/zinc/79/20/42/546792042.db2.gz AALXEXWFFDPRAY-INIZCTEOSA-N 2 2 368.547 2.071 10 0 FEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3c3cn[nH]c3)CC2)CC1 ZINC000182537910 547510032 /nfs/dbraw/zinc/51/00/32/547510032.db2.gz SYMYGHGOZIVVLL-IBGZPJMESA-N 2 2 374.533 2.205 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000195255661 548604862 /nfs/dbraw/zinc/60/48/62/548604862.db2.gz RDCVBKUEAJPOLB-INIZCTEOSA-N 2 2 350.532 2.074 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000195255661 548604866 /nfs/dbraw/zinc/60/48/66/548604866.db2.gz RDCVBKUEAJPOLB-INIZCTEOSA-N 2 2 350.532 2.074 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)CC2CC2)C1 ZINC000195255661 548604872 /nfs/dbraw/zinc/60/48/72/548604872.db2.gz RDCVBKUEAJPOLB-INIZCTEOSA-N 2 2 350.532 2.074 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)CC2CC2)C1 ZINC000195255661 548604876 /nfs/dbraw/zinc/60/48/76/548604876.db2.gz RDCVBKUEAJPOLB-INIZCTEOSA-N 2 2 350.532 2.074 10 0 FEAELP Cc1cc(NC(=O)CC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)no1 ZINC000195281984 548610388 /nfs/dbraw/zinc/61/03/88/548610388.db2.gz QUDGIOCYGLIZMX-QGZVFWFLSA-N 2 2 357.458 2.161 10 0 FEAELP Cc1cc(NC(=O)CC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)no1 ZINC000195281984 548610391 /nfs/dbraw/zinc/61/03/91/548610391.db2.gz QUDGIOCYGLIZMX-QGZVFWFLSA-N 2 2 357.458 2.161 10 0 FEAELP Cc1cc(NC(=O)CC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)no1 ZINC000195281984 548610397 /nfs/dbraw/zinc/61/03/97/548610397.db2.gz QUDGIOCYGLIZMX-QGZVFWFLSA-N 2 2 357.458 2.161 10 0 FEAELP Cc1cc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)no1 ZINC000195281984 548610401 /nfs/dbraw/zinc/61/04/01/548610401.db2.gz QUDGIOCYGLIZMX-QGZVFWFLSA-N 2 2 357.458 2.161 10 0 FEAELP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281949 548610761 /nfs/dbraw/zinc/61/07/61/548610761.db2.gz HGSPMGGXOLNSLA-NRFANRHFSA-N 2 2 366.509 2.494 10 0 FEAELP CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281949 548610768 /nfs/dbraw/zinc/61/07/68/548610768.db2.gz HGSPMGGXOLNSLA-NRFANRHFSA-N 2 2 366.509 2.494 10 0 FEAELP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281949 548610772 /nfs/dbraw/zinc/61/07/72/548610772.db2.gz HGSPMGGXOLNSLA-NRFANRHFSA-N 2 2 366.509 2.494 10 0 FEAELP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281949 548610776 /nfs/dbraw/zinc/61/07/76/548610776.db2.gz HGSPMGGXOLNSLA-NRFANRHFSA-N 2 2 366.509 2.494 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288184 548613834 /nfs/dbraw/zinc/61/38/34/548613834.db2.gz IKILUSXZGJJSFH-SFHVURJKSA-N 2 2 363.465 2.043 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288184 548613838 /nfs/dbraw/zinc/61/38/38/548613838.db2.gz IKILUSXZGJJSFH-SFHVURJKSA-N 2 2 363.465 2.043 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288184 548613840 /nfs/dbraw/zinc/61/38/40/548613840.db2.gz IKILUSXZGJJSFH-SFHVURJKSA-N 2 2 363.465 2.043 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000195288184 548613845 /nfs/dbraw/zinc/61/38/45/548613845.db2.gz IKILUSXZGJJSFH-SFHVURJKSA-N 2 2 363.465 2.043 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245755397 548989506 /nfs/dbraw/zinc/98/95/06/548989506.db2.gz HLHAYWFFSOQDRA-XYPHTWIQSA-N 2 2 352.429 2.056 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245755397 548989510 /nfs/dbraw/zinc/98/95/10/548989510.db2.gz HLHAYWFFSOQDRA-XYPHTWIQSA-N 2 2 352.429 2.056 10 0 FEAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765954 548992654 /nfs/dbraw/zinc/99/26/54/548992654.db2.gz JJGGPZXPBOCRHI-FHLIZLRMSA-N 2 2 364.440 2.200 10 0 FEAELP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765954 548992659 /nfs/dbraw/zinc/99/26/59/548992659.db2.gz JJGGPZXPBOCRHI-FHLIZLRMSA-N 2 2 364.440 2.200 10 0 FEAELP C[NH+]1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765954 548992663 /nfs/dbraw/zinc/99/26/63/548992663.db2.gz JJGGPZXPBOCRHI-FHLIZLRMSA-N 2 2 364.440 2.200 10 0 FEAELP C[NH+]1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765954 548992668 /nfs/dbraw/zinc/99/26/68/548992668.db2.gz JJGGPZXPBOCRHI-FHLIZLRMSA-N 2 2 364.440 2.200 10 0 FEAELP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000246439873 549134095 /nfs/dbraw/zinc/13/40/95/549134095.db2.gz NGLCUYUGDNSTBG-WMZOPIPTSA-N 2 2 358.486 2.219 10 0 FEAELP C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000246439873 549134100 /nfs/dbraw/zinc/13/41/00/549134100.db2.gz NGLCUYUGDNSTBG-WMZOPIPTSA-N 2 2 358.486 2.219 10 0 FEAELP C[NH+](C)C[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c2)C1 ZINC000246456210 549137136 /nfs/dbraw/zinc/13/71/36/549137136.db2.gz YFGUFBCUYNIOBA-VXKWHMMOSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c2)C1 ZINC000246456210 549137137 /nfs/dbraw/zinc/13/71/37/549137137.db2.gz YFGUFBCUYNIOBA-VXKWHMMOSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1c(F)cccc1F ZINC000247149311 549291989 /nfs/dbraw/zinc/29/19/89/549291989.db2.gz IHXKPRVCHOMAMP-WMLDXEAASA-N 2 2 366.456 2.447 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1c(F)cccc1F ZINC000247149311 549291992 /nfs/dbraw/zinc/29/19/92/549291992.db2.gz IHXKPRVCHOMAMP-WMLDXEAASA-N 2 2 366.456 2.447 10 0 FEAELP CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCC[NH2+]C1 ZINC000261861150 549763475 /nfs/dbraw/zinc/76/34/75/549763475.db2.gz UIVVCJCYZNNOJS-CYBMUJFWSA-N 2 2 374.348 2.448 10 0 FEAELP CC(=O)NCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCC[NH2+]C1 ZINC000261861150 549763477 /nfs/dbraw/zinc/76/34/77/549763477.db2.gz UIVVCJCYZNNOJS-CYBMUJFWSA-N 2 2 374.348 2.448 10 0 FEAELP COc1ccc2oc(C[NH2+][C@@H]3CCC(=O)N[C@H]3c3c[nH+]cn3C)cc2c1 ZINC000284411802 551543491 /nfs/dbraw/zinc/54/34/91/551543491.db2.gz CCILAJHMHGSEBY-DNVCBOLYSA-N 2 2 354.410 2.284 10 0 FEAELP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000284755295 551625404 /nfs/dbraw/zinc/62/54/04/551625404.db2.gz DLAZAYRZULRMIR-ZIAGYGMSSA-N 2 2 352.360 2.336 10 0 FEAELP O=C(NCc1[nH]cc[nH+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000284755295 551625406 /nfs/dbraw/zinc/62/54/06/551625406.db2.gz DLAZAYRZULRMIR-ZIAGYGMSSA-N 2 2 352.360 2.336 10 0 FEAELP CCn1cc[nH+]c1CN(Cc1cnc2ncccn12)[C@@H]1CC12CC[NH2+]CC2 ZINC000583623216 570809722 /nfs/dbraw/zinc/80/97/22/570809722.db2.gz VJEPRRSSMSZXRP-QGZVFWFLSA-N 2 2 365.485 2.090 10 0 FEAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000048828826 540374719 /nfs/dbraw/zinc/37/47/19/540374719.db2.gz RJKYMFCDFXGHKP-KRWDZBQOSA-N 2 2 362.518 2.047 10 0 FEAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000048828826 540374722 /nfs/dbraw/zinc/37/47/22/540374722.db2.gz RJKYMFCDFXGHKP-KRWDZBQOSA-N 2 2 362.518 2.047 10 0 FEAELP CN(C)C(=O)COc1ccccc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812728 542888025 /nfs/dbraw/zinc/88/80/25/542888025.db2.gz SZWZDQUUKZSFOG-KRWDZBQOSA-N 2 2 368.481 2.483 10 0 FEAELP CN(C)C(=O)COc1ccccc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000092812728 542888027 /nfs/dbraw/zinc/88/80/27/542888027.db2.gz SZWZDQUUKZSFOG-KRWDZBQOSA-N 2 2 368.481 2.483 10 0 FEAELP CCOCCN1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1C ZINC000106110693 543200239 /nfs/dbraw/zinc/20/02/39/543200239.db2.gz CMLRGUDZIKRRDX-OALUTQOASA-N 2 2 374.529 2.057 10 0 FEAELP CCOCCN1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@@H]1C ZINC000106110693 543200241 /nfs/dbraw/zinc/20/02/41/543200241.db2.gz CMLRGUDZIKRRDX-OALUTQOASA-N 2 2 374.529 2.057 10 0 FEAELP CCOc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000122606997 543713343 /nfs/dbraw/zinc/71/33/43/543713343.db2.gz BWAIGERUIJOOKF-NRFANRHFSA-N 2 2 361.530 2.312 10 0 FEAELP CCOc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000122606997 543713346 /nfs/dbraw/zinc/71/33/46/543713346.db2.gz BWAIGERUIJOOKF-NRFANRHFSA-N 2 2 361.530 2.312 10 0 FEAELP COc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1OC ZINC000121216682 326322390 /nfs/dbraw/zinc/32/23/90/326322390.db2.gz HHHCQBRRHWHYEW-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP COc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1OC ZINC000121216682 326322392 /nfs/dbraw/zinc/32/23/92/326322392.db2.gz HHHCQBRRHWHYEW-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP CC(=O)Nc1ccccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121233562 326323759 /nfs/dbraw/zinc/32/37/59/326323759.db2.gz VWIUTRGBJDHWQE-UHFFFAOYSA-N 2 2 355.486 2.438 10 0 FEAELP CC(=O)Nc1ccccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121233562 326323760 /nfs/dbraw/zinc/32/37/60/326323760.db2.gz VWIUTRGBJDHWQE-UHFFFAOYSA-N 2 2 355.486 2.438 10 0 FEAELP C[C@@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+]1CCOCC1 ZINC000121631585 326353722 /nfs/dbraw/zinc/35/37/22/326353722.db2.gz YMSIVLBBINGCQV-VIQWUECVSA-N 2 2 366.550 2.049 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171304394 327130814 /nfs/dbraw/zinc/13/08/14/327130814.db2.gz OSKQQQKYHXSUGO-HNNXBMFYSA-N 2 2 353.536 2.091 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171304394 327130815 /nfs/dbraw/zinc/13/08/15/327130815.db2.gz OSKQQQKYHXSUGO-HNNXBMFYSA-N 2 2 353.536 2.091 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647327 327151247 /nfs/dbraw/zinc/15/12/47/327151247.db2.gz QHFBWLKXOVCITP-MRXNPFEDSA-N 2 2 367.453 2.413 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647327 327151248 /nfs/dbraw/zinc/15/12/48/327151248.db2.gz QHFBWLKXOVCITP-MRXNPFEDSA-N 2 2 367.453 2.413 10 0 FEAELP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171651442 327151695 /nfs/dbraw/zinc/15/16/95/327151695.db2.gz QIWZAISLXSFOPZ-SFHVURJKSA-N 2 2 368.481 2.449 10 0 FEAELP COc1cccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171651442 327151696 /nfs/dbraw/zinc/15/16/96/327151696.db2.gz QIWZAISLXSFOPZ-SFHVURJKSA-N 2 2 368.481 2.449 10 0 FEAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)nc[nH+]1 ZINC000173436688 327256927 /nfs/dbraw/zinc/25/69/27/327256927.db2.gz SRJKBGBOONKAPJ-QFBILLFUSA-N 2 2 374.533 2.114 10 0 FEAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[nH+]cn1 ZINC000173436688 327256928 /nfs/dbraw/zinc/25/69/28/327256928.db2.gz SRJKBGBOONKAPJ-QFBILLFUSA-N 2 2 374.533 2.114 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)s1 ZINC000176565729 327463788 /nfs/dbraw/zinc/46/37/88/327463788.db2.gz UFJULOKSLLKGKR-HZPDHXFCSA-N 2 2 365.547 2.152 10 0 FEAELP COc1cccc([C@@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)[NH+](C)C)c1 ZINC000177353994 327516143 /nfs/dbraw/zinc/51/61/43/327516143.db2.gz QAXOMTLEWLZLNZ-IEBWSBKVSA-N 2 2 371.485 2.369 10 0 FEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261999780 328834364 /nfs/dbraw/zinc/83/43/64/328834364.db2.gz UJHAVTKWLJBMMD-RCOXNQKVSA-N 3 2 358.530 2.354 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(OC)cc(OC)c2)nc[nH+]1 ZINC000109070246 517980391 /nfs/dbraw/zinc/98/03/91/517980391.db2.gz FRIDNXFJZUPEIJ-HNNXBMFYSA-N 2 2 357.458 2.294 10 0 FEAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000175923083 546372053 /nfs/dbraw/zinc/37/20/53/546372053.db2.gz XXXHVMSUUDZJPW-SFHVURJKSA-N 2 2 353.470 2.115 10 0 FEAELP O=C(NCc1[nH+]ccn1CCc1ccccc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000175923083 546372057 /nfs/dbraw/zinc/37/20/57/546372057.db2.gz XXXHVMSUUDZJPW-SFHVURJKSA-N 2 2 353.470 2.115 10 0 FEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000177146268 546554931 /nfs/dbraw/zinc/55/49/31/546554931.db2.gz ZYQDCEYZQGXCFU-HZPDHXFCSA-N 2 2 351.441 2.211 10 0 FEAELP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178751514 546842657 /nfs/dbraw/zinc/84/26/57/546842657.db2.gz CEPHYFLJIXOXFE-GOSISDBHSA-N 2 2 370.453 2.471 10 0 FEAELP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178751514 546842664 /nfs/dbraw/zinc/84/26/64/546842664.db2.gz CEPHYFLJIXOXFE-GOSISDBHSA-N 2 2 370.453 2.471 10 0 FEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000245429568 548917419 /nfs/dbraw/zinc/91/74/19/548917419.db2.gz YRPRHPHJXHERSD-WOJBJXKFSA-N 2 2 374.529 2.186 10 0 FEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000245429568 548917422 /nfs/dbraw/zinc/91/74/22/548917422.db2.gz YRPRHPHJXHERSD-WOJBJXKFSA-N 2 2 374.529 2.186 10 0 FEAELP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000246452315 549136179 /nfs/dbraw/zinc/13/61/79/549136179.db2.gz FLKGTIICIVBFNH-WIYYLYMNSA-N 2 2 361.530 2.483 10 0 FEAELP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000246452315 549136184 /nfs/dbraw/zinc/13/61/84/549136184.db2.gz FLKGTIICIVBFNH-WIYYLYMNSA-N 2 2 361.530 2.483 10 0 FEAELP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000246491632 549145165 /nfs/dbraw/zinc/14/51/65/549145165.db2.gz SLDMGCILWWBPQY-PXNSSMCTSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000246491632 549145169 /nfs/dbraw/zinc/14/51/69/549145169.db2.gz SLDMGCILWWBPQY-PXNSSMCTSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)C1 ZINC000246491632 549145173 /nfs/dbraw/zinc/14/51/73/549145173.db2.gz SLDMGCILWWBPQY-PXNSSMCTSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC000246491632 549145179 /nfs/dbraw/zinc/14/51/79/549145179.db2.gz SLDMGCILWWBPQY-PXNSSMCTSA-N 2 2 374.529 2.048 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000246534628 549156143 /nfs/dbraw/zinc/15/61/43/549156143.db2.gz YADYWVXSVZCRCD-ROUUACIJSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000246534628 549156144 /nfs/dbraw/zinc/15/61/44/549156144.db2.gz YADYWVXSVZCRCD-ROUUACIJSA-N 2 2 357.502 2.450 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000247076559 549278964 /nfs/dbraw/zinc/27/89/64/549278964.db2.gz JARCEMBVCPBRHE-NVXWUHKLSA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000247076559 549278969 /nfs/dbraw/zinc/27/89/69/549278969.db2.gz JARCEMBVCPBRHE-NVXWUHKLSA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000247076559 549278973 /nfs/dbraw/zinc/27/89/73/549278973.db2.gz JARCEMBVCPBRHE-NVXWUHKLSA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000247076559 549278977 /nfs/dbraw/zinc/27/89/77/549278977.db2.gz JARCEMBVCPBRHE-NVXWUHKLSA-N 2 2 365.547 2.089 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000247128886 549289023 /nfs/dbraw/zinc/28/90/23/549289023.db2.gz OKNUTHRSXPGJIK-AZUAARDMSA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000247128886 549289027 /nfs/dbraw/zinc/28/90/27/549289027.db2.gz OKNUTHRSXPGJIK-AZUAARDMSA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000247128886 549289030 /nfs/dbraw/zinc/28/90/30/549289030.db2.gz OKNUTHRSXPGJIK-AZUAARDMSA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000247128886 549289035 /nfs/dbraw/zinc/28/90/35/549289035.db2.gz OKNUTHRSXPGJIK-AZUAARDMSA-N 2 2 359.514 2.220 10 0 FEAELP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCC[C@H]2CO)nc[nH+]1 ZINC000248665910 549480510 /nfs/dbraw/zinc/48/05/10/549480510.db2.gz MOWZGJSTSCHTSB-INIZCTEOSA-N 2 2 358.490 2.113 10 0 FEAELP CCCn1cc[nH+]c1CCCN(C)c1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000248665910 549480513 /nfs/dbraw/zinc/48/05/13/549480513.db2.gz MOWZGJSTSCHTSB-INIZCTEOSA-N 2 2 358.490 2.113 10 0 FEAELP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249007618 549539750 /nfs/dbraw/zinc/53/97/50/549539750.db2.gz UWVSFKKZQNGWJG-DANNLKNASA-N 2 2 357.832 2.431 10 0 FEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249007618 549539754 /nfs/dbraw/zinc/53/97/54/549539754.db2.gz UWVSFKKZQNGWJG-DANNLKNASA-N 2 2 357.832 2.431 10 0 FEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)no1 ZINC000261715927 549746853 /nfs/dbraw/zinc/74/68/53/549746853.db2.gz KTTPRESOOUXTAI-LBPRGKRZSA-N 2 2 358.377 2.097 10 0 FEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)no1 ZINC000261715927 549746854 /nfs/dbraw/zinc/74/68/54/549746854.db2.gz KTTPRESOOUXTAI-LBPRGKRZSA-N 2 2 358.377 2.097 10 0 FEAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261768233 549753534 /nfs/dbraw/zinc/75/35/34/549753534.db2.gz VPBSPINWTZGUNO-IACUBPJLSA-N 2 2 352.276 2.365 10 0 FEAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261768233 549753537 /nfs/dbraw/zinc/75/35/37/549753537.db2.gz VPBSPINWTZGUNO-IACUBPJLSA-N 2 2 352.276 2.365 10 0 FEAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130013 543205442 /nfs/dbraw/zinc/20/54/42/543205442.db2.gz VCNBVIPYEVGTQF-QZTJIDSGSA-N 2 2 361.534 2.069 10 0 FEAELP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130013 543205444 /nfs/dbraw/zinc/20/54/44/543205444.db2.gz VCNBVIPYEVGTQF-QZTJIDSGSA-N 2 2 361.534 2.069 10 0 FEAELP C[C@H](C1CC1)N(C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC000106128752 543205773 /nfs/dbraw/zinc/20/57/73/543205773.db2.gz CRWHMMAPHISZIO-QGZVFWFLSA-N 2 2 373.545 2.069 10 0 FEAELP C[C@H](C1CC1)N(C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC000106128752 543205778 /nfs/dbraw/zinc/20/57/78/543205778.db2.gz CRWHMMAPHISZIO-QGZVFWFLSA-N 2 2 373.545 2.069 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)s1 ZINC000110941140 543374568 /nfs/dbraw/zinc/37/45/68/543374568.db2.gz YUNAUIGNOYTDIS-UHFFFAOYSA-N 2 2 358.511 2.471 10 0 FEAELP c1nc(N2CCOCC2)sc1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000128242790 544040875 /nfs/dbraw/zinc/04/08/75/544040875.db2.gz DWTJOVAHZLAHGF-HNNXBMFYSA-N 2 2 359.499 2.309 10 0 FEAELP c1nc(N2CCOCC2)sc1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000128242790 544040878 /nfs/dbraw/zinc/04/08/78/544040878.db2.gz DWTJOVAHZLAHGF-HNNXBMFYSA-N 2 2 359.499 2.309 10 0 FEAELP CCCCOC[C@@H](O)C[NH+]1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000193364533 328370867 /nfs/dbraw/zinc/37/08/67/328370867.db2.gz LTMYUIZBRDJSRZ-KRWDZBQOSA-N 2 2 350.507 2.208 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OCCOC)cc2)nc[nH+]1 ZINC000107317871 325624521 /nfs/dbraw/zinc/62/45/21/325624521.db2.gz CYYOCPGAWKBDRQ-QGZVFWFLSA-N 2 2 371.485 2.302 10 0 FEAELP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000120841503 326292544 /nfs/dbraw/zinc/29/25/44/326292544.db2.gz OVWXXJJEEACGEJ-HXUWFJFHSA-N 2 2 353.514 2.474 10 0 FEAELP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000120841503 326292546 /nfs/dbraw/zinc/29/25/46/326292546.db2.gz OVWXXJJEEACGEJ-HXUWFJFHSA-N 2 2 353.514 2.474 10 0 FEAELP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000120841503 326292548 /nfs/dbraw/zinc/29/25/48/326292548.db2.gz OVWXXJJEEACGEJ-HXUWFJFHSA-N 2 2 353.514 2.474 10 0 FEAELP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000120841503 326292551 /nfs/dbraw/zinc/29/25/51/326292551.db2.gz OVWXXJJEEACGEJ-HXUWFJFHSA-N 2 2 353.514 2.474 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648157 327151558 /nfs/dbraw/zinc/15/15/58/327151558.db2.gz KAXYCXYUPYWBBA-OAHLLOKOSA-N 2 2 370.453 2.471 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648157 327151560 /nfs/dbraw/zinc/15/15/60/327151560.db2.gz KAXYCXYUPYWBBA-OAHLLOKOSA-N 2 2 370.453 2.471 10 0 FEAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173173903 327238920 /nfs/dbraw/zinc/23/89/20/327238920.db2.gz PWVZMORYMCWFBG-QFBILLFUSA-N 2 2 371.485 2.343 10 0 FEAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173173903 327238921 /nfs/dbraw/zinc/23/89/21/327238921.db2.gz PWVZMORYMCWFBG-QFBILLFUSA-N 2 2 371.485 2.343 10 0 FEAELP C[C@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000175010374 327367703 /nfs/dbraw/zinc/36/77/03/327367703.db2.gz FYABSNUKBSQNAY-RTBURBONSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000175010374 327367704 /nfs/dbraw/zinc/36/77/04/327367704.db2.gz FYABSNUKBSQNAY-RTBURBONSA-N 2 2 374.529 2.013 10 0 FEAELP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000175363938 327389062 /nfs/dbraw/zinc/38/90/62/327389062.db2.gz UMUNJGBQZOIAEA-KRWDZBQOSA-N 2 2 365.547 2.153 10 0 FEAELP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000175363938 327389064 /nfs/dbraw/zinc/38/90/64/327389064.db2.gz UMUNJGBQZOIAEA-KRWDZBQOSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000175363938 327389065 /nfs/dbraw/zinc/38/90/65/327389065.db2.gz UMUNJGBQZOIAEA-KRWDZBQOSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000175363938 327389066 /nfs/dbraw/zinc/38/90/66/327389066.db2.gz UMUNJGBQZOIAEA-KRWDZBQOSA-N 2 2 365.547 2.153 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000177353603 327515980 /nfs/dbraw/zinc/51/59/80/327515980.db2.gz DETBEXIBSUSBBY-QZTJIDSGSA-N 2 2 359.449 2.499 10 0 FEAELP CC[NH+](CC)CCNC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000178425972 327584478 /nfs/dbraw/zinc/58/44/78/327584478.db2.gz TZGLLKBDAGSCAH-MRXNPFEDSA-N 2 2 368.547 2.105 10 0 FEAELP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1C ZINC000262744142 328886085 /nfs/dbraw/zinc/88/60/85/328886085.db2.gz JSPKEOUHPFPCEK-HNNXBMFYSA-N 2 2 357.458 2.100 10 0 FEAELP O=C(C[NH+]1CCC(c2[nH+]ccn2CC2CCC2)CC1)NC[C@@H]1CCCO1 ZINC000091468344 526730574 /nfs/dbraw/zinc/73/05/74/526730574.db2.gz VGSQUJADRFVLHZ-SFHVURJKSA-N 2 2 360.502 2.158 10 0 FEAELP C[NH+](C)[C@H]1CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000175926970 546373831 /nfs/dbraw/zinc/37/38/31/546373831.db2.gz GFKBWLVPMFKYDY-SFHVURJKSA-N 2 2 355.486 2.361 10 0 FEAELP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000180493749 547119111 /nfs/dbraw/zinc/11/91/11/547119111.db2.gz LBHPERTWEPGDGF-HNNXBMFYSA-N 2 2 354.491 2.112 10 0 FEAELP CC[N@H+]1CCC[C@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000180493749 547119113 /nfs/dbraw/zinc/11/91/13/547119113.db2.gz LBHPERTWEPGDGF-HNNXBMFYSA-N 2 2 354.491 2.112 10 0 FEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000184197347 547785668 /nfs/dbraw/zinc/78/56/68/547785668.db2.gz ROARZGITGCCYFW-ZWKOTPCHSA-N 2 2 351.466 2.046 10 0 FEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000184197347 547785670 /nfs/dbraw/zinc/78/56/70/547785670.db2.gz ROARZGITGCCYFW-ZWKOTPCHSA-N 2 2 351.466 2.046 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCCCC2)C1 ZINC000195250619 548603751 /nfs/dbraw/zinc/60/37/51/548603751.db2.gz AVLICXXAIAYECK-INIZCTEOSA-N 2 2 350.532 2.218 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCCCC2)C1 ZINC000195250619 548603757 /nfs/dbraw/zinc/60/37/57/548603757.db2.gz AVLICXXAIAYECK-INIZCTEOSA-N 2 2 350.532 2.218 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000195250619 548603762 /nfs/dbraw/zinc/60/37/62/548603762.db2.gz AVLICXXAIAYECK-INIZCTEOSA-N 2 2 350.532 2.218 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000195250619 548603767 /nfs/dbraw/zinc/60/37/67/548603767.db2.gz AVLICXXAIAYECK-INIZCTEOSA-N 2 2 350.532 2.218 10 0 FEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000245416808 548913074 /nfs/dbraw/zinc/91/30/74/548913074.db2.gz IZSOYJSPJTYHCF-WOJBJXKFSA-N 2 2 374.529 2.186 10 0 FEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000245416808 548913077 /nfs/dbraw/zinc/91/30/77/548913077.db2.gz IZSOYJSPJTYHCF-WOJBJXKFSA-N 2 2 374.529 2.186 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245755392 548989585 /nfs/dbraw/zinc/98/95/85/548989585.db2.gz HLHAYWFFSOQDRA-XOKHGSTOSA-N 2 2 352.429 2.056 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245755392 548989589 /nfs/dbraw/zinc/98/95/89/548989589.db2.gz HLHAYWFFSOQDRA-XOKHGSTOSA-N 2 2 352.429 2.056 10 0 FEAELP CCC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000245912377 549017110 /nfs/dbraw/zinc/01/71/10/549017110.db2.gz MRHDISGAWUQNCR-PMACEKPBSA-N 2 2 361.530 2.119 10 0 FEAELP CCC[C@H]1CN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC[N@H+]1CCOC ZINC000245912377 549017112 /nfs/dbraw/zinc/01/71/12/549017112.db2.gz MRHDISGAWUQNCR-PMACEKPBSA-N 2 2 361.530 2.119 10 0 FEAELP COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247119039 549286054 /nfs/dbraw/zinc/28/60/54/549286054.db2.gz RQYAMNLINKKXIB-RBUKOAKNSA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247119039 549286061 /nfs/dbraw/zinc/28/60/61/549286061.db2.gz RQYAMNLINKKXIB-RBUKOAKNSA-N 2 2 359.470 2.242 10 0 FEAELP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000248376076 549423968 /nfs/dbraw/zinc/42/39/68/549423968.db2.gz ZBWMRYYVTCLXDI-DOTOQJQBSA-N 2 2 368.518 2.357 10 0 FEAELP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000248376076 549423970 /nfs/dbraw/zinc/42/39/70/549423970.db2.gz ZBWMRYYVTCLXDI-DOTOQJQBSA-N 2 2 368.518 2.357 10 0 FEAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000249717467 549618344 /nfs/dbraw/zinc/61/83/44/549618344.db2.gz JRJWHPNKBJHBEA-OALUTQOASA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000249717467 549618346 /nfs/dbraw/zinc/61/83/46/549618346.db2.gz JRJWHPNKBJHBEA-OALUTQOASA-N 2 2 359.514 2.139 10 0 FEAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000261640557 549738207 /nfs/dbraw/zinc/73/82/07/549738207.db2.gz FOYDBXZJMYKYFF-AEFFLSMTSA-N 2 2 352.438 2.009 10 0 FEAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000261640557 549738212 /nfs/dbraw/zinc/73/82/12/549738212.db2.gz FOYDBXZJMYKYFF-AEFFLSMTSA-N 2 2 352.438 2.009 10 0 FEAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2nc3c(s2)CCC3)C[C@H]1c1ccccc1 ZINC000261699137 549744157 /nfs/dbraw/zinc/74/41/57/549744157.db2.gz JNNDIACCCIMZMQ-CABCVRRESA-N 2 2 356.495 2.245 10 0 FEAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2nc3c(s2)CCC3)C[C@H]1c1ccccc1 ZINC000261699137 549744159 /nfs/dbraw/zinc/74/41/59/549744159.db2.gz JNNDIACCCIMZMQ-CABCVRRESA-N 2 2 356.495 2.245 10 0 FEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3F)C[C@H]12 ZINC000261755417 549751594 /nfs/dbraw/zinc/75/15/94/549751594.db2.gz UHAZMOUTKPGSPY-XHVZSJERSA-N 2 2 356.239 2.196 10 0 FEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3F)C[C@H]12 ZINC000261755417 549751599 /nfs/dbraw/zinc/75/15/99/549751599.db2.gz UHAZMOUTKPGSPY-XHVZSJERSA-N 2 2 356.239 2.196 10 0 FEAELP Cn1cc[nH+]c1CN(Cc1nnsc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000576697142 571212378 /nfs/dbraw/zinc/21/23/78/571212378.db2.gz CVLJUGYUOTURSX-GFCCVEGCSA-N 2 2 352.895 2.069 10 0 FEAELP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000028398242 539831457 /nfs/dbraw/zinc/83/14/57/539831457.db2.gz GFNIUWMBTBWHOD-GOSISDBHSA-N 2 2 374.529 2.192 10 0 FEAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067734960 541506245 /nfs/dbraw/zinc/50/62/45/541506245.db2.gz GTNSCJFKHBHHKA-ICSRJNTNSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067734960 541506249 /nfs/dbraw/zinc/50/62/49/541506249.db2.gz GTNSCJFKHBHHKA-ICSRJNTNSA-N 2 2 374.529 2.061 10 0 FEAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105010204 543154342 /nfs/dbraw/zinc/15/43/42/543154342.db2.gz LCLVAMGFHHYAAO-GOSISDBHSA-N 2 2 358.486 2.221 10 0 FEAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105010204 543154343 /nfs/dbraw/zinc/15/43/43/543154343.db2.gz LCLVAMGFHHYAAO-GOSISDBHSA-N 2 2 358.486 2.221 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(=O)c2ccc(OC)cc2)C1 ZINC000106215983 543219434 /nfs/dbraw/zinc/21/94/34/543219434.db2.gz PRGLWBXMVGSFGV-INIZCTEOSA-N 2 2 370.453 2.048 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(=O)c2ccc(OC)cc2)C1 ZINC000106215983 543219436 /nfs/dbraw/zinc/21/94/36/543219436.db2.gz PRGLWBXMVGSFGV-INIZCTEOSA-N 2 2 370.453 2.048 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000106216364 543219805 /nfs/dbraw/zinc/21/98/05/543219805.db2.gz UNMPZICDKVFSNH-MRXNPFEDSA-N 2 2 370.453 2.492 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000106216364 543219808 /nfs/dbraw/zinc/21/98/08/543219808.db2.gz UNMPZICDKVFSNH-MRXNPFEDSA-N 2 2 370.453 2.492 10 0 FEAELP COC(=O)CCCc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111213096 543385071 /nfs/dbraw/zinc/38/50/71/543385071.db2.gz MTNRPKBXOGRHSW-HNNXBMFYSA-N 2 2 373.457 2.203 10 0 FEAELP COC(=O)CCCc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111213096 543385074 /nfs/dbraw/zinc/38/50/74/543385074.db2.gz MTNRPKBXOGRHSW-HNNXBMFYSA-N 2 2 373.457 2.203 10 0 FEAELP C[C@@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000113590892 543491651 /nfs/dbraw/zinc/49/16/51/543491651.db2.gz CORGODLRKJFFGT-SFHVURJKSA-N 2 2 374.529 2.013 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456716 543517174 /nfs/dbraw/zinc/51/71/74/543517174.db2.gz ZTORERDGHSCRMG-GOSISDBHSA-N 3 2 361.534 2.071 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456716 543517175 /nfs/dbraw/zinc/51/71/75/543517175.db2.gz ZTORERDGHSCRMG-GOSISDBHSA-N 3 2 361.534 2.071 10 0 FEAELP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000114480217 543520212 /nfs/dbraw/zinc/52/02/12/543520212.db2.gz RAKZUVFIFDKERL-BGYRXZFFSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000114480217 543520214 /nfs/dbraw/zinc/52/02/14/543520214.db2.gz RAKZUVFIFDKERL-BGYRXZFFSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000114480217 543520216 /nfs/dbraw/zinc/52/02/16/543520216.db2.gz RAKZUVFIFDKERL-BGYRXZFFSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000114480217 543520218 /nfs/dbraw/zinc/52/02/18/543520218.db2.gz RAKZUVFIFDKERL-BGYRXZFFSA-N 4 2 358.574 2.454 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000190601855 328218963 /nfs/dbraw/zinc/21/89/63/328218963.db2.gz SVMLPCDRXFRAGX-SFHVURJKSA-N 2 2 363.465 2.252 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)Cc2cn3ccccc3[nH+]2)C1 ZINC000190601855 328218964 /nfs/dbraw/zinc/21/89/64/328218964.db2.gz SVMLPCDRXFRAGX-SFHVURJKSA-N 2 2 363.465 2.252 10 0 FEAELP CCN(C)c1ccc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cn1 ZINC000190971544 328242971 /nfs/dbraw/zinc/24/29/71/328242971.db2.gz RXHGCTOSJPPYBK-MRXNPFEDSA-N 2 2 355.490 2.128 10 0 FEAELP COc1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C)nn1C ZINC000192356997 328314896 /nfs/dbraw/zinc/31/48/96/328314896.db2.gz NLPJLGPLYLEXIE-GOSISDBHSA-N 2 2 358.486 2.118 10 0 FEAELP COc1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C)nn1C ZINC000192356997 328314898 /nfs/dbraw/zinc/31/48/98/328314898.db2.gz NLPJLGPLYLEXIE-GOSISDBHSA-N 2 2 358.486 2.118 10 0 FEAELP CCn1ncnc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000193336912 328369488 /nfs/dbraw/zinc/36/94/88/328369488.db2.gz COOIRNJRNBXVAR-LJQANCHMSA-N 2 2 357.502 2.175 10 0 FEAELP CCn1ncnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000193336912 328369490 /nfs/dbraw/zinc/36/94/90/328369490.db2.gz COOIRNJRNBXVAR-LJQANCHMSA-N 2 2 357.502 2.175 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000089941132 325344011 /nfs/dbraw/zinc/34/40/11/325344011.db2.gz GRYXRAZLIWNTOO-ZDUSSCGKSA-N 2 2 371.485 2.236 10 0 FEAELP CC[C@@H](O)C[NH+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112636693 325795681 /nfs/dbraw/zinc/79/56/81/325795681.db2.gz JMRDCWQAVDFJKU-QGZVFWFLSA-N 2 2 355.438 2.403 10 0 FEAELP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)o1 ZINC000120946623 326300962 /nfs/dbraw/zinc/30/09/62/326300962.db2.gz UIEGQKIBOCDHGW-IBGZPJMESA-N 2 2 366.465 2.487 10 0 FEAELP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)o1 ZINC000120946623 326300964 /nfs/dbraw/zinc/30/09/64/326300964.db2.gz UIEGQKIBOCDHGW-IBGZPJMESA-N 2 2 366.465 2.487 10 0 FEAELP CCOC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121234450 326323817 /nfs/dbraw/zinc/32/38/17/326323817.db2.gz DXQUFXGRJYHENE-UHFFFAOYSA-N 2 2 360.458 2.249 10 0 FEAELP CCOC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121234450 326323818 /nfs/dbraw/zinc/32/38/18/326323818.db2.gz DXQUFXGRJYHENE-UHFFFAOYSA-N 2 2 360.458 2.249 10 0 FEAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)nc[nH+]1 ZINC000173436719 327256863 /nfs/dbraw/zinc/25/68/63/327256863.db2.gz SRJKBGBOONKAPJ-VQIMIIECSA-N 2 2 374.533 2.114 10 0 FEAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[nH+]cn1 ZINC000173436719 327256864 /nfs/dbraw/zinc/25/68/64/327256864.db2.gz SRJKBGBOONKAPJ-VQIMIIECSA-N 2 2 374.533 2.114 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)s1 ZINC000174773874 327349936 /nfs/dbraw/zinc/34/99/36/327349936.db2.gz ABVSRZGMZVTYTP-UHFFFAOYSA-N 2 2 350.532 2.216 10 0 FEAELP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000176860000 327479944 /nfs/dbraw/zinc/47/99/44/327479944.db2.gz MBWLNKKKOSDGCK-INIZCTEOSA-N 2 2 356.470 2.037 10 0 FEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000177136071 327500709 /nfs/dbraw/zinc/50/07/09/327500709.db2.gz BZPLIBAOGWAUDW-UXHICEINSA-N 2 2 359.514 2.297 10 0 FEAELP NC(=O)C1([NH+]2CCCCC2)CC[NH+](CCCC(=O)c2ccc(O)cc2)CC1 ZINC000090623933 526849531 /nfs/dbraw/zinc/84/95/31/526849531.db2.gz FHRPDBXVHGLKSH-UHFFFAOYSA-N 2 2 373.497 2.161 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000156865992 545669977 /nfs/dbraw/zinc/66/99/77/545669977.db2.gz CKDBSUMNTOBNQN-HOJAQTOUSA-N 2 2 374.529 2.088 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000156865992 545669979 /nfs/dbraw/zinc/66/99/79/545669979.db2.gz CKDBSUMNTOBNQN-HOJAQTOUSA-N 2 2 374.529 2.088 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)c2cc1C ZINC000177288062 546587731 /nfs/dbraw/zinc/58/77/31/546587731.db2.gz BCQPVRIWLDVYRT-CZUORRHYSA-N 2 2 357.376 2.013 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@](O)(C(F)(F)F)C3)c2cc1C ZINC000177288062 546587732 /nfs/dbraw/zinc/58/77/32/546587732.db2.gz BCQPVRIWLDVYRT-CZUORRHYSA-N 2 2 357.376 2.013 10 0 FEAELP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178754694 546845130 /nfs/dbraw/zinc/84/51/30/546845130.db2.gz QZGRHPWDBYBNMZ-QGZVFWFLSA-N 2 2 356.426 2.081 10 0 FEAELP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178754694 546845134 /nfs/dbraw/zinc/84/51/34/546845134.db2.gz QZGRHPWDBYBNMZ-QGZVFWFLSA-N 2 2 356.426 2.081 10 0 FEAELP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000180126735 547055838 /nfs/dbraw/zinc/05/58/38/547055838.db2.gz OWYPMDJJMJCQJS-KRWDZBQOSA-N 2 2 359.474 2.233 10 0 FEAELP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000180126735 547055840 /nfs/dbraw/zinc/05/58/40/547055840.db2.gz OWYPMDJJMJCQJS-KRWDZBQOSA-N 2 2 359.474 2.233 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCN(c3nccs3)CC2)nc[nH+]1 ZINC000180575846 547134703 /nfs/dbraw/zinc/13/47/03/547134703.db2.gz VFOJXOFWBBAZFO-OAHLLOKOSA-N 2 2 373.530 2.202 10 0 FEAELP CCc1csc([C@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)C2)n1 ZINC000195382658 548632161 /nfs/dbraw/zinc/63/21/61/548632161.db2.gz NHSXKSWBFHJDEQ-HOTGVXAUSA-N 2 2 364.559 2.438 10 0 FEAELP CCc1csc([C@H]2CCC[N@H+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)C2)n1 ZINC000195382658 548632164 /nfs/dbraw/zinc/63/21/64/548632164.db2.gz NHSXKSWBFHJDEQ-HOTGVXAUSA-N 2 2 364.559 2.438 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000246534620 549156118 /nfs/dbraw/zinc/15/61/18/549156118.db2.gz YADYWVXSVZCRCD-MSOLQXFVSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000246534620 549156121 /nfs/dbraw/zinc/15/61/21/549156121.db2.gz YADYWVXSVZCRCD-MSOLQXFVSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1CCOC ZINC000246994054 549260614 /nfs/dbraw/zinc/26/06/14/549260614.db2.gz GICAFIRVSXCUQW-FXAWDEMLSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+]1CCOC ZINC000246994054 549260617 /nfs/dbraw/zinc/26/06/17/549260617.db2.gz GICAFIRVSXCUQW-FXAWDEMLSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@@H]1CN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1CCOC ZINC000246994054 549260620 /nfs/dbraw/zinc/26/06/20/549260620.db2.gz GICAFIRVSXCUQW-FXAWDEMLSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@@H]1CN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+]1CCOC ZINC000246994054 549260623 /nfs/dbraw/zinc/26/06/23/549260623.db2.gz GICAFIRVSXCUQW-FXAWDEMLSA-N 2 2 359.514 2.002 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000247058437 549274783 /nfs/dbraw/zinc/27/47/83/549274783.db2.gz HEZTWZVHDDQXEU-QRQLOZEOSA-N 2 2 359.539 2.472 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000247058437 549274787 /nfs/dbraw/zinc/27/47/87/549274787.db2.gz HEZTWZVHDDQXEU-QRQLOZEOSA-N 2 2 359.539 2.472 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661234 549479787 /nfs/dbraw/zinc/47/97/87/549479787.db2.gz WXPGGJOSKYVMQU-FGZHOGPDSA-N 2 2 369.509 2.413 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661234 549479790 /nfs/dbraw/zinc/47/97/90/549479790.db2.gz WXPGGJOSKYVMQU-FGZHOGPDSA-N 2 2 369.509 2.413 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661234 549479792 /nfs/dbraw/zinc/47/97/92/549479792.db2.gz WXPGGJOSKYVMQU-FGZHOGPDSA-N 2 2 369.509 2.413 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661234 549479794 /nfs/dbraw/zinc/47/97/94/549479794.db2.gz WXPGGJOSKYVMQU-FGZHOGPDSA-N 2 2 369.509 2.413 10 0 FEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261801171 549756710 /nfs/dbraw/zinc/75/67/10/549756710.db2.gz ACLGRSUVHNTIHN-CVEARBPZSA-N 2 2 357.420 2.460 10 0 FEAELP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261801171 549756713 /nfs/dbraw/zinc/75/67/13/549756713.db2.gz ACLGRSUVHNTIHN-CVEARBPZSA-N 2 2 357.420 2.460 10 0 FEAELP COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000262018862 549780480 /nfs/dbraw/zinc/78/04/80/549780480.db2.gz VXJPAUBEGQQJMP-YJBOKZPZSA-N 2 2 365.905 2.171 10 0 FEAELP Cc1ccc(Nc2cc(N[C@H]3CCCC[C@H]3[NH3+])nnc2C(N)=O)[nH+]c1C ZINC000217036432 570545167 /nfs/dbraw/zinc/54/51/67/570545167.db2.gz XJZVCDVZCRLIKN-OLZOCXBDSA-N 2 2 355.446 2.013 10 0 FEAELP CCn1cc[nH+]c1CN(C(=O)[C@@H]([NH3+])c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000583621388 570810975 /nfs/dbraw/zinc/81/09/75/570810975.db2.gz AFGHQWUQQGVYRY-MJGOQNOKSA-N 3 2 367.497 2.074 10 0 FEAELP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000074850633 542129200 /nfs/dbraw/zinc/12/92/00/542129200.db2.gz MXLYQECHYMEOFC-ICSRJNTNSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000074850633 542129206 /nfs/dbraw/zinc/12/92/06/542129206.db2.gz MXLYQECHYMEOFC-ICSRJNTNSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@]1(CO)CCC[N@H+](Cc2cn(C3CCN(c4cc[nH+]cc4)CC3)nn2)C1 ZINC000023310678 136152630 /nfs/dbraw/zinc/15/26/30/136152630.db2.gz QCESAJYYPARERH-HXUWFJFHSA-N 2 2 370.501 2.109 10 0 FEAELP C[C@@]1(CO)CCC[N@@H+](Cc2cn(C3CCN(c4cc[nH+]cc4)CC3)nn2)C1 ZINC000023310678 136152631 /nfs/dbraw/zinc/15/26/31/136152631.db2.gz QCESAJYYPARERH-HXUWFJFHSA-N 2 2 370.501 2.109 10 0 FEAELP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](Cn3cc(-c4ccccn4)nn3)C2)n1C ZINC000095526335 542980898 /nfs/dbraw/zinc/98/08/98/542980898.db2.gz RYSXGISTTDNIHZ-INIZCTEOSA-N 2 2 351.458 2.294 10 0 FEAELP Cc1[nH+]cc(C[N@H+]2CCC[C@H](Cn3cc(-c4ccccn4)nn3)C2)n1C ZINC000095526335 542980901 /nfs/dbraw/zinc/98/09/01/542980901.db2.gz RYSXGISTTDNIHZ-INIZCTEOSA-N 2 2 351.458 2.294 10 0 FEAELP CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129943 543205405 /nfs/dbraw/zinc/20/54/05/543205405.db2.gz SIABHMWWFFNWQS-GOSISDBHSA-N 2 2 361.534 2.070 10 0 FEAELP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129943 543205408 /nfs/dbraw/zinc/20/54/08/543205408.db2.gz SIABHMWWFFNWQS-GOSISDBHSA-N 2 2 361.534 2.070 10 0 FEAELP COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000114717187 543531873 /nfs/dbraw/zinc/53/18/73/543531873.db2.gz NLJGLTKTGGGQIC-GOSISDBHSA-N 2 2 368.481 2.483 10 0 FEAELP COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000114717187 543531877 /nfs/dbraw/zinc/53/18/77/543531877.db2.gz NLJGLTKTGGGQIC-GOSISDBHSA-N 2 2 368.481 2.483 10 0 FEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000151260587 544522143 /nfs/dbraw/zinc/52/21/43/544522143.db2.gz HNRGWGXWVMKEFQ-DNVCBOLYSA-N 2 2 360.502 2.468 10 0 FEAELP O=C(CCC1CC[NH2+]CC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000236763100 328493574 /nfs/dbraw/zinc/49/35/74/328493574.db2.gz WJVWNGGPVKSDBZ-UHFFFAOYSA-N 2 2 365.275 2.493 10 0 FEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000171589939 327146963 /nfs/dbraw/zinc/14/69/63/327146963.db2.gz VNWHKPXSSXNFHH-UHFFFAOYSA-N 2 2 362.562 2.479 10 0 FEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000171589939 327146964 /nfs/dbraw/zinc/14/69/64/327146964.db2.gz VNWHKPXSSXNFHH-UHFFFAOYSA-N 2 2 362.562 2.479 10 0 FEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000171647294 327151194 /nfs/dbraw/zinc/15/11/94/327151194.db2.gz NOYXCJKKIWZOLW-OAHLLOKOSA-N 2 2 368.437 2.225 10 0 FEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000171647294 327151195 /nfs/dbraw/zinc/15/11/95/327151195.db2.gz NOYXCJKKIWZOLW-OAHLLOKOSA-N 2 2 368.437 2.225 10 0 FEAELP Cc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)nc(-c2ccncc2)[nH+]1 ZINC000171832179 327164382 /nfs/dbraw/zinc/16/43/82/327164382.db2.gz HPVPHYPFIRHZIX-INIZCTEOSA-N 2 2 355.486 2.376 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000173675623 327275659 /nfs/dbraw/zinc/27/56/59/327275659.db2.gz YADYWVXSVZCRCD-ZWKOTPCHSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000173675623 327275660 /nfs/dbraw/zinc/27/56/60/327275660.db2.gz YADYWVXSVZCRCD-ZWKOTPCHSA-N 2 2 357.502 2.450 10 0 FEAELP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173909733 327293743 /nfs/dbraw/zinc/29/37/43/327293743.db2.gz MWPBFLLZNRSPRK-MJGOQNOKSA-N 2 2 374.529 2.232 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)N(C(C)C)C(C)C)nc[nH+]1 ZINC000174288940 327317358 /nfs/dbraw/zinc/31/73/58/327317358.db2.gz WWRCLUKERUYGIT-HOTGVXAUSA-N 2 2 362.522 2.111 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000159157984 545927465 /nfs/dbraw/zinc/92/74/65/545927465.db2.gz IORVKENOZNOWKK-MOPGFXCFSA-N 2 2 355.486 2.356 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000159157984 545927468 /nfs/dbraw/zinc/92/74/68/545927468.db2.gz IORVKENOZNOWKK-MOPGFXCFSA-N 2 2 355.486 2.356 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CC(=O)N2CCCCCC2)nc[nH+]1 ZINC000180564877 547131532 /nfs/dbraw/zinc/13/15/32/547131532.db2.gz RQOPDNZIWUATBH-SJORKVTESA-N 2 2 374.533 2.258 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000183060733 547594191 /nfs/dbraw/zinc/59/41/91/547594191.db2.gz HQFBQTPHXAOAFV-SFHVURJKSA-N 2 2 351.458 2.317 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000183060733 547594196 /nfs/dbraw/zinc/59/41/96/547594196.db2.gz HQFBQTPHXAOAFV-SFHVURJKSA-N 2 2 351.458 2.317 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COCc2ccco2)C1 ZINC000195278044 548611027 /nfs/dbraw/zinc/61/10/27/548611027.db2.gz CCJSIZWDUDHOJW-MOPGFXCFSA-N 2 2 359.470 2.006 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COCc2ccco2)C1 ZINC000195278044 548611029 /nfs/dbraw/zinc/61/10/29/548611029.db2.gz CCJSIZWDUDHOJW-MOPGFXCFSA-N 2 2 359.470 2.006 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC000195278044 548611035 /nfs/dbraw/zinc/61/10/35/548611035.db2.gz CCJSIZWDUDHOJW-MOPGFXCFSA-N 2 2 359.470 2.006 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC000195278044 548611040 /nfs/dbraw/zinc/61/10/40/548611040.db2.gz CCJSIZWDUDHOJW-MOPGFXCFSA-N 2 2 359.470 2.006 10 0 FEAELP COCCN(C)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000248879821 549519910 /nfs/dbraw/zinc/51/99/10/549519910.db2.gz OXYMFKUXHPYNTI-SFHVURJKSA-N 2 2 355.486 2.493 10 0 FEAELP COCCN(C)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cn1 ZINC000248879821 549519915 /nfs/dbraw/zinc/51/99/15/549519915.db2.gz OXYMFKUXHPYNTI-SFHVURJKSA-N 2 2 355.486 2.493 10 0 FEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000249093380 549549757 /nfs/dbraw/zinc/54/97/57/549549757.db2.gz NVRYLRIXXOOSDR-INIZCTEOSA-N 2 2 362.905 2.188 10 0 FEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000249093380 549549760 /nfs/dbraw/zinc/54/97/60/549549760.db2.gz NVRYLRIXXOOSDR-INIZCTEOSA-N 2 2 362.905 2.188 10 0 FEAELP O=C(NCC[NH+]1CCc2c(Cl)cccc2C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000249093380 549549763 /nfs/dbraw/zinc/54/97/63/549549763.db2.gz NVRYLRIXXOOSDR-INIZCTEOSA-N 2 2 362.905 2.188 10 0 FEAELP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000261841238 549761640 /nfs/dbraw/zinc/76/16/40/549761640.db2.gz AIQSDUOPEXKVDN-AQNXPRMDSA-N 3 2 365.562 2.016 10 0 FEAELP NC(=O)c1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261866638 549763996 /nfs/dbraw/zinc/76/39/96/549763996.db2.gz ZCOMRDUXRMSICC-MRXNPFEDSA-N 2 2 356.495 2.386 10 0 FEAELP NC(=O)c1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000261866638 549763999 /nfs/dbraw/zinc/76/39/99/549763999.db2.gz ZCOMRDUXRMSICC-MRXNPFEDSA-N 2 2 356.495 2.386 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000262737640 549844457 /nfs/dbraw/zinc/84/44/57/549844457.db2.gz CGCFKYZWXMRGHE-GPMSIDNRSA-N 2 2 365.543 2.487 10 0 FEAELP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262998609 549869867 /nfs/dbraw/zinc/86/98/67/549869867.db2.gz OMIUSBWCVMEXOL-SJORKVTESA-N 2 2 351.441 2.354 10 0 FEAELP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262998609 549869870 /nfs/dbraw/zinc/86/98/70/549869870.db2.gz OMIUSBWCVMEXOL-SJORKVTESA-N 2 2 351.441 2.354 10 0 FEAELP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262998607 549869969 /nfs/dbraw/zinc/86/99/69/549869969.db2.gz OMIUSBWCVMEXOL-IAGOWNOFSA-N 2 2 351.441 2.354 10 0 FEAELP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262998607 549869973 /nfs/dbraw/zinc/86/99/73/549869973.db2.gz OMIUSBWCVMEXOL-IAGOWNOFSA-N 2 2 351.441 2.354 10 0 FEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000388277830 558608706 /nfs/dbraw/zinc/60/87/06/558608706.db2.gz POTSAFAPRKJEEG-PXNSSMCTSA-N 2 2 353.466 2.408 10 0 FEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000388277830 558608708 /nfs/dbraw/zinc/60/87/08/558608708.db2.gz POTSAFAPRKJEEG-PXNSSMCTSA-N 2 2 353.466 2.408 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]([NH3+])CC[C@@H]1C(F)(F)F ZINC000583619841 570809010 /nfs/dbraw/zinc/80/90/10/570809010.db2.gz OTZDNXFZHIYOGS-BXUZGUMPSA-N 2 2 354.376 2.479 10 0 FEAELP C[NH+](C)C[C@@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000048216051 540351909 /nfs/dbraw/zinc/35/19/09/540351909.db2.gz MELBUAOBYRMREX-GOSISDBHSA-N 2 2 364.453 2.369 10 0 FEAELP C[NH+](C)CCC[N@H+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000015066784 211116705 /nfs/dbraw/zinc/11/67/05/211116705.db2.gz ZDQAOWYAEPGDBW-INIZCTEOSA-N 2 2 373.950 2.377 10 0 FEAELP C[NH+](C)CCC[N@@H+](C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000015066784 211116710 /nfs/dbraw/zinc/11/67/10/211116710.db2.gz ZDQAOWYAEPGDBW-INIZCTEOSA-N 2 2 373.950 2.377 10 0 FEAELP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000104781083 543143641 /nfs/dbraw/zinc/14/36/41/543143641.db2.gz RDDBPMASRJTGDB-HXUWFJFHSA-N 2 2 374.529 2.048 10 0 FEAELP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000104781083 543143645 /nfs/dbraw/zinc/14/36/45/543143645.db2.gz RDDBPMASRJTGDB-HXUWFJFHSA-N 2 2 374.529 2.048 10 0 FEAELP C[N@H+](CCC(=O)Nc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128629 543205947 /nfs/dbraw/zinc/20/59/47/543205947.db2.gz NLWALCYXGSOSQH-UHFFFAOYSA-N 2 2 355.486 2.308 10 0 FEAELP C[N@@H+](CCC(=O)Nc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128629 543205948 /nfs/dbraw/zinc/20/59/48/543205948.db2.gz NLWALCYXGSOSQH-UHFFFAOYSA-N 2 2 355.486 2.308 10 0 FEAELP CC(C)n1nnnc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127124 543204713 /nfs/dbraw/zinc/20/47/13/543204713.db2.gz ZSUNIRKQHFKEMM-IBGZPJMESA-N 2 2 372.517 2.131 10 0 FEAELP CC(C)n1nnnc1C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106127124 543204714 /nfs/dbraw/zinc/20/47/14/543204714.db2.gz ZSUNIRKQHFKEMM-IBGZPJMESA-N 2 2 372.517 2.131 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000106217435 543219621 /nfs/dbraw/zinc/21/96/21/543219621.db2.gz ZOHLPECCNFDRAW-MRXNPFEDSA-N 2 2 361.490 2.241 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C1 ZINC000106217435 543219623 /nfs/dbraw/zinc/21/96/23/543219623.db2.gz ZOHLPECCNFDRAW-MRXNPFEDSA-N 2 2 361.490 2.241 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1CC ZINC000116769252 543615058 /nfs/dbraw/zinc/61/50/58/543615058.db2.gz ZBIRJONUFVHEAE-VQTJNVASSA-N 2 2 361.530 2.119 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000150905493 544485513 /nfs/dbraw/zinc/48/55/13/544485513.db2.gz QUBYSDRMYFMBCT-HNNXBMFYSA-N 2 2 357.458 2.272 10 0 FEAELP COCC[N@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000150905493 544485518 /nfs/dbraw/zinc/48/55/18/544485518.db2.gz QUBYSDRMYFMBCT-HNNXBMFYSA-N 2 2 357.458 2.272 10 0 FEAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccsc1 ZINC000077792921 325016492 /nfs/dbraw/zinc/01/64/92/325016492.db2.gz CEIPSJGAJCFPMF-RDJZCZTQSA-N 2 2 368.547 2.151 10 0 FEAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccsc1 ZINC000077792916 325016593 /nfs/dbraw/zinc/01/65/93/325016593.db2.gz CEIPSJGAJCFPMF-WBVHZDCISA-N 2 2 368.547 2.151 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)nc[nH+]1 ZINC000109070084 325657897 /nfs/dbraw/zinc/65/78/97/325657897.db2.gz JLQIBTFFGKVYFB-GOSISDBHSA-N 3 2 363.469 2.463 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(-n3ccnc3)cc2)nc[nH+]1 ZINC000109070084 325657899 /nfs/dbraw/zinc/65/78/99/325657899.db2.gz JLQIBTFFGKVYFB-GOSISDBHSA-N 2 2 363.469 2.463 10 0 FEAELP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)c1ccc(F)cc1 ZINC000110249092 325685627 /nfs/dbraw/zinc/68/56/27/325685627.db2.gz QTOZSUQQDQYRAG-SJORKVTESA-N 2 2 359.449 2.292 10 0 FEAELP Cc1cc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000116261670 326002138 /nfs/dbraw/zinc/00/21/38/326002138.db2.gz QKSYTSSOTCCEJE-SFHVURJKSA-N 2 2 368.481 2.224 10 0 FEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000120850411 326293563 /nfs/dbraw/zinc/29/35/63/326293563.db2.gz RVCQMDGBKIFVFM-TZIWHRDSSA-N 2 2 373.541 2.421 10 0 FEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000120850411 326293566 /nfs/dbraw/zinc/29/35/66/326293566.db2.gz RVCQMDGBKIFVFM-TZIWHRDSSA-N 2 2 373.541 2.421 10 0 FEAELP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1OC ZINC000121224242 326322701 /nfs/dbraw/zinc/32/27/01/326322701.db2.gz HSBSAQLSUIEWPA-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1OC ZINC000121224242 326322702 /nfs/dbraw/zinc/32/27/02/326322702.db2.gz HSBSAQLSUIEWPA-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[N@H+](Cc2cscn2)CC1 ZINC000171310448 327131518 /nfs/dbraw/zinc/13/15/18/327131518.db2.gz MCXASUKHEDWHFW-MRXNPFEDSA-N 2 2 367.563 2.337 10 0 FEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000171310448 327131520 /nfs/dbraw/zinc/13/15/20/327131520.db2.gz MCXASUKHEDWHFW-MRXNPFEDSA-N 2 2 367.563 2.337 10 0 FEAELP COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645709 327151328 /nfs/dbraw/zinc/15/13/28/327151328.db2.gz MSMIHALZDNHDHV-KRWDZBQOSA-N 2 2 368.481 2.483 10 0 FEAELP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645709 327151330 /nfs/dbraw/zinc/15/13/30/327151330.db2.gz MSMIHALZDNHDHV-KRWDZBQOSA-N 2 2 368.481 2.483 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CCNS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000171648787 327151690 /nfs/dbraw/zinc/15/16/90/327151690.db2.gz RVGCOIGZUNRGLS-KRWDZBQOSA-N 2 2 374.510 2.102 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CCNS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000171648787 327151691 /nfs/dbraw/zinc/15/16/91/327151691.db2.gz RVGCOIGZUNRGLS-KRWDZBQOSA-N 2 2 374.510 2.102 10 0 FEAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)COC[C@@H]2C)CC1 ZINC000172667376 327214025 /nfs/dbraw/zinc/21/40/25/327214025.db2.gz JUJSJONSAPUSPN-HDICACEKSA-N 2 2 359.514 2.185 10 0 FEAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)COC[C@@H]2C)CC1 ZINC000172667376 327214026 /nfs/dbraw/zinc/21/40/26/327214026.db2.gz JUJSJONSAPUSPN-HDICACEKSA-N 2 2 359.514 2.185 10 0 FEAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000173972876 327299204 /nfs/dbraw/zinc/29/92/04/327299204.db2.gz LPEJHPWXPXWRGT-HMXCVIKNSA-N 2 2 371.525 2.078 10 0 FEAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000173972876 327299205 /nfs/dbraw/zinc/29/92/05/327299205.db2.gz LPEJHPWXPXWRGT-HMXCVIKNSA-N 2 2 371.525 2.078 10 0 FEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262048170 328838123 /nfs/dbraw/zinc/83/81/23/328838123.db2.gz QTJQQROTZYRGAV-RDTXWAMCSA-N 2 2 365.905 2.299 10 0 FEAELP Cn1ncc2c1nc[nH+]c2N1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000275826730 330093528 /nfs/dbraw/zinc/09/35/28/330093528.db2.gz VCAWNYXWOLELLO-AWEZNQCLSA-N 2 2 369.498 2.311 10 0 FEAELP Cn1ncc2c1nc[nH+]c2N1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000275826730 330093529 /nfs/dbraw/zinc/09/35/29/330093529.db2.gz VCAWNYXWOLELLO-AWEZNQCLSA-N 2 2 369.498 2.311 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cn1 ZINC000156270658 545613178 /nfs/dbraw/zinc/61/31/78/545613178.db2.gz TWTQRVYIJJRLAW-UHFFFAOYSA-N 2 2 369.513 2.313 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cn1 ZINC000156270658 545613180 /nfs/dbraw/zinc/61/31/80/545613180.db2.gz TWTQRVYIJJRLAW-UHFFFAOYSA-N 2 2 369.513 2.313 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000175774904 546347383 /nfs/dbraw/zinc/34/73/83/546347383.db2.gz FSVSGUOVZWWEFY-FQEVSTJZSA-N 2 2 367.497 2.424 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000175774904 546347389 /nfs/dbraw/zinc/34/73/89/546347389.db2.gz FSVSGUOVZWWEFY-FQEVSTJZSA-N 2 2 367.497 2.424 10 0 FEAELP C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177834809 546693388 /nfs/dbraw/zinc/69/33/88/546693388.db2.gz SPNIDRCGCVLXBV-YJBOKZPZSA-N 2 2 369.469 2.272 10 0 FEAELP COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178305916 546772837 /nfs/dbraw/zinc/77/28/37/546772837.db2.gz MLNOIJAWHPJJRP-OALUTQOASA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccccc1COC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178305916 546772840 /nfs/dbraw/zinc/77/28/40/546772840.db2.gz MLNOIJAWHPJJRP-OALUTQOASA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000178747918 546842644 /nfs/dbraw/zinc/84/26/44/546842644.db2.gz MCFHUSPTDPUMDJ-MRXNPFEDSA-N 2 2 358.442 2.312 10 0 FEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1OC ZINC000178747918 546842647 /nfs/dbraw/zinc/84/26/47/546842647.db2.gz MCFHUSPTDPUMDJ-MRXNPFEDSA-N 2 2 358.442 2.312 10 0 FEAELP Cn1cc(-c2cc(C[N@@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)on2)cn1 ZINC000195294863 548614154 /nfs/dbraw/zinc/61/41/54/548614154.db2.gz BJNLZINAQZSVKQ-QGZVFWFLSA-N 2 2 366.469 2.424 10 0 FEAELP Cn1cc(-c2cc(C[N@H+]3CC[C@H](C[NH+](C)Cc4cccnc4)C3)on2)cn1 ZINC000195294863 548614160 /nfs/dbraw/zinc/61/41/60/548614160.db2.gz BJNLZINAQZSVKQ-QGZVFWFLSA-N 2 2 366.469 2.424 10 0 FEAELP Cn1cc(-c2cc(C[NH+]3CC[C@H](C[N@H+](C)Cc4cccnc4)C3)on2)cn1 ZINC000195294863 548614163 /nfs/dbraw/zinc/61/41/63/548614163.db2.gz BJNLZINAQZSVKQ-QGZVFWFLSA-N 2 2 366.469 2.424 10 0 FEAELP Cn1cc(-c2cc(C[NH+]3CC[C@H](C[N@@H+](C)Cc4cccnc4)C3)on2)cn1 ZINC000195294863 548614168 /nfs/dbraw/zinc/61/41/68/548614168.db2.gz BJNLZINAQZSVKQ-QGZVFWFLSA-N 2 2 366.469 2.424 10 0 FEAELP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@H]2C[NH+](C)CCO2)cc1 ZINC000246428642 549131405 /nfs/dbraw/zinc/13/14/05/549131405.db2.gz MTGMADARVPHIBX-XLIONFOSSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2C[NH+](C)CCO2)cc1 ZINC000246428642 549131412 /nfs/dbraw/zinc/13/14/12/549131412.db2.gz MTGMADARVPHIBX-XLIONFOSSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)cc1 ZINC000246428642 549131417 /nfs/dbraw/zinc/13/14/17/549131417.db2.gz MTGMADARVPHIBX-XLIONFOSSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000246428642 549131421 /nfs/dbraw/zinc/13/14/21/549131421.db2.gz MTGMADARVPHIBX-XLIONFOSSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000246491638 549145433 /nfs/dbraw/zinc/14/54/33/549145433.db2.gz SLDMGCILWWBPQY-XLIONFOSSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H]3C[NH+](C)CCO3)cc2)C1 ZINC000246491638 549145436 /nfs/dbraw/zinc/14/54/36/549145436.db2.gz SLDMGCILWWBPQY-XLIONFOSSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)C1 ZINC000246491638 549145439 /nfs/dbraw/zinc/14/54/39/549145439.db2.gz SLDMGCILWWBPQY-XLIONFOSSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC000246491638 549145442 /nfs/dbraw/zinc/14/54/42/549145442.db2.gz SLDMGCILWWBPQY-XLIONFOSSA-N 2 2 374.529 2.048 10 0 FEAELP COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000246898146 549237567 /nfs/dbraw/zinc/23/75/67/549237567.db2.gz FMLKQDSYRPJJPT-RBUKOAKNSA-N 2 2 359.470 2.242 10 0 FEAELP COc1cccc(COC[C@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000246898146 549237572 /nfs/dbraw/zinc/23/75/72/549237572.db2.gz FMLKQDSYRPJJPT-RBUKOAKNSA-N 2 2 359.470 2.242 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000247309716 549315208 /nfs/dbraw/zinc/31/52/08/549315208.db2.gz VTVYCDVCGPPYEP-XJKSGUPXSA-N 2 2 352.429 2.057 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000247309716 549315212 /nfs/dbraw/zinc/31/52/12/549315212.db2.gz VTVYCDVCGPPYEP-XJKSGUPXSA-N 2 2 352.429 2.057 10 0 FEAELP CS(=O)(=O)c1cccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000262309373 549809233 /nfs/dbraw/zinc/80/92/33/549809233.db2.gz YTRGQXAWGCSNND-XLIONFOSSA-N 2 2 374.506 2.143 10 0 FEAELP CS(=O)(=O)c1cccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000262309373 549809237 /nfs/dbraw/zinc/80/92/37/549809237.db2.gz YTRGQXAWGCSNND-XLIONFOSSA-N 2 2 374.506 2.143 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301686772 553671586 /nfs/dbraw/zinc/67/15/86/553671586.db2.gz XFKJYGYUYSMKSK-ROUUACIJSA-N 2 2 355.438 2.239 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301686772 553671588 /nfs/dbraw/zinc/67/15/88/553671588.db2.gz XFKJYGYUYSMKSK-ROUUACIJSA-N 2 2 355.438 2.239 10 0 FEAELP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000182983802 672457746 /nfs/dbraw/zinc/45/77/46/672457746.db2.gz BRSMPSCXKMCDJM-LBPRGKRZSA-N 2 2 359.923 2.279 10 0 FEAELP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000247385273 549326760 /nfs/dbraw/zinc/32/67/60/549326760.db2.gz FYABSNUKBSQNAY-MOPGFXCFSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000247385273 549326764 /nfs/dbraw/zinc/32/67/64/549326764.db2.gz FYABSNUKBSQNAY-MOPGFXCFSA-N 2 2 374.529 2.013 10 0 FEAELP C[N@H+]1C[C@H]2[C@@H](C1)[C@@H](c1ccc(-c3cc[nH]n3)o1)[NH2+][C@]2(CO)c1ccccc1 ZINC000067688314 221270876 /nfs/dbraw/zinc/27/08/76/221270876.db2.gz SKLJHMILOMGJNL-QMKUDKLTSA-N 2 2 364.449 2.380 10 0 FEAELP C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1ccc(-c3cc[nH]n3)o1)[NH2+][C@]2(CO)c1ccccc1 ZINC000067688314 221270879 /nfs/dbraw/zinc/27/08/79/221270879.db2.gz SKLJHMILOMGJNL-QMKUDKLTSA-N 2 2 364.449 2.380 10 0 FEAELP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000104796379 543144475 /nfs/dbraw/zinc/14/44/75/543144475.db2.gz RLAULZKPGAEYBR-HXUWFJFHSA-N 2 2 374.529 2.048 10 0 FEAELP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000104796379 543144477 /nfs/dbraw/zinc/14/44/77/543144477.db2.gz RLAULZKPGAEYBR-HXUWFJFHSA-N 2 2 374.529 2.048 10 0 FEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000105103957 543158243 /nfs/dbraw/zinc/15/82/43/543158243.db2.gz KQQSFWKAHOYXOV-GOSISDBHSA-N 2 2 357.502 2.452 10 0 FEAELP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000105103957 543158247 /nfs/dbraw/zinc/15/82/47/543158247.db2.gz KQQSFWKAHOYXOV-GOSISDBHSA-N 2 2 357.502 2.452 10 0 FEAELP COC(=O)c1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130303 543205971 /nfs/dbraw/zinc/20/59/71/543205971.db2.gz QBCLNYFTDIIPHH-UHFFFAOYSA-N 2 2 356.470 2.266 10 0 FEAELP COC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130303 543205972 /nfs/dbraw/zinc/20/59/72/543205972.db2.gz QBCLNYFTDIIPHH-UHFFFAOYSA-N 2 2 356.470 2.266 10 0 FEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000106904597 543254443 /nfs/dbraw/zinc/25/44/43/543254443.db2.gz RLXQUKSXSDMTOF-OAQYLSRUSA-N 2 2 351.494 2.334 10 0 FEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000106904597 543254451 /nfs/dbraw/zinc/25/44/51/543254451.db2.gz RLXQUKSXSDMTOF-OAQYLSRUSA-N 2 2 351.494 2.334 10 0 FEAELP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000151275906 544523979 /nfs/dbraw/zinc/52/39/79/544523979.db2.gz JKJRPNWDVWVLHL-HKUYNNGSSA-N 2 2 372.513 2.497 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000155202438 545001331 /nfs/dbraw/zinc/00/13/31/545001331.db2.gz NYGBJEBGFQWSHY-LJQANCHMSA-N 2 2 368.481 2.338 10 0 FEAELP C[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000184644761 327877067 /nfs/dbraw/zinc/87/70/67/327877067.db2.gz XRYTYIAJOVGRRP-GOSISDBHSA-N 2 2 359.514 2.126 10 0 FEAELP C[C@H]([NH2+]C[C@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890656 328173915 /nfs/dbraw/zinc/17/39/15/328173915.db2.gz CKPMFGMMKMJYRU-JKSUJKDBSA-N 2 2 362.499 2.195 10 0 FEAELP CC(C)c1nc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000190450194 328208588 /nfs/dbraw/zinc/20/85/88/328208588.db2.gz AXVQSIQLZJALFQ-KRWDZBQOSA-N 2 2 369.517 2.414 10 0 FEAELP CC(C)c1nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000190450194 328208589 /nfs/dbraw/zinc/20/85/89/328208589.db2.gz AXVQSIQLZJALFQ-KRWDZBQOSA-N 2 2 369.517 2.414 10 0 FEAELP CC(C)c1nc(N(C)C)nc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000190450194 328208590 /nfs/dbraw/zinc/20/85/90/328208590.db2.gz AXVQSIQLZJALFQ-KRWDZBQOSA-N 2 2 369.517 2.414 10 0 FEAELP CC(C)c1nc(N(C)C)nc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000190450194 328208591 /nfs/dbraw/zinc/20/85/91/328208591.db2.gz AXVQSIQLZJALFQ-KRWDZBQOSA-N 2 2 369.517 2.414 10 0 FEAELP Cc1cc(N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nc(C2CC2)[nH+]1 ZINC000116261672 326002341 /nfs/dbraw/zinc/00/23/41/326002341.db2.gz QKSYTSSOTCCEJE-GOSISDBHSA-N 2 2 368.481 2.224 10 0 FEAELP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000116535535 326021581 /nfs/dbraw/zinc/02/15/81/326021581.db2.gz ODHARMXTRSMULQ-MRXNPFEDSA-N 2 2 365.547 2.153 10 0 FEAELP CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000116535535 326021585 /nfs/dbraw/zinc/02/15/85/326021585.db2.gz ODHARMXTRSMULQ-MRXNPFEDSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)C1 ZINC000116535535 326021588 /nfs/dbraw/zinc/02/15/88/326021588.db2.gz ODHARMXTRSMULQ-MRXNPFEDSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)C1 ZINC000116535535 326021591 /nfs/dbraw/zinc/02/15/91/326021591.db2.gz ODHARMXTRSMULQ-MRXNPFEDSA-N 2 2 365.547 2.153 10 0 FEAELP CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000120803779 326289409 /nfs/dbraw/zinc/28/94/09/326289409.db2.gz ARTASOPGTDHLEL-LPHOPBHVSA-N 2 2 360.502 2.369 10 0 FEAELP CC(C)[N@@H+]1C[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000120803779 326289410 /nfs/dbraw/zinc/28/94/10/326289410.db2.gz ARTASOPGTDHLEL-LPHOPBHVSA-N 2 2 360.502 2.369 10 0 FEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2sccc2C1 ZINC000171643486 327150734 /nfs/dbraw/zinc/15/07/34/327150734.db2.gz KFQGAPARDUKTKB-OAHLLOKOSA-N 2 2 356.495 2.462 10 0 FEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2sccc2C1 ZINC000171643486 327150736 /nfs/dbraw/zinc/15/07/36/327150736.db2.gz KFQGAPARDUKTKB-OAHLLOKOSA-N 2 2 356.495 2.462 10 0 FEAELP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641804 327150784 /nfs/dbraw/zinc/15/07/84/327150784.db2.gz JLXHKBLCGCJDHI-LJQANCHMSA-N 2 2 368.481 2.278 10 0 FEAELP COCc1ccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641804 327150785 /nfs/dbraw/zinc/15/07/85/327150785.db2.gz JLXHKBLCGCJDHI-LJQANCHMSA-N 2 2 368.481 2.278 10 0 FEAELP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648111 327151666 /nfs/dbraw/zinc/15/16/66/327151666.db2.gz ASMCYKGOGVWMCL-MRXNPFEDSA-N 2 2 354.454 2.140 10 0 FEAELP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171648111 327151667 /nfs/dbraw/zinc/15/16/67/327151667.db2.gz ASMCYKGOGVWMCL-MRXNPFEDSA-N 2 2 354.454 2.140 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cc(=O)n4ccsc4n3)C2)[nH+]1 ZINC000171652570 327152046 /nfs/dbraw/zinc/15/20/46/327152046.db2.gz GQZDFJXSCIHTBR-CQSZACIVSA-N 2 2 355.467 2.393 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cc(=O)n4ccsc4n3)C2)[nH+]1 ZINC000171652570 327152049 /nfs/dbraw/zinc/15/20/49/327152049.db2.gz GQZDFJXSCIHTBR-CQSZACIVSA-N 2 2 355.467 2.393 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCCOc3ccccc3)C2)[nH+]1 ZINC000171651898 327152184 /nfs/dbraw/zinc/15/21/84/327152184.db2.gz KUYVFWFABHNNJV-GOSISDBHSA-N 2 2 368.481 2.319 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCCOc3ccccc3)C2)[nH+]1 ZINC000171651898 327152185 /nfs/dbraw/zinc/15/21/85/327152185.db2.gz KUYVFWFABHNNJV-GOSISDBHSA-N 2 2 368.481 2.319 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000173454445 327258410 /nfs/dbraw/zinc/25/84/10/327258410.db2.gz QRVIIWUOZYCSMU-QGZVFWFLSA-N 2 2 371.485 2.297 10 0 FEAELP C[NH+]1CCC(CNC(=O)N[C@H]2COc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000174439734 327327129 /nfs/dbraw/zinc/32/71/29/327327129.db2.gz QREOQPZTYUEZRB-SFHVURJKSA-N 2 2 372.513 2.370 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)nc[nH+]1 ZINC000177308911 546590775 /nfs/dbraw/zinc/59/07/75/546590775.db2.gz XATVCGDLOZYGCR-DOTOQJQBSA-N 2 2 368.485 2.494 10 0 FEAELP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177386677 546607496 /nfs/dbraw/zinc/60/74/96/546607496.db2.gz UKVNYDLCBYBEDY-LJQANCHMSA-N 2 2 368.485 2.117 10 0 FEAELP O=C(C[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177751971 546679718 /nfs/dbraw/zinc/67/97/18/546679718.db2.gz SUEWTYIOQHYZTG-UXHICEINSA-N 2 2 368.481 2.165 10 0 FEAELP O=C(C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177751971 546679720 /nfs/dbraw/zinc/67/97/20/546679720.db2.gz SUEWTYIOQHYZTG-UXHICEINSA-N 2 2 368.481 2.165 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000178426118 546791929 /nfs/dbraw/zinc/79/19/29/546791929.db2.gz XWLQXROQHXUDSQ-CVEARBPZSA-N 2 2 368.547 2.151 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000178426118 546791935 /nfs/dbraw/zinc/79/19/35/546791935.db2.gz XWLQXROQHXUDSQ-CVEARBPZSA-N 2 2 368.547 2.151 10 0 FEAELP Cn1cc(-c2cc(C[N@@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)on2)cn1 ZINC000195294876 548614416 /nfs/dbraw/zinc/61/44/16/548614416.db2.gz BJNLZINAQZSVKQ-KRWDZBQOSA-N 2 2 366.469 2.424 10 0 FEAELP Cn1cc(-c2cc(C[N@H+]3CC[C@@H](C[NH+](C)Cc4cccnc4)C3)on2)cn1 ZINC000195294876 548614421 /nfs/dbraw/zinc/61/44/21/548614421.db2.gz BJNLZINAQZSVKQ-KRWDZBQOSA-N 2 2 366.469 2.424 10 0 FEAELP Cn1cc(-c2cc(C[NH+]3CC[C@@H](C[N@H+](C)Cc4cccnc4)C3)on2)cn1 ZINC000195294876 548614428 /nfs/dbraw/zinc/61/44/28/548614428.db2.gz BJNLZINAQZSVKQ-KRWDZBQOSA-N 2 2 366.469 2.424 10 0 FEAELP Cn1cc(-c2cc(C[NH+]3CC[C@@H](C[N@@H+](C)Cc4cccnc4)C3)on2)cn1 ZINC000195294876 548614432 /nfs/dbraw/zinc/61/44/32/548614432.db2.gz BJNLZINAQZSVKQ-KRWDZBQOSA-N 2 2 366.469 2.424 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCc2ccccc2F)C1 ZINC000195300747 548616079 /nfs/dbraw/zinc/61/60/79/548616079.db2.gz MDOPQQVUSKQNAW-GOSISDBHSA-N 2 2 370.472 2.291 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NCc2ccccc2F)C1 ZINC000195300747 548616083 /nfs/dbraw/zinc/61/60/83/548616083.db2.gz MDOPQQVUSKQNAW-GOSISDBHSA-N 2 2 370.472 2.291 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000195300747 548616089 /nfs/dbraw/zinc/61/60/89/548616089.db2.gz MDOPQQVUSKQNAW-GOSISDBHSA-N 2 2 370.472 2.291 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000195300747 548616092 /nfs/dbraw/zinc/61/60/92/548616092.db2.gz MDOPQQVUSKQNAW-GOSISDBHSA-N 2 2 370.472 2.291 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000245482768 548932739 /nfs/dbraw/zinc/93/27/39/548932739.db2.gz DMRGTUCRBNWFSC-DLBZAZTESA-N 2 2 371.485 2.295 10 0 FEAELP COCC[N@H+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000245482768 548932741 /nfs/dbraw/zinc/93/27/41/548932741.db2.gz DMRGTUCRBNWFSC-DLBZAZTESA-N 2 2 371.485 2.295 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245652699 548966029 /nfs/dbraw/zinc/96/60/29/548966029.db2.gz FAHHSTIDWCTRFF-JCGIZDLHSA-N 2 2 366.456 2.494 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245652699 548966031 /nfs/dbraw/zinc/96/60/31/548966031.db2.gz FAHHSTIDWCTRFF-JCGIZDLHSA-N 2 2 366.456 2.494 10 0 FEAELP CC[NH+]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245652699 548966032 /nfs/dbraw/zinc/96/60/32/548966032.db2.gz FAHHSTIDWCTRFF-JCGIZDLHSA-N 2 2 366.456 2.494 10 0 FEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000245893921 549012785 /nfs/dbraw/zinc/01/27/85/549012785.db2.gz MQJUXPQTRIGNAR-ICSRJNTNSA-N 2 2 374.529 2.013 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249296652 549577828 /nfs/dbraw/zinc/57/78/28/549577828.db2.gz MOAMDYOCQVFJBR-VQTJNVASSA-N 3 2 369.513 2.075 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249296652 549577830 /nfs/dbraw/zinc/57/78/30/549577830.db2.gz MOAMDYOCQVFJBR-VQTJNVASSA-N 3 2 369.513 2.075 10 0 FEAELP CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261651829 549739067 /nfs/dbraw/zinc/73/90/67/549739067.db2.gz AOSDNCAGUNGMED-QGZVFWFLSA-N 2 2 367.440 2.068 10 0 FEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000263201473 549885133 /nfs/dbraw/zinc/88/51/33/549885133.db2.gz JEBNPKDIFJNLHH-IXDOHACOSA-N 2 2 365.424 2.086 10 0 FEAELP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000263201473 549885136 /nfs/dbraw/zinc/88/51/36/549885136.db2.gz JEBNPKDIFJNLHH-IXDOHACOSA-N 2 2 365.424 2.086 10 0 FEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248635578 672859108 /nfs/dbraw/zinc/85/91/08/672859108.db2.gz ULBCYNKDSPFJKR-IXDOHACOSA-N 2 2 355.523 2.475 10 0 FEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C[C@@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248635578 672859113 /nfs/dbraw/zinc/85/91/13/672859113.db2.gz ULBCYNKDSPFJKR-IXDOHACOSA-N 2 2 355.523 2.475 10 0 FEAELP COCc1cc(C[NH+]2CCN(c3[nH+]cnc4[nH]ccc43)CC2)ccc1OC ZINC000067758745 221282798 /nfs/dbraw/zinc/28/27/98/221282798.db2.gz XDDBTQJKXDEQIW-UHFFFAOYSA-N 2 2 367.453 2.435 10 0 FEAELP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000098144183 543023699 /nfs/dbraw/zinc/02/36/99/543023699.db2.gz AHTHLPQUAKCPMP-BEFAXECRSA-N 2 2 354.450 2.485 10 0 FEAELP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000098144183 543023701 /nfs/dbraw/zinc/02/37/01/543023701.db2.gz AHTHLPQUAKCPMP-BEFAXECRSA-N 2 2 354.450 2.485 10 0 FEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109753999 543336671 /nfs/dbraw/zinc/33/66/71/543336671.db2.gz QNMZPUHRGBZPEO-ZVDOUQERSA-N 2 2 372.557 2.354 10 0 FEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109753999 543336673 /nfs/dbraw/zinc/33/66/73/543336673.db2.gz QNMZPUHRGBZPEO-ZVDOUQERSA-N 2 2 372.557 2.354 10 0 FEAELP C[C@H](C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117805089 543640636 /nfs/dbraw/zinc/64/06/36/543640636.db2.gz ZCBPCIULDNUTTR-MBOZVWFJSA-N 2 2 374.504 2.031 10 0 FEAELP C[C@H](C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117805089 543640639 /nfs/dbraw/zinc/64/06/39/543640639.db2.gz ZCBPCIULDNUTTR-MBOZVWFJSA-N 2 2 374.504 2.031 10 0 FEAELP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672473 327696840 /nfs/dbraw/zinc/69/68/40/327696840.db2.gz ZISVTTCGWZTMHZ-CABCVRRESA-N 2 2 357.458 2.393 10 0 FEAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188420322 328085812 /nfs/dbraw/zinc/08/58/12/328085812.db2.gz OMEPNGPATQYPKD-QGZVFWFLSA-N 2 2 359.474 2.313 10 0 FEAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188420322 328085814 /nfs/dbraw/zinc/08/58/14/328085814.db2.gz OMEPNGPATQYPKD-QGZVFWFLSA-N 2 2 359.474 2.313 10 0 FEAELP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000237056024 328502916 /nfs/dbraw/zinc/50/29/16/328502916.db2.gz JDZJPTDXQUXQCC-SUMWQHHRSA-N 2 2 363.893 2.005 10 0 FEAELP CC[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1CCOC ZINC000117426104 326060966 /nfs/dbraw/zinc/06/09/66/326060966.db2.gz GICAFIRVSXCUQW-XLIONFOSSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+]1CCOC ZINC000117426104 326060969 /nfs/dbraw/zinc/06/09/69/326060969.db2.gz GICAFIRVSXCUQW-XLIONFOSSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@H]1CN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1CCOC ZINC000117426104 326060972 /nfs/dbraw/zinc/06/09/72/326060972.db2.gz GICAFIRVSXCUQW-XLIONFOSSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@H]1CN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+]1CCOC ZINC000117426104 326060975 /nfs/dbraw/zinc/06/09/75/326060975.db2.gz GICAFIRVSXCUQW-XLIONFOSSA-N 2 2 359.514 2.002 10 0 FEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000171644494 327150910 /nfs/dbraw/zinc/15/09/10/327150910.db2.gz UPJIFJWXOUTYSK-HNNXBMFYSA-N 2 2 353.426 2.164 10 0 FEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000171644494 327150911 /nfs/dbraw/zinc/15/09/11/327150911.db2.gz UPJIFJWXOUTYSK-HNNXBMFYSA-N 2 2 353.426 2.164 10 0 FEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCCOc1ccccc1 ZINC000171645632 327151071 /nfs/dbraw/zinc/15/10/71/327151071.db2.gz HSQDUYSFBVYDPC-QGZVFWFLSA-N 2 2 354.454 2.011 10 0 FEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCCOc1ccccc1 ZINC000171645632 327151072 /nfs/dbraw/zinc/15/10/72/327151072.db2.gz HSQDUYSFBVYDPC-QGZVFWFLSA-N 2 2 354.454 2.011 10 0 FEAELP C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173206026 327241203 /nfs/dbraw/zinc/24/12/03/327241203.db2.gz ZQWXOQHUEDIHSM-INIZCTEOSA-N 2 2 371.485 2.343 10 0 FEAELP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000173979217 327299381 /nfs/dbraw/zinc/29/93/81/327299381.db2.gz ODSLOTVFYRXSGA-YJBOKZPZSA-N 2 2 371.481 2.287 10 0 FEAELP C[C@H]1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)[C@@H](C[NH3+])C1 ZINC000261875842 328826046 /nfs/dbraw/zinc/82/60/46/328826046.db2.gz STPRJMUDYAYREJ-MAUKXSAKSA-N 2 2 369.469 2.111 10 0 FEAELP O=C(Cc1cn2ccccc2[nH+]1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000262525525 328870797 /nfs/dbraw/zinc/87/07/97/328870797.db2.gz OMLVBGDGRAWWEQ-MAUKXSAKSA-N 2 2 370.403 2.417 10 0 FEAELP COc1cccc([C@H](C)[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000175647151 546327247 /nfs/dbraw/zinc/32/72/47/546327247.db2.gz FLKGTIICIVBFNH-RXVVDRJESA-N 2 2 361.530 2.483 10 0 FEAELP COc1cccc([C@H](C)[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000175647151 546327253 /nfs/dbraw/zinc/32/72/53/546327253.db2.gz FLKGTIICIVBFNH-RXVVDRJESA-N 2 2 361.530 2.483 10 0 FEAELP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178319501 546774797 /nfs/dbraw/zinc/77/47/97/546774797.db2.gz LSEXLIGOHVMKOW-MSOLQXFVSA-N 2 2 359.470 2.495 10 0 FEAELP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178319501 546774802 /nfs/dbraw/zinc/77/48/02/546774802.db2.gz LSEXLIGOHVMKOW-MSOLQXFVSA-N 2 2 359.470 2.495 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000178426128 546792581 /nfs/dbraw/zinc/79/25/81/546792581.db2.gz XWLQXROQHXUDSQ-HZPDHXFCSA-N 2 2 368.547 2.151 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000178426128 546792584 /nfs/dbraw/zinc/79/25/84/546792584.db2.gz XWLQXROQHXUDSQ-HZPDHXFCSA-N 2 2 368.547 2.151 10 0 FEAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000178779259 546847950 /nfs/dbraw/zinc/84/79/50/546847950.db2.gz MUMHKCRWTILGLC-FUHWJXTLSA-N 2 2 359.495 2.280 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000178883632 546867873 /nfs/dbraw/zinc/86/78/73/546867873.db2.gz MXTQEBDNDIJDBK-ZBFHGGJFSA-N 2 2 350.532 2.122 10 0 FEAELP FC(F)(F)CC[NH+]1CCC([NH2+][C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000180173674 547062731 /nfs/dbraw/zinc/06/27/31/547062731.db2.gz XWELKOYQALMNDQ-OAHLLOKOSA-N 2 2 357.424 2.452 10 0 FEAELP C[N@H+](C[C@H](O)CCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182345137 547476239 /nfs/dbraw/zinc/47/62/39/547476239.db2.gz WMGBTYNHJNVFGV-OAQYLSRUSA-N 2 2 356.514 2.273 10 0 FEAELP C[N@@H+](C[C@H](O)CCc1ccccc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000182345137 547476242 /nfs/dbraw/zinc/47/62/42/547476242.db2.gz WMGBTYNHJNVFGV-OAQYLSRUSA-N 2 2 356.514 2.273 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292400 548614465 /nfs/dbraw/zinc/61/44/65/548614465.db2.gz XMJPCHNQIZBOCP-QGZVFWFLSA-N 2 2 356.514 2.140 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292400 548614472 /nfs/dbraw/zinc/61/44/72/548614472.db2.gz XMJPCHNQIZBOCP-QGZVFWFLSA-N 2 2 356.514 2.140 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292400 548614477 /nfs/dbraw/zinc/61/44/77/548614477.db2.gz XMJPCHNQIZBOCP-QGZVFWFLSA-N 2 2 356.514 2.140 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292400 548614482 /nfs/dbraw/zinc/61/44/82/548614482.db2.gz XMJPCHNQIZBOCP-QGZVFWFLSA-N 2 2 356.514 2.140 10 0 FEAELP [NH3+][C@H]1CCC[C@@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000238008532 548871807 /nfs/dbraw/zinc/87/18/07/548871807.db2.gz MKAPCBJWFAEPHX-WBVHZDCISA-N 2 2 365.905 2.381 10 0 FEAELP CC(=O)N[C@]1(c2nc(C)cs2)CC[N@@H+](Cc2c[nH+]ccc2N(C)C)C1 ZINC000886054762 688198389 /nfs/dbraw/zinc/19/83/89/688198389.db2.gz DBZASRDFYKHNHU-GOSISDBHSA-N 2 2 359.499 2.150 10 0 FEAELP CC(=O)N[C@]1(c2nc(C)cs2)CC[N@H+](Cc2c[nH+]ccc2N(C)C)C1 ZINC000886054762 688198391 /nfs/dbraw/zinc/19/83/91/688198391.db2.gz DBZASRDFYKHNHU-GOSISDBHSA-N 2 2 359.499 2.150 10 0 FEAELP Cn1ccnc1C[NH+]1CCC(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000048274339 540354689 /nfs/dbraw/zinc/35/46/89/540354689.db2.gz QXWFDCKNASWCCM-IBGZPJMESA-N 2 2 369.513 2.051 10 0 FEAELP C[C@@H](C[N@@H+]1CCc2ccccc2C1)Nc1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065371190 221203949 /nfs/dbraw/zinc/20/39/49/221203949.db2.gz LORDAVLODIZEMN-INIZCTEOSA-N 2 2 367.497 2.296 10 0 FEAELP C[C@@H](C[N@H+]1CCc2ccccc2C1)Nc1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065371190 221203950 /nfs/dbraw/zinc/20/39/50/221203950.db2.gz LORDAVLODIZEMN-INIZCTEOSA-N 2 2 367.497 2.296 10 0 FEAELP C[C@H](C[N@@H+]1CCc2ccccc2C1)Nc1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065371191 221204697 /nfs/dbraw/zinc/20/46/97/221204697.db2.gz LORDAVLODIZEMN-MRXNPFEDSA-N 2 2 367.497 2.296 10 0 FEAELP C[C@H](C[N@H+]1CCc2ccccc2C1)Nc1nc(N2CCC(O)CC2)cc[nH+]1 ZINC000065371191 221204698 /nfs/dbraw/zinc/20/46/98/221204698.db2.gz LORDAVLODIZEMN-MRXNPFEDSA-N 2 2 367.497 2.296 10 0 FEAELP CCN1CC[C@@]2(CN(Cc3c(C)[nH+]c4ccccn43)CC[N@@H+]2C)CCC1=O ZINC000091706568 542820129 /nfs/dbraw/zinc/82/01/29/542820129.db2.gz IKLGNKZSFPRDHP-OAQYLSRUSA-N 2 2 369.513 2.161 10 0 FEAELP CCN1CC[C@@]2(CN(Cc3c(C)[nH+]c4ccccn43)CC[N@H+]2C)CCC1=O ZINC000091706568 542820133 /nfs/dbraw/zinc/82/01/33/542820133.db2.gz IKLGNKZSFPRDHP-OAQYLSRUSA-N 2 2 369.513 2.161 10 0 FEAELP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128760 543205267 /nfs/dbraw/zinc/20/52/67/543205267.db2.gz PEPVRFVPFIXMDF-GOSISDBHSA-N 2 2 363.550 2.172 10 0 FEAELP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128760 543205268 /nfs/dbraw/zinc/20/52/68/543205268.db2.gz PEPVRFVPFIXMDF-GOSISDBHSA-N 2 2 363.550 2.172 10 0 FEAELP CN(C)C(=O)c1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106128513 543205293 /nfs/dbraw/zinc/20/52/93/543205293.db2.gz SEZLYIIQOSLPGA-UHFFFAOYSA-N 2 2 369.513 2.181 10 0 FEAELP CN(C)C(=O)c1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106128513 543205295 /nfs/dbraw/zinc/20/52/95/543205295.db2.gz SEZLYIIQOSLPGA-UHFFFAOYSA-N 2 2 369.513 2.181 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000106215748 543219203 /nfs/dbraw/zinc/21/92/03/543219203.db2.gz TWCYREBBQIFPTB-GOSISDBHSA-N 2 2 370.497 2.450 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccccc2OC)C1 ZINC000106215748 543219207 /nfs/dbraw/zinc/21/92/07/543219207.db2.gz TWCYREBBQIFPTB-GOSISDBHSA-N 2 2 370.497 2.450 10 0 FEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000106430170 543229751 /nfs/dbraw/zinc/22/97/51/543229751.db2.gz VBDDZNGNBDTPCS-IBGZPJMESA-N 2 2 352.482 2.471 10 0 FEAELP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000113590948 543491481 /nfs/dbraw/zinc/49/14/81/543491481.db2.gz MJWMXCBRCDTAOF-DLBZAZTESA-N 2 2 362.518 2.136 10 0 FEAELP C[NH+](C)C[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000114480218 543520267 /nfs/dbraw/zinc/52/02/67/543520267.db2.gz RAKZUVFIFDKERL-WOJBJXKFSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](C[NH+](C)C)C2)C1 ZINC000114480218 543520270 /nfs/dbraw/zinc/52/02/70/543520270.db2.gz RAKZUVFIFDKERL-WOJBJXKFSA-N 4 2 358.574 2.454 10 0 FEAELP C[C@@H](C(N)=O)[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000125924095 543909118 /nfs/dbraw/zinc/90/91/18/543909118.db2.gz NAJUFEHSJDWQRV-NSHDSACASA-N 2 2 352.360 2.249 10 0 FEAELP C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000247501662 549346660 /nfs/dbraw/zinc/34/66/60/549346660.db2.gz NUQZWLDFQZMSBT-PXNSSMCTSA-N 2 2 374.504 2.033 10 0 FEAELP C[C@@H](C(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000247501662 549346662 /nfs/dbraw/zinc/34/66/62/549346662.db2.gz NUQZWLDFQZMSBT-PXNSSMCTSA-N 2 2 374.504 2.033 10 0 FEAELP C[C@@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653388 327695746 /nfs/dbraw/zinc/69/57/46/327695746.db2.gz QAYMDIUUVBEKQW-DNVCBOLYSA-N 2 2 364.453 2.452 10 0 FEAELP CC[NH+](CC)CCCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116520329 326020053 /nfs/dbraw/zinc/02/00/53/326020053.db2.gz GGAKMXXSJLXROE-UHFFFAOYSA-N 2 2 367.563 2.401 10 0 FEAELP CC[NH+](CC)CCCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116520329 326020055 /nfs/dbraw/zinc/02/00/55/326020055.db2.gz GGAKMXXSJLXROE-UHFFFAOYSA-N 2 2 367.563 2.401 10 0 FEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000171583050 327146820 /nfs/dbraw/zinc/14/68/20/327146820.db2.gz BXTSIPUBEBNCNK-GOSISDBHSA-N 2 2 360.502 2.178 10 0 FEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000171583050 327146821 /nfs/dbraw/zinc/14/68/21/327146821.db2.gz BXTSIPUBEBNCNK-GOSISDBHSA-N 2 2 360.502 2.178 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CC ZINC000172297025 327193597 /nfs/dbraw/zinc/19/35/97/327193597.db2.gz AZRRILNBAPIQJM-GOSISDBHSA-N 2 2 356.470 2.445 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1CC ZINC000172297025 327193598 /nfs/dbraw/zinc/19/35/98/327193598.db2.gz AZRRILNBAPIQJM-GOSISDBHSA-N 2 2 356.470 2.445 10 0 FEAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3[C@H](C)COC[C@@H]3C)CC2)cc1 ZINC000172668166 327214102 /nfs/dbraw/zinc/21/41/02/327214102.db2.gz WEFGNCAEEIBSQQ-KDURUIRLSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3[C@H](C)COC[C@@H]3C)CC2)cc1 ZINC000172668166 327214103 /nfs/dbraw/zinc/21/41/03/327214103.db2.gz WEFGNCAEEIBSQQ-KDURUIRLSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3[C@H](C)COC[C@@H]3C)CC2)cc1 ZINC000172668166 327214104 /nfs/dbraw/zinc/21/41/04/327214104.db2.gz WEFGNCAEEIBSQQ-KDURUIRLSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3[C@H](C)COC[C@@H]3C)CC2)cc1 ZINC000172668166 327214105 /nfs/dbraw/zinc/21/41/05/327214105.db2.gz WEFGNCAEEIBSQQ-KDURUIRLSA-N 2 2 359.514 2.139 10 0 FEAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000173972857 327298999 /nfs/dbraw/zinc/29/89/99/327298999.db2.gz LPEJHPWXPXWRGT-NRSPTQNISA-N 2 2 371.525 2.078 10 0 FEAELP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000173972857 327299000 /nfs/dbraw/zinc/29/90/00/327299000.db2.gz LPEJHPWXPXWRGT-NRSPTQNISA-N 2 2 371.525 2.078 10 0 FEAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000174356421 327321625 /nfs/dbraw/zinc/32/16/25/327321625.db2.gz JAFPJPLOZYXUTP-JKSUJKDBSA-N 2 2 355.438 2.401 10 0 FEAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000174356421 327321626 /nfs/dbraw/zinc/32/16/26/327321626.db2.gz JAFPJPLOZYXUTP-JKSUJKDBSA-N 2 2 355.438 2.401 10 0 FEAELP CC[NH+](CC)[C@H](CNC(=O)[C@H]1[NH2+]CCO[C@@H]1C)c1ccccc1Cl ZINC000262348407 328860581 /nfs/dbraw/zinc/86/05/81/328860581.db2.gz UIBRHZRWCIUSJA-XYPHTWIQSA-N 2 2 353.894 2.216 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000178779269 546847684 /nfs/dbraw/zinc/84/76/84/546847684.db2.gz MUMHKCRWTILGLC-SJLPKXTDSA-N 2 2 359.495 2.280 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]C2CCN(c3nccs3)CC2)nc[nH+]1 ZINC000180575868 547134495 /nfs/dbraw/zinc/13/44/95/547134495.db2.gz VFOJXOFWBBAZFO-HNNXBMFYSA-N 2 2 373.530 2.202 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668819 547154113 /nfs/dbraw/zinc/15/41/13/547154113.db2.gz LKSIFEWSXYJTNI-SJORKVTESA-N 2 2 355.486 2.076 10 0 FEAELP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@H]2C)C1 ZINC000180673275 547155138 /nfs/dbraw/zinc/15/51/38/547155138.db2.gz ZBWMRYYVTCLXDI-WBVHZDCISA-N 2 2 368.518 2.357 10 0 FEAELP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@H]2C)C1 ZINC000180673275 547155143 /nfs/dbraw/zinc/15/51/43/547155143.db2.gz ZBWMRYYVTCLXDI-WBVHZDCISA-N 2 2 368.518 2.357 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254168 548604020 /nfs/dbraw/zinc/60/40/20/548604020.db2.gz BTGKFHDLMWZWCC-GOEBONIOSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254168 548604022 /nfs/dbraw/zinc/60/40/22/548604022.db2.gz BTGKFHDLMWZWCC-GOEBONIOSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254168 548604023 /nfs/dbraw/zinc/60/40/23/548604023.db2.gz BTGKFHDLMWZWCC-GOEBONIOSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000195254168 548604025 /nfs/dbraw/zinc/60/40/25/548604025.db2.gz BTGKFHDLMWZWCC-GOEBONIOSA-N 2 2 352.548 2.366 10 0 FEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000245814352 548999331 /nfs/dbraw/zinc/99/93/31/548999331.db2.gz QNMZPUHRGBZPEO-QKNQBKEWSA-N 2 2 372.557 2.354 10 0 FEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000245814352 548999336 /nfs/dbraw/zinc/99/93/36/548999336.db2.gz QNMZPUHRGBZPEO-QKNQBKEWSA-N 2 2 372.557 2.354 10 0 FEAELP C[C@H](CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000247002930 549261768 /nfs/dbraw/zinc/26/17/68/549261768.db2.gz PDJGUJAPQRJVJW-GUDVDZBRSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+]1CCOCC1 ZINC000247002930 549261775 /nfs/dbraw/zinc/26/17/75/549261775.db2.gz PDJGUJAPQRJVJW-GUDVDZBRSA-N 2 2 366.550 2.003 10 0 FEAELP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+]4CCCC[C@H]4C3)c2C1 ZINC000247219831 549300666 /nfs/dbraw/zinc/30/06/66/549300666.db2.gz YJIVFYIMVQZRFT-KRWDZBQOSA-N 2 2 370.497 2.047 10 0 FEAELP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH+]4CCCC[C@H]4C3)c2C1 ZINC000247219831 549300671 /nfs/dbraw/zinc/30/06/71/549300671.db2.gz YJIVFYIMVQZRFT-KRWDZBQOSA-N 2 2 370.497 2.047 10 0 FEAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)c2C1 ZINC000247219831 549300676 /nfs/dbraw/zinc/30/06/76/549300676.db2.gz YJIVFYIMVQZRFT-KRWDZBQOSA-N 2 2 370.497 2.047 10 0 FEAELP CCC[NH+]1Cc2cccc(NC(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)c2C1 ZINC000247219831 549300680 /nfs/dbraw/zinc/30/06/80/549300680.db2.gz YJIVFYIMVQZRFT-KRWDZBQOSA-N 2 2 370.497 2.047 10 0 FEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250198562 549639432 /nfs/dbraw/zinc/63/94/32/549639432.db2.gz ACVMDQQBUNCQGV-OALUTQOASA-N 2 2 359.539 2.473 10 0 FEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250198562 549639435 /nfs/dbraw/zinc/63/94/35/549639435.db2.gz ACVMDQQBUNCQGV-OALUTQOASA-N 2 2 359.539 2.473 10 0 FEAELP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261651824 549738745 /nfs/dbraw/zinc/73/87/45/549738745.db2.gz AOSDNCAGUNGMED-KRWDZBQOSA-N 2 2 367.440 2.068 10 0 FEAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000261668680 549740917 /nfs/dbraw/zinc/74/09/17/549740917.db2.gz HKZMBTGAUNAFNW-WBVHZDCISA-N 2 2 353.422 2.028 10 0 FEAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC000261668680 549740919 /nfs/dbraw/zinc/74/09/19/549740919.db2.gz HKZMBTGAUNAFNW-WBVHZDCISA-N 2 2 353.422 2.028 10 0 FEAELP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262029023 549782355 /nfs/dbraw/zinc/78/23/55/549782355.db2.gz XHJQOAZXOTZIPV-RRFJBIMHSA-N 2 2 359.392 2.269 10 0 FEAELP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000262695558 549840376 /nfs/dbraw/zinc/84/03/76/549840376.db2.gz BDTWYVVEWCRNFU-DJIMGWMZSA-N 2 2 351.441 2.401 10 0 FEAELP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000262695558 549840378 /nfs/dbraw/zinc/84/03/78/549840378.db2.gz BDTWYVVEWCRNFU-DJIMGWMZSA-N 2 2 351.441 2.401 10 0 FEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3ncccn23)[C@@H]1c1cnn(C)c1 ZINC000328631932 553799722 /nfs/dbraw/zinc/79/97/22/553799722.db2.gz KYWFRBUHUIQAMV-QFBILLFUSA-N 2 2 367.501 2.368 10 0 FEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3ncccn23)[C@@H]1c1cnn(C)c1 ZINC000328631932 553799724 /nfs/dbraw/zinc/79/97/24/553799724.db2.gz KYWFRBUHUIQAMV-QFBILLFUSA-N 2 2 367.501 2.368 10 0 FEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnc3ncccn23)[C@@H]1c1cnn(C)c1 ZINC000328631932 553799728 /nfs/dbraw/zinc/79/97/28/553799728.db2.gz KYWFRBUHUIQAMV-QFBILLFUSA-N 2 2 367.501 2.368 10 0 FEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnc3ncccn23)[C@@H]1c1cnn(C)c1 ZINC000328631932 553799732 /nfs/dbraw/zinc/79/97/32/553799732.db2.gz KYWFRBUHUIQAMV-QFBILLFUSA-N 2 2 367.501 2.368 10 0 FEAELP NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000103473691 543109241 /nfs/dbraw/zinc/10/92/41/543109241.db2.gz LDMGVTYXYAMIPZ-ZDUSSCGKSA-N 2 2 373.482 2.005 10 0 FEAELP NC(=O)c1ccsc1NC(=O)CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000103473691 543109243 /nfs/dbraw/zinc/10/92/43/543109243.db2.gz LDMGVTYXYAMIPZ-ZDUSSCGKSA-N 2 2 373.482 2.005 10 0 FEAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000104793075 543144629 /nfs/dbraw/zinc/14/46/29/543144629.db2.gz BNTYGLGVOCVPKB-FQEVSTJZSA-N 2 2 374.529 2.192 10 0 FEAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000104793075 543144630 /nfs/dbraw/zinc/14/46/30/543144630.db2.gz BNTYGLGVOCVPKB-FQEVSTJZSA-N 2 2 374.529 2.192 10 0 FEAELP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102449 544504432 /nfs/dbraw/zinc/50/44/32/544504432.db2.gz OGKQLCLQWKAQLN-MJGOQNOKSA-N 2 2 371.481 2.402 10 0 FEAELP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000151102449 544504439 /nfs/dbraw/zinc/50/44/39/544504439.db2.gz OGKQLCLQWKAQLN-MJGOQNOKSA-N 2 2 371.481 2.402 10 0 FEAELP CCn1ncnc1C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000193336902 328369643 /nfs/dbraw/zinc/36/96/43/328369643.db2.gz COOIRNJRNBXVAR-IBGZPJMESA-N 2 2 357.502 2.175 10 0 FEAELP CCn1ncnc1C[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000193336902 328369644 /nfs/dbraw/zinc/36/96/44/328369644.db2.gz COOIRNJRNBXVAR-IBGZPJMESA-N 2 2 357.502 2.175 10 0 FEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[NH+]2CCOCC2)cc1 ZINC000086364613 325263032 /nfs/dbraw/zinc/26/30/32/325263032.db2.gz MUVBXEODLHWVGO-CVEARBPZSA-N 2 2 371.485 2.262 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(-n3cccn3)cc2)nc[nH+]1 ZINC000109070285 325657681 /nfs/dbraw/zinc/65/76/81/325657681.db2.gz BZYNZFWRTSMUAG-SFHVURJKSA-N 2 2 363.469 2.463 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@H]1C ZINC000117277212 326054499 /nfs/dbraw/zinc/05/44/99/326054499.db2.gz UDPCEKYCWNLLQL-GOSISDBHSA-N 2 2 374.529 2.176 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C[C@H]1C ZINC000117277212 326054500 /nfs/dbraw/zinc/05/45/00/326054500.db2.gz UDPCEKYCWNLLQL-GOSISDBHSA-N 2 2 374.529 2.176 10 0 FEAELP CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000170941950 327108862 /nfs/dbraw/zinc/10/88/62/327108862.db2.gz RWEGCFFPBYNOGA-ZDUSSCGKSA-N 2 2 363.502 2.041 10 0 FEAELP CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000170941950 327108864 /nfs/dbraw/zinc/10/88/64/327108864.db2.gz RWEGCFFPBYNOGA-ZDUSSCGKSA-N 2 2 363.502 2.041 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647391 327151390 /nfs/dbraw/zinc/15/13/90/327151390.db2.gz NHVCJWRBSSEBBD-MRXNPFEDSA-N 2 2 367.453 2.413 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647391 327151391 /nfs/dbraw/zinc/15/13/91/327151391.db2.gz NHVCJWRBSSEBBD-MRXNPFEDSA-N 2 2 367.453 2.413 10 0 FEAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)COC[C@@H]2C)CC1 ZINC000172667652 327214075 /nfs/dbraw/zinc/21/40/75/327214075.db2.gz VINUUUJMDURIMN-OALUTQOASA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)COC[C@@H]2C)CC1 ZINC000172667652 327214076 /nfs/dbraw/zinc/21/40/76/327214076.db2.gz VINUUUJMDURIMN-OALUTQOASA-N 2 2 359.514 2.139 10 0 FEAELP C[C@@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173454643 327258419 /nfs/dbraw/zinc/25/84/19/327258419.db2.gz DJEVXGXRMTZTTQ-APWZRJJASA-N 2 2 371.485 2.079 10 0 FEAELP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173767107 327282730 /nfs/dbraw/zinc/28/27/30/327282730.db2.gz BMKUVBUUWXBRNQ-FQEVSTJZSA-N 2 2 374.529 2.145 10 0 FEAELP C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)c[nH+]2)C[C@@H](C)O1 ZINC000261900590 328828094 /nfs/dbraw/zinc/82/80/94/328828094.db2.gz HQSYQRNQFCIXPB-QWXYKEQDSA-N 2 2 360.502 2.264 10 0 FEAELP COCc1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000182442689 547494069 /nfs/dbraw/zinc/49/40/69/547494069.db2.gz DXQNRNXBTDAPFS-GOSISDBHSA-N 2 2 374.485 2.093 10 0 FEAELP COCc1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)no1 ZINC000182442689 547494075 /nfs/dbraw/zinc/49/40/75/547494075.db2.gz DXQNRNXBTDAPFS-GOSISDBHSA-N 2 2 374.485 2.093 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000195250601 548603667 /nfs/dbraw/zinc/60/36/67/548603667.db2.gz OWZAOOFHJHLVLT-QGZVFWFLSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000195250601 548603671 /nfs/dbraw/zinc/60/36/71/548603671.db2.gz OWZAOOFHJHLVLT-QGZVFWFLSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC(C)CC2)C1 ZINC000195250601 548603675 /nfs/dbraw/zinc/60/36/75/548603675.db2.gz OWZAOOFHJHLVLT-QGZVFWFLSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC(C)CC2)C1 ZINC000195250601 548603680 /nfs/dbraw/zinc/60/36/80/548603680.db2.gz OWZAOOFHJHLVLT-QGZVFWFLSA-N 2 2 364.559 2.464 10 0 FEAELP CC(C)CN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195296701 548615524 /nfs/dbraw/zinc/61/55/24/548615524.db2.gz DQIQZHUJXISYCQ-IBGZPJMESA-N 2 2 358.530 2.482 10 0 FEAELP CC(C)CN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195296701 548615529 /nfs/dbraw/zinc/61/55/29/548615529.db2.gz DQIQZHUJXISYCQ-IBGZPJMESA-N 2 2 358.530 2.482 10 0 FEAELP CC(C)CN(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195296701 548615537 /nfs/dbraw/zinc/61/55/37/548615537.db2.gz DQIQZHUJXISYCQ-IBGZPJMESA-N 2 2 358.530 2.482 10 0 FEAELP CC(C)CN(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195296701 548615543 /nfs/dbraw/zinc/61/55/43/548615543.db2.gz DQIQZHUJXISYCQ-IBGZPJMESA-N 2 2 358.530 2.482 10 0 FEAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765957 548992602 /nfs/dbraw/zinc/99/26/02/548992602.db2.gz JJGGPZXPBOCRHI-JCGIZDLHSA-N 2 2 364.440 2.200 10 0 FEAELP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765957 548992604 /nfs/dbraw/zinc/99/26/04/548992604.db2.gz JJGGPZXPBOCRHI-JCGIZDLHSA-N 2 2 364.440 2.200 10 0 FEAELP C[NH+]1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765957 548992610 /nfs/dbraw/zinc/99/26/10/548992610.db2.gz JJGGPZXPBOCRHI-JCGIZDLHSA-N 2 2 364.440 2.200 10 0 FEAELP C[NH+]1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245765957 548992614 /nfs/dbraw/zinc/99/26/14/548992614.db2.gz JJGGPZXPBOCRHI-JCGIZDLHSA-N 2 2 364.440 2.200 10 0 FEAELP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246176795 549069960 /nfs/dbraw/zinc/06/99/60/549069960.db2.gz UFLJIFGWPLKOKW-RBUKOAKNSA-N 2 2 371.481 2.402 10 0 FEAELP COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000246176795 549069964 /nfs/dbraw/zinc/06/99/64/549069964.db2.gz UFLJIFGWPLKOKW-RBUKOAKNSA-N 2 2 371.481 2.402 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000247012889 549265554 /nfs/dbraw/zinc/26/55/54/549265554.db2.gz FVCVEDDMGOUTCE-AEFFLSMTSA-N 2 2 357.502 2.450 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000247012889 549265560 /nfs/dbraw/zinc/26/55/60/549265560.db2.gz FVCVEDDMGOUTCE-AEFFLSMTSA-N 2 2 357.502 2.450 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1CC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247175883 549294985 /nfs/dbraw/zinc/29/49/85/549294985.db2.gz VPXSMZCPZKNGEW-PMACEKPBSA-N 3 2 356.518 2.325 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1CC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247175883 549294988 /nfs/dbraw/zinc/29/49/88/549294988.db2.gz VPXSMZCPZKNGEW-PMACEKPBSA-N 3 2 356.518 2.325 10 0 FEAELP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000247976765 549396738 /nfs/dbraw/zinc/39/67/38/549396738.db2.gz LBIDHFYXBONUPI-HKUYNNGSSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000247976765 549396740 /nfs/dbraw/zinc/39/67/40/549396740.db2.gz LBIDHFYXBONUPI-HKUYNNGSSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000247976765 549396744 /nfs/dbraw/zinc/39/67/44/549396744.db2.gz LBIDHFYXBONUPI-HKUYNNGSSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000247976765 549396748 /nfs/dbraw/zinc/39/67/48/549396748.db2.gz LBIDHFYXBONUPI-HKUYNNGSSA-N 2 2 366.550 2.003 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000248664034 549479749 /nfs/dbraw/zinc/47/97/49/549479749.db2.gz IYKAAVHGTWIPPV-OALUTQOASA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000248664034 549479752 /nfs/dbraw/zinc/47/97/52/549479752.db2.gz IYKAAVHGTWIPPV-OALUTQOASA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000248664034 549479754 /nfs/dbraw/zinc/47/97/54/549479754.db2.gz IYKAAVHGTWIPPV-OALUTQOASA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@@H]1CCCN1c1cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000248664034 549479757 /nfs/dbraw/zinc/47/97/57/549479757.db2.gz IYKAAVHGTWIPPV-OALUTQOASA-N 2 2 367.497 2.372 10 0 FEAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC000261681303 549742394 /nfs/dbraw/zinc/74/23/94/549742394.db2.gz IKEDYGWJCRBYQL-YZGWKJHDSA-N 2 2 365.477 2.301 10 0 FEAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N[C@@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC000261681303 549742398 /nfs/dbraw/zinc/74/23/98/549742398.db2.gz IKEDYGWJCRBYQL-YZGWKJHDSA-N 2 2 365.477 2.301 10 0 FEAELP COC(=O)[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262018859 549780474 /nfs/dbraw/zinc/78/04/74/549780474.db2.gz VXJPAUBEGQQJMP-CRAIPNDOSA-N 2 2 365.905 2.171 10 0 FEAELP C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277730561 550707372 /nfs/dbraw/zinc/70/73/72/550707372.db2.gz IJYMLNDOXSMAQS-LBPRGKRZSA-N 2 2 369.897 2.345 10 0 FEAELP C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000277730561 550707374 /nfs/dbraw/zinc/70/73/74/550707374.db2.gz IJYMLNDOXSMAQS-LBPRGKRZSA-N 2 2 369.897 2.345 10 0 FEAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2nc3ccccc3n2C)CCC[N@@H+]1C ZINC000284405671 551542492 /nfs/dbraw/zinc/54/24/92/551542492.db2.gz BNOXFOTTXFCUJO-MGPUTAFESA-N 2 2 352.486 2.480 10 0 FEAELP Cn1nccc1[C@H]1[C@H](C[NH2+]Cc2nc3ccccc3n2C)CCC[N@H+]1C ZINC000284405671 551542494 /nfs/dbraw/zinc/54/24/94/551542494.db2.gz BNOXFOTTXFCUJO-MGPUTAFESA-N 2 2 352.486 2.480 10 0 FEAELP Cn1nccc1[C@H]1[C@H](C[N@H+](C)Cc2cccc(C(N)=O)c2)CCC[NH+]1C ZINC000284970408 551679739 /nfs/dbraw/zinc/67/97/39/551679739.db2.gz WXOZPVQZKQZHDX-PKOBYXMFSA-N 2 2 355.486 2.034 10 0 FEAELP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2cccc(C(N)=O)c2)CCC[NH+]1C ZINC000284970408 551679740 /nfs/dbraw/zinc/67/97/40/551679740.db2.gz WXOZPVQZKQZHDX-PKOBYXMFSA-N 2 2 355.486 2.034 10 0 FEAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc(C(N)=O)c2)CCC[N@@H+]1C ZINC000284970408 551679742 /nfs/dbraw/zinc/67/97/42/551679742.db2.gz WXOZPVQZKQZHDX-PKOBYXMFSA-N 2 2 355.486 2.034 10 0 FEAELP Cn1nccc1[C@H]1[C@H](C[NH+](C)Cc2cccc(C(N)=O)c2)CCC[N@H+]1C ZINC000284970408 551679744 /nfs/dbraw/zinc/67/97/44/551679744.db2.gz WXOZPVQZKQZHDX-PKOBYXMFSA-N 2 2 355.486 2.034 10 0 FEAELP CCCc1cc(C(=O)N(Cc2[nH+]ccn2CC)[C@@H]2CC23CC[NH2+]CC3)[nH]n1 ZINC000328627853 553798367 /nfs/dbraw/zinc/79/83/67/553798367.db2.gz GQNYEXZZZHPAEC-QGZVFWFLSA-N 2 2 370.501 2.363 10 0 FEAELP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000048216189 540351695 /nfs/dbraw/zinc/35/16/95/540351695.db2.gz HMXYHKWSVIFOKO-QGZVFWFLSA-N 2 2 362.518 2.048 10 0 FEAELP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCOCC1 ZINC000067457608 541466653 /nfs/dbraw/zinc/46/66/53/541466653.db2.gz BHYDMAMZYSYCBT-HKUYNNGSSA-N 2 2 366.550 2.051 10 0 FEAELP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+]1CCOCC1 ZINC000067457608 541466656 /nfs/dbraw/zinc/46/66/56/541466656.db2.gz BHYDMAMZYSYCBT-HKUYNNGSSA-N 2 2 366.550 2.051 10 0 FEAELP COCC[N@H+](C)CCCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073721207 541991166 /nfs/dbraw/zinc/99/11/66/541991166.db2.gz LYNYXKXIAVQTIA-MRXNPFEDSA-N 2 2 359.474 2.201 10 0 FEAELP COCC[N@@H+](C)CCCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073721207 541991171 /nfs/dbraw/zinc/99/11/71/541991171.db2.gz LYNYXKXIAVQTIA-MRXNPFEDSA-N 2 2 359.474 2.201 10 0 FEAELP COC(=O)CCn1nc(C)c(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812649 542888006 /nfs/dbraw/zinc/88/80/06/542888006.db2.gz NOUWUIJLAGTWAO-KRWDZBQOSA-N 2 2 371.485 2.392 10 0 FEAELP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000092812649 542888010 /nfs/dbraw/zinc/88/80/10/542888010.db2.gz NOUWUIJLAGTWAO-KRWDZBQOSA-N 2 2 371.485 2.392 10 0 FEAELP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106129338 543205581 /nfs/dbraw/zinc/20/55/81/543205581.db2.gz UCYZMCWQADRVDS-UHFFFAOYSA-N 2 2 356.470 2.266 10 0 FEAELP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106129338 543205585 /nfs/dbraw/zinc/20/55/85/543205585.db2.gz UCYZMCWQADRVDS-UHFFFAOYSA-N 2 2 356.470 2.266 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000106212448 543218722 /nfs/dbraw/zinc/21/87/22/543218722.db2.gz VMIMOYYSQKRNEH-MRXNPFEDSA-N 2 2 362.499 2.061 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000106212448 543218725 /nfs/dbraw/zinc/21/87/25/543218725.db2.gz VMIMOYYSQKRNEH-MRXNPFEDSA-N 2 2 362.499 2.061 10 0 FEAELP C[NH+](C)C[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)c2)C1 ZINC000114479805 543519916 /nfs/dbraw/zinc/51/99/16/543519916.db2.gz YFGUFBCUYNIOBA-FGZHOGPDSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)c2)C1 ZINC000114479805 543519922 /nfs/dbraw/zinc/51/99/22/543519922.db2.gz YFGUFBCUYNIOBA-FGZHOGPDSA-N 4 2 358.574 2.454 10 0 FEAELP CCC[C@@H](C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1)[NH+](C)C ZINC000130987638 544172986 /nfs/dbraw/zinc/17/29/86/544172986.db2.gz DUEXVVGADBOZCQ-HOTGVXAUSA-N 2 2 353.532 2.276 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000137896998 544393489 /nfs/dbraw/zinc/39/34/89/544393489.db2.gz VGEDQSWOTVXAJP-CYBMUJFWSA-N 2 2 362.503 2.444 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000137896998 544393490 /nfs/dbraw/zinc/39/34/90/544393490.db2.gz VGEDQSWOTVXAJP-CYBMUJFWSA-N 2 2 362.503 2.444 10 0 FEAELP C[C@@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000151804812 544582269 /nfs/dbraw/zinc/58/22/69/544582269.db2.gz OYJPVNRCDZPAMW-SFHVURJKSA-N 2 2 366.550 2.005 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc3c(c2)OCCO3)nc[nH+]1 ZINC000107317877 325624254 /nfs/dbraw/zinc/62/42/54/325624254.db2.gz IRWGNEDDQCXPGC-OAHLLOKOSA-N 2 2 355.442 2.048 10 0 FEAELP COCc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000121039456 326308489 /nfs/dbraw/zinc/30/84/89/326308489.db2.gz RRNROFMSXXXWBN-OAQYLSRUSA-N 2 2 361.530 2.060 10 0 FEAELP COCc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000121039456 326308491 /nfs/dbraw/zinc/30/84/91/326308491.db2.gz RRNROFMSXXXWBN-OAQYLSRUSA-N 2 2 361.530 2.060 10 0 FEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000171078340 327116072 /nfs/dbraw/zinc/11/60/72/327116072.db2.gz QHDURURSHMYRPN-NUJGCVRESA-N 2 2 360.502 2.464 10 0 FEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171646249 327151251 /nfs/dbraw/zinc/15/12/51/327151251.db2.gz URJBVBBHMMHUKO-OAHLLOKOSA-N 2 2 370.453 2.430 10 0 FEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C ZINC000171646249 327151253 /nfs/dbraw/zinc/15/12/53/327151253.db2.gz URJBVBBHMMHUKO-OAHLLOKOSA-N 2 2 370.453 2.430 10 0 FEAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2[C@H](C)COC[C@@H]2C)CC1 ZINC000172667650 327214014 /nfs/dbraw/zinc/21/40/14/327214014.db2.gz VINUUUJMDURIMN-KDURUIRLSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2[C@H](C)COC[C@@H]2C)CC1 ZINC000172667650 327214015 /nfs/dbraw/zinc/21/40/15/327214015.db2.gz VINUUUJMDURIMN-KDURUIRLSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)COC[C@@H]2C)CC1 ZINC000172667650 327214016 /nfs/dbraw/zinc/21/40/16/327214016.db2.gz VINUUUJMDURIMN-KDURUIRLSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)COC[C@@H]2C)CC1 ZINC000172667650 327214017 /nfs/dbraw/zinc/21/40/17/327214017.db2.gz VINUUUJMDURIMN-KDURUIRLSA-N 2 2 359.514 2.139 10 0 FEAELP C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173206040 327241195 /nfs/dbraw/zinc/24/11/95/327241195.db2.gz ZQWXOQHUEDIHSM-MRXNPFEDSA-N 2 2 371.485 2.343 10 0 FEAELP COc1cccc(Cl)c1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261828425 328822454 /nfs/dbraw/zinc/82/24/54/328822454.db2.gz VCSQVHLKXNQWRN-UHFFFAOYSA-N 2 2 361.877 2.423 10 0 FEAELP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178310954 546773632 /nfs/dbraw/zinc/77/36/32/546773632.db2.gz KRYYFRBQKUJCQF-MOPGFXCFSA-N 2 2 372.469 2.054 10 0 FEAELP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178310954 546773638 /nfs/dbraw/zinc/77/36/38/546773638.db2.gz KRYYFRBQKUJCQF-MOPGFXCFSA-N 2 2 372.469 2.054 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000178316666 546774493 /nfs/dbraw/zinc/77/44/93/546774493.db2.gz PBYNMRUDBRORHU-QGZVFWFLSA-N 2 2 351.458 2.449 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000178316666 546774497 /nfs/dbraw/zinc/77/44/97/546774497.db2.gz PBYNMRUDBRORHU-QGZVFWFLSA-N 2 2 351.458 2.449 10 0 FEAELP COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178327247 546775656 /nfs/dbraw/zinc/77/56/56/546775656.db2.gz PSYPNVCKXXOSIG-ZDUSSCGKSA-N 2 2 362.455 2.143 10 0 FEAELP COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178327247 546775661 /nfs/dbraw/zinc/77/56/61/546775661.db2.gz PSYPNVCKXXOSIG-ZDUSSCGKSA-N 2 2 362.455 2.143 10 0 FEAELP CCC[C@H](C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1)[NH+](C)C ZINC000181721029 547367159 /nfs/dbraw/zinc/36/71/59/547367159.db2.gz QXCHNBLPXLNSGA-GOSISDBHSA-N 2 2 371.529 2.326 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000183060713 547594379 /nfs/dbraw/zinc/59/43/79/547594379.db2.gz HQFBQTPHXAOAFV-GOSISDBHSA-N 2 2 351.458 2.317 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000183060713 547594384 /nfs/dbraw/zinc/59/43/84/547594384.db2.gz HQFBQTPHXAOAFV-GOSISDBHSA-N 2 2 351.458 2.317 10 0 FEAELP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247019177 549266607 /nfs/dbraw/zinc/26/66/07/549266607.db2.gz LSEXLIGOHVMKOW-ZWKOTPCHSA-N 2 2 359.470 2.495 10 0 FEAELP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247289350 549311934 /nfs/dbraw/zinc/31/19/34/549311934.db2.gz DWYBJRHGZJKPOE-RBUKOAKNSA-N 2 2 371.481 2.402 10 0 FEAELP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247289350 549311937 /nfs/dbraw/zinc/31/19/37/549311937.db2.gz DWYBJRHGZJKPOE-RBUKOAKNSA-N 2 2 371.481 2.402 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COCC(C)C)C1 ZINC000248661537 549479802 /nfs/dbraw/zinc/47/98/02/549479802.db2.gz XGBNAUKCWGPTRC-IAGOWNOFSA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COCC(C)C)C1 ZINC000248661537 549479804 /nfs/dbraw/zinc/47/98/04/549479804.db2.gz XGBNAUKCWGPTRC-IAGOWNOFSA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCC(C)C)C1 ZINC000248661537 549479807 /nfs/dbraw/zinc/47/98/07/549479807.db2.gz XGBNAUKCWGPTRC-IAGOWNOFSA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCC(C)C)C1 ZINC000248661537 549479810 /nfs/dbraw/zinc/47/98/10/549479810.db2.gz XGBNAUKCWGPTRC-IAGOWNOFSA-N 2 2 355.548 2.239 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261832044 549760717 /nfs/dbraw/zinc/76/07/17/549760717.db2.gz SZYXZIVJOFYGRC-XLIONFOSSA-N 2 2 366.465 2.258 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261832044 549760720 /nfs/dbraw/zinc/76/07/20/549760720.db2.gz SZYXZIVJOFYGRC-XLIONFOSSA-N 2 2 366.465 2.258 10 0 FEAELP CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000263528516 549906823 /nfs/dbraw/zinc/90/68/23/549906823.db2.gz VHNVWUJWZHWNLG-HSFDUWRESA-N 2 2 359.514 2.424 10 0 FEAELP CC[N@@H+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000263528516 549906826 /nfs/dbraw/zinc/90/68/26/549906826.db2.gz VHNVWUJWZHWNLG-HSFDUWRESA-N 2 2 359.514 2.424 10 0 FEAELP CC[NH+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000263528516 549906828 /nfs/dbraw/zinc/90/68/28/549906828.db2.gz VHNVWUJWZHWNLG-HSFDUWRESA-N 2 2 359.514 2.424 10 0 FEAELP CC[NH+](CC(=O)[O-])C1CC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263528516 549906831 /nfs/dbraw/zinc/90/68/31/549906831.db2.gz VHNVWUJWZHWNLG-HSFDUWRESA-N 2 2 359.514 2.424 10 0 FEAELP Cc1ccc([C@H](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)[NH+](C)C)cc1 ZINC000301281514 553638692 /nfs/dbraw/zinc/63/86/92/553638692.db2.gz XURIFCCOHXFFGX-ROUUACIJSA-N 2 2 355.486 2.461 10 0 FEAELP COCC[N@@H+]1CCC[C@]2(CC[NH+](Cc3cccn3-c3ncccn3)C2)C1 ZINC000012207745 539549335 /nfs/dbraw/zinc/54/93/35/539549335.db2.gz IMZSKYSZLSPPRS-FQEVSTJZSA-N 2 2 355.486 2.202 10 0 FEAELP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3cccn3-c3ncccn3)C2)C1 ZINC000012207745 539549338 /nfs/dbraw/zinc/54/93/38/539549338.db2.gz IMZSKYSZLSPPRS-FQEVSTJZSA-N 2 2 355.486 2.202 10 0 FEAELP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3cccn3-c3ncccn3)C2)C1 ZINC000012207745 539549341 /nfs/dbraw/zinc/54/93/41/539549341.db2.gz IMZSKYSZLSPPRS-FQEVSTJZSA-N 2 2 355.486 2.202 10 0 FEAELP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccn3-c3ncccn3)C2)C1 ZINC000012207745 539549343 /nfs/dbraw/zinc/54/93/43/539549343.db2.gz IMZSKYSZLSPPRS-FQEVSTJZSA-N 2 2 355.486 2.202 10 0 FEAELP O[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)C[N@@H+]1CCc2ccccc2C1 ZINC000102421620 543069775 /nfs/dbraw/zinc/06/97/75/543069775.db2.gz QHVZCQKUHGPWMU-NRFANRHFSA-N 2 2 350.462 2.471 10 0 FEAELP O[C@@H](C[NH2+]CC1=Cc2ccccc2OC1)C[N@H+]1CCc2ccccc2C1 ZINC000102421620 543069777 /nfs/dbraw/zinc/06/97/77/543069777.db2.gz QHVZCQKUHGPWMU-NRFANRHFSA-N 2 2 350.462 2.471 10 0 FEAELP NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473692 543109452 /nfs/dbraw/zinc/10/94/52/543109452.db2.gz LDMGVTYXYAMIPZ-CYBMUJFWSA-N 2 2 373.482 2.005 10 0 FEAELP NC(=O)c1ccsc1NC(=O)CC[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000103473692 543109454 /nfs/dbraw/zinc/10/94/54/543109454.db2.gz LDMGVTYXYAMIPZ-CYBMUJFWSA-N 2 2 373.482 2.005 10 0 FEAELP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCOCC1 ZINC000105124239 543161299 /nfs/dbraw/zinc/16/12/99/543161299.db2.gz CVSVQDSSCVZLMX-SFHVURJKSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCOCC1 ZINC000105124239 543161302 /nfs/dbraw/zinc/16/13/02/543161302.db2.gz CVSVQDSSCVZLMX-SFHVURJKSA-N 2 2 374.529 2.013 10 0 FEAELP C[N@H+](CCC(=O)Nc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128449 543205862 /nfs/dbraw/zinc/20/58/62/543205862.db2.gz VVHAJWNLGIBNNW-UHFFFAOYSA-N 2 2 373.476 2.447 10 0 FEAELP C[N@@H+](CCC(=O)Nc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128449 543205864 /nfs/dbraw/zinc/20/58/64/543205864.db2.gz VVHAJWNLGIBNNW-UHFFFAOYSA-N 2 2 373.476 2.447 10 0 FEAELP CC(C)N(C(=O)[C@H](C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)C(C)C ZINC000106129776 543206093 /nfs/dbraw/zinc/20/60/93/543206093.db2.gz NTJHKMMXXIOUJG-SFHVURJKSA-N 2 2 363.550 2.313 10 0 FEAELP CC(C)N(C(=O)[C@H](C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)C(C)C ZINC000106129776 543206094 /nfs/dbraw/zinc/20/60/94/543206094.db2.gz NTJHKMMXXIOUJG-SFHVURJKSA-N 2 2 363.550 2.313 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000106216796 543219332 /nfs/dbraw/zinc/21/93/32/543219332.db2.gz USLASFKRSBAAMJ-QGZVFWFLSA-N 2 2 356.470 2.407 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2OC)C1 ZINC000106216796 543219334 /nfs/dbraw/zinc/21/93/34/543219334.db2.gz USLASFKRSBAAMJ-QGZVFWFLSA-N 2 2 356.470 2.407 10 0 FEAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000106459759 543230855 /nfs/dbraw/zinc/23/08/55/543230855.db2.gz NUXKCXJRSOEAME-LJQANCHMSA-N 2 2 363.465 2.365 10 0 FEAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000108362773 543287576 /nfs/dbraw/zinc/28/75/76/543287576.db2.gz QVAQGJULLFLHPR-SFHVURJKSA-N 2 2 368.481 2.483 10 0 FEAELP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000108362773 543287578 /nfs/dbraw/zinc/28/75/78/543287578.db2.gz QVAQGJULLFLHPR-SFHVURJKSA-N 2 2 368.481 2.483 10 0 FEAELP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC000113590946 543491629 /nfs/dbraw/zinc/49/16/29/543491629.db2.gz MJWMXCBRCDTAOF-SJORKVTESA-N 2 2 362.518 2.136 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1c(F)cccc1F ZINC000115842424 543589849 /nfs/dbraw/zinc/58/98/49/543589849.db2.gz IHXKPRVCHOMAMP-PBHICJAKSA-N 2 2 366.456 2.447 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1c(F)cccc1F ZINC000115842424 543589850 /nfs/dbraw/zinc/58/98/50/543589850.db2.gz IHXKPRVCHOMAMP-PBHICJAKSA-N 2 2 366.456 2.447 10 0 FEAELP CCOCCN1CC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000247536128 549352398 /nfs/dbraw/zinc/35/23/98/549352398.db2.gz CMLRGUDZIKRRDX-RTBURBONSA-N 2 2 374.529 2.057 10 0 FEAELP CCOCCN1CC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000247536128 549352402 /nfs/dbraw/zinc/35/24/02/549352402.db2.gz CMLRGUDZIKRRDX-RTBURBONSA-N 2 2 374.529 2.057 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000247542709 549354374 /nfs/dbraw/zinc/35/43/74/549354374.db2.gz YOCXLLTYCBGGBZ-ZBFHGGJFSA-N 2 2 357.433 2.390 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000247542709 549354377 /nfs/dbraw/zinc/35/43/77/549354377.db2.gz YOCXLLTYCBGGBZ-ZBFHGGJFSA-N 2 2 357.433 2.390 10 0 FEAELP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)CCCC2)no1 ZINC000236942575 328498986 /nfs/dbraw/zinc/49/89/86/328498986.db2.gz BQVDFJXPKCLEGQ-CABCVRRESA-N 2 2 363.506 2.314 10 0 FEAELP c1cncc(C[NH+]2CCC([NH2+][C@H]3CCCN(c4cccnn4)C3)CC2)c1 ZINC000089732365 325328903 /nfs/dbraw/zinc/32/89/03/325328903.db2.gz XVNKVSFBVIFAGY-IBGZPJMESA-N 2 2 352.486 2.095 10 0 FEAELP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000119543223 326174034 /nfs/dbraw/zinc/17/40/34/326174034.db2.gz LBIDHFYXBONUPI-IEBWSBKVSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000119543223 326174036 /nfs/dbraw/zinc/17/40/36/326174036.db2.gz LBIDHFYXBONUPI-IEBWSBKVSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000119543223 326174040 /nfs/dbraw/zinc/17/40/40/326174040.db2.gz LBIDHFYXBONUPI-IEBWSBKVSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000119543223 326174041 /nfs/dbraw/zinc/17/40/41/326174041.db2.gz LBIDHFYXBONUPI-IEBWSBKVSA-N 2 2 366.550 2.003 10 0 FEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1cc(F)cc(F)c1 ZINC000171641640 327150684 /nfs/dbraw/zinc/15/06/84/327150684.db2.gz BKIOBVUJMBLHSO-CQSZACIVSA-N 2 2 360.408 2.410 10 0 FEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NCc1cc(F)cc(F)c1 ZINC000171641640 327150686 /nfs/dbraw/zinc/15/06/86/327150686.db2.gz BKIOBVUJMBLHSO-CQSZACIVSA-N 2 2 360.408 2.410 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647332 327151298 /nfs/dbraw/zinc/15/12/98/327151298.db2.gz QHFBWLKXOVCITP-INIZCTEOSA-N 2 2 367.453 2.413 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171647332 327151299 /nfs/dbraw/zinc/15/12/99/327151299.db2.gz QHFBWLKXOVCITP-INIZCTEOSA-N 2 2 367.453 2.413 10 0 FEAELP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173578741 327268450 /nfs/dbraw/zinc/26/84/50/327268450.db2.gz AYSCEACKGMOANB-INIZCTEOSA-N 2 2 359.474 2.201 10 0 FEAELP COCCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173578741 327268451 /nfs/dbraw/zinc/26/84/51/327268451.db2.gz AYSCEACKGMOANB-INIZCTEOSA-N 2 2 359.474 2.201 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1cccc(S(C)(=O)=O)c1 ZINC000178325260 546776198 /nfs/dbraw/zinc/77/61/98/546776198.db2.gz LXWWBXAPVJYTFJ-INIZCTEOSA-N 2 2 363.483 2.138 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1cccc(S(C)(=O)=O)c1 ZINC000178325260 546776200 /nfs/dbraw/zinc/77/62/00/546776200.db2.gz LXWWBXAPVJYTFJ-INIZCTEOSA-N 2 2 363.483 2.138 10 0 FEAELP c1cc(C2CC[NH+](CCOCC[NH+]3CCC(c4cc[nH]n4)CC3)CC2)[nH]n1 ZINC000178617160 546821334 /nfs/dbraw/zinc/82/13/34/546821334.db2.gz RSONEUYPOVQYNU-UHFFFAOYSA-N 2 2 372.517 2.208 10 0 FEAELP COc1cc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc(OC)c1 ZINC000178749375 546842772 /nfs/dbraw/zinc/84/27/72/546842772.db2.gz PKYQLQQAWYFTSI-INIZCTEOSA-N 2 2 358.442 2.312 10 0 FEAELP COc1cc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc(OC)c1 ZINC000178749375 546842778 /nfs/dbraw/zinc/84/27/78/546842778.db2.gz PKYQLQQAWYFTSI-INIZCTEOSA-N 2 2 358.442 2.312 10 0 FEAELP CCC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000180540578 547126668 /nfs/dbraw/zinc/12/66/68/547126668.db2.gz KMRVDYGNFRBWOB-VQTJNVASSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000180540578 547126674 /nfs/dbraw/zinc/12/66/74/547126674.db2.gz KMRVDYGNFRBWOB-VQTJNVASSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000180540578 547126677 /nfs/dbraw/zinc/12/66/77/547126677.db2.gz KMRVDYGNFRBWOB-VQTJNVASSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000180540578 547126683 /nfs/dbraw/zinc/12/66/83/547126683.db2.gz KMRVDYGNFRBWOB-VQTJNVASSA-N 2 2 374.529 2.013 10 0 FEAELP Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1Oc1cc[nH+]cc1 ZINC000194827516 548537248 /nfs/dbraw/zinc/53/72/48/548537248.db2.gz GXNFPQYZYBZWSZ-MRXNPFEDSA-N 2 2 368.437 2.283 10 0 FEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1 ZINC000195272857 548609092 /nfs/dbraw/zinc/60/90/92/548609092.db2.gz NGZUCPJVOOWCFB-OAQYLSRUSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccc(CNC(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1 ZINC000195272857 548609096 /nfs/dbraw/zinc/60/90/96/548609096.db2.gz NGZUCPJVOOWCFB-OAQYLSRUSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195272857 548609101 /nfs/dbraw/zinc/60/91/01/548609101.db2.gz NGZUCPJVOOWCFB-OAQYLSRUSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1 ZINC000195272857 548609106 /nfs/dbraw/zinc/60/91/06/548609106.db2.gz NGZUCPJVOOWCFB-OAQYLSRUSA-N 2 2 366.509 2.460 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1c(F)cccc1F ZINC000247149336 549291245 /nfs/dbraw/zinc/29/12/45/549291245.db2.gz IHXKPRVCHOMAMP-YOEHRIQHSA-N 2 2 366.456 2.447 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1c(F)cccc1F ZINC000247149336 549291250 /nfs/dbraw/zinc/29/12/50/549291250.db2.gz IHXKPRVCHOMAMP-YOEHRIQHSA-N 2 2 366.456 2.447 10 0 FEAELP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000247976767 549396304 /nfs/dbraw/zinc/39/63/04/549396304.db2.gz LBIDHFYXBONUPI-MJGOQNOKSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC1 ZINC000247976767 549396307 /nfs/dbraw/zinc/39/63/07/549396307.db2.gz LBIDHFYXBONUPI-MJGOQNOKSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000247976767 549396310 /nfs/dbraw/zinc/39/63/10/549396310.db2.gz LBIDHFYXBONUPI-MJGOQNOKSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000247976767 549396313 /nfs/dbraw/zinc/39/63/13/549396313.db2.gz LBIDHFYXBONUPI-MJGOQNOKSA-N 2 2 366.550 2.003 10 0 FEAELP COc1cc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(OC)c1 ZINC000261768675 549753450 /nfs/dbraw/zinc/75/34/50/549753450.db2.gz OQKFVSFGKDMCAG-UZLBHIALSA-N 2 2 369.465 2.317 10 0 FEAELP COc1cc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc(OC)c1 ZINC000261768675 549753451 /nfs/dbraw/zinc/75/34/51/549753451.db2.gz OQKFVSFGKDMCAG-UZLBHIALSA-N 2 2 369.465 2.317 10 0 FEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261999779 549779084 /nfs/dbraw/zinc/77/90/84/549779084.db2.gz UJHAVTKWLJBMMD-QYRPDUKASA-N 3 2 358.530 2.354 10 0 FEAELP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000262695559 549840357 /nfs/dbraw/zinc/84/03/57/549840357.db2.gz BDTWYVVEWCRNFU-HYVNUMGLSA-N 2 2 351.441 2.401 10 0 FEAELP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CC(F)(F)C[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000262695559 549840360 /nfs/dbraw/zinc/84/03/60/549840360.db2.gz BDTWYVVEWCRNFU-HYVNUMGLSA-N 2 2 351.441 2.401 10 0 FEAELP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262998608 549870242 /nfs/dbraw/zinc/87/02/42/549870242.db2.gz OMIUSBWCVMEXOL-IRXDYDNUSA-N 2 2 351.441 2.354 10 0 FEAELP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262998608 549870244 /nfs/dbraw/zinc/87/02/44/549870244.db2.gz OMIUSBWCVMEXOL-IRXDYDNUSA-N 2 2 351.441 2.354 10 0 FEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000302189220 553709513 /nfs/dbraw/zinc/70/95/13/553709513.db2.gz XRHGUBRRZFBYPL-NEWSRXKRSA-N 2 2 367.497 2.370 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000302189220 553709514 /nfs/dbraw/zinc/70/95/14/553709514.db2.gz XRHGUBRRZFBYPL-NEWSRXKRSA-N 2 2 367.497 2.370 10 0 FEAELP CCn1cc[nH+]c1CN(C(=O)[C@H]([NH3+])c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000583621389 570810874 /nfs/dbraw/zinc/81/08/74/570810874.db2.gz AFGHQWUQQGVYRY-PKOBYXMFSA-N 3 2 367.497 2.074 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000068095493 541548139 /nfs/dbraw/zinc/54/81/39/541548139.db2.gz XIYCQXJLSPPSHL-INIZCTEOSA-N 2 2 370.497 2.310 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000068095493 541548140 /nfs/dbraw/zinc/54/81/40/541548140.db2.gz XIYCQXJLSPPSHL-INIZCTEOSA-N 2 2 370.497 2.310 10 0 FEAELP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3C[NH+](C)CCO3)cc2)C1 ZINC000104787342 543143980 /nfs/dbraw/zinc/14/39/80/543143980.db2.gz SLDMGCILWWBPQY-YLJYHZDGSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3C[NH+](C)CCO3)cc2)C1 ZINC000104787342 543143982 /nfs/dbraw/zinc/14/39/82/543143982.db2.gz SLDMGCILWWBPQY-YLJYHZDGSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)C1 ZINC000104787342 543143983 /nfs/dbraw/zinc/14/39/83/543143983.db2.gz SLDMGCILWWBPQY-YLJYHZDGSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC000104787342 543143984 /nfs/dbraw/zinc/14/39/84/543143984.db2.gz SLDMGCILWWBPQY-YLJYHZDGSA-N 2 2 374.529 2.048 10 0 FEAELP CCC(CC)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105104755 543159257 /nfs/dbraw/zinc/15/92/57/543159257.db2.gz LVZNQCHNEFADQK-MOPGFXCFSA-N 2 2 366.550 2.003 10 0 FEAELP CCC(CC)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105104755 543159262 /nfs/dbraw/zinc/15/92/62/543159262.db2.gz LVZNQCHNEFADQK-MOPGFXCFSA-N 2 2 366.550 2.003 10 0 FEAELP Cc1cccc2nc(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)cn21 ZINC000106128568 543205907 /nfs/dbraw/zinc/20/59/07/543205907.db2.gz HCULTSZGWQOICC-UHFFFAOYSA-N 2 2 352.486 2.436 10 0 FEAELP Cc1cccc2nc(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)cn21 ZINC000106128568 543205911 /nfs/dbraw/zinc/20/59/11/543205911.db2.gz HCULTSZGWQOICC-UHFFFAOYSA-N 2 2 352.486 2.436 10 0 FEAELP CCC[C@H](C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)[NH+](C)C ZINC000130973015 544172798 /nfs/dbraw/zinc/17/27/98/544172798.db2.gz DLWOWQAOSYYFLS-HZPDHXFCSA-N 2 2 353.532 2.310 10 0 FEAELP CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000190499907 328212100 /nfs/dbraw/zinc/21/21/00/328212100.db2.gz BGBAAIIUYRZMEZ-QGZVFWFLSA-N 2 2 350.507 2.401 10 0 FEAELP CN(CC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000190499907 328212101 /nfs/dbraw/zinc/21/21/01/328212101.db2.gz BGBAAIIUYRZMEZ-QGZVFWFLSA-N 2 2 350.507 2.401 10 0 FEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000106431896 325598320 /nfs/dbraw/zinc/59/83/20/325598320.db2.gz GHHRJYXIOOZVQC-IBGZPJMESA-N 2 2 352.482 2.340 10 0 FEAELP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1CCOC ZINC000117426102 326060728 /nfs/dbraw/zinc/06/07/28/326060728.db2.gz GICAFIRVSXCUQW-YLJYHZDGSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+]1CCOC ZINC000117426102 326060732 /nfs/dbraw/zinc/06/07/32/326060732.db2.gz GICAFIRVSXCUQW-YLJYHZDGSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@@H]1CN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1CCOC ZINC000117426102 326060733 /nfs/dbraw/zinc/06/07/33/326060733.db2.gz GICAFIRVSXCUQW-YLJYHZDGSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@@H]1CN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+]1CCOC ZINC000117426102 326060736 /nfs/dbraw/zinc/06/07/36/326060736.db2.gz GICAFIRVSXCUQW-YLJYHZDGSA-N 2 2 359.514 2.002 10 0 FEAELP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000119543329 326174011 /nfs/dbraw/zinc/17/40/11/326174011.db2.gz LBIDHFYXBONUPI-PKOBYXMFSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC1 ZINC000119543329 326174015 /nfs/dbraw/zinc/17/40/15/326174015.db2.gz LBIDHFYXBONUPI-PKOBYXMFSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000119543329 326174018 /nfs/dbraw/zinc/17/40/18/326174018.db2.gz LBIDHFYXBONUPI-PKOBYXMFSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000119543329 326174020 /nfs/dbraw/zinc/17/40/20/326174020.db2.gz LBIDHFYXBONUPI-PKOBYXMFSA-N 2 2 366.550 2.003 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000168168678 327086426 /nfs/dbraw/zinc/08/64/26/327086426.db2.gz SVYIJEJFKDQVBO-HRCADAONSA-N 2 2 351.516 2.097 10 0 FEAELP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@H]([NH+](C)C)C3)c2C1 ZINC000170856401 327102891 /nfs/dbraw/zinc/10/28/91/327102891.db2.gz XIIDLDUQTSODGW-HNNXBMFYSA-N 2 2 352.482 2.389 10 0 FEAELP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N3CC[C@H]([NH+](C)C)C3)c2C1 ZINC000170856401 327102893 /nfs/dbraw/zinc/10/28/93/327102893.db2.gz XIIDLDUQTSODGW-HNNXBMFYSA-N 2 2 352.482 2.389 10 0 FEAELP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCCC1 ZINC000173795462 327284693 /nfs/dbraw/zinc/28/46/93/327284693.db2.gz WFFWWLIFNGLMLE-RTBURBONSA-N 2 2 366.550 2.003 10 0 FEAELP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000175600188 327401707 /nfs/dbraw/zinc/40/17/07/327401707.db2.gz PXAGAEQECRMZGI-IAGOWNOFSA-N 2 2 357.458 2.487 10 0 FEAELP COc1cccc([C@H](CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)[NH+](C)C)c1 ZINC000177353978 327516139 /nfs/dbraw/zinc/51/61/39/327516139.db2.gz QAXOMTLEWLZLNZ-MJGOQNOKSA-N 2 2 371.485 2.369 10 0 FEAELP [NH3+]C[C@H]1CCC[C@H]1C(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000261848432 328824232 /nfs/dbraw/zinc/82/42/32/328824232.db2.gz VNNMVOROFSKCCJ-CRAIPNDOSA-N 2 2 365.905 2.238 10 0 FEAELP Cc1nc(N(C)C2CC[NH+](CCn3cccn3)CC2)c2c([nH+]1)CCCC2 ZINC000272865838 329819164 /nfs/dbraw/zinc/81/91/64/329819164.db2.gz MYCOLBCCYRUVTR-UHFFFAOYSA-N 2 2 354.502 2.461 10 0 FEAELP Cc1ccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+]2CCOCC2)s1 ZINC000186383140 548126981 /nfs/dbraw/zinc/12/69/81/548126981.db2.gz RIKFXUNTFYNPOO-MRXNPFEDSA-N 2 2 368.547 2.023 10 0 FEAELP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000245474073 548930981 /nfs/dbraw/zinc/93/09/81/548930981.db2.gz QNMRGGIHRDHQPR-GVDBMIGSSA-N 2 2 374.533 2.256 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246781501 549211839 /nfs/dbraw/zinc/21/18/39/549211839.db2.gz CKDBSUMNTOBNQN-MISYRCLQSA-N 2 2 374.529 2.088 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)C1 ZINC000246781501 549211844 /nfs/dbraw/zinc/21/18/44/549211844.db2.gz CKDBSUMNTOBNQN-MISYRCLQSA-N 2 2 374.529 2.088 10 0 FEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000248651346 549477663 /nfs/dbraw/zinc/47/76/63/549477663.db2.gz MVBRSTBTHVCCAN-NSHGMRRFSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000248651346 549477668 /nfs/dbraw/zinc/47/76/68/549477668.db2.gz MVBRSTBTHVCCAN-NSHGMRRFSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000248651346 549477672 /nfs/dbraw/zinc/47/76/72/549477672.db2.gz MVBRSTBTHVCCAN-NSHGMRRFSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000248651346 549477676 /nfs/dbraw/zinc/47/76/76/549477676.db2.gz MVBRSTBTHVCCAN-NSHGMRRFSA-N 2 2 358.530 2.340 10 0 FEAELP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261701635 549745110 /nfs/dbraw/zinc/74/51/10/549745110.db2.gz JSAFVCOUJNHXBB-NXHRZFHOSA-N 2 2 355.486 2.038 10 0 FEAELP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261701635 549745113 /nfs/dbraw/zinc/74/51/13/549745113.db2.gz JSAFVCOUJNHXBB-NXHRZFHOSA-N 2 2 355.486 2.038 10 0 FEAELP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)c2)CC1 ZINC000263184060 549883934 /nfs/dbraw/zinc/88/39/34/549883934.db2.gz HBBVZPVEJZZPAQ-MRXNPFEDSA-N 2 2 352.429 2.153 10 0 FEAELP C[NH+](C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccc(Cl)s1 ZINC000169790917 672322681 /nfs/dbraw/zinc/32/26/81/672322681.db2.gz VAHDDBKDRKYGKT-TZMCWYRMSA-N 2 2 371.934 2.172 10 0 FEAELP C[NH+](C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccc(Cl)s1 ZINC000169790917 672322683 /nfs/dbraw/zinc/32/26/83/672322683.db2.gz VAHDDBKDRKYGKT-TZMCWYRMSA-N 2 2 371.934 2.172 10 0 FEAELP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886059679 688198297 /nfs/dbraw/zinc/19/82/97/688198297.db2.gz QEAKIAAMHSMBFY-MRXNPFEDSA-N 2 2 363.893 2.492 10 0 FEAELP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886059679 688198300 /nfs/dbraw/zinc/19/83/00/688198300.db2.gz QEAKIAAMHSMBFY-MRXNPFEDSA-N 2 2 363.893 2.492 10 0 FEAELP O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000034786915 539977838 /nfs/dbraw/zinc/97/78/38/539977838.db2.gz TYSNHYAYXXIUSA-IBGZPJMESA-N 2 2 359.470 2.267 10 0 FEAELP O=C(C[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000034786915 539977842 /nfs/dbraw/zinc/97/78/42/539977842.db2.gz TYSNHYAYXXIUSA-IBGZPJMESA-N 2 2 359.470 2.267 10 0 FEAELP CCc1[nH]c([C@H]2C[N@H+](C)C[C@@H]2C(=O)Nc2ccc3n[nH]cc3c2)c(C)[nH+]1 ZINC000071754118 221365242 /nfs/dbraw/zinc/36/52/42/221365242.db2.gz GUKKCNZOTAFQPI-GJZGRUSLSA-N 2 2 352.442 2.441 10 0 FEAELP CCc1[nH]c([C@H]2C[N@@H+](C)C[C@@H]2C(=O)Nc2ccc3n[nH]cc3c2)c(C)[nH+]1 ZINC000071754118 221365245 /nfs/dbraw/zinc/36/52/45/221365245.db2.gz GUKKCNZOTAFQPI-GJZGRUSLSA-N 2 2 352.442 2.441 10 0 FEAELP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104783481 543143615 /nfs/dbraw/zinc/14/36/15/543143615.db2.gz GHJSEZBYDYXPCF-FXAWDEMLSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104783481 543143619 /nfs/dbraw/zinc/14/36/19/543143619.db2.gz GHJSEZBYDYXPCF-FXAWDEMLSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000104783481 543143621 /nfs/dbraw/zinc/14/36/21/543143621.db2.gz GHJSEZBYDYXPCF-FXAWDEMLSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000104783481 543143625 /nfs/dbraw/zinc/14/36/25/543143625.db2.gz GHJSEZBYDYXPCF-FXAWDEMLSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCOCC1 ZINC000105124243 543160849 /nfs/dbraw/zinc/16/08/49/543160849.db2.gz CVSVQDSSCVZLMX-GOSISDBHSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[NH+]1CCOCC1 ZINC000105124243 543160851 /nfs/dbraw/zinc/16/08/51/543160851.db2.gz CVSVQDSSCVZLMX-GOSISDBHSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129665 543205387 /nfs/dbraw/zinc/20/53/87/543205387.db2.gz MXAXWDRPNPYZJV-MRXNPFEDSA-N 2 2 373.476 2.446 10 0 FEAELP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129665 543205390 /nfs/dbraw/zinc/20/53/90/543205390.db2.gz MXAXWDRPNPYZJV-MRXNPFEDSA-N 2 2 373.476 2.446 10 0 FEAELP C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130439 543206043 /nfs/dbraw/zinc/20/60/43/543206043.db2.gz IXFAXCBPOCHFQY-KRWDZBQOSA-N 2 2 355.486 2.307 10 0 FEAELP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130439 543206044 /nfs/dbraw/zinc/20/60/44/543206044.db2.gz IXFAXCBPOCHFQY-KRWDZBQOSA-N 2 2 355.486 2.307 10 0 FEAELP C[NH+](C)C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124311295 543813296 /nfs/dbraw/zinc/81/32/96/543813296.db2.gz OKOZJQVUYGJKRD-LEWJYISDSA-N 2 2 367.493 2.307 10 0 FEAELP C[NH+](C)C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124311295 543813299 /nfs/dbraw/zinc/81/32/99/543813299.db2.gz OKOZJQVUYGJKRD-LEWJYISDSA-N 2 2 367.493 2.307 10 0 FEAELP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)[nH]1 ZINC000190486516 328210755 /nfs/dbraw/zinc/21/07/55/328210755.db2.gz ZIELUKYWBBMTPM-KRWDZBQOSA-N 2 2 355.486 2.065 10 0 FEAELP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)[nH]1 ZINC000190486516 328210756 /nfs/dbraw/zinc/21/07/56/328210756.db2.gz ZIELUKYWBBMTPM-KRWDZBQOSA-N 2 2 355.486 2.065 10 0 FEAELP CN(C)C(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)[nH]1 ZINC000190486516 328210757 /nfs/dbraw/zinc/21/07/57/328210757.db2.gz ZIELUKYWBBMTPM-KRWDZBQOSA-N 2 2 355.486 2.065 10 0 FEAELP CN(C)C(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)[nH]1 ZINC000190486516 328210758 /nfs/dbraw/zinc/21/07/58/328210758.db2.gz ZIELUKYWBBMTPM-KRWDZBQOSA-N 2 2 355.486 2.065 10 0 FEAELP COCC[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H]1C ZINC000120783278 326287665 /nfs/dbraw/zinc/28/76/65/326287665.db2.gz BSEYHIUNARGRRZ-ZDUSSCGKSA-N 2 2 367.291 2.249 10 0 FEAELP COCC[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H]1C ZINC000120783278 326287668 /nfs/dbraw/zinc/28/76/68/326287668.db2.gz BSEYHIUNARGRRZ-ZDUSSCGKSA-N 2 2 367.291 2.249 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000122200218 326387843 /nfs/dbraw/zinc/38/78/43/326387843.db2.gz XLVRPHNZTJZZBR-INIZCTEOSA-N 2 2 368.437 2.413 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2cccc(Oc3cc[nH+]cc3)c2)C1 ZINC000122200218 326387844 /nfs/dbraw/zinc/38/78/44/326387844.db2.gz XLVRPHNZTJZZBR-INIZCTEOSA-N 2 2 368.437 2.413 10 0 FEAELP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173415724 327254585 /nfs/dbraw/zinc/25/45/85/327254585.db2.gz CDRKTTWCDYRVLQ-GIVPXCGWSA-N 2 2 371.525 2.220 10 0 FEAELP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H]1[NH+]1CCOCC1 ZINC000173415724 327254587 /nfs/dbraw/zinc/25/45/87/327254587.db2.gz CDRKTTWCDYRVLQ-GIVPXCGWSA-N 2 2 371.525 2.220 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)N(C(C)C)C(C)C)nc[nH+]1 ZINC000174288928 327317467 /nfs/dbraw/zinc/31/74/67/327317467.db2.gz WWRCLUKERUYGIT-CVEARBPZSA-N 2 2 362.522 2.111 10 0 FEAELP C[C@@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000175182837 327378626 /nfs/dbraw/zinc/37/86/26/327378626.db2.gz YGAXUHZSHRTOPY-IRXDYDNUSA-N 2 2 371.485 2.201 10 0 FEAELP CC1(C)CN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC[C@@H]1[NH3+] ZINC000262026166 328836239 /nfs/dbraw/zinc/83/62/39/328836239.db2.gz PAMIMWIBBUNUPK-KRWDZBQOSA-N 2 2 369.469 2.111 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000156684278 545647797 /nfs/dbraw/zinc/64/77/97/545647797.db2.gz PRWSZVPDOXXYGI-HOJAQTOUSA-N 2 2 374.529 2.088 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000156684278 545647801 /nfs/dbraw/zinc/64/78/01/545647801.db2.gz PRWSZVPDOXXYGI-HOJAQTOUSA-N 2 2 374.529 2.088 10 0 FEAELP CC[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000176352240 546435093 /nfs/dbraw/zinc/43/50/93/546435093.db2.gz PAIQOUFTZIHTDL-CRAIPNDOSA-N 2 2 371.485 2.396 10 0 FEAELP CC[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1C[C@@H](C)O ZINC000176352240 546435096 /nfs/dbraw/zinc/43/50/96/546435096.db2.gz PAIQOUFTZIHTDL-CRAIPNDOSA-N 2 2 371.485 2.396 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000178316683 546774179 /nfs/dbraw/zinc/77/41/79/546774179.db2.gz PBYNMRUDBRORHU-KRWDZBQOSA-N 2 2 351.458 2.449 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nnnn1-c1c(C)cccc1C ZINC000178316683 546774185 /nfs/dbraw/zinc/77/41/85/546774185.db2.gz PBYNMRUDBRORHU-KRWDZBQOSA-N 2 2 351.458 2.449 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745443 546842090 /nfs/dbraw/zinc/84/20/90/546842090.db2.gz SDIROAIKICFOOY-SFHVURJKSA-N 2 2 355.442 2.253 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178745443 546842092 /nfs/dbraw/zinc/84/20/92/546842092.db2.gz SDIROAIKICFOOY-SFHVURJKSA-N 2 2 355.442 2.253 10 0 FEAELP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2C[NH+](C)CCO2)c1 ZINC000194844680 548539817 /nfs/dbraw/zinc/53/98/17/548539817.db2.gz HIWATZMCJBXYGT-NRFANRHFSA-N 2 2 367.493 2.379 10 0 FEAELP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2C[NH+](C)CCO2)c1 ZINC000194844680 548539820 /nfs/dbraw/zinc/53/98/20/548539820.db2.gz HIWATZMCJBXYGT-NRFANRHFSA-N 2 2 367.493 2.379 10 0 FEAELP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c1 ZINC000194844680 548539826 /nfs/dbraw/zinc/53/98/26/548539826.db2.gz HIWATZMCJBXYGT-NRFANRHFSA-N 2 2 367.493 2.379 10 0 FEAELP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c1 ZINC000194844680 548539831 /nfs/dbraw/zinc/53/98/31/548539831.db2.gz HIWATZMCJBXYGT-NRFANRHFSA-N 2 2 367.493 2.379 10 0 FEAELP Cc1cccc(CNC(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195271187 548607446 /nfs/dbraw/zinc/60/74/46/548607446.db2.gz RCCLTCMTJCUSTK-OAQYLSRUSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1cccc(CNC(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195271187 548607451 /nfs/dbraw/zinc/60/74/51/548607451.db2.gz RCCLTCMTJCUSTK-OAQYLSRUSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1cccc(CNC(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195271187 548607455 /nfs/dbraw/zinc/60/74/55/548607455.db2.gz RCCLTCMTJCUSTK-OAQYLSRUSA-N 2 2 366.509 2.460 10 0 FEAELP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000238035647 548873665 /nfs/dbraw/zinc/87/36/65/548873665.db2.gz FCMQLVAAFJTIOY-HOTGVXAUSA-N 2 2 365.905 2.381 10 0 FEAELP C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245680790 548974526 /nfs/dbraw/zinc/97/45/26/548974526.db2.gz HJPYKAZCDKNTCX-XGXHKWSGSA-N 2 2 351.535 2.350 10 0 FEAELP C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245680790 548974530 /nfs/dbraw/zinc/97/45/30/548974530.db2.gz HJPYKAZCDKNTCX-XGXHKWSGSA-N 2 2 351.535 2.350 10 0 FEAELP CO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000245861534 549005733 /nfs/dbraw/zinc/00/57/33/549005733.db2.gz DLBNVBNJDKALIL-XNMUZJSGSA-N 2 2 357.498 2.144 10 0 FEAELP CO[C@H](C(=O)N1CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000245861534 549005734 /nfs/dbraw/zinc/00/57/34/549005734.db2.gz DLBNVBNJDKALIL-XNMUZJSGSA-N 2 2 357.498 2.144 10 0 FEAELP CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@H](C)C1 ZINC000246721745 549196862 /nfs/dbraw/zinc/19/68/62/549196862.db2.gz GELOIEIDKLAZPF-HZPDHXFCSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@H](C)C1 ZINC000246721745 549196864 /nfs/dbraw/zinc/19/68/64/549196864.db2.gz GELOIEIDKLAZPF-HZPDHXFCSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[NH+](C)CCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000246721745 549196865 /nfs/dbraw/zinc/19/68/65/549196865.db2.gz GELOIEIDKLAZPF-HZPDHXFCSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[NH+](C)CCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000246721745 549196867 /nfs/dbraw/zinc/19/68/67/549196867.db2.gz GELOIEIDKLAZPF-HZPDHXFCSA-N 2 2 368.547 2.149 10 0 FEAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)COC[C@H]2C)CC1 ZINC000247105665 549284195 /nfs/dbraw/zinc/28/41/95/549284195.db2.gz VINUUUJMDURIMN-RTBURBONSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)COC[C@H]2C)CC1 ZINC000247105665 549284197 /nfs/dbraw/zinc/28/41/97/549284197.db2.gz VINUUUJMDURIMN-RTBURBONSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)c2cc1C ZINC000247599214 549364971 /nfs/dbraw/zinc/36/49/71/549364971.db2.gz KRYXDWUOMMGQRO-QZTJIDSGSA-N 2 2 368.485 2.018 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@@H](Cn4cncn4)C3)c2cc1C ZINC000247599214 549364976 /nfs/dbraw/zinc/36/49/76/549364976.db2.gz KRYXDWUOMMGQRO-QZTJIDSGSA-N 2 2 368.485 2.018 10 0 FEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604855 549734217 /nfs/dbraw/zinc/73/42/17/549734217.db2.gz AZMCJPBNFARGTA-PBASOCQRSA-N 2 2 373.541 2.372 10 0 FEAELP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604855 549734219 /nfs/dbraw/zinc/73/42/19/549734219.db2.gz AZMCJPBNFARGTA-PBASOCQRSA-N 2 2 373.541 2.372 10 0 FEAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301693793 553672308 /nfs/dbraw/zinc/67/23/08/553672308.db2.gz ZRXWVTBGPLNOOM-DLBZAZTESA-N 2 2 355.438 2.239 10 0 FEAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301693793 553672310 /nfs/dbraw/zinc/67/23/10/553672310.db2.gz ZRXWVTBGPLNOOM-DLBZAZTESA-N 2 2 355.438 2.239 10 0 FEAELP c1cc2c(cc1C[N@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1)OCCO2 ZINC000328651489 553802352 /nfs/dbraw/zinc/80/23/52/553802352.db2.gz VYGJNQXKAJQCRD-SFHVURJKSA-N 2 2 354.454 2.392 10 0 FEAELP c1cc2c(cc1C[N@@H+](Cc1cncnc1)[C@H]1CCC[NH2+]CC1)OCCO2 ZINC000328651489 553802353 /nfs/dbraw/zinc/80/23/53/553802353.db2.gz VYGJNQXKAJQCRD-SFHVURJKSA-N 2 2 354.454 2.392 10 0 FEAELP c1csc(C[N@H+](Cc2cnc3ncccn23)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000583623067 570809784 /nfs/dbraw/zinc/80/97/84/570809784.db2.gz LCQAOONIHYFBOI-HNNXBMFYSA-N 2 2 354.483 2.330 10 0 FEAELP c1csc(C[N@@H+](Cc2cnc3ncccn23)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000583623067 570809785 /nfs/dbraw/zinc/80/97/85/570809785.db2.gz LCQAOONIHYFBOI-HNNXBMFYSA-N 2 2 354.483 2.330 10 0 FEAELP COC(=O)CC[C@H]1C[N@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH+](C)C ZINC000011838429 539536339 /nfs/dbraw/zinc/53/63/39/539536339.db2.gz WYQGNBLPIGNNNB-QFBILLFUSA-N 2 2 364.486 2.409 10 0 FEAELP COC(=O)CC[C@H]1C[N@@H+](Cc2cc(OC)cc(OC)c2)CC[C@H]1[NH+](C)C ZINC000011838429 539536343 /nfs/dbraw/zinc/53/63/43/539536343.db2.gz WYQGNBLPIGNNNB-QFBILLFUSA-N 2 2 364.486 2.409 10 0 FEAELP COCc1cc(=O)[nH]c(-c2ccccc2C[N@@H+]2CC[C@H](n3cc[nH+]c3)C2)n1 ZINC000023541645 539715712 /nfs/dbraw/zinc/71/57/12/539715712.db2.gz GUHVCYULKUNREC-KRWDZBQOSA-N 2 2 365.437 2.227 10 0 FEAELP COCc1cc(=O)[nH]c(-c2ccccc2C[N@H+]2CC[C@H](n3cc[nH+]c3)C2)n1 ZINC000023541645 539715713 /nfs/dbraw/zinc/71/57/13/539715713.db2.gz GUHVCYULKUNREC-KRWDZBQOSA-N 2 2 365.437 2.227 10 0 FEAELP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCOCC1 ZINC000067457615 541467040 /nfs/dbraw/zinc/46/70/40/541467040.db2.gz BHYDMAMZYSYCBT-PKOBYXMFSA-N 2 2 366.550 2.051 10 0 FEAELP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+]1CCOCC1 ZINC000067457615 541467045 /nfs/dbraw/zinc/46/70/45/541467045.db2.gz BHYDMAMZYSYCBT-PKOBYXMFSA-N 2 2 366.550 2.051 10 0 FEAELP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247392303 549328054 /nfs/dbraw/zinc/32/80/54/549328054.db2.gz QGUWBCMKPQYUMN-HKUYNNGSSA-N 2 2 369.465 2.458 10 0 FEAELP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247392303 549328059 /nfs/dbraw/zinc/32/80/59/549328059.db2.gz QGUWBCMKPQYUMN-HKUYNNGSSA-N 2 2 369.465 2.458 10 0 FEAELP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875649 542132767 /nfs/dbraw/zinc/13/27/67/542132767.db2.gz NZYCRICLEXUMHQ-INIZCTEOSA-N 2 2 359.474 2.153 10 0 FEAELP Cc1ccc(C2(C[NH+]3CCCC3)CCN(C(=O)Cn3cc[nH+]c3)CC2)nc1 ZINC000067560382 221258736 /nfs/dbraw/zinc/25/87/36/221258736.db2.gz GPFNZRNQGPFZHQ-UHFFFAOYSA-N 2 2 367.497 2.243 10 0 FEAELP COc1ccc(OC)c(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106129936 543205352 /nfs/dbraw/zinc/20/53/52/543205352.db2.gz VODXCLNVRMNQND-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP COc1ccc(OC)c(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106129936 543205355 /nfs/dbraw/zinc/20/53/55/543205355.db2.gz VODXCLNVRMNQND-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106129306 543205846 /nfs/dbraw/zinc/20/58/46/543205846.db2.gz JGJANHURPMYUAU-HXUWFJFHSA-N 2 2 372.513 2.028 10 0 FEAELP Cc1ccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106129306 543205850 /nfs/dbraw/zinc/20/58/50/543205850.db2.gz JGJANHURPMYUAU-HXUWFJFHSA-N 2 2 372.513 2.028 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@H](Cn4cncn4)C3)c2cc1C ZINC000106171881 543211770 /nfs/dbraw/zinc/21/17/70/543211770.db2.gz KRYXDWUOMMGQRO-ROUUACIJSA-N 2 2 368.485 2.018 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@H](Cn4cncn4)C3)c2cc1C ZINC000106171881 543211772 /nfs/dbraw/zinc/21/17/72/543211772.db2.gz KRYXDWUOMMGQRO-ROUUACIJSA-N 2 2 368.485 2.018 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000109663367 543333149 /nfs/dbraw/zinc/33/31/49/543333149.db2.gz XYDXGGTYFCYSBM-HXUWFJFHSA-N 2 2 369.513 2.240 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000109663367 543333150 /nfs/dbraw/zinc/33/31/50/543333150.db2.gz XYDXGGTYFCYSBM-HXUWFJFHSA-N 2 2 369.513 2.240 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)[nH+]1 ZINC000111213074 543385212 /nfs/dbraw/zinc/38/52/12/543385212.db2.gz FVVHZZFUUQOWLN-UONOGXRCSA-N 2 2 356.392 2.287 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)[nH+]1 ZINC000111213074 543385214 /nfs/dbraw/zinc/38/52/14/543385214.db2.gz FVVHZZFUUQOWLN-UONOGXRCSA-N 2 2 356.392 2.287 10 0 FEAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000113586831 543491285 /nfs/dbraw/zinc/49/12/85/543491285.db2.gz FVCVEDDMGOUTCE-FUHWJXTLSA-N 2 2 357.502 2.450 10 0 FEAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000113586831 543491287 /nfs/dbraw/zinc/49/12/87/543491287.db2.gz FVCVEDDMGOUTCE-FUHWJXTLSA-N 2 2 357.502 2.450 10 0 FEAELP C[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC000113590944 543491558 /nfs/dbraw/zinc/49/15/58/543491558.db2.gz MJWMXCBRCDTAOF-IRXDYDNUSA-N 2 2 362.518 2.136 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456718 543517168 /nfs/dbraw/zinc/51/71/68/543517168.db2.gz ZTORERDGHSCRMG-SFHVURJKSA-N 3 2 361.534 2.071 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114456718 543517170 /nfs/dbraw/zinc/51/71/70/543517170.db2.gz ZTORERDGHSCRMG-SFHVURJKSA-N 3 2 361.534 2.071 10 0 FEAELP CN(c1ccccc1C[NH2+]C[C@H](O)C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000133300390 544264163 /nfs/dbraw/zinc/26/41/63/544264163.db2.gz KAYFWCVFIOEIEZ-NRFANRHFSA-N 3 2 374.573 2.153 10 0 FEAELP Cc1nc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C)CC3)CC2)cs1 ZINC000136776956 544378636 /nfs/dbraw/zinc/37/86/36/544378636.db2.gz FILNYUHXPMBVHW-UHFFFAOYSA-N 2 2 350.532 2.218 10 0 FEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(C)CC3)CC2)cs1 ZINC000136776956 544378637 /nfs/dbraw/zinc/37/86/37/544378637.db2.gz FILNYUHXPMBVHW-UHFFFAOYSA-N 2 2 350.532 2.218 10 0 FEAELP CC[N@H+](CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000153322955 544761608 /nfs/dbraw/zinc/76/16/08/544761608.db2.gz SJRHSJRABULMTQ-MRXNPFEDSA-N 2 2 351.516 2.064 10 0 FEAELP CC[N@@H+](CC(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000153322955 544761611 /nfs/dbraw/zinc/76/16/11/544761611.db2.gz SJRHSJRABULMTQ-MRXNPFEDSA-N 2 2 351.516 2.064 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)CC2)cs1 ZINC000116548643 326022591 /nfs/dbraw/zinc/02/25/91/326022591.db2.gz ORPFBVLOZBUMFA-INIZCTEOSA-N 2 2 365.547 2.011 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NC[C@@H]3CCC[N@H+](C)C3)CC2)cs1 ZINC000116548643 326022595 /nfs/dbraw/zinc/02/25/95/326022595.db2.gz ORPFBVLOZBUMFA-INIZCTEOSA-N 2 2 365.547 2.011 10 0 FEAELP Cc1nc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[NH+](C)C3)CC2)cs1 ZINC000116548643 326022601 /nfs/dbraw/zinc/02/26/01/326022601.db2.gz ORPFBVLOZBUMFA-INIZCTEOSA-N 2 2 365.547 2.011 10 0 FEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3CCC[NH+](C)C3)CC2)cs1 ZINC000116548643 326022605 /nfs/dbraw/zinc/02/26/05/326022605.db2.gz ORPFBVLOZBUMFA-INIZCTEOSA-N 2 2 365.547 2.011 10 0 FEAELP COCc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000121039611 326308528 /nfs/dbraw/zinc/30/85/28/326308528.db2.gz RRNROFMSXXXWBN-NRFANRHFSA-N 2 2 361.530 2.060 10 0 FEAELP COCc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000121039611 326308530 /nfs/dbraw/zinc/30/85/30/326308530.db2.gz RRNROFMSXXXWBN-NRFANRHFSA-N 2 2 361.530 2.060 10 0 FEAELP CC(=O)Nc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121208564 326321843 /nfs/dbraw/zinc/32/18/43/326321843.db2.gz GWQPNPCWKHIJBD-UHFFFAOYSA-N 2 2 355.486 2.438 10 0 FEAELP CC(=O)Nc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000121208564 326321846 /nfs/dbraw/zinc/32/18/46/326321846.db2.gz GWQPNPCWKHIJBD-UHFFFAOYSA-N 2 2 355.486 2.438 10 0 FEAELP COc1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc(OC)c1 ZINC000121210354 326321923 /nfs/dbraw/zinc/32/19/23/326321923.db2.gz HRUYKQFNXZNGSE-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP COc1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc(OC)c1 ZINC000121210354 326321924 /nfs/dbraw/zinc/32/19/24/326321924.db2.gz HRUYKQFNXZNGSE-UHFFFAOYSA-N 2 2 358.486 2.497 10 0 FEAELP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000151283248 326678657 /nfs/dbraw/zinc/67/86/57/326678657.db2.gz XDLUGOQYVXHHDY-GOEBONIOSA-N 2 2 352.475 2.210 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000171078332 327116115 /nfs/dbraw/zinc/11/61/15/327116115.db2.gz QHDURURSHMYRPN-JZXOWHBKSA-N 2 2 360.502 2.464 10 0 FEAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000171078332 327116116 /nfs/dbraw/zinc/11/61/16/327116116.db2.gz QHDURURSHMYRPN-JZXOWHBKSA-N 2 2 360.502 2.464 10 0 FEAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cn1 ZINC000171929915 327171018 /nfs/dbraw/zinc/17/10/18/327171018.db2.gz LQMKSERHCSOTGF-UHFFFAOYSA-N 2 2 366.469 2.289 10 0 FEAELP CCCn1cc(C[N@H+]2CCCN(C(=O)c3ccc4[nH+]ccn4c3)CC2)cn1 ZINC000171929915 327171019 /nfs/dbraw/zinc/17/10/19/327171019.db2.gz LQMKSERHCSOTGF-UHFFFAOYSA-N 2 2 366.469 2.289 10 0 FEAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)COC[C@H]2C)CC1 ZINC000172667381 327214118 /nfs/dbraw/zinc/21/41/18/327214118.db2.gz JUJSJONSAPUSPN-QZTJIDSGSA-N 2 2 359.514 2.185 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000173760785 327282314 /nfs/dbraw/zinc/28/23/14/327282314.db2.gz DBYKZWDKAQSTTG-ZWKOTPCHSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000173760785 327282315 /nfs/dbraw/zinc/28/23/15/327282315.db2.gz DBYKZWDKAQSTTG-ZWKOTPCHSA-N 2 2 357.502 2.450 10 0 FEAELP CN(C[C@@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261627857 328806524 /nfs/dbraw/zinc/80/65/24/328806524.db2.gz BMDYIWKFJSRGDN-XHSDSOJGSA-N 2 2 351.516 2.097 10 0 FEAELP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000180493773 547119068 /nfs/dbraw/zinc/11/90/68/547119068.db2.gz LBHPERTWEPGDGF-OAHLLOKOSA-N 2 2 354.491 2.112 10 0 FEAELP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(C(=O)OC(C)C)(C(=O)OC(C)C)C2)C1 ZINC000180493773 547119071 /nfs/dbraw/zinc/11/90/71/547119071.db2.gz LBHPERTWEPGDGF-OAHLLOKOSA-N 2 2 354.491 2.112 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668799 547154771 /nfs/dbraw/zinc/15/47/71/547154771.db2.gz LKSIFEWSXYJTNI-IAGOWNOFSA-N 2 2 355.486 2.076 10 0 FEAELP C[C@@H]1C[N@@H+]([C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CCO1 ZINC000183849856 547729724 /nfs/dbraw/zinc/72/97/24/547729724.db2.gz SKOVHHCCFBPEIB-PBHICJAKSA-N 2 2 374.510 2.401 10 0 FEAELP C[C@@H]1C[N@H+]([C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CCO1 ZINC000183849856 547729728 /nfs/dbraw/zinc/72/97/28/547729728.db2.gz SKOVHHCCFBPEIB-PBHICJAKSA-N 2 2 374.510 2.401 10 0 FEAELP C[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000184644740 547859810 /nfs/dbraw/zinc/85/98/10/547859810.db2.gz XRYTYIAJOVGRRP-SFHVURJKSA-N 2 2 359.514 2.126 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255168 548604170 /nfs/dbraw/zinc/60/41/70/548604170.db2.gz XNRWEPLJBWXZCV-HOTGVXAUSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255168 548604172 /nfs/dbraw/zinc/60/41/72/548604172.db2.gz XNRWEPLJBWXZCV-HOTGVXAUSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255168 548604174 /nfs/dbraw/zinc/60/41/74/548604174.db2.gz XNRWEPLJBWXZCV-HOTGVXAUSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255168 548604177 /nfs/dbraw/zinc/60/41/77/548604177.db2.gz XNRWEPLJBWXZCV-HOTGVXAUSA-N 2 2 352.548 2.461 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000195272576 548607282 /nfs/dbraw/zinc/60/72/82/548607282.db2.gz WXPGGJOSKYVMQU-YADHBBJMSA-N 2 2 369.509 2.413 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000195272576 548607286 /nfs/dbraw/zinc/60/72/86/548607286.db2.gz WXPGGJOSKYVMQU-YADHBBJMSA-N 2 2 369.509 2.413 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000195272576 548607292 /nfs/dbraw/zinc/60/72/92/548607292.db2.gz WXPGGJOSKYVMQU-YADHBBJMSA-N 2 2 369.509 2.413 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000195272576 548607295 /nfs/dbraw/zinc/60/72/95/548607295.db2.gz WXPGGJOSKYVMQU-YADHBBJMSA-N 2 2 369.509 2.413 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245755389 548989624 /nfs/dbraw/zinc/98/96/24/548989624.db2.gz HLHAYWFFSOQDRA-KBRIMQKVSA-N 2 2 352.429 2.056 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000245755389 548989627 /nfs/dbraw/zinc/98/96/27/548989627.db2.gz HLHAYWFFSOQDRA-KBRIMQKVSA-N 2 2 352.429 2.056 10 0 FEAELP CCC[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000245878663 549009602 /nfs/dbraw/zinc/00/96/02/549009602.db2.gz KMRVDYGNFRBWOB-PMACEKPBSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@H]1CN(C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000245878663 549009605 /nfs/dbraw/zinc/00/96/05/549009605.db2.gz KMRVDYGNFRBWOB-PMACEKPBSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000245878663 549009609 /nfs/dbraw/zinc/00/96/09/549009609.db2.gz KMRVDYGNFRBWOB-PMACEKPBSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000245878663 549009612 /nfs/dbraw/zinc/00/96/12/549009612.db2.gz KMRVDYGNFRBWOB-PMACEKPBSA-N 2 2 374.529 2.013 10 0 FEAELP COc1cccc([C@@H](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)[NH+](C)C)c1 ZINC000246222605 549082596 /nfs/dbraw/zinc/08/25/96/549082596.db2.gz ZGUDMXMEPKJKSP-FUHWJXTLSA-N 2 2 371.485 2.161 10 0 FEAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H](C)C3)[nH+]cn2)CC1 ZINC000246599478 549171780 /nfs/dbraw/zinc/17/17/80/549171780.db2.gz QGRBVTXVAKPDAY-IRXDYDNUSA-N 2 2 361.534 2.242 10 0 FEAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@H](C)C3)nc[nH+]2)CC1 ZINC000246599478 549171782 /nfs/dbraw/zinc/17/17/82/549171782.db2.gz QGRBVTXVAKPDAY-IRXDYDNUSA-N 2 2 361.534 2.242 10 0 FEAELP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000246938490 549246856 /nfs/dbraw/zinc/24/68/56/549246856.db2.gz JNBWWEMTAQZLDT-OALUTQOASA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000246938490 549246861 /nfs/dbraw/zinc/24/68/61/549246861.db2.gz JNBWWEMTAQZLDT-OALUTQOASA-N 2 2 374.529 2.013 10 0 FEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262954793 549865440 /nfs/dbraw/zinc/86/54/40/549865440.db2.gz KCUOYOBIZGFLDB-IEBWSBKVSA-N 2 2 363.452 2.498 10 0 FEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262954793 549865442 /nfs/dbraw/zinc/86/54/42/549865442.db2.gz KCUOYOBIZGFLDB-IEBWSBKVSA-N 2 2 363.452 2.498 10 0 FEAELP Cc1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c1OC(F)F ZINC000262177931 672909987 /nfs/dbraw/zinc/90/99/87/672909987.db2.gz WAXZFKQIXHQKEX-ZYHUDNBSSA-N 2 2 365.218 2.029 10 0 FEAELP Cc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886059670 688198531 /nfs/dbraw/zinc/19/85/31/688198531.db2.gz QEAKIAAMHSMBFY-INIZCTEOSA-N 2 2 363.893 2.492 10 0 FEAELP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C)c2)C1 ZINC000886059670 688198535 /nfs/dbraw/zinc/19/85/35/688198535.db2.gz QEAKIAAMHSMBFY-INIZCTEOSA-N 2 2 363.893 2.492 10 0 FEAELP CCc1ccccc1NC(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130887 543205622 /nfs/dbraw/zinc/20/56/22/543205622.db2.gz BYRFKLPYEIWNGZ-UHFFFAOYSA-N 2 2 369.513 2.480 10 0 FEAELP CCc1ccccc1NC(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130887 543205625 /nfs/dbraw/zinc/20/56/25/543205625.db2.gz BYRFKLPYEIWNGZ-UHFFFAOYSA-N 2 2 369.513 2.480 10 0 FEAELP CC(=O)Nc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106128644 543206061 /nfs/dbraw/zinc/20/60/61/543206061.db2.gz KUWTYTBEQIQHJQ-UHFFFAOYSA-N 2 2 355.486 2.438 10 0 FEAELP CC(=O)Nc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106128644 543206062 /nfs/dbraw/zinc/20/60/62/543206062.db2.gz KUWTYTBEQIQHJQ-UHFFFAOYSA-N 2 2 355.486 2.438 10 0 FEAELP c1cn(CCC[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)c[nH+]1 ZINC000182755887 327787821 /nfs/dbraw/zinc/78/78/21/327787821.db2.gz VCOGEYDBFQYTIS-UHFFFAOYSA-N 2 2 350.470 2.277 10 0 FEAELP CCc1[nH+]c2ccccc2n1C1CC[NH+](C[C@@H](O)CN2CCCC2=O)CC1 ZINC000093300165 325441833 /nfs/dbraw/zinc/44/18/33/325441833.db2.gz XWINASCSLMWJIL-QGZVFWFLSA-N 2 2 370.497 2.219 10 0 FEAELP CC[N@H+](CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1)C1CC1 ZINC000116429930 326014337 /nfs/dbraw/zinc/01/43/37/326014337.db2.gz HFQLUWGQHLCGTP-UHFFFAOYSA-N 2 2 365.547 2.153 10 0 FEAELP CC[N@@H+](CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1)C1CC1 ZINC000116429930 326014340 /nfs/dbraw/zinc/01/43/40/326014340.db2.gz HFQLUWGQHLCGTP-UHFFFAOYSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+](CCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1)C1CC1 ZINC000116429930 326014343 /nfs/dbraw/zinc/01/43/43/326014343.db2.gz HFQLUWGQHLCGTP-UHFFFAOYSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+](CCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1)C1CC1 ZINC000116429930 326014346 /nfs/dbraw/zinc/01/43/46/326014346.db2.gz HFQLUWGQHLCGTP-UHFFFAOYSA-N 2 2 365.547 2.153 10 0 FEAELP Cc1ccc2ncc(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)n2c1 ZINC000121240943 326324066 /nfs/dbraw/zinc/32/40/66/326324066.db2.gz JPTQCRXTNGWKDE-UHFFFAOYSA-N 2 2 352.486 2.436 10 0 FEAELP Cc1ccc2ncc(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)n2c1 ZINC000121240943 326324068 /nfs/dbraw/zinc/32/40/68/326324068.db2.gz JPTQCRXTNGWKDE-UHFFFAOYSA-N 2 2 352.486 2.436 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000155202556 326781276 /nfs/dbraw/zinc/78/12/76/326781276.db2.gz NYGBJEBGFQWSHY-IBGZPJMESA-N 2 2 368.481 2.338 10 0 FEAELP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645727 327151021 /nfs/dbraw/zinc/15/10/21/327151021.db2.gz JXAOYKCGNFYFNT-OAHLLOKOSA-N 2 2 368.437 2.241 10 0 FEAELP COC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645727 327151022 /nfs/dbraw/zinc/15/10/22/327151022.db2.gz JXAOYKCGNFYFNT-OAHLLOKOSA-N 2 2 368.437 2.241 10 0 FEAELP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646224 327151060 /nfs/dbraw/zinc/15/10/60/327151060.db2.gz BZUBBOAVWGQQGS-QGZVFWFLSA-N 2 2 374.510 2.266 10 0 FEAELP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171646224 327151062 /nfs/dbraw/zinc/15/10/62/327151062.db2.gz BZUBBOAVWGQQGS-QGZVFWFLSA-N 2 2 374.510 2.266 10 0 FEAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173783355 327283828 /nfs/dbraw/zinc/28/38/28/327283828.db2.gz KXSBTKWIDYSGIT-FQEVSTJZSA-N 2 2 374.529 2.143 10 0 FEAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173783355 327283829 /nfs/dbraw/zinc/28/38/29/327283829.db2.gz KXSBTKWIDYSGIT-FQEVSTJZSA-N 2 2 374.529 2.143 10 0 FEAELP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1[NH+]1CCOCC1 ZINC000173979231 327299427 /nfs/dbraw/zinc/29/94/27/327299427.db2.gz ODSLOTVFYRXSGA-CRAIPNDOSA-N 2 2 371.481 2.287 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccc(C(=O)OC(C)C)cc2c1N1CC[NH2+]CC1 ZINC000053994929 535715501 /nfs/dbraw/zinc/71/55/01/535715501.db2.gz PGBOALKCXSDDHP-UHFFFAOYSA-N 2 2 371.437 2.386 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000175962859 546380744 /nfs/dbraw/zinc/38/07/44/546380744.db2.gz MRDNMMKQRGLSIG-QGZVFWFLSA-N 2 2 373.526 2.485 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000175962859 546380745 /nfs/dbraw/zinc/38/07/45/546380745.db2.gz MRDNMMKQRGLSIG-QGZVFWFLSA-N 2 2 373.526 2.485 10 0 FEAELP C[N@H+](CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)Cc1ccc(F)cc1 ZINC000176814627 546491393 /nfs/dbraw/zinc/49/13/93/546491393.db2.gz BTRZFCNCEQFKTJ-QGZVFWFLSA-N 2 2 359.449 2.121 10 0 FEAELP C[N@@H+](CCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)Cc1ccc(F)cc1 ZINC000176814627 546491397 /nfs/dbraw/zinc/49/13/97/546491397.db2.gz BTRZFCNCEQFKTJ-QGZVFWFLSA-N 2 2 359.449 2.121 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)nc[nH+]1 ZINC000177308877 546591321 /nfs/dbraw/zinc/59/13/21/546591321.db2.gz XATVCGDLOZYGCR-RDJZCZTQSA-N 2 2 368.485 2.494 10 0 FEAELP O=C(C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000178871835 546864479 /nfs/dbraw/zinc/86/44/79/546864479.db2.gz UDWGJHOMINGYFB-GOSISDBHSA-N 2 2 373.526 2.343 10 0 FEAELP O=C(C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000178871835 546864484 /nfs/dbraw/zinc/86/44/84/546864484.db2.gz UDWGJHOMINGYFB-GOSISDBHSA-N 2 2 373.526 2.343 10 0 FEAELP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000186207277 548099492 /nfs/dbraw/zinc/09/94/92/548099492.db2.gz VOJYMXSGLRYPAB-HNNXBMFYSA-N 2 2 357.458 2.234 10 0 FEAELP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000186207277 548099495 /nfs/dbraw/zinc/09/94/95/548099495.db2.gz VOJYMXSGLRYPAB-HNNXBMFYSA-N 2 2 357.458 2.234 10 0 FEAELP Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300844 548616052 /nfs/dbraw/zinc/61/60/52/548616052.db2.gz FJNFRHZSHGMOKC-HXUWFJFHSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccccc1CNC(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300844 548616054 /nfs/dbraw/zinc/61/60/54/548616054.db2.gz FJNFRHZSHGMOKC-HXUWFJFHSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300844 548616056 /nfs/dbraw/zinc/61/60/56/548616056.db2.gz FJNFRHZSHGMOKC-HXUWFJFHSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300844 548616060 /nfs/dbraw/zinc/61/60/60/548616060.db2.gz FJNFRHZSHGMOKC-HXUWFJFHSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCS[C@@H](C)C2)CC1 ZINC000246213806 549080608 /nfs/dbraw/zinc/08/06/08/549080608.db2.gz ZMWFXHNOUSTQIB-SFHVURJKSA-N 2 2 361.555 2.467 10 0 FEAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCS[C@@H](C)C2)CC1 ZINC000246213806 549080614 /nfs/dbraw/zinc/08/06/14/549080614.db2.gz ZMWFXHNOUSTQIB-SFHVURJKSA-N 2 2 361.555 2.467 10 0 FEAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCS[C@@H](C)C2)CC1 ZINC000246213806 549080618 /nfs/dbraw/zinc/08/06/18/549080618.db2.gz ZMWFXHNOUSTQIB-SFHVURJKSA-N 2 2 361.555 2.467 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000247309711 549315248 /nfs/dbraw/zinc/31/52/48/549315248.db2.gz VTVYCDVCGPPYEP-BBRMVZONSA-N 2 2 352.429 2.057 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000247309711 549315252 /nfs/dbraw/zinc/31/52/52/549315252.db2.gz VTVYCDVCGPPYEP-BBRMVZONSA-N 2 2 352.429 2.057 10 0 FEAELP OCCC[NH+]1CCC([C@@H]2c3nccn3CCC[N@H+]2Cc2cccnc2)CC1 ZINC000257192551 549715522 /nfs/dbraw/zinc/71/55/22/549715522.db2.gz UYVBJOZHPMJWSK-HXUWFJFHSA-N 2 2 369.513 2.320 10 0 FEAELP OCCC[NH+]1CCC([C@@H]2c3nccn3CCC[N@@H+]2Cc2cccnc2)CC1 ZINC000257192551 549715526 /nfs/dbraw/zinc/71/55/26/549715526.db2.gz UYVBJOZHPMJWSK-HXUWFJFHSA-N 2 2 369.513 2.320 10 0 FEAELP CS(=O)(=O)c1ccc(OCC[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261661047 549740721 /nfs/dbraw/zinc/74/07/21/549740721.db2.gz GWDLKONAHNZZAB-XLIONFOSSA-N 2 2 374.506 2.143 10 0 FEAELP CS(=O)(=O)c1ccc(OCC[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261661047 549740724 /nfs/dbraw/zinc/74/07/24/549740724.db2.gz GWDLKONAHNZZAB-XLIONFOSSA-N 2 2 374.506 2.143 10 0 FEAELP CC(C)c1nc(N2CCC[C@@H]([N@H+](C)Cc3nccc(N)n3)CC2)cc[nH+]1 ZINC000328623340 553797862 /nfs/dbraw/zinc/79/78/62/553797862.db2.gz BWXJJYUCLRFFCQ-OAHLLOKOSA-N 2 2 355.490 2.463 10 0 FEAELP CC(C)c1nc(N2CCC[C@@H]([N@@H+](C)Cc3nccc(N)n3)CC2)cc[nH+]1 ZINC000328623340 553797863 /nfs/dbraw/zinc/79/78/63/553797863.db2.gz BWXJJYUCLRFFCQ-OAHLLOKOSA-N 2 2 355.490 2.463 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000065516152 541242610 /nfs/dbraw/zinc/24/26/10/541242610.db2.gz ODJCDTNJIKETGH-SFHVURJKSA-N 2 2 369.469 2.126 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000065516152 541242613 /nfs/dbraw/zinc/24/26/13/541242613.db2.gz ODJCDTNJIKETGH-SFHVURJKSA-N 2 2 369.469 2.126 10 0 FEAELP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247392315 549328380 /nfs/dbraw/zinc/32/83/80/549328380.db2.gz QGUWBCMKPQYUMN-PKOBYXMFSA-N 2 2 369.465 2.458 10 0 FEAELP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247392315 549328383 /nfs/dbraw/zinc/32/83/83/549328383.db2.gz QGUWBCMKPQYUMN-PKOBYXMFSA-N 2 2 369.465 2.458 10 0 FEAELP COc1cc[nH+]c(N2CC[NH+]([C@@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)c1 ZINC000104719700 543139286 /nfs/dbraw/zinc/13/92/86/543139286.db2.gz QYGITBZPFNBLLC-SJORKVTESA-N 2 2 368.481 2.478 10 0 FEAELP Cc1cc(=O)n2nc(C[NH2+][C@@H](C)c3cccc(-n4cc[nH+]c4)c3)sc2n1 ZINC000189888181 328174126 /nfs/dbraw/zinc/17/41/26/328174126.db2.gz KAYBOAKZUHBUOB-ZDUSSCGKSA-N 2 2 366.450 2.496 10 0 FEAELP CCN(C(C)=O)c1nc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000170941904 327108780 /nfs/dbraw/zinc/10/87/80/327108780.db2.gz PAPPQZFCRFPCGG-CQSZACIVSA-N 2 2 368.547 2.041 10 0 FEAELP CCN(C(C)=O)c1nc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cs1 ZINC000170941904 327108781 /nfs/dbraw/zinc/10/87/81/327108781.db2.gz PAPPQZFCRFPCGG-CQSZACIVSA-N 2 2 368.547 2.041 10 0 FEAELP COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645706 327151140 /nfs/dbraw/zinc/15/11/40/327151140.db2.gz MSMIHALZDNHDHV-QGZVFWFLSA-N 2 2 368.481 2.483 10 0 FEAELP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645706 327151141 /nfs/dbraw/zinc/15/11/41/327151141.db2.gz MSMIHALZDNHDHV-QGZVFWFLSA-N 2 2 368.481 2.483 10 0 FEAELP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173454673 327258386 /nfs/dbraw/zinc/25/83/86/327258386.db2.gz DJEVXGXRMTZTTQ-VQIMIIECSA-N 2 2 371.485 2.079 10 0 FEAELP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[NH+]1CCCC1 ZINC000173795478 327284604 /nfs/dbraw/zinc/28/46/04/327284604.db2.gz WFFWWLIFNGLMLE-MOPGFXCFSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173909756 327293642 /nfs/dbraw/zinc/29/36/42/327293642.db2.gz MWPBFLLZNRSPRK-IEBWSBKVSA-N 2 2 374.529 2.232 10 0 FEAELP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173961745 327298133 /nfs/dbraw/zinc/29/81/33/327298133.db2.gz SPSIBDQFGYZCMV-YLJYHZDGSA-N 2 2 357.498 2.075 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)Nc2ccccc2)nc[nH+]1 ZINC000174286403 327317376 /nfs/dbraw/zinc/31/73/76/327317376.db2.gz XMEGRPHVZLHPOF-ZBFHGGJFSA-N 2 2 354.458 2.104 10 0 FEAELP C[C@@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000175772070 327412101 /nfs/dbraw/zinc/41/21/01/327412101.db2.gz DWMYXVAKVGTPOK-SFHVURJKSA-N 2 2 374.529 2.013 10 0 FEAELP O=C(Cc1cn2ccccc2[nH+]1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000262525531 328870869 /nfs/dbraw/zinc/87/08/69/328870869.db2.gz OMLVBGDGRAWWEQ-QAPCUYQASA-N 2 2 370.403 2.417 10 0 FEAELP CC[N@H+](CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000275601428 520315065 /nfs/dbraw/zinc/31/50/65/520315065.db2.gz KXXYUXMJHICWMC-KRWDZBQOSA-N 2 2 358.486 2.146 10 0 FEAELP CC[N@@H+](CC(=O)N1CC[C@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000275601428 520315077 /nfs/dbraw/zinc/31/50/77/520315077.db2.gz KXXYUXMJHICWMC-KRWDZBQOSA-N 2 2 358.486 2.146 10 0 FEAELP CCN(C(=O)NC[C@@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159128088 545924308 /nfs/dbraw/zinc/92/43/08/545924308.db2.gz CMHWQBLEHFPDKW-UYAOXDASSA-N 2 2 374.529 2.013 10 0 FEAELP CCN(C(=O)NC[C@@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159128088 545924311 /nfs/dbraw/zinc/92/43/11/545924311.db2.gz CMHWQBLEHFPDKW-UYAOXDASSA-N 2 2 374.529 2.013 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000179352753 546937583 /nfs/dbraw/zinc/93/75/83/546937583.db2.gz FAHHSTIDWCTRFF-BMGDILEWSA-N 2 2 366.456 2.494 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000179352753 546937588 /nfs/dbraw/zinc/93/75/88/546937588.db2.gz FAHHSTIDWCTRFF-BMGDILEWSA-N 2 2 366.456 2.494 10 0 FEAELP CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000179352753 546937590 /nfs/dbraw/zinc/93/75/90/546937590.db2.gz FAHHSTIDWCTRFF-BMGDILEWSA-N 2 2 366.456 2.494 10 0 FEAELP CC[NH+]1CCC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000179352753 546937594 /nfs/dbraw/zinc/93/75/94/546937594.db2.gz FAHHSTIDWCTRFF-BMGDILEWSA-N 2 2 366.456 2.494 10 0 FEAELP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000186207253 548099854 /nfs/dbraw/zinc/09/98/54/548099854.db2.gz VOJYMXSGLRYPAB-OAHLLOKOSA-N 2 2 357.458 2.234 10 0 FEAELP CCOC(=O)c1nn(C)cc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000186207253 548099858 /nfs/dbraw/zinc/09/98/58/548099858.db2.gz VOJYMXSGLRYPAB-OAHLLOKOSA-N 2 2 357.458 2.234 10 0 FEAELP C[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCc2sccc2C1 ZINC000246328984 549107640 /nfs/dbraw/zinc/10/76/40/549107640.db2.gz AQZBYDBGMWBQHS-WBVHZDCISA-N 2 2 362.543 2.374 10 0 FEAELP C[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCc2sccc2C1 ZINC000246328984 549107644 /nfs/dbraw/zinc/10/76/44/549107644.db2.gz AQZBYDBGMWBQHS-WBVHZDCISA-N 2 2 362.543 2.374 10 0 FEAELP C[C@H](CNC(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000246328984 549107648 /nfs/dbraw/zinc/10/76/48/549107648.db2.gz AQZBYDBGMWBQHS-WBVHZDCISA-N 2 2 362.543 2.374 10 0 FEAELP C[C@H](CNC(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000246328984 549107652 /nfs/dbraw/zinc/10/76/52/549107652.db2.gz AQZBYDBGMWBQHS-WBVHZDCISA-N 2 2 362.543 2.374 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)C[C@@H]1CC ZINC000246900978 549238811 /nfs/dbraw/zinc/23/88/11/549238811.db2.gz AIIKLLFZBCSNKX-DLBZAZTESA-N 2 2 366.506 2.025 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000247374969 549325681 /nfs/dbraw/zinc/32/56/81/549325681.db2.gz PKCANPBDSHFPRE-YLJYHZDGSA-N 2 2 374.529 2.047 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000247374969 549325684 /nfs/dbraw/zinc/32/56/84/549325684.db2.gz PKCANPBDSHFPRE-YLJYHZDGSA-N 2 2 374.529 2.047 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000248642402 549475470 /nfs/dbraw/zinc/47/54/70/549475470.db2.gz DGEHBFXLJCMNST-NVXWUHKLSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000248642402 549475476 /nfs/dbraw/zinc/47/54/76/549475476.db2.gz DGEHBFXLJCMNST-NVXWUHKLSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000248642402 549475487 /nfs/dbraw/zinc/47/54/87/549475487.db2.gz DGEHBFXLJCMNST-NVXWUHKLSA-N 2 2 364.559 2.464 10 0 FEAELP OC(C[NH+]1CCCC[C@H]1c1cn[nH]c1)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000248721834 549491046 /nfs/dbraw/zinc/49/10/46/549491046.db2.gz FVHWKAPCXAYJOB-OALUTQOASA-N 2 2 358.490 2.248 10 0 FEAELP OC(C[NH+]1CCCC[C@H]1c1cn[nH]c1)C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000248721834 549491050 /nfs/dbraw/zinc/49/10/50/549491050.db2.gz FVHWKAPCXAYJOB-OALUTQOASA-N 2 2 358.490 2.248 10 0 FEAELP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)[nH+]c2)CC1 ZINC000262036068 549781953 /nfs/dbraw/zinc/78/19/53/549781953.db2.gz XYGYJKCPXOZPIO-XUVXKRRUSA-N 3 2 373.545 2.181 10 0 FEAELP CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cs1 ZINC000263152009 549881778 /nfs/dbraw/zinc/88/17/78/549881778.db2.gz DEBRISIIOLNOCT-AWEZNQCLSA-N 2 2 372.485 2.031 10 0 FEAELP NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2nc(-c3ccccc3)co2)CC1 ZINC000302232888 553712353 /nfs/dbraw/zinc/71/23/53/553712353.db2.gz SRUCXFJQNZMYBR-UHFFFAOYSA-N 2 2 363.421 2.158 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@@H]([NH3+])CC[C@@H]1C(F)(F)F ZINC000583619844 570808827 /nfs/dbraw/zinc/80/88/27/570808827.db2.gz OTZDNXFZHIYOGS-SMDDNHRTSA-N 2 2 354.376 2.479 10 0 FEAELP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Cl)s1 ZINC000182983817 672457712 /nfs/dbraw/zinc/45/77/12/672457712.db2.gz BRSMPSCXKMCDJM-GFCCVEGCSA-N 2 2 359.923 2.279 10 0 FEAELP CN(c1nc[nH+]c(Nc2ccc3c(c2)OCO3)c1N)C1CC[NH+](C)CC1 ZINC000040685114 205076213 /nfs/dbraw/zinc/07/62/13/205076213.db2.gz XSNIVHDKJQMZIM-UHFFFAOYSA-N 2 2 356.430 2.062 10 0 FEAELP CC(C)C[C@@]1(CO)[NH2+][C@H](c2cc(C[NH+](C)C)cs2)[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000065374828 205341058 /nfs/dbraw/zinc/34/10/58/205341058.db2.gz GIWHVKVZVDPOTM-NEPXVJNWSA-N 3 2 351.560 2.409 10 0 FEAELP CC(C)C[C@@]1(CO)[NH2+][C@H](c2cc(C[NH+](C)C)cs2)[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000065374828 205341062 /nfs/dbraw/zinc/34/10/62/205341062.db2.gz GIWHVKVZVDPOTM-NEPXVJNWSA-N 3 2 351.560 2.409 10 0 FEAELP Cc1[nH+]ccn1-c1cncc(N2CCC[N@H+](Cc3cscn3)CC2)n1 ZINC000092894604 542894393 /nfs/dbraw/zinc/89/43/93/542894393.db2.gz OECFATXHGQGXCB-UHFFFAOYSA-N 2 2 355.471 2.140 10 0 FEAELP Cc1[nH+]ccn1-c1cncc(N2CCC[N@@H+](Cc3cscn3)CC2)n1 ZINC000092894604 542894394 /nfs/dbraw/zinc/89/43/94/542894394.db2.gz OECFATXHGQGXCB-UHFFFAOYSA-N 2 2 355.471 2.140 10 0 FEAELP CC[C@H]1CCCCN1C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129949 543206037 /nfs/dbraw/zinc/20/60/37/543206037.db2.gz SIABHMWWFFNWQS-SFHVURJKSA-N 2 2 361.534 2.070 10 0 FEAELP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129949 543206038 /nfs/dbraw/zinc/20/60/38/543206038.db2.gz SIABHMWWFFNWQS-SFHVURJKSA-N 2 2 361.534 2.070 10 0 FEAELP COc1cccc(CN(C)C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000108362770 543287750 /nfs/dbraw/zinc/28/77/50/543287750.db2.gz QVAQGJULLFLHPR-GOSISDBHSA-N 2 2 368.481 2.483 10 0 FEAELP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000108362770 543287752 /nfs/dbraw/zinc/28/77/52/543287752.db2.gz QVAQGJULLFLHPR-GOSISDBHSA-N 2 2 368.481 2.483 10 0 FEAELP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000127147713 543975586 /nfs/dbraw/zinc/97/55/86/543975586.db2.gz HIFINQPZQPNCNX-QZTJIDSGSA-N 2 2 353.470 2.262 10 0 FEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000133019496 544252636 /nfs/dbraw/zinc/25/26/36/544252636.db2.gz CJLSOSCALKXPNK-DOTOQJQBSA-N 2 2 351.516 2.361 10 0 FEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000133019496 544252639 /nfs/dbraw/zinc/25/26/39/544252639.db2.gz CJLSOSCALKXPNK-DOTOQJQBSA-N 2 2 351.516 2.361 10 0 FEAELP COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151109147 544506085 /nfs/dbraw/zinc/50/60/85/544506085.db2.gz DWYBJRHGZJKPOE-MOPGFXCFSA-N 2 2 371.481 2.402 10 0 FEAELP COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151109147 544506089 /nfs/dbraw/zinc/50/60/89/544506089.db2.gz DWYBJRHGZJKPOE-MOPGFXCFSA-N 2 2 371.481 2.402 10 0 FEAELP C[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)[NH+]1CCOCC1 ZINC000188356146 328082260 /nfs/dbraw/zinc/08/22/60/328082260.db2.gz NXGMFAOCGYTDQN-QGZVFWFLSA-N 2 2 354.539 2.051 10 0 FEAELP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544379 325135358 /nfs/dbraw/zinc/13/53/58/325135358.db2.gz JKXCPDCTHKJHKT-APWZRJJASA-N 2 2 363.477 2.017 10 0 FEAELP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544379 325135361 /nfs/dbraw/zinc/13/53/61/325135361.db2.gz JKXCPDCTHKJHKT-APWZRJJASA-N 2 2 363.477 2.017 10 0 FEAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](CCOc3ccccc3Cl)CC2)C1 ZINC000237892265 328533468 /nfs/dbraw/zinc/53/34/68/328533468.db2.gz FCMQLVAAFJTIOY-JKSUJKDBSA-N 2 2 365.905 2.381 10 0 FEAELP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000114706352 325914600 /nfs/dbraw/zinc/91/46/00/325914600.db2.gz MJXMXDPWXMYRLA-NQIIRXRSSA-N 2 2 366.509 2.460 10 0 FEAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173783372 327283736 /nfs/dbraw/zinc/28/37/36/327283736.db2.gz KXSBTKWIDYSGIT-HXUWFJFHSA-N 2 2 374.529 2.143 10 0 FEAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173783372 327283737 /nfs/dbraw/zinc/28/37/37/327283737.db2.gz KXSBTKWIDYSGIT-HXUWFJFHSA-N 2 2 374.529 2.143 10 0 FEAELP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000261904714 328828278 /nfs/dbraw/zinc/82/82/78/328828278.db2.gz ICDVXKGYOPCNRH-BDTNDASRSA-N 3 2 357.542 2.440 10 0 FEAELP CC[N@@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000175707458 546337047 /nfs/dbraw/zinc/33/70/47/546337047.db2.gz HZXICFYMDFDJTM-GOSISDBHSA-N 2 2 355.486 2.409 10 0 FEAELP CC[N@H+]1CCC[C@@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000175707458 546337049 /nfs/dbraw/zinc/33/70/49/546337049.db2.gz HZXICFYMDFDJTM-GOSISDBHSA-N 2 2 355.486 2.409 10 0 FEAELP COCc1cccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000179213118 546915791 /nfs/dbraw/zinc/91/57/91/546915791.db2.gz WJBLKUXOMNUCNP-OAQYLSRUSA-N 2 2 361.530 2.060 10 0 FEAELP COCc1cccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000179213118 546915797 /nfs/dbraw/zinc/91/57/97/546915797.db2.gz WJBLKUXOMNUCNP-OAQYLSRUSA-N 2 2 361.530 2.060 10 0 FEAELP CCOC(=O)C1CCC([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000182189675 547450496 /nfs/dbraw/zinc/45/04/96/547450496.db2.gz OSPMBSITUVGOBY-UYSNPLJNSA-N 2 2 361.490 2.199 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000195294982 548615063 /nfs/dbraw/zinc/61/50/63/548615063.db2.gz FVCQXPCVNRTGPO-QUCCMNQESA-N 2 2 373.472 2.414 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000195294982 548615067 /nfs/dbraw/zinc/61/50/67/548615067.db2.gz FVCQXPCVNRTGPO-QUCCMNQESA-N 2 2 373.472 2.414 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000195294982 548615070 /nfs/dbraw/zinc/61/50/70/548615070.db2.gz FVCQXPCVNRTGPO-QUCCMNQESA-N 2 2 373.472 2.414 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000195294982 548615073 /nfs/dbraw/zinc/61/50/73/548615073.db2.gz FVCQXPCVNRTGPO-QUCCMNQESA-N 2 2 373.472 2.414 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2F)C1 ZINC000195300734 548616489 /nfs/dbraw/zinc/61/64/89/548616489.db2.gz MDOPQQVUSKQNAW-SFHVURJKSA-N 2 2 370.472 2.291 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2F)C1 ZINC000195300734 548616494 /nfs/dbraw/zinc/61/64/94/548616494.db2.gz MDOPQQVUSKQNAW-SFHVURJKSA-N 2 2 370.472 2.291 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C1 ZINC000195300734 548616498 /nfs/dbraw/zinc/61/64/98/548616498.db2.gz MDOPQQVUSKQNAW-SFHVURJKSA-N 2 2 370.472 2.291 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C1 ZINC000195300734 548616504 /nfs/dbraw/zinc/61/65/04/548616504.db2.gz MDOPQQVUSKQNAW-SFHVURJKSA-N 2 2 370.472 2.291 10 0 FEAELP COC(=O)c1cccc([C@H](C(=O)OC)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000245745327 548986966 /nfs/dbraw/zinc/98/69/66/548986966.db2.gz COOZGIDTXFGOHL-QZTJIDSGSA-N 2 2 371.437 2.357 10 0 FEAELP COC(=O)c1cccc([C@H](C(=O)OC)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000245745327 548986969 /nfs/dbraw/zinc/98/69/69/548986969.db2.gz COOZGIDTXFGOHL-QZTJIDSGSA-N 2 2 371.437 2.357 10 0 FEAELP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000246024170 549037431 /nfs/dbraw/zinc/03/74/31/549037431.db2.gz QHDURURSHMYRPN-JFIYKMOQSA-N 2 2 360.502 2.464 10 0 FEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000246845346 549227267 /nfs/dbraw/zinc/22/72/67/549227267.db2.gz CJLSOSCALKXPNK-WBVHZDCISA-N 2 2 351.516 2.361 10 0 FEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000246845346 549227273 /nfs/dbraw/zinc/22/72/73/549227273.db2.gz CJLSOSCALKXPNK-WBVHZDCISA-N 2 2 351.516 2.361 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000247136859 549289104 /nfs/dbraw/zinc/28/91/04/549289104.db2.gz XWLQXROQHXUDSQ-JKSUJKDBSA-N 2 2 368.547 2.151 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000247136859 549289108 /nfs/dbraw/zinc/28/91/08/549289108.db2.gz XWLQXROQHXUDSQ-JKSUJKDBSA-N 2 2 368.547 2.151 10 0 FEAELP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000247199370 549298314 /nfs/dbraw/zinc/29/83/14/549298314.db2.gz WYXXBJRICZDXAJ-RTBURBONSA-N 2 2 357.454 2.298 10 0 FEAELP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000247199370 549298319 /nfs/dbraw/zinc/29/83/19/549298319.db2.gz WYXXBJRICZDXAJ-RTBURBONSA-N 2 2 357.454 2.298 10 0 FEAELP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248639618 549473542 /nfs/dbraw/zinc/47/35/42/549473542.db2.gz BKSBBSFGZDUUSI-QUCCMNQESA-N 2 2 358.530 2.482 10 0 FEAELP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000248639618 549473546 /nfs/dbraw/zinc/47/35/46/549473546.db2.gz BKSBBSFGZDUUSI-QUCCMNQESA-N 2 2 358.530 2.482 10 0 FEAELP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000248639618 549473551 /nfs/dbraw/zinc/47/35/51/549473551.db2.gz BKSBBSFGZDUUSI-QUCCMNQESA-N 2 2 358.530 2.482 10 0 FEAELP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000248639618 549473552 /nfs/dbraw/zinc/47/35/52/549473552.db2.gz BKSBBSFGZDUUSI-QUCCMNQESA-N 2 2 358.530 2.482 10 0 FEAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1c1ccccc1 ZINC000261704035 549744953 /nfs/dbraw/zinc/74/49/53/549744953.db2.gz JYTYSGWOKYRJEF-AEFFLSMTSA-N 2 2 373.447 2.298 10 0 FEAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1c1ccccc1 ZINC000261704035 549744956 /nfs/dbraw/zinc/74/49/56/549744956.db2.gz JYTYSGWOKYRJEF-AEFFLSMTSA-N 2 2 373.447 2.298 10 0 FEAELP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)c2)CCO1 ZINC000261965924 549775305 /nfs/dbraw/zinc/77/53/05/549775305.db2.gz PZMYJYBURGTGKM-XYEHWOGUSA-N 3 2 373.541 2.154 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)c2)CCO1 ZINC000261965924 549775309 /nfs/dbraw/zinc/77/53/09/549775309.db2.gz PZMYJYBURGTGKM-XYEHWOGUSA-N 3 2 373.541 2.154 10 0 FEAELP [NH3+]Cc1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)no1 ZINC000262278400 549805608 /nfs/dbraw/zinc/80/56/08/549805608.db2.gz UGTHWBYRGDHOGM-UHFFFAOYSA-N 2 2 363.465 2.436 10 0 FEAELP COc1ccccc1N1CC[C@H]([N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000262283616 549806467 /nfs/dbraw/zinc/80/64/67/549806467.db2.gz UZTYKYHAWJEUJA-HBFSDRIKSA-N 2 2 365.477 2.475 10 0 FEAELP COc1ccccc1N1CC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000262283616 549806471 /nfs/dbraw/zinc/80/64/71/549806471.db2.gz UZTYKYHAWJEUJA-HBFSDRIKSA-N 2 2 365.477 2.475 10 0 FEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1C ZINC000311552023 553754853 /nfs/dbraw/zinc/75/48/53/553754853.db2.gz PVGMYGGEURXZGH-MISYRCLQSA-N 3 2 353.514 2.486 10 0 FEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1C ZINC000311552023 553754856 /nfs/dbraw/zinc/75/48/56/553754856.db2.gz PVGMYGGEURXZGH-MISYRCLQSA-N 3 2 353.514 2.486 10 0 FEAELP [NH3+]C1CC[NH+](Cc2nnn(-c3ccc(F)cc3)c2-c2ccncc2)CC1 ZINC000057345216 203903780 /nfs/dbraw/zinc/90/37/80/203903780.db2.gz ISLCJNOISLMDDU-UHFFFAOYSA-N 2 2 352.417 2.392 10 0 FEAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3ccccc3C(F)(F)F)c2N)CC1 ZINC000040701758 205077289 /nfs/dbraw/zinc/07/72/89/205077289.db2.gz QQVMNLFBRBNWDM-UHFFFAOYSA-N 2 2 367.379 2.396 10 0 FEAELP C[NH+](C)CCCn1cc[nH+]c1C1CCN(c2cccc(C(=O)[O-])[nH+]2)CC1 ZINC000095371712 132208610 /nfs/dbraw/zinc/20/86/10/132208610.db2.gz CHXWVRWGYJGMBP-UHFFFAOYSA-N 2 2 357.458 2.312 10 0 FEAELP CCOc1ccccc1C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000106124070 543205046 /nfs/dbraw/zinc/20/50/46/543205046.db2.gz SYDICDAOMFEMRN-FQEVSTJZSA-N 2 2 361.530 2.312 10 0 FEAELP CCOc1ccccc1C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000106124070 543205048 /nfs/dbraw/zinc/20/50/48/543205048.db2.gz SYDICDAOMFEMRN-FQEVSTJZSA-N 2 2 361.530 2.312 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000114456153 543516960 /nfs/dbraw/zinc/51/69/60/543516960.db2.gz TVNUWYQPKFXBEF-GOSISDBHSA-N 3 2 373.545 2.113 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000114456153 543516962 /nfs/dbraw/zinc/51/69/62/543516962.db2.gz TVNUWYQPKFXBEF-GOSISDBHSA-N 3 2 373.545 2.113 10 0 FEAELP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1Cn1cccn1 ZINC000151321787 544528079 /nfs/dbraw/zinc/52/80/79/544528079.db2.gz MIHIMLHOUSKMAC-PXNSSMCTSA-N 2 2 372.513 2.437 10 0 FEAELP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1Cn1cccn1 ZINC000151321928 544528609 /nfs/dbraw/zinc/52/86/09/544528609.db2.gz MIHIMLHOUSKMAC-FXAWDEMLSA-N 2 2 372.513 2.437 10 0 FEAELP O=C(NCC[N@H+]1CCc2c(Cl)cccc2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000190900322 328239203 /nfs/dbraw/zinc/23/92/03/328239203.db2.gz NVRYLRIXXOOSDR-MRXNPFEDSA-N 2 2 362.905 2.188 10 0 FEAELP O=C(NCC[N@@H+]1CCc2c(Cl)cccc2C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000190900322 328239205 /nfs/dbraw/zinc/23/92/05/328239205.db2.gz NVRYLRIXXOOSDR-MRXNPFEDSA-N 2 2 362.905 2.188 10 0 FEAELP O=C(NCC[NH+]1CCc2c(Cl)cccc2C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190900322 328239207 /nfs/dbraw/zinc/23/92/07/328239207.db2.gz NVRYLRIXXOOSDR-MRXNPFEDSA-N 2 2 362.905 2.188 10 0 FEAELP O=C(NCC[NH+]1CCc2c(Cl)cccc2C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000190900322 328239208 /nfs/dbraw/zinc/23/92/08/328239208.db2.gz NVRYLRIXXOOSDR-MRXNPFEDSA-N 2 2 362.905 2.188 10 0 FEAELP Cc1csc([C@@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)n1 ZINC000191468141 328267035 /nfs/dbraw/zinc/26/70/35/328267035.db2.gz YKFQSYOBBBCAPL-KRWDZBQOSA-N 2 2 352.548 2.241 10 0 FEAELP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171641736 327150770 /nfs/dbraw/zinc/15/07/70/327150770.db2.gz HYRWQSYNRPJVPD-QGZVFWFLSA-N 2 2 368.481 2.278 10 0 FEAELP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171641736 327150771 /nfs/dbraw/zinc/15/07/71/327150771.db2.gz HYRWQSYNRPJVPD-QGZVFWFLSA-N 2 2 368.481 2.278 10 0 FEAELP COC(=O)c1sccc1NC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171643938 327150819 /nfs/dbraw/zinc/15/08/19/327150819.db2.gz XXHBQPPWPNSPHR-ZDUSSCGKSA-N 2 2 374.466 2.302 10 0 FEAELP COC(=O)c1sccc1NC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171643938 327150820 /nfs/dbraw/zinc/15/08/20/327150820.db2.gz XXHBQPPWPNSPHR-ZDUSSCGKSA-N 2 2 374.466 2.302 10 0 FEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc2C1 ZINC000171648024 327151746 /nfs/dbraw/zinc/15/17/46/327151746.db2.gz PFOXOWMIKRDPMR-QGZVFWFLSA-N 2 2 350.466 2.400 10 0 FEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc2C1 ZINC000171648024 327151747 /nfs/dbraw/zinc/15/17/47/327151747.db2.gz PFOXOWMIKRDPMR-QGZVFWFLSA-N 2 2 350.466 2.400 10 0 FEAELP Cn1ncc2c1nc[nH+]c2NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000171986634 327174645 /nfs/dbraw/zinc/17/46/45/327174645.db2.gz MOWKNNZAOAKOOX-SFHVURJKSA-N 2 2 366.469 2.221 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000173454427 327258304 /nfs/dbraw/zinc/25/83/04/327258304.db2.gz QRVIIWUOZYCSMU-KRWDZBQOSA-N 2 2 371.485 2.297 10 0 FEAELP C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173454633 327258317 /nfs/dbraw/zinc/25/83/17/327258317.db2.gz DJEVXGXRMTZTTQ-LPHOPBHVSA-N 2 2 371.485 2.079 10 0 FEAELP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173909743 327293684 /nfs/dbraw/zinc/29/36/84/327293684.db2.gz MWPBFLLZNRSPRK-PKOBYXMFSA-N 2 2 374.529 2.232 10 0 FEAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000261678521 328811035 /nfs/dbraw/zinc/81/10/35/328811035.db2.gz QCULMWSIYQQDPB-FWYSVENZSA-N 2 2 357.498 2.155 10 0 FEAELP C[C@@H](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175628375 546323139 /nfs/dbraw/zinc/32/31/39/546323139.db2.gz YZCITDRTNQJZGV-ICSRJNTNSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](CCNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175628375 546323144 /nfs/dbraw/zinc/32/31/44/546323144.db2.gz YZCITDRTNQJZGV-ICSRJNTNSA-N 2 2 374.529 2.013 10 0 FEAELP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177434405 546618077 /nfs/dbraw/zinc/61/80/77/546618077.db2.gz FQWIVTUBGIFHGA-RTBURBONSA-N 2 2 355.486 2.230 10 0 FEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188995515 548293171 /nfs/dbraw/zinc/29/31/71/548293171.db2.gz UWVSFKKZQNGWJG-SRMUXQRQSA-N 2 2 357.832 2.431 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC000195266936 548607626 /nfs/dbraw/zinc/60/76/26/548607626.db2.gz WBJWVBLPTHMLSW-CVEARBPZSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COC(C)(C)C)C1 ZINC000195266936 548607630 /nfs/dbraw/zinc/60/76/30/548607630.db2.gz WBJWVBLPTHMLSW-CVEARBPZSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000195266936 548607635 /nfs/dbraw/zinc/60/76/35/548607635.db2.gz WBJWVBLPTHMLSW-CVEARBPZSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COC(C)(C)C)C1 ZINC000195266936 548607638 /nfs/dbraw/zinc/60/76/38/548607638.db2.gz WBJWVBLPTHMLSW-CVEARBPZSA-N 2 2 355.548 2.381 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292385 548614901 /nfs/dbraw/zinc/61/49/01/548614901.db2.gz XMJPCHNQIZBOCP-KRWDZBQOSA-N 2 2 356.514 2.140 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292385 548614903 /nfs/dbraw/zinc/61/49/03/548614903.db2.gz XMJPCHNQIZBOCP-KRWDZBQOSA-N 2 2 356.514 2.140 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292385 548614907 /nfs/dbraw/zinc/61/49/07/548614907.db2.gz XMJPCHNQIZBOCP-KRWDZBQOSA-N 2 2 356.514 2.140 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NC(C2CC2)C2CC2)C1 ZINC000195292385 548614909 /nfs/dbraw/zinc/61/49/09/548614909.db2.gz XMJPCHNQIZBOCP-KRWDZBQOSA-N 2 2 356.514 2.140 10 0 FEAELP CC(C)CN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195296684 548615957 /nfs/dbraw/zinc/61/59/57/548615957.db2.gz DQIQZHUJXISYCQ-LJQANCHMSA-N 2 2 358.530 2.482 10 0 FEAELP CC(C)CN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000195296684 548615961 /nfs/dbraw/zinc/61/59/61/548615961.db2.gz DQIQZHUJXISYCQ-LJQANCHMSA-N 2 2 358.530 2.482 10 0 FEAELP CC(C)CN(C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195296684 548615965 /nfs/dbraw/zinc/61/59/65/548615965.db2.gz DQIQZHUJXISYCQ-LJQANCHMSA-N 2 2 358.530 2.482 10 0 FEAELP CC(C)CN(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000195296684 548615969 /nfs/dbraw/zinc/61/59/69/548615969.db2.gz DQIQZHUJXISYCQ-LJQANCHMSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246369678 549116701 /nfs/dbraw/zinc/11/67/01/549116701.db2.gz GHJSEZBYDYXPCF-PXNSSMCTSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246369678 549116702 /nfs/dbraw/zinc/11/67/02/549116702.db2.gz GHJSEZBYDYXPCF-PXNSSMCTSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246369678 549116705 /nfs/dbraw/zinc/11/67/05/549116705.db2.gz GHJSEZBYDYXPCF-PXNSSMCTSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246369678 549116706 /nfs/dbraw/zinc/11/67/06/549116706.db2.gz GHJSEZBYDYXPCF-PXNSSMCTSA-N 2 2 374.529 2.048 10 0 FEAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3[C@H](C)COC[C@H]3C)CC2)cc1 ZINC000247117635 549286092 /nfs/dbraw/zinc/28/60/92/549286092.db2.gz WEFGNCAEEIBSQQ-RTBURBONSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3[C@H](C)COC[C@H]3C)CC2)cc1 ZINC000247117635 549286097 /nfs/dbraw/zinc/28/60/97/549286097.db2.gz WEFGNCAEEIBSQQ-RTBURBONSA-N 2 2 359.514 2.139 10 0 FEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)no1 ZINC000261715925 549747008 /nfs/dbraw/zinc/74/70/08/549747008.db2.gz KTTPRESOOUXTAI-GFCCVEGCSA-N 2 2 358.377 2.097 10 0 FEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)no1 ZINC000261715925 549747011 /nfs/dbraw/zinc/74/70/11/549747011.db2.gz KTTPRESOOUXTAI-GFCCVEGCSA-N 2 2 358.377 2.097 10 0 FEAELP COC(=O)[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000262018861 549780447 /nfs/dbraw/zinc/78/04/47/549780447.db2.gz VXJPAUBEGQQJMP-QAPCUYQASA-N 2 2 365.905 2.171 10 0 FEAELP CC[N@H+](CCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000049174616 540383366 /nfs/dbraw/zinc/38/33/66/540383366.db2.gz CEAGDNNCQJPKFX-LJQANCHMSA-N 2 2 362.518 2.049 10 0 FEAELP CC[N@@H+](CCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000049174616 540383369 /nfs/dbraw/zinc/38/33/69/540383369.db2.gz CEAGDNNCQJPKFX-LJQANCHMSA-N 2 2 362.518 2.049 10 0 FEAELP CCN(C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000106129986 543205635 /nfs/dbraw/zinc/20/56/35/543205635.db2.gz PLRYYIZOSIIORG-UHFFFAOYSA-N 2 2 369.513 2.332 10 0 FEAELP CCN(C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000106129986 543205637 /nfs/dbraw/zinc/20/56/37/543205637.db2.gz PLRYYIZOSIIORG-UHFFFAOYSA-N 2 2 369.513 2.332 10 0 FEAELP COc1ccc(OCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130782 543205890 /nfs/dbraw/zinc/20/58/90/543205890.db2.gz CYMYNJKBWBEFTH-UHFFFAOYSA-N 2 2 358.486 2.367 10 0 FEAELP COc1ccc(OCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130782 543205893 /nfs/dbraw/zinc/20/58/93/543205893.db2.gz CYMYNJKBWBEFTH-UHFFFAOYSA-N 2 2 358.486 2.367 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000106217359 543219320 /nfs/dbraw/zinc/21/93/20/543219320.db2.gz JBHCVXNKBDNBEV-QGZVFWFLSA-N 2 2 369.469 2.108 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NCc2ccccc2)C1 ZINC000106217359 543219322 /nfs/dbraw/zinc/21/93/22/543219322.db2.gz JBHCVXNKBDNBEV-QGZVFWFLSA-N 2 2 369.469 2.108 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000117275880 543625310 /nfs/dbraw/zinc/62/53/10/543625310.db2.gz OKNUTHRSXPGJIK-QUCCMNQESA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000117275880 543625313 /nfs/dbraw/zinc/62/53/13/543625313.db2.gz OKNUTHRSXPGJIK-QUCCMNQESA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000117275880 543625316 /nfs/dbraw/zinc/62/53/16/543625316.db2.gz OKNUTHRSXPGJIK-QUCCMNQESA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000117275880 543625317 /nfs/dbraw/zinc/62/53/17/543625317.db2.gz OKNUTHRSXPGJIK-QUCCMNQESA-N 2 2 359.514 2.220 10 0 FEAELP CC[N@H+](CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000153322833 544761846 /nfs/dbraw/zinc/76/18/46/544761846.db2.gz SJRHSJRABULMTQ-INIZCTEOSA-N 2 2 351.516 2.064 10 0 FEAELP CC[N@@H+](CC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)C1CC1 ZINC000153322833 544761850 /nfs/dbraw/zinc/76/18/50/544761850.db2.gz SJRHSJRABULMTQ-INIZCTEOSA-N 2 2 351.516 2.064 10 0 FEAELP C[N@H+](CCOCC(F)(F)C(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182365 328133562 /nfs/dbraw/zinc/13/35/62/328133562.db2.gz UGMLZFYOZGSRCZ-UHFFFAOYSA-N 2 2 366.403 2.196 10 0 FEAELP C[N@@H+](CCOCC(F)(F)C(F)F)C1CC[NH+](CCn2cccn2)CC1 ZINC000189182365 328133564 /nfs/dbraw/zinc/13/35/64/328133564.db2.gz UGMLZFYOZGSRCZ-UHFFFAOYSA-N 2 2 366.403 2.196 10 0 FEAELP CC(C)N(C)c1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000190751793 328230079 /nfs/dbraw/zinc/23/00/79/328230079.db2.gz BADBEMDSDMXGOZ-NRFANRHFSA-N 2 2 368.525 2.435 10 0 FEAELP CC(C)N(C)c1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000190751793 328230080 /nfs/dbraw/zinc/23/00/80/328230080.db2.gz BADBEMDSDMXGOZ-NRFANRHFSA-N 2 2 368.525 2.435 10 0 FEAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccsc1 ZINC000077792919 325016831 /nfs/dbraw/zinc/01/68/31/325016831.db2.gz CEIPSJGAJCFPMF-NVXWUHKLSA-N 2 2 368.547 2.151 10 0 FEAELP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544377 325136063 /nfs/dbraw/zinc/13/60/63/325136063.db2.gz JKXCPDCTHKJHKT-LPHOPBHVSA-N 2 2 363.477 2.017 10 0 FEAELP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544377 325136066 /nfs/dbraw/zinc/13/60/66/325136066.db2.gz JKXCPDCTHKJHKT-LPHOPBHVSA-N 2 2 363.477 2.017 10 0 FEAELP CCc1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000116339639 326008611 /nfs/dbraw/zinc/00/86/11/326008611.db2.gz NJYAKNUMTVCPLX-GFCCVEGCSA-N 2 2 363.897 2.226 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@H]1CC ZINC000117024792 326047676 /nfs/dbraw/zinc/04/76/76/326047676.db2.gz AIIKLLFZBCSNKX-SJORKVTESA-N 2 2 366.506 2.025 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@H]1CC ZINC000117024792 326047680 /nfs/dbraw/zinc/04/76/80/326047680.db2.gz AIIKLLFZBCSNKX-SJORKVTESA-N 2 2 366.506 2.025 10 0 FEAELP Cc1cc(C)n2c(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)cnc2n1 ZINC000121214122 326322351 /nfs/dbraw/zinc/32/23/51/326322351.db2.gz JGZIGNUXPMFQMT-UHFFFAOYSA-N 2 2 367.501 2.139 10 0 FEAELP Cc1cc(C)n2c(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)cnc2n1 ZINC000121214122 326322353 /nfs/dbraw/zinc/32/23/53/326322353.db2.gz JGZIGNUXPMFQMT-UHFFFAOYSA-N 2 2 367.501 2.139 10 0 FEAELP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000151283324 326678699 /nfs/dbraw/zinc/67/86/99/326678699.db2.gz XDLUGOQYVXHHDY-GDBMZVCRSA-N 2 2 352.475 2.210 10 0 FEAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173173915 327239098 /nfs/dbraw/zinc/23/90/98/327239098.db2.gz PWVZMORYMCWFBG-VQIMIIECSA-N 2 2 371.485 2.343 10 0 FEAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173173915 327239099 /nfs/dbraw/zinc/23/90/99/327239099.db2.gz PWVZMORYMCWFBG-VQIMIIECSA-N 2 2 371.485 2.343 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)nc[nH+]1 ZINC000174285070 327317019 /nfs/dbraw/zinc/31/70/19/327317019.db2.gz DXGAOPXSHJOXGV-XGHPGWEVSA-N 2 2 374.533 2.160 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)nc[nH+]1 ZINC000174287040 327317311 /nfs/dbraw/zinc/31/73/11/327317311.db2.gz LAUYAWAQYSTRCY-CZUORRHYSA-N 2 2 372.448 2.243 10 0 FEAELP O=C(NCc1ccc(N2CCCC2)[nH+]c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177388279 327518630 /nfs/dbraw/zinc/51/86/30/327518630.db2.gz YYHYHVSGGZIXDM-QGZVFWFLSA-N 2 2 354.458 2.253 10 0 FEAELP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000263009469 328908191 /nfs/dbraw/zinc/90/81/91/328908191.db2.gz POJDADDRBREAEP-OAHLLOKOSA-N 2 2 359.367 2.043 10 0 FEAELP O[C@H](CNc1cc[nH+]c2cc(Br)ccc12)C[NH+]1CCOCC1 ZINC000269368901 329512251 /nfs/dbraw/zinc/51/22/51/329512251.db2.gz OSFFSVLXRMYHTO-CYBMUJFWSA-N 2 2 366.259 2.102 10 0 FEAELP C[N@H+](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000177592760 546650161 /nfs/dbraw/zinc/65/01/61/546650161.db2.gz QZVKPKPXTUJOSO-GOSISDBHSA-N 2 2 359.449 2.328 10 0 FEAELP C[N@@H+](CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000177592760 546650166 /nfs/dbraw/zinc/65/01/66/546650166.db2.gz QZVKPKPXTUJOSO-GOSISDBHSA-N 2 2 359.449 2.328 10 0 FEAELP C[C@H]([NH2+][C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653408 547151271 /nfs/dbraw/zinc/15/12/71/547151271.db2.gz QAYMDIUUVBEKQW-KXBFYZLASA-N 2 2 364.453 2.452 10 0 FEAELP C[C@H]1C[N@@H+]([C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CCO1 ZINC000183849874 547729123 /nfs/dbraw/zinc/72/91/23/547729123.db2.gz SKOVHHCCFBPEIB-YOEHRIQHSA-N 2 2 374.510 2.401 10 0 FEAELP C[C@H]1C[N@H+]([C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CCO1 ZINC000183849874 547729128 /nfs/dbraw/zinc/72/91/28/547729128.db2.gz SKOVHHCCFBPEIB-YOEHRIQHSA-N 2 2 374.510 2.401 10 0 FEAELP CCC[C@H](C(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000245759486 548989965 /nfs/dbraw/zinc/98/99/65/548989965.db2.gz IEVGZJLBPHWTAV-XHSDSOJGSA-N 2 2 353.532 2.356 10 0 FEAELP CCC[C@H](C(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1)[NH+](C)C ZINC000245759486 548989968 /nfs/dbraw/zinc/98/99/68/548989968.db2.gz IEVGZJLBPHWTAV-XHSDSOJGSA-N 2 2 353.532 2.356 10 0 FEAELP C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245844094 549002421 /nfs/dbraw/zinc/00/24/21/549002421.db2.gz KOBJAHBQCIHGPP-AEFFLSMTSA-N 2 2 355.486 2.370 10 0 FEAELP C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000245844094 549002427 /nfs/dbraw/zinc/00/24/27/549002427.db2.gz KOBJAHBQCIHGPP-AEFFLSMTSA-N 2 2 355.486 2.370 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000245976124 549030272 /nfs/dbraw/zinc/03/02/72/549030272.db2.gz AAJOEPJQBOOWOV-SJORKVTESA-N 2 2 373.501 2.317 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000245976124 549030275 /nfs/dbraw/zinc/03/02/75/549030275.db2.gz AAJOEPJQBOOWOV-SJORKVTESA-N 2 2 373.501 2.317 10 0 FEAELP CCC(CC)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246419306 549129462 /nfs/dbraw/zinc/12/94/62/549129462.db2.gz LVZNQCHNEFADQK-OALUTQOASA-N 2 2 366.550 2.003 10 0 FEAELP CCC(CC)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246419306 549129468 /nfs/dbraw/zinc/12/94/68/549129468.db2.gz LVZNQCHNEFADQK-OALUTQOASA-N 2 2 366.550 2.003 10 0 FEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000248646147 549475779 /nfs/dbraw/zinc/47/57/79/549475779.db2.gz ROARZGITGCCYFW-MSOLQXFVSA-N 2 2 351.466 2.046 10 0 FEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000248646147 549475781 /nfs/dbraw/zinc/47/57/81/549475781.db2.gz ROARZGITGCCYFW-MSOLQXFVSA-N 2 2 351.466 2.046 10 0 FEAELP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000261748502 549751688 /nfs/dbraw/zinc/75/16/88/549751688.db2.gz FBYNNDIDOJKSTE-HNNXBMFYSA-N 2 2 369.868 2.068 10 0 FEAELP [NH3+]C1(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCOCC1 ZINC000261748502 549751692 /nfs/dbraw/zinc/75/16/92/549751692.db2.gz FBYNNDIDOJKSTE-HNNXBMFYSA-N 2 2 369.868 2.068 10 0 FEAELP C[C@]([NH3+])(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000261761040 549752662 /nfs/dbraw/zinc/75/26/62/549752662.db2.gz NLWIURXQSRQPFK-DOTOQJQBSA-N 2 2 366.303 2.320 10 0 FEAELP C[C@]([NH3+])(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000261761040 549752664 /nfs/dbraw/zinc/75/26/64/549752664.db2.gz NLWIURXQSRQPFK-DOTOQJQBSA-N 2 2 366.303 2.320 10 0 FEAELP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000261992569 549777815 /nfs/dbraw/zinc/77/78/15/549777815.db2.gz SXIFOMMUWZALCP-CIAFKFPVSA-N 3 2 357.542 2.298 10 0 FEAELP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000261992569 549777818 /nfs/dbraw/zinc/77/78/18/549777818.db2.gz SXIFOMMUWZALCP-CIAFKFPVSA-N 3 2 357.542 2.298 10 0 FEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262954786 549865303 /nfs/dbraw/zinc/86/53/03/549865303.db2.gz KCUOYOBIZGFLDB-HKUYNNGSSA-N 2 2 363.452 2.498 10 0 FEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262954786 549865307 /nfs/dbraw/zinc/86/53/07/549865307.db2.gz KCUOYOBIZGFLDB-HKUYNNGSSA-N 2 2 363.452 2.498 10 0 FEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262954799 549865482 /nfs/dbraw/zinc/86/54/82/549865482.db2.gz KCUOYOBIZGFLDB-MJGOQNOKSA-N 2 2 363.452 2.498 10 0 FEAELP O=C([C@H]1CC(F)(F)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262954799 549865484 /nfs/dbraw/zinc/86/54/84/549865484.db2.gz KCUOYOBIZGFLDB-MJGOQNOKSA-N 2 2 363.452 2.498 10 0 FEAELP Cc1ccc([C@@H](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)[NH+](C)C)cc1 ZINC000301281517 553638721 /nfs/dbraw/zinc/63/87/21/553638721.db2.gz XURIFCCOHXFFGX-ZWKOTPCHSA-N 2 2 355.486 2.461 10 0 FEAELP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130079081 672070493 /nfs/dbraw/zinc/07/04/93/672070493.db2.gz FAZZVMJHHCTQRG-IRXDYDNUSA-N 2 2 355.523 2.334 10 0 FEAELP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130079081 672070497 /nfs/dbraw/zinc/07/04/97/672070497.db2.gz FAZZVMJHHCTQRG-IRXDYDNUSA-N 2 2 355.523 2.334 10 0 FEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248635581 672859183 /nfs/dbraw/zinc/85/91/83/672859183.db2.gz ULBCYNKDSPFJKR-ULQDDVLXSA-N 2 2 355.523 2.475 10 0 FEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248635581 672859186 /nfs/dbraw/zinc/85/91/86/672859186.db2.gz ULBCYNKDSPFJKR-ULQDDVLXSA-N 2 2 355.523 2.475 10 0 FEAELP O=C(C[N@@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000034786912 539977784 /nfs/dbraw/zinc/97/77/84/539977784.db2.gz TYSNHYAYXXIUSA-LJQANCHMSA-N 2 2 359.470 2.267 10 0 FEAELP O=C(C[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CC[NH2+]CC1 ZINC000034786912 539977788 /nfs/dbraw/zinc/97/77/88/539977788.db2.gz TYSNHYAYXXIUSA-LJQANCHMSA-N 2 2 359.470 2.267 10 0 FEAELP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000048828824 540374314 /nfs/dbraw/zinc/37/43/14/540374314.db2.gz RJKYMFCDFXGHKP-QGZVFWFLSA-N 2 2 362.518 2.047 10 0 FEAELP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000048828824 540374319 /nfs/dbraw/zinc/37/43/19/540374319.db2.gz RJKYMFCDFXGHKP-QGZVFWFLSA-N 2 2 362.518 2.047 10 0 FEAELP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000051116989 540422835 /nfs/dbraw/zinc/42/28/35/540422835.db2.gz JRJWHPNKBJHBEA-RTBURBONSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000051116989 540422837 /nfs/dbraw/zinc/42/28/37/540422837.db2.gz JRJWHPNKBJHBEA-RTBURBONSA-N 2 2 359.514 2.139 10 0 FEAELP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000065517324 541242674 /nfs/dbraw/zinc/24/26/74/541242674.db2.gz JNYFTLBAKWTYMY-QUCCMNQESA-N 2 2 374.529 2.061 10 0 FEAELP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000065517324 541242678 /nfs/dbraw/zinc/24/26/78/541242678.db2.gz JNYFTLBAKWTYMY-QUCCMNQESA-N 2 2 374.529 2.061 10 0 FEAELP COc1ccc(-c2n[nH]cc2C[NH2+]CC[N@@H+]2CCCC[C@@H]2CO)c(F)c1 ZINC000022851160 204788260 /nfs/dbraw/zinc/78/82/60/204788260.db2.gz PZSWXSLYDJRLQN-OAHLLOKOSA-N 2 2 362.449 2.161 10 0 FEAELP COc1ccc(-c2n[nH]cc2C[NH2+]CC[N@H+]2CCCC[C@@H]2CO)c(F)c1 ZINC000022851160 204788263 /nfs/dbraw/zinc/78/82/63/204788263.db2.gz PZSWXSLYDJRLQN-OAHLLOKOSA-N 2 2 362.449 2.161 10 0 FEAELP Cc1cc(C(F)(F)F)cc(N2CCC(c3[nH+]ccn3CC(N)=O)CC2)[nH+]1 ZINC000095512398 132213154 /nfs/dbraw/zinc/21/31/54/132213154.db2.gz SSCIHCWHNXFMCN-UHFFFAOYSA-N 2 2 367.375 2.475 10 0 FEAELP C[N@H+](Cc1ccc2c(c1)OCCO2)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128402 543205825 /nfs/dbraw/zinc/20/58/25/543205825.db2.gz PKEYGYRQDAXBGA-UHFFFAOYSA-N 2 2 356.470 2.251 10 0 FEAELP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128402 543205828 /nfs/dbraw/zinc/20/58/28/543205828.db2.gz PKEYGYRQDAXBGA-UHFFFAOYSA-N 2 2 356.470 2.251 10 0 FEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000106428697 543229837 /nfs/dbraw/zinc/22/98/37/543229837.db2.gz UKCFEEDQGPVJKG-LJQANCHMSA-N 2 2 352.482 2.471 10 0 FEAELP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000136966285 544381840 /nfs/dbraw/zinc/38/18/40/544381840.db2.gz MYBBHFBRZNRQLZ-MRXNPFEDSA-N 2 2 370.501 2.160 10 0 FEAELP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151109087 544506039 /nfs/dbraw/zinc/50/60/39/544506039.db2.gz DWYBJRHGZJKPOE-RTBURBONSA-N 2 2 371.481 2.402 10 0 FEAELP COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000151109087 544506045 /nfs/dbraw/zinc/50/60/45/544506045.db2.gz DWYBJRHGZJKPOE-RTBURBONSA-N 2 2 371.481 2.402 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000153177818 544743846 /nfs/dbraw/zinc/74/38/46/544743846.db2.gz XFKJYGYUYSMKSK-ZWKOTPCHSA-N 2 2 355.438 2.239 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000153177818 544743849 /nfs/dbraw/zinc/74/38/49/544743849.db2.gz XFKJYGYUYSMKSK-ZWKOTPCHSA-N 2 2 355.438 2.239 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]C2CCN(CC(F)(F)F)CC2)nc[nH+]1 ZINC000183216808 327807358 /nfs/dbraw/zinc/80/73/58/327807358.db2.gz FMKQPSWBONFXCN-AWEZNQCLSA-N 2 2 372.439 2.103 10 0 FEAELP CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCN(C(C)=O)CC2)c1)[NH+](C)C ZINC000187141348 328004602 /nfs/dbraw/zinc/00/46/02/328004602.db2.gz RYWUWLGDWFCGJX-IBGZPJMESA-N 2 2 360.502 2.020 10 0 FEAELP COc1c(Br)cccc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000187158540 328005588 /nfs/dbraw/zinc/00/55/88/328005588.db2.gz LUVLJTYSVBTLNY-CQSZACIVSA-N 2 2 357.292 2.394 10 0 FEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000189918596 328176050 /nfs/dbraw/zinc/17/60/50/328176050.db2.gz FOGFBEOHKSTLHJ-PXNSSMCTSA-N 2 2 359.514 2.267 10 0 FEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1COCC[NH+]1C1CCCC1 ZINC000189918596 328176051 /nfs/dbraw/zinc/17/60/51/328176051.db2.gz FOGFBEOHKSTLHJ-PXNSSMCTSA-N 2 2 359.514 2.267 10 0 FEAELP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000189918596 328176052 /nfs/dbraw/zinc/17/60/52/328176052.db2.gz FOGFBEOHKSTLHJ-PXNSSMCTSA-N 2 2 359.514 2.267 10 0 FEAELP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000189918596 328176053 /nfs/dbraw/zinc/17/60/53/328176053.db2.gz FOGFBEOHKSTLHJ-PXNSSMCTSA-N 2 2 359.514 2.267 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000192613402 328328684 /nfs/dbraw/zinc/32/86/84/328328684.db2.gz SKYMNKHHUNXXKB-INIZCTEOSA-N 2 2 351.447 2.269 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000192613402 328328685 /nfs/dbraw/zinc/32/86/85/328328685.db2.gz SKYMNKHHUNXXKB-INIZCTEOSA-N 2 2 351.447 2.269 10 0 FEAELP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000086364615 325263006 /nfs/dbraw/zinc/26/30/06/325263006.db2.gz MUVBXEODLHWVGO-JKSUJKDBSA-N 2 2 371.485 2.262 10 0 FEAELP Cn1cc[nH+]c1CC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000128723835 326528907 /nfs/dbraw/zinc/52/89/07/326528907.db2.gz UOJXJWWOCDXOEH-KRWDZBQOSA-N 2 2 368.485 2.058 10 0 FEAELP C[C@@H]([NH3+])C(=O)N1CC[NH+](CCOC(c2ccccc2)c2ccccc2)CC1 ZINC000157567766 326868968 /nfs/dbraw/zinc/86/89/68/326868968.db2.gz QBUMPKKZHHWUQA-GOSISDBHSA-N 2 2 367.493 2.284 10 0 FEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCOc1cccc(F)c1 ZINC000171641760 327150705 /nfs/dbraw/zinc/15/07/05/327150705.db2.gz QMXHHQZEHAPKKC-INIZCTEOSA-N 2 2 372.444 2.150 10 0 FEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCOc1cccc(F)c1 ZINC000171641760 327150706 /nfs/dbraw/zinc/15/07/06/327150706.db2.gz QMXHHQZEHAPKKC-INIZCTEOSA-N 2 2 372.444 2.150 10 0 FEAELP COC(=O)c1sccc1NC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643935 327150716 /nfs/dbraw/zinc/15/07/16/327150716.db2.gz XXHBQPPWPNSPHR-CYBMUJFWSA-N 2 2 374.466 2.302 10 0 FEAELP COC(=O)c1sccc1NC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171643935 327150718 /nfs/dbraw/zinc/15/07/18/327150718.db2.gz XXHBQPPWPNSPHR-CYBMUJFWSA-N 2 2 374.466 2.302 10 0 FEAELP COc1cc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(OC)c1 ZINC000171647475 327151307 /nfs/dbraw/zinc/15/13/07/327151307.db2.gz VGBWGCQTEUOTMB-OAHLLOKOSA-N 2 2 370.453 2.471 10 0 FEAELP COc1cc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(OC)c1 ZINC000171647475 327151308 /nfs/dbraw/zinc/15/13/08/327151308.db2.gz VGBWGCQTEUOTMB-OAHLLOKOSA-N 2 2 370.453 2.471 10 0 FEAELP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000175363919 327389219 /nfs/dbraw/zinc/38/92/19/327389219.db2.gz UMUNJGBQZOIAEA-QGZVFWFLSA-N 2 2 365.547 2.153 10 0 FEAELP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000175363919 327389220 /nfs/dbraw/zinc/38/92/20/327389220.db2.gz UMUNJGBQZOIAEA-QGZVFWFLSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000175363919 327389221 /nfs/dbraw/zinc/38/92/21/327389221.db2.gz UMUNJGBQZOIAEA-QGZVFWFLSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000175363919 327389222 /nfs/dbraw/zinc/38/92/22/327389222.db2.gz UMUNJGBQZOIAEA-QGZVFWFLSA-N 2 2 365.547 2.153 10 0 FEAELP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000263009467 518199401 /nfs/dbraw/zinc/19/94/01/518199401.db2.gz POJDADDRBREAEP-HNNXBMFYSA-N 2 2 359.367 2.043 10 0 FEAELP CC[N@H+](CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000275601436 520315638 /nfs/dbraw/zinc/31/56/38/520315638.db2.gz KXXYUXMJHICWMC-QGZVFWFLSA-N 2 2 358.486 2.146 10 0 FEAELP CC[N@@H+](CC(=O)N1CC[C@@H](Oc2ccc[nH+]c2N2CCCC2)C1)C1CC1 ZINC000275601436 520315647 /nfs/dbraw/zinc/31/56/47/520315647.db2.gz KXXYUXMJHICWMC-QGZVFWFLSA-N 2 2 358.486 2.146 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)s1 ZINC000156358313 545621699 /nfs/dbraw/zinc/62/16/99/545621699.db2.gz SYOJBUQHOQYSQA-UHFFFAOYSA-N 2 2 358.511 2.471 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000159158131 545927347 /nfs/dbraw/zinc/92/73/47/545927347.db2.gz IORVKENOZNOWKK-RTBURBONSA-N 2 2 355.486 2.356 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccccc1 ZINC000159158131 545927351 /nfs/dbraw/zinc/92/73/51/545927351.db2.gz IORVKENOZNOWKK-RTBURBONSA-N 2 2 355.486 2.356 10 0 FEAELP COC(=O)c1sccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178327260 546775982 /nfs/dbraw/zinc/77/59/82/546775982.db2.gz PSYPNVCKXXOSIG-CYBMUJFWSA-N 2 2 362.455 2.143 10 0 FEAELP COC(=O)c1sccc1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178327260 546775990 /nfs/dbraw/zinc/77/59/90/546775990.db2.gz PSYPNVCKXXOSIG-CYBMUJFWSA-N 2 2 362.455 2.143 10 0 FEAELP Cc1nc(C[N@H+]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cs1 ZINC000183562865 547681225 /nfs/dbraw/zinc/68/12/25/547681225.db2.gz HOUOPEHQOQQJAA-UHFFFAOYSA-N 2 2 359.499 2.261 10 0 FEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cs1 ZINC000183562865 547681228 /nfs/dbraw/zinc/68/12/28/547681228.db2.gz HOUOPEHQOQQJAA-UHFFFAOYSA-N 2 2 359.499 2.261 10 0 FEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000184356180 547812441 /nfs/dbraw/zinc/81/24/41/547812441.db2.gz GQUVPZIEDYELDF-ZWKOTPCHSA-N 2 2 363.502 2.342 10 0 FEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000184356180 547812443 /nfs/dbraw/zinc/81/24/43/547812443.db2.gz GQUVPZIEDYELDF-ZWKOTPCHSA-N 2 2 363.502 2.342 10 0 FEAELP CC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000188995489 548292726 /nfs/dbraw/zinc/29/27/26/548292726.db2.gz UWVSFKKZQNGWJG-KSYCFECVSA-N 2 2 357.832 2.431 10 0 FEAELP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258442 548604950 /nfs/dbraw/zinc/60/49/50/548604950.db2.gz YQVAOZQBJYCZTM-HZPDHXFCSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195258442 548604954 /nfs/dbraw/zinc/60/49/54/548604954.db2.gz YQVAOZQBJYCZTM-HZPDHXFCSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195258442 548604957 /nfs/dbraw/zinc/60/49/57/548604957.db2.gz YQVAOZQBJYCZTM-HZPDHXFCSA-N 2 2 352.548 2.462 10 0 FEAELP CCN(CC)C(=O)[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195258442 548604962 /nfs/dbraw/zinc/60/49/62/548604962.db2.gz YQVAOZQBJYCZTM-HZPDHXFCSA-N 2 2 352.548 2.462 10 0 FEAELP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277966 548610674 /nfs/dbraw/zinc/61/06/74/548610674.db2.gz BKSBBSFGZDUUSI-UYAOXDASSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277966 548610678 /nfs/dbraw/zinc/61/06/78/548610678.db2.gz BKSBBSFGZDUUSI-UYAOXDASSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195277966 548610681 /nfs/dbraw/zinc/61/06/81/548610681.db2.gz BKSBBSFGZDUUSI-UYAOXDASSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195277966 548610683 /nfs/dbraw/zinc/61/06/83/548610683.db2.gz BKSBBSFGZDUUSI-UYAOXDASSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000245916487 549018947 /nfs/dbraw/zinc/01/89/47/549018947.db2.gz WQTAPPAFORHRFQ-IKGGRYGDSA-N 2 2 371.485 2.030 10 0 FEAELP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000245916487 549018951 /nfs/dbraw/zinc/01/89/51/549018951.db2.gz WQTAPPAFORHRFQ-IKGGRYGDSA-N 2 2 371.485 2.030 10 0 FEAELP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000261886630 549765888 /nfs/dbraw/zinc/76/58/88/549765888.db2.gz FYXOLDNNEWCIRX-AQNXPRMDSA-N 3 2 365.562 2.157 10 0 FEAELP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)n1 ZINC000261962990 549774804 /nfs/dbraw/zinc/77/48/04/549774804.db2.gz PUMWIMMYGDNGDI-XUVXKRRUSA-N 2 2 354.498 2.373 10 0 FEAELP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000262564919 549828398 /nfs/dbraw/zinc/82/83/98/549828398.db2.gz WJXBTFRLSWQMJU-OAHLLOKOSA-N 2 2 368.319 2.481 10 0 FEAELP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000262564919 549828400 /nfs/dbraw/zinc/82/84/00/549828400.db2.gz WJXBTFRLSWQMJU-OAHLLOKOSA-N 2 2 368.319 2.481 10 0 FEAELP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262998605 549870112 /nfs/dbraw/zinc/87/01/12/549870112.db2.gz OMIUSBWCVMEXOL-DLBZAZTESA-N 2 2 351.441 2.354 10 0 FEAELP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262998605 549870114 /nfs/dbraw/zinc/87/01/14/549870114.db2.gz OMIUSBWCVMEXOL-DLBZAZTESA-N 2 2 351.441 2.354 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000301686770 553671948 /nfs/dbraw/zinc/67/19/48/553671948.db2.gz XFKJYGYUYSMKSK-MSOLQXFVSA-N 2 2 355.438 2.239 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000301686770 553671951 /nfs/dbraw/zinc/67/19/51/553671951.db2.gz XFKJYGYUYSMKSK-MSOLQXFVSA-N 2 2 355.438 2.239 10 0 FEAELP C[NH+]1CCN(Nc2[nH+]cnc(Nc3cccc(C(F)(F)F)c3)c2N)CC1 ZINC000040756895 205080607 /nfs/dbraw/zinc/08/06/07/205080607.db2.gz UGDMGXWZYOVGDT-UHFFFAOYSA-N 2 2 367.379 2.396 10 0 FEAELP COc1ccc(Cl)cc1Nc1nc[nH+]c(NN2CC[NH+](C)CC2)c1N ZINC000040702359 205076848 /nfs/dbraw/zinc/07/68/48/205076848.db2.gz XURKFRQJOJXUDF-UHFFFAOYSA-N 2 2 363.853 2.039 10 0 FEAELP CC[NH+]1CCN(C2=[NH+]CCN2C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000065306416 205335928 /nfs/dbraw/zinc/33/59/28/205335928.db2.gz MDYCZLLJEZXVGY-UHFFFAOYSA-N 2 2 354.376 2.155 10 0 FEAELP O=S(=O)(c1nn(C[C@@H]2CCC[NH2+]C2)c2cc[nH+]cc21)c1ccccc1 ZINC000135909458 206128074 /nfs/dbraw/zinc/12/80/74/206128074.db2.gz VUGMRSNVZMRRII-CQSZACIVSA-N 2 2 356.451 2.264 10 0 FEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000106123009 543203289 /nfs/dbraw/zinc/20/32/89/543203289.db2.gz UVSDPEDZUACGSS-NRFANRHFSA-N 2 2 361.530 2.182 10 0 FEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000106123009 543203294 /nfs/dbraw/zinc/20/32/94/543203294.db2.gz UVSDPEDZUACGSS-NRFANRHFSA-N 2 2 361.530 2.182 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106217396 543219113 /nfs/dbraw/zinc/21/91/13/543219113.db2.gz IOGQZIWXMTXSBQ-WMLDXEAASA-N 2 2 369.469 2.209 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106217396 543219114 /nfs/dbraw/zinc/21/91/14/543219114.db2.gz IOGQZIWXMTXSBQ-WMLDXEAASA-N 2 2 369.469 2.209 10 0 FEAELP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000106903117 543254212 /nfs/dbraw/zinc/25/42/12/543254212.db2.gz QUNOSZHPGHWNLA-ZIFCJYIRSA-N 2 2 361.530 2.163 10 0 FEAELP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000106903117 543254215 /nfs/dbraw/zinc/25/42/15/543254215.db2.gz QUNOSZHPGHWNLA-ZIFCJYIRSA-N 2 2 361.530 2.163 10 0 FEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000129479927 544114134 /nfs/dbraw/zinc/11/41/34/544114134.db2.gz WVPUEHPKVXJXTE-GOSISDBHSA-N 2 2 369.469 2.047 10 0 FEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000129479927 544114136 /nfs/dbraw/zinc/11/41/36/544114136.db2.gz WVPUEHPKVXJXTE-GOSISDBHSA-N 2 2 369.469 2.047 10 0 FEAELP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)CCCC2)no1 ZINC000236942757 328499042 /nfs/dbraw/zinc/49/90/42/328499042.db2.gz BQVDFJXPKCLEGQ-LSDHHAIUSA-N 2 2 363.506 2.314 10 0 FEAELP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000127147485 326501214 /nfs/dbraw/zinc/50/12/14/326501214.db2.gz HIFINQPZQPNCNX-MSOLQXFVSA-N 2 2 353.470 2.262 10 0 FEAELP COCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171641742 327150843 /nfs/dbraw/zinc/15/08/43/327150843.db2.gz HYRWQSYNRPJVPD-KRWDZBQOSA-N 2 2 368.481 2.278 10 0 FEAELP COCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171641742 327150844 /nfs/dbraw/zinc/15/08/44/327150844.db2.gz HYRWQSYNRPJVPD-KRWDZBQOSA-N 2 2 368.481 2.278 10 0 FEAELP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648223 327151519 /nfs/dbraw/zinc/15/15/19/327151519.db2.gz NZNITWDRVADVHM-HNNXBMFYSA-N 2 2 350.422 2.112 10 0 FEAELP O=C1c2ccccc2C(=O)N1CC[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171648223 327151521 /nfs/dbraw/zinc/15/15/21/327151521.db2.gz NZNITWDRVADVHM-HNNXBMFYSA-N 2 2 350.422 2.112 10 0 FEAELP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)CC2)cs1 ZINC000171922386 327170420 /nfs/dbraw/zinc/17/04/20/327170420.db2.gz NUVKBMPYIABGSR-SFHVURJKSA-N 2 2 362.543 2.360 10 0 FEAELP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)CC2)cs1 ZINC000171922386 327170421 /nfs/dbraw/zinc/17/04/21/327170421.db2.gz NUVKBMPYIABGSR-SFHVURJKSA-N 2 2 362.543 2.360 10 0 FEAELP CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@H]([NH2+]C1CCOCC1)C(C)C)C2 ZINC000173549849 327265677 /nfs/dbraw/zinc/26/56/77/327265677.db2.gz CZUBGXFIKIKXAW-GOSISDBHSA-N 2 2 362.518 2.221 10 0 FEAELP C[NH+](C)Cc1nc(C2(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])CCCCCC2)no1 ZINC000261649705 328808813 /nfs/dbraw/zinc/80/88/13/328808813.db2.gz DLULDCWHDNFLFX-HUUCEWRRSA-N 2 2 363.506 2.172 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000262736846 328885433 /nfs/dbraw/zinc/88/54/33/328885433.db2.gz CGCFKYZWXMRGHE-FRQCXROJSA-N 2 2 365.543 2.487 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)s1 ZINC000176565713 546462173 /nfs/dbraw/zinc/46/21/73/546462173.db2.gz UFJULOKSLLKGKR-HOTGVXAUSA-N 2 2 365.547 2.152 10 0 FEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000177310772 546592517 /nfs/dbraw/zinc/59/25/17/546592517.db2.gz NHKOWEVBHHDVHK-FQEVSTJZSA-N 2 2 374.529 2.145 10 0 FEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000177310772 546592521 /nfs/dbraw/zinc/59/25/21/546592521.db2.gz NHKOWEVBHHDVHK-FQEVSTJZSA-N 2 2 374.529 2.145 10 0 FEAELP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177385348 546606167 /nfs/dbraw/zinc/60/61/67/546606167.db2.gz RQZGLHLDLHISDD-ROUUACIJSA-N 2 2 360.546 2.210 10 0 FEAELP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177385348 546606173 /nfs/dbraw/zinc/60/61/73/546606173.db2.gz RQZGLHLDLHISDD-ROUUACIJSA-N 2 2 360.546 2.210 10 0 FEAELP C[C@H](NC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177385348 546606176 /nfs/dbraw/zinc/60/61/76/546606176.db2.gz RQZGLHLDLHISDD-ROUUACIJSA-N 2 2 360.546 2.210 10 0 FEAELP C[C@H](NC(=O)[C@H](C)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000177385348 546606182 /nfs/dbraw/zinc/60/61/82/546606182.db2.gz RQZGLHLDLHISDD-ROUUACIJSA-N 2 2 360.546 2.210 10 0 FEAELP CNC(=O)Cc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000177590138 546649363 /nfs/dbraw/zinc/64/93/63/546649363.db2.gz MKNZBHMUROTNNS-CQSZACIVSA-N 2 2 359.499 2.069 10 0 FEAELP CNC(=O)Cc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000177590138 546649365 /nfs/dbraw/zinc/64/93/65/546649365.db2.gz MKNZBHMUROTNNS-CQSZACIVSA-N 2 2 359.499 2.069 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000178286541 546769257 /nfs/dbraw/zinc/76/92/57/546769257.db2.gz LOSKTFFKRYWYPX-KRWDZBQOSA-N 2 2 362.499 2.106 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000178286541 546769262 /nfs/dbraw/zinc/76/92/62/546769262.db2.gz LOSKTFFKRYWYPX-KRWDZBQOSA-N 2 2 362.499 2.106 10 0 FEAELP COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178320837 546775083 /nfs/dbraw/zinc/77/50/83/546775083.db2.gz FMLKQDSYRPJJPT-MOPGFXCFSA-N 2 2 359.470 2.242 10 0 FEAELP COc1cccc(COC[C@@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178320837 546775088 /nfs/dbraw/zinc/77/50/88/546775088.db2.gz FMLKQDSYRPJJPT-MOPGFXCFSA-N 2 2 359.470 2.242 10 0 FEAELP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(-c3ccsc3)n2)CC1 ZINC000178358134 546781052 /nfs/dbraw/zinc/78/10/52/546781052.db2.gz GZKPBFHRLKSMKW-ZDUSSCGKSA-N 2 2 350.488 2.323 10 0 FEAELP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(-c3ccsc3)n2)CC1 ZINC000178358134 546781056 /nfs/dbraw/zinc/78/10/56/546781056.db2.gz GZKPBFHRLKSMKW-ZDUSSCGKSA-N 2 2 350.488 2.323 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000195272557 548607886 /nfs/dbraw/zinc/60/78/86/548607886.db2.gz WXPGGJOSKYVMQU-VXKWHMMOSA-N 2 2 369.509 2.413 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccccc2)C1 ZINC000195272557 548607890 /nfs/dbraw/zinc/60/78/90/548607890.db2.gz WXPGGJOSKYVMQU-VXKWHMMOSA-N 2 2 369.509 2.413 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000195272557 548607892 /nfs/dbraw/zinc/60/78/92/548607892.db2.gz WXPGGJOSKYVMQU-VXKWHMMOSA-N 2 2 369.509 2.413 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C1 ZINC000195272557 548607895 /nfs/dbraw/zinc/60/78/95/548607895.db2.gz WXPGGJOSKYVMQU-VXKWHMMOSA-N 2 2 369.509 2.413 10 0 FEAELP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281965 548611243 /nfs/dbraw/zinc/61/12/43/548611243.db2.gz HGSPMGGXOLNSLA-OAQYLSRUSA-N 2 2 366.509 2.494 10 0 FEAELP CN(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195281965 548611246 /nfs/dbraw/zinc/61/12/46/548611246.db2.gz HGSPMGGXOLNSLA-OAQYLSRUSA-N 2 2 366.509 2.494 10 0 FEAELP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195281965 548611248 /nfs/dbraw/zinc/61/12/48/548611248.db2.gz HGSPMGGXOLNSLA-OAQYLSRUSA-N 2 2 366.509 2.494 10 0 FEAELP CN(Cc1ccccc1)C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195281965 548611253 /nfs/dbraw/zinc/61/12/53/548611253.db2.gz HGSPMGGXOLNSLA-OAQYLSRUSA-N 2 2 366.509 2.494 10 0 FEAELP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)CCCC2)no1 ZINC000236942783 548789563 /nfs/dbraw/zinc/78/95/63/548789563.db2.gz BQVDFJXPKCLEGQ-GJZGRUSLSA-N 2 2 363.506 2.314 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000245790762 548994449 /nfs/dbraw/zinc/99/44/49/548994449.db2.gz BBVDMMYXYYYBHY-KURKYZTESA-N 2 2 361.534 2.199 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000245790762 548994452 /nfs/dbraw/zinc/99/44/52/548994452.db2.gz BBVDMMYXYYYBHY-KURKYZTESA-N 2 2 361.534 2.199 10 0 FEAELP COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000246898169 549237910 /nfs/dbraw/zinc/23/79/10/549237910.db2.gz FMLKQDSYRPJJPT-RTBURBONSA-N 2 2 359.470 2.242 10 0 FEAELP COc1cccc(COC[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000246898169 549237914 /nfs/dbraw/zinc/23/79/14/549237914.db2.gz FMLKQDSYRPJJPT-RTBURBONSA-N 2 2 359.470 2.242 10 0 FEAELP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)c2)CC1 ZINC000263184057 549883944 /nfs/dbraw/zinc/88/39/44/549883944.db2.gz HBBVZPVEJZZPAQ-INIZCTEOSA-N 2 2 352.429 2.153 10 0 FEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4c(cc3Br)OCCO4)C[C@@H]12 ZINC000261799090 672903450 /nfs/dbraw/zinc/90/34/50/672903450.db2.gz YNXSCGTZYJCELL-ZKYQVNSYSA-N 2 2 353.260 2.389 10 0 FEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)C[C@@H]12 ZINC000261799090 672903453 /nfs/dbraw/zinc/90/34/53/672903453.db2.gz YNXSCGTZYJCELL-ZKYQVNSYSA-N 2 2 353.260 2.389 10 0 FEAELP Cc1nc(N2CC[NH+](C[C@@H](C)O)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000036340178 539988943 /nfs/dbraw/zinc/98/89/43/539988943.db2.gz OGFWRVNRRVZPMB-CQSZACIVSA-N 2 2 358.461 2.326 10 0 FEAELP C[N@H+](CCNC(=O)CCc1cc[nH+]c(N2CCOCC2)c1)C1CCCCC1 ZINC000065269882 205332492 /nfs/dbraw/zinc/33/24/92/205332492.db2.gz MJLPABXJCIOZDG-UHFFFAOYSA-N 2 2 374.529 2.232 10 0 FEAELP C[N@@H+](CCNC(=O)CCc1cc[nH+]c(N2CCOCC2)c1)C1CCCCC1 ZINC000065269882 205332495 /nfs/dbraw/zinc/33/24/95/205332495.db2.gz MJLPABXJCIOZDG-UHFFFAOYSA-N 2 2 374.529 2.232 10 0 FEAELP O=S(=O)(c1nn(C[C@H]2CCC[NH2+]C2)c2cc[nH+]cc21)c1ccccc1 ZINC000135909495 206127850 /nfs/dbraw/zinc/12/78/50/206127850.db2.gz VUGMRSNVZMRRII-AWEZNQCLSA-N 2 2 356.451 2.264 10 0 FEAELP CCOC(=O)C[NH+]1CCC2(CC1)c1ccccc1[C@@H]([N@H+]1CC=CCC1)[C@@H]2O ZINC000019225133 206334171 /nfs/dbraw/zinc/33/41/71/206334171.db2.gz WDEDZLJMFIAXGY-RTWAWAEBSA-N 2 2 370.493 2.261 10 0 FEAELP CCOC(=O)C[NH+]1CCC2(CC1)c1ccccc1[C@@H]([N@@H+]1CC=CCC1)[C@@H]2O ZINC000019225133 206334176 /nfs/dbraw/zinc/33/41/76/206334176.db2.gz WDEDZLJMFIAXGY-RTWAWAEBSA-N 2 2 370.493 2.261 10 0 FEAELP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2C[NH+](C)CCO2)cc1 ZINC000104787285 543143942 /nfs/dbraw/zinc/14/39/42/543143942.db2.gz MTGMADARVPHIBX-YLJYHZDGSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2C[NH+](C)CCO2)cc1 ZINC000104787285 543143944 /nfs/dbraw/zinc/14/39/44/543143944.db2.gz MTGMADARVPHIBX-YLJYHZDGSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000104787285 543143945 /nfs/dbraw/zinc/14/39/45/543143945.db2.gz MTGMADARVPHIBX-YLJYHZDGSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000104787285 543143947 /nfs/dbraw/zinc/14/39/47/543143947.db2.gz MTGMADARVPHIBX-YLJYHZDGSA-N 2 2 374.529 2.191 10 0 FEAELP C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000104793073 543144495 /nfs/dbraw/zinc/14/44/95/543144495.db2.gz BNTYGLGVOCVPKB-HXUWFJFHSA-N 2 2 374.529 2.192 10 0 FEAELP C[N@H+]1CCO[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000104793073 543144496 /nfs/dbraw/zinc/14/44/96/543144496.db2.gz BNTYGLGVOCVPKB-HXUWFJFHSA-N 2 2 374.529 2.192 10 0 FEAELP CCC(CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105104754 543159472 /nfs/dbraw/zinc/15/94/72/543159472.db2.gz LVZNQCHNEFADQK-RTBURBONSA-N 2 2 366.550 2.003 10 0 FEAELP CCC(CC)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000105104754 543159477 /nfs/dbraw/zinc/15/94/77/543159477.db2.gz LVZNQCHNEFADQK-RTBURBONSA-N 2 2 366.550 2.003 10 0 FEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000106123005 543203550 /nfs/dbraw/zinc/20/35/50/543203550.db2.gz UVSDPEDZUACGSS-OAQYLSRUSA-N 2 2 361.530 2.182 10 0 FEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCCOc3ccccc3)CC2)C1 ZINC000106123005 543203552 /nfs/dbraw/zinc/20/35/52/543203552.db2.gz UVSDPEDZUACGSS-OAQYLSRUSA-N 2 2 361.530 2.182 10 0 FEAELP CC(C)n1nnnc1C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127127 543204942 /nfs/dbraw/zinc/20/49/42/543204942.db2.gz ZSUNIRKQHFKEMM-LJQANCHMSA-N 2 2 372.517 2.131 10 0 FEAELP CC(C)n1nnnc1C[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106127127 543204946 /nfs/dbraw/zinc/20/49/46/543204946.db2.gz ZSUNIRKQHFKEMM-LJQANCHMSA-N 2 2 372.517 2.131 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NCCCNc2cccc[nH+]2)C[C@H]1CC ZINC000117033671 543622073 /nfs/dbraw/zinc/62/20/73/543622073.db2.gz DNNDWVVUPIXSDP-QGZVFWFLSA-N 2 2 363.506 2.026 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NCCCNc2cccc[nH+]2)C[C@H]1CC ZINC000117033671 543622075 /nfs/dbraw/zinc/62/20/75/543622075.db2.gz DNNDWVVUPIXSDP-QGZVFWFLSA-N 2 2 363.506 2.026 10 0 FEAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124311095 543813399 /nfs/dbraw/zinc/81/33/99/543813399.db2.gz OKOZJQVUYGJKRD-RTWAWAEBSA-N 2 2 367.493 2.307 10 0 FEAELP C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124311095 543813403 /nfs/dbraw/zinc/81/34/03/543813403.db2.gz OKOZJQVUYGJKRD-RTWAWAEBSA-N 2 2 367.493 2.307 10 0 FEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4ccccc4n3)CC2)C1 ZINC000124609861 543832400 /nfs/dbraw/zinc/83/24/00/543832400.db2.gz WMJDMPNVPAWAAR-OAQYLSRUSA-N 2 2 368.525 2.462 10 0 FEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc4ccccc4n3)CC2)C1 ZINC000124609861 543832404 /nfs/dbraw/zinc/83/24/04/543832404.db2.gz WMJDMPNVPAWAAR-OAQYLSRUSA-N 2 2 368.525 2.462 10 0 FEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000133019276 544252755 /nfs/dbraw/zinc/25/27/55/544252755.db2.gz CJLSOSCALKXPNK-RDJZCZTQSA-N 2 2 351.516 2.361 10 0 FEAELP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000133019276 544252756 /nfs/dbraw/zinc/25/27/56/544252756.db2.gz CJLSOSCALKXPNK-RDJZCZTQSA-N 2 2 351.516 2.361 10 0 FEAELP CN(C(=O)CC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000135051738 544332702 /nfs/dbraw/zinc/33/27/02/544332702.db2.gz HUBRVBGKRRQLGV-UHFFFAOYSA-N 2 2 369.513 2.332 10 0 FEAELP CN(C(=O)CC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)c1ccccc1 ZINC000135051738 544332703 /nfs/dbraw/zinc/33/27/03/544332703.db2.gz HUBRVBGKRRQLGV-UHFFFAOYSA-N 2 2 369.513 2.332 10 0 FEAELP COc1c(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c(C)nn1C ZINC000190470012 328209679 /nfs/dbraw/zinc/20/96/79/328209679.db2.gz NITLVXCKSQPOIW-HNNXBMFYSA-N 2 2 363.531 2.456 10 0 FEAELP COc1c(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)c(C)nn1C ZINC000190470012 328209680 /nfs/dbraw/zinc/20/96/80/328209680.db2.gz NITLVXCKSQPOIW-HNNXBMFYSA-N 2 2 363.531 2.456 10 0 FEAELP COc1c(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)c(C)nn1C ZINC000190470012 328209682 /nfs/dbraw/zinc/20/96/82/328209682.db2.gz NITLVXCKSQPOIW-HNNXBMFYSA-N 2 2 363.531 2.456 10 0 FEAELP COc1c(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)c(C)nn1C ZINC000190470012 328209683 /nfs/dbraw/zinc/20/96/83/328209683.db2.gz NITLVXCKSQPOIW-HNNXBMFYSA-N 2 2 363.531 2.456 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000048214759 324657927 /nfs/dbraw/zinc/65/79/27/324657927.db2.gz XGJOINJGGXDSAD-PKOBYXMFSA-N 2 2 362.518 2.089 10 0 FEAELP Clc1ccc(C2=NO[C@@H](C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000091673522 325389691 /nfs/dbraw/zinc/38/96/91/325389691.db2.gz ADUDCDIPQIRREZ-CRAIPNDOSA-N 2 2 363.889 2.487 10 0 FEAELP Clc1ccc(C2=NO[C@@H](C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000091673522 325389692 /nfs/dbraw/zinc/38/96/92/325389692.db2.gz ADUDCDIPQIRREZ-CRAIPNDOSA-N 2 2 363.889 2.487 10 0 FEAELP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106431991 325598157 /nfs/dbraw/zinc/59/81/57/325598157.db2.gz RMPJYRGCYHVEER-FQEVSTJZSA-N 2 2 370.497 2.109 10 0 FEAELP COc1c(C)c[nH+]c(CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)c1C ZINC000110031154 325682047 /nfs/dbraw/zinc/68/20/47/325682047.db2.gz ZTUCYGZDPONOBS-UHFFFAOYSA-N 2 2 357.502 2.375 10 0 FEAELP Cc1cc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)nc(C2CC2)[nH+]1 ZINC000116261603 326002308 /nfs/dbraw/zinc/00/23/08/326002308.db2.gz FQEAKDULJKRKBA-UHFFFAOYSA-N 2 2 352.486 2.446 10 0 FEAELP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000162032176 327015065 /nfs/dbraw/zinc/01/50/65/327015065.db2.gz JNPFGOVKQVDNJO-AWEZNQCLSA-N 2 2 357.506 2.135 10 0 FEAELP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173767545 327282725 /nfs/dbraw/zinc/28/27/25/327282725.db2.gz TYNBYCFVMWMOAU-PMACEKPBSA-N 2 2 374.529 2.186 10 0 FEAELP CCC(CC)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)[NH+]1CCCC1 ZINC000173795436 327284702 /nfs/dbraw/zinc/28/47/02/327284702.db2.gz WFFWWLIFNGLMLE-RBUKOAKNSA-N 2 2 366.550 2.003 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000175681211 327406578 /nfs/dbraw/zinc/40/65/78/327406578.db2.gz AVXZTUHILUQTMY-QGZVFWFLSA-N 2 2 352.442 2.256 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261627854 328806577 /nfs/dbraw/zinc/80/65/77/328806577.db2.gz BMDYIWKFJSRGDN-ARFHVFGLSA-N 2 2 351.516 2.097 10 0 FEAELP COc1cccc(C(=O)N(Cc2[nH+]ccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000262111862 525793419 /nfs/dbraw/zinc/79/34/19/525793419.db2.gz KOGWXUYOBXGXAR-QGZVFWFLSA-N 2 2 354.454 2.213 10 0 FEAELP CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000156385509 545624098 /nfs/dbraw/zinc/62/40/98/545624098.db2.gz PKCANPBDSHFPRE-PXNSSMCTSA-N 2 2 374.529 2.047 10 0 FEAELP CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@@H](C)C1 ZINC000156385509 545624101 /nfs/dbraw/zinc/62/41/01/545624101.db2.gz PKCANPBDSHFPRE-PXNSSMCTSA-N 2 2 374.529 2.047 10 0 FEAELP CC(C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@@H](C)C1 ZINC000178635363 546824402 /nfs/dbraw/zinc/82/44/02/546824402.db2.gz GELOIEIDKLAZPF-HOTGVXAUSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@@H](C)C1 ZINC000178635363 546824407 /nfs/dbraw/zinc/82/44/07/546824407.db2.gz GELOIEIDKLAZPF-HOTGVXAUSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[NH+](C)CCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000178635363 546824414 /nfs/dbraw/zinc/82/44/14/546824414.db2.gz GELOIEIDKLAZPF-HOTGVXAUSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[NH+](C)CCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000178635363 546824418 /nfs/dbraw/zinc/82/44/18/546824418.db2.gz GELOIEIDKLAZPF-HOTGVXAUSA-N 2 2 368.547 2.149 10 0 FEAELP CCC[C@H](C(=O)Nc1ccc(C[NH+]2CCN(C(C)=O)CC2)cc1)[NH+](C)C ZINC000181364804 547301397 /nfs/dbraw/zinc/30/13/97/547301397.db2.gz OCFFQYWTBFILBO-LJQANCHMSA-N 2 2 360.502 2.020 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000195266652 548607742 /nfs/dbraw/zinc/60/77/42/548607742.db2.gz HVHQIOMOZXFCDR-JKSUJKDBSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000195266652 548607747 /nfs/dbraw/zinc/60/77/47/548607747.db2.gz HVHQIOMOZXFCDR-JKSUJKDBSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000195266652 548607752 /nfs/dbraw/zinc/60/77/52/548607752.db2.gz HVHQIOMOZXFCDR-JKSUJKDBSA-N 2 2 352.548 2.366 10 0 FEAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCc2sccc2C1 ZINC000246328971 549107751 /nfs/dbraw/zinc/10/77/51/549107751.db2.gz AQZBYDBGMWBQHS-RDJZCZTQSA-N 2 2 362.543 2.374 10 0 FEAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCc2sccc2C1 ZINC000246328971 549107754 /nfs/dbraw/zinc/10/77/54/549107754.db2.gz AQZBYDBGMWBQHS-RDJZCZTQSA-N 2 2 362.543 2.374 10 0 FEAELP C[C@@H](CNC(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000246328971 549107758 /nfs/dbraw/zinc/10/77/58/549107758.db2.gz AQZBYDBGMWBQHS-RDJZCZTQSA-N 2 2 362.543 2.374 10 0 FEAELP C[C@@H](CNC(=O)N1CC[NH+]2CCCC[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000246328971 549107760 /nfs/dbraw/zinc/10/77/60/549107760.db2.gz AQZBYDBGMWBQHS-RDJZCZTQSA-N 2 2 362.543 2.374 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000246547888 549158250 /nfs/dbraw/zinc/15/82/50/549158250.db2.gz SVYIJEJFKDQVBO-ARFHVFGLSA-N 2 2 351.516 2.097 10 0 FEAELP CC1CC[NH+](CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000246620407 549176875 /nfs/dbraw/zinc/17/68/75/549176875.db2.gz VTZOGQPKDYDORI-DLBZAZTESA-N 2 2 365.543 2.358 10 0 FEAELP CC1CC[NH+](CC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@@H](C)C2)CC1 ZINC000246620407 549176877 /nfs/dbraw/zinc/17/68/77/549176877.db2.gz VTZOGQPKDYDORI-DLBZAZTESA-N 2 2 365.543 2.358 10 0 FEAELP c1cncc(O[C@@H]2CC[NH+](CCC[N@@H+]3CC[C@@H](Oc4cccnc4)C3)C2)c1 ZINC000246717444 549195203 /nfs/dbraw/zinc/19/52/03/549195203.db2.gz NZHCTEAXBKLESD-NHCUHLMSSA-N 2 2 368.481 2.473 10 0 FEAELP c1cncc(O[C@@H]2CC[NH+](CCC[N@H+]3CC[C@@H](Oc4cccnc4)C3)C2)c1 ZINC000246717444 549195206 /nfs/dbraw/zinc/19/52/06/549195206.db2.gz NZHCTEAXBKLESD-NHCUHLMSSA-N 2 2 368.481 2.473 10 0 FEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000248630044 549471503 /nfs/dbraw/zinc/47/15/03/549471503.db2.gz GQUVPZIEDYELDF-QZTJIDSGSA-N 2 2 363.502 2.342 10 0 FEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000248630044 549471506 /nfs/dbraw/zinc/47/15/06/549471506.db2.gz GQUVPZIEDYELDF-QZTJIDSGSA-N 2 2 363.502 2.342 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248660395 549478221 /nfs/dbraw/zinc/47/82/21/549478221.db2.gz WBJWVBLPTHMLSW-HZPDHXFCSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248660395 549478222 /nfs/dbraw/zinc/47/82/22/549478222.db2.gz WBJWVBLPTHMLSW-HZPDHXFCSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248660395 549478224 /nfs/dbraw/zinc/47/82/24/549478224.db2.gz WBJWVBLPTHMLSW-HZPDHXFCSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248660395 549478225 /nfs/dbraw/zinc/47/82/25/549478225.db2.gz WBJWVBLPTHMLSW-HZPDHXFCSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COCC(C)C)C1 ZINC000248661536 549479733 /nfs/dbraw/zinc/47/97/33/549479733.db2.gz XGBNAUKCWGPTRC-DLBZAZTESA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COCC(C)C)C1 ZINC000248661536 549479735 /nfs/dbraw/zinc/47/97/35/549479735.db2.gz XGBNAUKCWGPTRC-DLBZAZTESA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCC(C)C)C1 ZINC000248661536 549479738 /nfs/dbraw/zinc/47/97/38/549479738.db2.gz XGBNAUKCWGPTRC-DLBZAZTESA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCC(C)C)C1 ZINC000248661536 549479740 /nfs/dbraw/zinc/47/97/40/549479740.db2.gz XGBNAUKCWGPTRC-DLBZAZTESA-N 2 2 355.548 2.239 10 0 FEAELP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000262695561 549840241 /nfs/dbraw/zinc/84/02/41/549840241.db2.gz BDTWYVVEWCRNFU-PVAVHDDUSA-N 2 2 351.441 2.401 10 0 FEAELP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000262695561 549840243 /nfs/dbraw/zinc/84/02/43/549840243.db2.gz BDTWYVVEWCRNFU-PVAVHDDUSA-N 2 2 351.441 2.401 10 0 FEAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328644036 553801164 /nfs/dbraw/zinc/80/11/64/553801164.db2.gz RODULMOITJBHLO-OAHLLOKOSA-N 2 2 358.446 2.084 10 0 FEAELP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328644036 553801166 /nfs/dbraw/zinc/80/11/66/553801166.db2.gz RODULMOITJBHLO-OAHLLOKOSA-N 2 2 358.446 2.084 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000047741076 540326788 /nfs/dbraw/zinc/32/67/88/540326788.db2.gz YACWWQGZAXNZRE-HOTGVXAUSA-N 2 2 368.547 2.151 10 0 FEAELP Cc1ccc2nc(Nc3nc[nH+]c(NN4CC[NH+](C)CC4)c3N)sc2c1 ZINC000040756925 208269170 /nfs/dbraw/zinc/26/91/70/208269170.db2.gz LJRYIFMQTYCOLD-UHFFFAOYSA-N 2 2 370.486 2.295 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)c2ccc(OC)cc2)C1 ZINC000106215981 543219559 /nfs/dbraw/zinc/21/95/59/543219559.db2.gz PRGLWBXMVGSFGV-MRXNPFEDSA-N 2 2 370.453 2.048 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)c2ccc(OC)cc2)C1 ZINC000106215981 543219561 /nfs/dbraw/zinc/21/95/61/543219561.db2.gz PRGLWBXMVGSFGV-MRXNPFEDSA-N 2 2 370.453 2.048 10 0 FEAELP Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000106431990 543230664 /nfs/dbraw/zinc/23/06/64/543230664.db2.gz RMPJYRGCYHVEER-HXUWFJFHSA-N 2 2 370.497 2.109 10 0 FEAELP C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112719743 543459777 /nfs/dbraw/zinc/45/97/77/543459777.db2.gz HFCMWGRCJRBHBV-HXUWFJFHSA-N 2 2 374.529 2.192 10 0 FEAELP C[N@H+]1CCO[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112719743 543459780 /nfs/dbraw/zinc/45/97/80/543459780.db2.gz HFCMWGRCJRBHBV-HXUWFJFHSA-N 2 2 374.529 2.192 10 0 FEAELP CCC[C@H](C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1)[NH+](C)C ZINC000128462377 544053895 /nfs/dbraw/zinc/05/38/95/544053895.db2.gz POEUBNQRSZPQOB-LJQANCHMSA-N 2 2 363.502 2.078 10 0 FEAELP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000130840760 544167627 /nfs/dbraw/zinc/16/76/27/544167627.db2.gz WWIXNWAVJKDGPV-QGZVFWFLSA-N 2 2 353.470 2.216 10 0 FEAELP CCC[C@H](C(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1)[NH+](C)C ZINC000130972591 544172619 /nfs/dbraw/zinc/17/26/19/544172619.db2.gz DLWOWQAOSYYFLS-CVEARBPZSA-N 2 2 353.532 2.310 10 0 FEAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([S@@](C)=O)cc1 ZINC000151793832 544581547 /nfs/dbraw/zinc/58/15/47/544581547.db2.gz CYHLBFXAFKKYIF-DYAGGBNNSA-N 2 2 372.534 2.494 10 0 FEAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc([S@@](C)=O)cc1 ZINC000151793832 544581553 /nfs/dbraw/zinc/58/15/53/544581553.db2.gz CYHLBFXAFKKYIF-DYAGGBNNSA-N 2 2 372.534 2.494 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000178883644 327613788 /nfs/dbraw/zinc/61/37/88/327613788.db2.gz MXTQEBDNDIJDBK-HOCLYGCPSA-N 2 2 350.532 2.122 10 0 FEAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188420348 328085879 /nfs/dbraw/zinc/08/58/79/328085879.db2.gz OMEPNGPATQYPKD-KRWDZBQOSA-N 2 2 359.474 2.313 10 0 FEAELP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188420348 328085880 /nfs/dbraw/zinc/08/58/80/328085880.db2.gz OMEPNGPATQYPKD-KRWDZBQOSA-N 2 2 359.474 2.313 10 0 FEAELP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000190904832 328239420 /nfs/dbraw/zinc/23/94/20/328239420.db2.gz HBAMWACLAALHAI-VXESANQCSA-N 2 2 361.486 2.300 10 0 FEAELP CCOC(=O)C1CCC(O)(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000190904832 328239421 /nfs/dbraw/zinc/23/94/21/328239421.db2.gz HBAMWACLAALHAI-VXESANQCSA-N 2 2 361.486 2.300 10 0 FEAELP CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@@H+]1CCOC ZINC000117301773 326055694 /nfs/dbraw/zinc/05/56/94/326055694.db2.gz WUDKRBCGUHKRBL-LJQANCHMSA-N 2 2 374.529 2.176 10 0 FEAELP CC[C@@H]1CN(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)CC[N@H+]1CCOC ZINC000117301773 326055696 /nfs/dbraw/zinc/05/56/96/326055696.db2.gz WUDKRBCGUHKRBL-LJQANCHMSA-N 2 2 374.529 2.176 10 0 FEAELP CCN(C(C)=O)c1nc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000170941905 327108977 /nfs/dbraw/zinc/10/89/77/327108977.db2.gz PAPPQZFCRFPCGG-AWEZNQCLSA-N 2 2 368.547 2.041 10 0 FEAELP CCN(C(C)=O)c1nc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cs1 ZINC000170941905 327108978 /nfs/dbraw/zinc/10/89/78/327108978.db2.gz PAPPQZFCRFPCGG-AWEZNQCLSA-N 2 2 368.547 2.041 10 0 FEAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900450 327168659 /nfs/dbraw/zinc/16/86/59/327168659.db2.gz FALQEAUDROONAV-GOSISDBHSA-N 2 2 357.502 2.452 10 0 FEAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171900450 327168660 /nfs/dbraw/zinc/16/86/60/327168660.db2.gz FALQEAUDROONAV-GOSISDBHSA-N 2 2 357.502 2.452 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C[C@H]1CC ZINC000175472011 327394767 /nfs/dbraw/zinc/39/47/67/327394767.db2.gz JASPJPYYVHSSOX-QGZVFWFLSA-N 2 2 365.522 2.181 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NCc2[nH+]ccn2CC(C)C)C[C@H]1CC ZINC000175472011 327394768 /nfs/dbraw/zinc/39/47/68/327394768.db2.gz JASPJPYYVHSSOX-QGZVFWFLSA-N 2 2 365.522 2.181 10 0 FEAELP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(-c2[nH+]ccn2C)c1 ZINC000176973784 327488129 /nfs/dbraw/zinc/48/81/29/327488129.db2.gz CPBCWNRVXRMWCH-KRWDZBQOSA-N 2 2 371.485 2.118 10 0 FEAELP C[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000177834827 327547843 /nfs/dbraw/zinc/54/78/43/327547843.db2.gz SPNIDRCGCVLXBV-MAUKXSAKSA-N 2 2 369.469 2.272 10 0 FEAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2noc(-c3ccsc3)n2)CC1 ZINC000178358146 546780811 /nfs/dbraw/zinc/78/08/11/546780811.db2.gz GZKPBFHRLKSMKW-CYBMUJFWSA-N 2 2 350.488 2.323 10 0 FEAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2noc(-c3ccsc3)n2)CC1 ZINC000178358146 546780816 /nfs/dbraw/zinc/78/08/16/546780816.db2.gz GZKPBFHRLKSMKW-CYBMUJFWSA-N 2 2 350.488 2.323 10 0 FEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000194952787 548555433 /nfs/dbraw/zinc/55/54/33/548555433.db2.gz ACVMDQQBUNCQGV-MOPGFXCFSA-N 2 2 359.539 2.473 10 0 FEAELP O=C([C@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000194952787 548555437 /nfs/dbraw/zinc/55/54/37/548555437.db2.gz ACVMDQQBUNCQGV-MOPGFXCFSA-N 2 2 359.539 2.473 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000195335528 548626849 /nfs/dbraw/zinc/62/68/49/548626849.db2.gz BPAMMQJFDRNMID-HOTGVXAUSA-N 2 2 350.532 2.184 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000195335528 548626850 /nfs/dbraw/zinc/62/68/50/548626850.db2.gz BPAMMQJFDRNMID-HOTGVXAUSA-N 2 2 350.532 2.184 10 0 FEAELP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247032313 549269400 /nfs/dbraw/zinc/26/94/00/549269400.db2.gz MLNOIJAWHPJJRP-RBUKOAKNSA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccccc1COC[C@H](O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247032313 549269402 /nfs/dbraw/zinc/26/94/02/549269402.db2.gz MLNOIJAWHPJJRP-RBUKOAKNSA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000247119048 549286018 /nfs/dbraw/zinc/28/60/18/549286018.db2.gz RQYAMNLINKKXIB-RTBURBONSA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccc(COC[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000247119048 549286020 /nfs/dbraw/zinc/28/60/20/549286020.db2.gz RQYAMNLINKKXIB-RTBURBONSA-N 2 2 359.470 2.242 10 0 FEAELP C([NH+]1CCO[C@H]2CCCC[C@H]21)C1(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)COC1 ZINC000247132770 549289184 /nfs/dbraw/zinc/28/91/84/549289184.db2.gz ZJGGUTZTWWVYJQ-ZRNYENFQSA-N 2 2 364.530 2.290 10 0 FEAELP C([NH+]1CCO[C@H]2CCCC[C@H]21)C1(C[N@H+]2CCO[C@H]3CCCC[C@H]32)COC1 ZINC000247132770 549289186 /nfs/dbraw/zinc/28/91/86/549289186.db2.gz ZJGGUTZTWWVYJQ-ZRNYENFQSA-N 2 2 364.530 2.290 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000247128904 549289245 /nfs/dbraw/zinc/28/92/45/549289245.db2.gz OKNUTHRSXPGJIK-UYAOXDASSA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C[C@H]1C ZINC000247128904 549289247 /nfs/dbraw/zinc/28/92/47/549289247.db2.gz OKNUTHRSXPGJIK-UYAOXDASSA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1C ZINC000247128904 549289249 /nfs/dbraw/zinc/28/92/49/549289249.db2.gz OKNUTHRSXPGJIK-UYAOXDASSA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000247128904 549289251 /nfs/dbraw/zinc/28/92/51/549289251.db2.gz OKNUTHRSXPGJIK-UYAOXDASSA-N 2 2 359.514 2.220 10 0 FEAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000247283284 549311010 /nfs/dbraw/zinc/31/10/10/549311010.db2.gz DGYZUIJRLLTWLE-HOJAQTOUSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000247283284 549311015 /nfs/dbraw/zinc/31/10/15/549311015.db2.gz DGYZUIJRLLTWLE-HOJAQTOUSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000247283284 549311019 /nfs/dbraw/zinc/31/10/19/549311019.db2.gz DGYZUIJRLLTWLE-HOJAQTOUSA-N 2 2 374.529 2.012 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637791 549474334 /nfs/dbraw/zinc/47/43/34/549474334.db2.gz AKWNITMTWLMKNH-CVEARBPZSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637791 549474337 /nfs/dbraw/zinc/47/43/37/549474337.db2.gz AKWNITMTWLMKNH-CVEARBPZSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637791 549474341 /nfs/dbraw/zinc/47/43/41/549474341.db2.gz AKWNITMTWLMKNH-CVEARBPZSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000248637791 549474344 /nfs/dbraw/zinc/47/43/44/549474344.db2.gz AKWNITMTWLMKNH-CVEARBPZSA-N 2 2 350.532 2.215 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661233 549479625 /nfs/dbraw/zinc/47/96/25/549479625.db2.gz WXPGGJOSKYVMQU-FCHUYYIVSA-N 2 2 369.509 2.413 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661233 549479627 /nfs/dbraw/zinc/47/96/27/549479627.db2.gz WXPGGJOSKYVMQU-FCHUYYIVSA-N 2 2 369.509 2.413 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661233 549479629 /nfs/dbraw/zinc/47/96/29/549479629.db2.gz WXPGGJOSKYVMQU-FCHUYYIVSA-N 2 2 369.509 2.413 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H](O)COCc2ccccc2)C1 ZINC000248661233 549479632 /nfs/dbraw/zinc/47/96/32/549479632.db2.gz WXPGGJOSKYVMQU-FCHUYYIVSA-N 2 2 369.509 2.413 10 0 FEAELP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)c2)CCO1 ZINC000261965915 549775525 /nfs/dbraw/zinc/77/55/25/549775525.db2.gz PZMYJYBURGTGKM-BRKWEVRTSA-N 3 2 373.541 2.154 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)c2)CCO1 ZINC000261965915 549775529 /nfs/dbraw/zinc/77/55/29/549775529.db2.gz PZMYJYBURGTGKM-BRKWEVRTSA-N 3 2 373.541 2.154 10 0 FEAELP CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@@H+](Cc2c[nH+]ccc2N(C)C)C1 ZINC000886054763 688198411 /nfs/dbraw/zinc/19/84/11/688198411.db2.gz DBZASRDFYKHNHU-SFHVURJKSA-N 2 2 359.499 2.150 10 0 FEAELP CC(=O)N[C@@]1(c2nc(C)cs2)CC[N@H+](Cc2c[nH+]ccc2N(C)C)C1 ZINC000886054763 688198415 /nfs/dbraw/zinc/19/84/15/688198415.db2.gz DBZASRDFYKHNHU-SFHVURJKSA-N 2 2 359.499 2.150 10 0 FEAELP Cc1noc([C@H](C)N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000106133820 543206687 /nfs/dbraw/zinc/20/66/87/543206687.db2.gz LXZISZQTGXQJQY-HNNXBMFYSA-N 2 2 352.442 2.443 10 0 FEAELP CC[C@H](O)C[NH+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)CC1 ZINC000112636691 543455012 /nfs/dbraw/zinc/45/50/12/543455012.db2.gz JMRDCWQAVDFJKU-KRWDZBQOSA-N 2 2 355.438 2.403 10 0 FEAELP O=C(CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000114201645 543507930 /nfs/dbraw/zinc/50/79/30/543507930.db2.gz DNZWETPLXSCCOR-SFHVURJKSA-N 2 2 368.485 2.071 10 0 FEAELP O=C(CC[N@H+]1CCCC[C@H]1c1cn[nH]c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000114201645 543507933 /nfs/dbraw/zinc/50/79/33/543507933.db2.gz DNZWETPLXSCCOR-SFHVURJKSA-N 2 2 368.485 2.071 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000117424718 543631359 /nfs/dbraw/zinc/63/13/59/543631359.db2.gz OOUDABMFTKXTSA-QZTJIDSGSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000117424718 543631363 /nfs/dbraw/zinc/63/13/63/543631363.db2.gz OOUDABMFTKXTSA-QZTJIDSGSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000117424718 543631366 /nfs/dbraw/zinc/63/13/66/543631366.db2.gz OOUDABMFTKXTSA-QZTJIDSGSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@H]1C ZINC000117424718 543631369 /nfs/dbraw/zinc/63/13/69/543631369.db2.gz OOUDABMFTKXTSA-QZTJIDSGSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117424714 543631429 /nfs/dbraw/zinc/63/14/29/543631429.db2.gz OOUDABMFTKXTSA-ZWKOTPCHSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117424714 543631432 /nfs/dbraw/zinc/63/14/32/543631432.db2.gz OOUDABMFTKXTSA-ZWKOTPCHSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117424714 543631436 /nfs/dbraw/zinc/63/14/36/543631436.db2.gz OOUDABMFTKXTSA-ZWKOTPCHSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000117424714 543631440 /nfs/dbraw/zinc/63/14/40/543631440.db2.gz OOUDABMFTKXTSA-ZWKOTPCHSA-N 2 2 359.514 2.002 10 0 FEAELP CC[N@H+](CC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1)C1CC1 ZINC000153324630 544761726 /nfs/dbraw/zinc/76/17/26/544761726.db2.gz RWUNOUUTFSNTLU-INIZCTEOSA-N 2 2 351.516 2.030 10 0 FEAELP CC[N@@H+](CC(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1)C1CC1 ZINC000153324630 544761729 /nfs/dbraw/zinc/76/17/29/544761729.db2.gz RWUNOUUTFSNTLU-INIZCTEOSA-N 2 2 351.516 2.030 10 0 FEAELP CNC(=O)Cc1nc(C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)cs1 ZINC000189910248 328175492 /nfs/dbraw/zinc/17/54/92/328175492.db2.gz ZSTBBDCVMQOUKM-CYBMUJFWSA-N 2 2 355.467 2.468 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2nccn2-c2ccccc2)nc[nH+]1 ZINC000190971617 328242909 /nfs/dbraw/zinc/24/29/09/328242909.db2.gz PXYLEBUVDRKDSK-QGZVFWFLSA-N 2 2 363.469 2.463 10 0 FEAELP C[C@@H]([NH2+]Cc1nnnn1CC(F)(F)F)c1cccc(-n2cc[nH+]c2)c1 ZINC000191045774 328247423 /nfs/dbraw/zinc/24/74/23/328247423.db2.gz RCDAVHUZIMPRCV-LLVKDONJSA-N 2 2 351.336 2.272 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nccn2CC(F)(F)F)nc[nH+]1 ZINC000109070165 325657857 /nfs/dbraw/zinc/65/78/57/325657857.db2.gz NPKQVXVZLGOYFN-LBPRGKRZSA-N 2 2 369.395 2.036 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)C[C@H]1CC ZINC000117048483 326049283 /nfs/dbraw/zinc/04/92/83/326049283.db2.gz ZZDSLSQBUAQRBM-GOSISDBHSA-N 2 2 373.501 2.285 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)C[C@H]1CC ZINC000117048483 326049284 /nfs/dbraw/zinc/04/92/84/326049284.db2.gz ZZDSLSQBUAQRBM-GOSISDBHSA-N 2 2 373.501 2.285 10 0 FEAELP C[N@H+](Cc1c[nH]nc1-c1cccnc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121230538 326323078 /nfs/dbraw/zinc/32/30/78/326323078.db2.gz UNNBUGITLOBHTH-UHFFFAOYSA-N 2 2 365.485 2.265 10 0 FEAELP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121230538 326323080 /nfs/dbraw/zinc/32/30/80/326323080.db2.gz UNNBUGITLOBHTH-UHFFFAOYSA-N 2 2 365.485 2.265 10 0 FEAELP CC1CC[NH+](CC(=O)NC[C@@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000121993054 326379768 /nfs/dbraw/zinc/37/97/68/326379768.db2.gz VTZOGQPKDYDORI-SJORKVTESA-N 2 2 365.543 2.358 10 0 FEAELP CC1CC[NH+](CC(=O)NC[C@@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000121993054 326379769 /nfs/dbraw/zinc/37/97/69/326379769.db2.gz VTZOGQPKDYDORI-SJORKVTESA-N 2 2 365.543 2.358 10 0 FEAELP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc(OC)c1OC ZINC000151283193 326678735 /nfs/dbraw/zinc/67/87/35/326678735.db2.gz XDLUGOQYVXHHDY-ZBFHGGJFSA-N 2 2 352.475 2.210 10 0 FEAELP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000173509283 327262386 /nfs/dbraw/zinc/26/23/86/327262386.db2.gz KDKPHBKKNHTEEK-FQEVSTJZSA-N 2 2 371.529 2.211 10 0 FEAELP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000173509283 327262387 /nfs/dbraw/zinc/26/23/87/327262387.db2.gz KDKPHBKKNHTEEK-FQEVSTJZSA-N 2 2 371.529 2.211 10 0 FEAELP C[NH+](C)c1ccc(N2CCC(NC(=O)N3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000173509283 327262388 /nfs/dbraw/zinc/26/23/88/327262388.db2.gz KDKPHBKKNHTEEK-FQEVSTJZSA-N 2 2 371.529 2.211 10 0 FEAELP C[NH+](C)c1ccc(N2CCC(NC(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000173509283 327262389 /nfs/dbraw/zinc/26/23/89/327262389.db2.gz KDKPHBKKNHTEEK-FQEVSTJZSA-N 2 2 371.529 2.211 10 0 FEAELP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174507458 327331580 /nfs/dbraw/zinc/33/15/80/327331580.db2.gz LFBCTGHHRLEXQS-MRXNPFEDSA-N 2 2 371.485 2.343 10 0 FEAELP C[C@@H]1CCCN(c2cc(N3CC[NH+](CC4CCOCC4)CC3)nc[nH+]2)C1 ZINC000172411193 546251745 /nfs/dbraw/zinc/25/17/45/546251745.db2.gz YCMKELPJUFZGJQ-QGZVFWFLSA-N 2 2 359.518 2.262 10 0 FEAELP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)[NH+]2CCOCC2)s1 ZINC000178635846 546824063 /nfs/dbraw/zinc/82/40/63/546824063.db2.gz ITZXLHFQKPRUGG-MRXNPFEDSA-N 2 2 368.547 2.069 10 0 FEAELP Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C(C)C)[NH+]2CCOCC2)s1 ZINC000178635846 546824069 /nfs/dbraw/zinc/82/40/69/546824069.db2.gz ITZXLHFQKPRUGG-MRXNPFEDSA-N 2 2 368.547 2.069 10 0 FEAELP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc(OC)c1 ZINC000178749386 546842535 /nfs/dbraw/zinc/84/25/35/546842535.db2.gz PKYQLQQAWYFTSI-MRXNPFEDSA-N 2 2 358.442 2.312 10 0 FEAELP COc1cc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc(OC)c1 ZINC000178749386 546842540 /nfs/dbraw/zinc/84/25/40/546842540.db2.gz PKYQLQQAWYFTSI-MRXNPFEDSA-N 2 2 358.442 2.312 10 0 FEAELP COc1cc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)ccc1C ZINC000193901691 548403635 /nfs/dbraw/zinc/40/36/35/548403635.db2.gz ROCUPEMDQLSJJF-HXUWFJFHSA-N 2 2 361.530 2.230 10 0 FEAELP COc1cc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)ccc1C ZINC000193901691 548403639 /nfs/dbraw/zinc/40/36/39/548403639.db2.gz ROCUPEMDQLSJJF-HXUWFJFHSA-N 2 2 361.530 2.230 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251757 548603498 /nfs/dbraw/zinc/60/34/98/548603498.db2.gz XONNSVMMQXJCAZ-YJBOKZPZSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251757 548603502 /nfs/dbraw/zinc/60/35/02/548603502.db2.gz XONNSVMMQXJCAZ-YJBOKZPZSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251757 548603505 /nfs/dbraw/zinc/60/35/05/548603505.db2.gz XONNSVMMQXJCAZ-YJBOKZPZSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251757 548603511 /nfs/dbraw/zinc/60/35/11/548603511.db2.gz XONNSVMMQXJCAZ-YJBOKZPZSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195300855 548615907 /nfs/dbraw/zinc/61/59/07/548615907.db2.gz FJNFRHZSHGMOKC-FQEVSTJZSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccccc1CNC(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195300855 548615911 /nfs/dbraw/zinc/61/59/11/548615911.db2.gz FJNFRHZSHGMOKC-FQEVSTJZSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300855 548615914 /nfs/dbraw/zinc/61/59/14/548615914.db2.gz FJNFRHZSHGMOKC-FQEVSTJZSA-N 2 2 366.509 2.460 10 0 FEAELP Cc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195300855 548615918 /nfs/dbraw/zinc/61/59/18/548615918.db2.gz FJNFRHZSHGMOKC-FQEVSTJZSA-N 2 2 366.509 2.460 10 0 FEAELP C[C@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000246685136 549189191 /nfs/dbraw/zinc/18/91/91/549189191.db2.gz JAFPJPLOZYXUTP-HOTGVXAUSA-N 2 2 355.438 2.401 10 0 FEAELP C[C@H](O)C[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@@H]1C ZINC000246685136 549189195 /nfs/dbraw/zinc/18/91/95/549189195.db2.gz JAFPJPLOZYXUTP-HOTGVXAUSA-N 2 2 355.438 2.401 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000247132124 549289313 /nfs/dbraw/zinc/28/93/13/549289313.db2.gz OOUDABMFTKXTSA-ROUUACIJSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000247132124 549289315 /nfs/dbraw/zinc/28/93/15/549289315.db2.gz OOUDABMFTKXTSA-ROUUACIJSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000247132124 549289320 /nfs/dbraw/zinc/28/93/20/549289320.db2.gz OOUDABMFTKXTSA-ROUUACIJSA-N 2 2 359.514 2.002 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)C[C@@H]1C ZINC000247132124 549289323 /nfs/dbraw/zinc/28/93/23/549289323.db2.gz OOUDABMFTKXTSA-ROUUACIJSA-N 2 2 359.514 2.002 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CCC[C@@H](Cn4cncn4)C3)c2cc1C ZINC000247599211 549364546 /nfs/dbraw/zinc/36/45/46/549364546.db2.gz KRYXDWUOMMGQRO-MSOLQXFVSA-N 2 2 368.485 2.018 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CCC[C@@H](Cn4cncn4)C3)c2cc1C ZINC000247599211 549364551 /nfs/dbraw/zinc/36/45/51/549364551.db2.gz KRYXDWUOMMGQRO-MSOLQXFVSA-N 2 2 368.485 2.018 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000249286684 549576997 /nfs/dbraw/zinc/57/69/97/549576997.db2.gz IORVKENOZNOWKK-OALUTQOASA-N 2 2 355.486 2.356 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccccc1 ZINC000249286684 549576999 /nfs/dbraw/zinc/57/69/99/549576999.db2.gz IORVKENOZNOWKK-OALUTQOASA-N 2 2 355.486 2.356 10 0 FEAELP CCc1csc([C@@H]2CCC[N@@H+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)C2)n1 ZINC000249880284 549633961 /nfs/dbraw/zinc/63/39/61/549633961.db2.gz NHSXKSWBFHJDEQ-HZPDHXFCSA-N 2 2 364.559 2.438 10 0 FEAELP CCc1csc([C@@H]2CCC[N@H+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)C2)n1 ZINC000249880284 549633963 /nfs/dbraw/zinc/63/39/63/549633963.db2.gz NHSXKSWBFHJDEQ-HZPDHXFCSA-N 2 2 364.559 2.438 10 0 FEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC[N@@H+]2C2CC2)c1 ZINC000263201472 549885088 /nfs/dbraw/zinc/88/50/88/549885088.db2.gz JEBNPKDIFJNLHH-GVDBMIGSSA-N 2 2 365.424 2.086 10 0 FEAELP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC[N@H+]2C2CC2)c1 ZINC000263201472 549885090 /nfs/dbraw/zinc/88/50/90/549885090.db2.gz JEBNPKDIFJNLHH-GVDBMIGSSA-N 2 2 365.424 2.086 10 0 FEAELP C[NH+](C)C[C@H](NC(=O)NCc1cccnc1-n1cc[nH+]c1)c1ccccc1 ZINC000048216049 540351856 /nfs/dbraw/zinc/35/18/56/540351856.db2.gz MELBUAOBYRMREX-SFHVURJKSA-N 2 2 364.453 2.369 10 0 FEAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000051117281 540422711 /nfs/dbraw/zinc/42/27/11/540422711.db2.gz AZQPOEOLBGSBGG-ROUUACIJSA-N 2 2 359.514 2.185 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106214425 543218807 /nfs/dbraw/zinc/21/88/07/543218807.db2.gz NLUZVUDGWASMDQ-KRWDZBQOSA-N 2 2 369.469 2.210 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000106214425 543218809 /nfs/dbraw/zinc/21/88/09/543218809.db2.gz NLUZVUDGWASMDQ-KRWDZBQOSA-N 2 2 369.469 2.210 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000109663371 543333434 /nfs/dbraw/zinc/33/34/34/543333434.db2.gz XYDXGGTYFCYSBM-FQEVSTJZSA-N 2 2 369.513 2.240 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)cn1 ZINC000109663371 543333437 /nfs/dbraw/zinc/33/34/37/543333437.db2.gz XYDXGGTYFCYSBM-FQEVSTJZSA-N 2 2 369.513 2.240 10 0 FEAELP C[C@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111563173 543406669 /nfs/dbraw/zinc/40/66/69/543406669.db2.gz NUQZWLDFQZMSBT-YLJYHZDGSA-N 2 2 374.504 2.033 10 0 FEAELP C[C@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111563173 543406672 /nfs/dbraw/zinc/40/66/72/543406672.db2.gz NUQZWLDFQZMSBT-YLJYHZDGSA-N 2 2 374.504 2.033 10 0 FEAELP CCC[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000128394156 544050050 /nfs/dbraw/zinc/05/00/50/544050050.db2.gz MRHDISGAWUQNCR-VQTJNVASSA-N 2 2 361.530 2.119 10 0 FEAELP CCC[C@H](C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1)[NH+](C)C ZINC000130988292 544173159 /nfs/dbraw/zinc/17/31/59/544173159.db2.gz DUEXVVGADBOZCQ-HZPDHXFCSA-N 2 2 353.532 2.276 10 0 FEAELP CCC[C@H](C(=O)NC[C@@H](c1ccc(C)s1)[NH+]1CCOCC1)[NH+](C)C ZINC000130987869 544173261 /nfs/dbraw/zinc/17/32/61/544173261.db2.gz DUEXVVGADBOZCQ-CVEARBPZSA-N 2 2 353.532 2.276 10 0 FEAELP C[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)[NH+]1CCOCC1 ZINC000188356122 328082346 /nfs/dbraw/zinc/08/23/46/328082346.db2.gz NXGMFAOCGYTDQN-KRWDZBQOSA-N 2 2 354.539 2.051 10 0 FEAELP C[N@H+](Cc1cc(F)cc2c1OCOC2)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942333 327108829 /nfs/dbraw/zinc/10/88/29/327108829.db2.gz ORGDXIBQVMGVDO-UHFFFAOYSA-N 2 2 374.460 2.485 10 0 FEAELP C[N@@H+](Cc1cc(F)cc2c1OCOC2)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942333 327108831 /nfs/dbraw/zinc/10/88/31/327108831.db2.gz ORGDXIBQVMGVDO-UHFFFAOYSA-N 2 2 374.460 2.485 10 0 FEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc2C1 ZINC000171648029 327151588 /nfs/dbraw/zinc/15/15/88/327151588.db2.gz PFOXOWMIKRDPMR-KRWDZBQOSA-N 2 2 350.466 2.400 10 0 FEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)N1CCc2ccccc2C1 ZINC000171648029 327151590 /nfs/dbraw/zinc/15/15/90/327151590.db2.gz PFOXOWMIKRDPMR-KRWDZBQOSA-N 2 2 350.466 2.400 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000176438632 327456096 /nfs/dbraw/zinc/45/60/96/327456096.db2.gz DDNDMPFQIIQPGW-INIZCTEOSA-N 2 2 372.513 2.150 10 0 FEAELP CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c[nH+]1 ZINC000177388455 327518818 /nfs/dbraw/zinc/51/88/18/327518818.db2.gz AMNUYPICHVGGQJ-QGZVFWFLSA-N 2 2 356.474 2.499 10 0 FEAELP Cc1noc(C)c1CN1CC2(CC1=O)CC[NH+](CCCn1cc[nH+]c1)CC2 ZINC000091411162 526502858 /nfs/dbraw/zinc/50/28/58/526502858.db2.gz JSPLJKCAYIVFPK-UHFFFAOYSA-N 2 2 371.485 2.393 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cn(C)nc2C(C)(C)C)nc[nH+]1 ZINC000179424120 546950929 /nfs/dbraw/zinc/95/09/29/546950929.db2.gz ATFJOHNIKVOOQA-HNNXBMFYSA-N 2 2 357.506 2.308 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1OCC(=O)N(C)C ZINC000180128526 547056478 /nfs/dbraw/zinc/05/64/78/547056478.db2.gz SGVGGHKYNMKYSZ-SFHVURJKSA-N 2 2 356.470 2.323 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1OCC(=O)N(C)C ZINC000180128526 547056483 /nfs/dbraw/zinc/05/64/83/547056483.db2.gz SGVGGHKYNMKYSZ-SFHVURJKSA-N 2 2 356.470 2.323 10 0 FEAELP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000181868767 547394894 /nfs/dbraw/zinc/39/48/94/547394894.db2.gz PQDGZIJYTOMBHC-APWZRJJASA-N 2 2 371.485 2.031 10 0 FEAELP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000261992572 549777620 /nfs/dbraw/zinc/77/76/20/549777620.db2.gz SXIFOMMUWZALCP-YSFYHYPLSA-N 3 2 357.542 2.298 10 0 FEAELP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000261992572 549777623 /nfs/dbraw/zinc/77/76/23/549777623.db2.gz SXIFOMMUWZALCP-YSFYHYPLSA-N 3 2 357.542 2.298 10 0 FEAELP CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000066485432 541325554 /nfs/dbraw/zinc/32/55/54/541325554.db2.gz ODJCDTNJIKETGH-GOSISDBHSA-N 2 2 369.469 2.126 10 0 FEAELP CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)C1 ZINC000066485432 541325557 /nfs/dbraw/zinc/32/55/57/541325557.db2.gz ODJCDTNJIKETGH-GOSISDBHSA-N 2 2 369.469 2.126 10 0 FEAELP C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000074850630 542129154 /nfs/dbraw/zinc/12/91/54/542129154.db2.gz MXLYQECHYMEOFC-UYAOXDASSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCOCC1 ZINC000074850630 542129158 /nfs/dbraw/zinc/12/91/58/542129158.db2.gz MXLYQECHYMEOFC-UYAOXDASSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000098144182 543023808 /nfs/dbraw/zinc/02/38/08/543023808.db2.gz AHTHLPQUAKCPMP-KXBFYZLASA-N 2 2 354.450 2.485 10 0 FEAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)OCO2 ZINC000098144182 543023811 /nfs/dbraw/zinc/02/38/11/543023811.db2.gz AHTHLPQUAKCPMP-KXBFYZLASA-N 2 2 354.450 2.485 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CCC[C@H](Cn4cncn4)C3)c2cc1C ZINC000106171876 543212016 /nfs/dbraw/zinc/21/20/16/543212016.db2.gz KRYXDWUOMMGQRO-ZWKOTPCHSA-N 2 2 368.485 2.018 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CCC[C@H](Cn4cncn4)C3)c2cc1C ZINC000106171876 543212019 /nfs/dbraw/zinc/21/20/19/543212019.db2.gz KRYXDWUOMMGQRO-ZWKOTPCHSA-N 2 2 368.485 2.018 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000106215530 543219121 /nfs/dbraw/zinc/21/91/21/543219121.db2.gz DHRDWRZCIJGHDS-INIZCTEOSA-N 2 2 355.442 2.431 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000106215530 543219124 /nfs/dbraw/zinc/21/91/24/543219124.db2.gz DHRDWRZCIJGHDS-INIZCTEOSA-N 2 2 355.442 2.431 10 0 FEAELP C[N@H+]([C@@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000109379023 543322946 /nfs/dbraw/zinc/32/29/46/543322946.db2.gz CLVVOAFJCCSUPE-HXUWFJFHSA-N 2 2 367.497 2.085 10 0 FEAELP C[N@@H+]([C@@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000109379023 543322949 /nfs/dbraw/zinc/32/29/49/543322949.db2.gz CLVVOAFJCCSUPE-HXUWFJFHSA-N 2 2 367.497 2.085 10 0 FEAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000113603769 543492823 /nfs/dbraw/zinc/49/28/23/543492823.db2.gz YOCXLLTYCBGGBZ-GOEBONIOSA-N 2 2 357.433 2.390 10 0 FEAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000113603769 543492826 /nfs/dbraw/zinc/49/28/26/543492826.db2.gz YOCXLLTYCBGGBZ-GOEBONIOSA-N 2 2 357.433 2.390 10 0 FEAELP C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2C[N@H+](C)CCO2)CCCC1)c1ccccc1 ZINC000113616764 543493423 /nfs/dbraw/zinc/49/34/23/543493423.db2.gz RZMGUXQCULWQNW-MJGOQNOKSA-N 2 2 374.529 2.280 10 0 FEAELP C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)CCCC1)c1ccccc1 ZINC000113616764 543493425 /nfs/dbraw/zinc/49/34/25/543493425.db2.gz RZMGUXQCULWQNW-MJGOQNOKSA-N 2 2 374.529 2.280 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000152184012 544622798 /nfs/dbraw/zinc/62/27/98/544622798.db2.gz ZOFSELBRGPKQLV-MRXNPFEDSA-N 2 2 356.474 2.453 10 0 FEAELP COc1cccc(OCC[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000152666637 544681423 /nfs/dbraw/zinc/68/14/23/544681423.db2.gz OHVAEFGXOGQRIW-UHFFFAOYSA-N 2 2 358.486 2.367 10 0 FEAELP COc1cccc(OCC[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000152666637 544681431 /nfs/dbraw/zinc/68/14/31/544681431.db2.gz OHVAEFGXOGQRIW-UHFFFAOYSA-N 2 2 358.486 2.367 10 0 FEAELP CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003712 328293132 /nfs/dbraw/zinc/29/31/32/328293132.db2.gz XEWFMKJWGJIIIF-KRWDZBQOSA-N 2 2 350.507 2.400 10 0 FEAELP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003712 328293133 /nfs/dbraw/zinc/29/31/33/328293133.db2.gz XEWFMKJWGJIIIF-KRWDZBQOSA-N 2 2 350.507 2.400 10 0 FEAELP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544385 325135723 /nfs/dbraw/zinc/13/57/23/325135723.db2.gz JKXCPDCTHKJHKT-VQIMIIECSA-N 2 2 363.477 2.017 10 0 FEAELP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544385 325135725 /nfs/dbraw/zinc/13/57/25/325135725.db2.gz JKXCPDCTHKJHKT-VQIMIIECSA-N 2 2 363.477 2.017 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(OCCOC)c2)nc[nH+]1 ZINC000109070292 325657691 /nfs/dbraw/zinc/65/76/91/325657691.db2.gz FYJPGXOCRNYMLV-KRWDZBQOSA-N 2 2 371.485 2.302 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@@H]1CC ZINC000117029150 326048660 /nfs/dbraw/zinc/04/86/60/326048660.db2.gz PFGKKTSHPRXAFW-SFHVURJKSA-N 2 2 373.501 2.019 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@@H]1CC ZINC000117029150 326048661 /nfs/dbraw/zinc/04/86/61/326048661.db2.gz PFGKKTSHPRXAFW-SFHVURJKSA-N 2 2 373.501 2.019 10 0 FEAELP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000130830012 326564098 /nfs/dbraw/zinc/56/40/98/326564098.db2.gz AFTRVLCWMCSERJ-KRWDZBQOSA-N 2 2 353.470 2.216 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(N3CCCC3)nc2)nc[nH+]1 ZINC000132214844 326588941 /nfs/dbraw/zinc/58/89/41/326588941.db2.gz MJCVUSWDHRKXKR-KRWDZBQOSA-N 2 2 367.501 2.272 10 0 FEAELP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000136966238 326656756 /nfs/dbraw/zinc/65/67/56/326656756.db2.gz MYBBHFBRZNRQLZ-INIZCTEOSA-N 2 2 370.501 2.160 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000168168482 327086374 /nfs/dbraw/zinc/08/63/74/327086374.db2.gz SVYIJEJFKDQVBO-OWCLPIDISA-N 2 2 351.516 2.097 10 0 FEAELP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641351 327150775 /nfs/dbraw/zinc/15/07/75/327150775.db2.gz UHZSHAYGQKTSER-LJQANCHMSA-N 2 2 368.481 2.278 10 0 FEAELP COCc1cccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641351 327150776 /nfs/dbraw/zinc/15/07/76/327150776.db2.gz UHZSHAYGQKTSER-LJQANCHMSA-N 2 2 368.481 2.278 10 0 FEAELP Cc1cccc(OCCNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645628 327151185 /nfs/dbraw/zinc/15/11/85/327151185.db2.gz BKLCIHRNYWIZIF-SFHVURJKSA-N 2 2 368.481 2.319 10 0 FEAELP Cc1cccc(OCCNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645628 327151186 /nfs/dbraw/zinc/15/11/86/327151186.db2.gz BKLCIHRNYWIZIF-SFHVURJKSA-N 2 2 368.481 2.319 10 0 FEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCOc1ccccc1 ZINC000171645639 327151286 /nfs/dbraw/zinc/15/12/86/327151286.db2.gz HSQDUYSFBVYDPC-KRWDZBQOSA-N 2 2 354.454 2.011 10 0 FEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCCOc1ccccc1 ZINC000171645639 327151287 /nfs/dbraw/zinc/15/12/87/327151287.db2.gz HSQDUYSFBVYDPC-KRWDZBQOSA-N 2 2 354.454 2.011 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000172159567 327184714 /nfs/dbraw/zinc/18/47/14/327184714.db2.gz VTVYCDVCGPPYEP-CJNGLKHVSA-N 2 2 352.429 2.057 10 0 FEAELP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000175500389 327396374 /nfs/dbraw/zinc/39/63/74/327396374.db2.gz HYUWONNSEKXOTJ-ZDUSSCGKSA-N 2 2 354.445 2.351 10 0 FEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000176314192 546430658 /nfs/dbraw/zinc/43/06/58/546430658.db2.gz IKGSOIOPPMFWJF-SFHVURJKSA-N 2 2 360.502 2.467 10 0 FEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000176314192 546430663 /nfs/dbraw/zinc/43/06/63/546430663.db2.gz IKGSOIOPPMFWJF-SFHVURJKSA-N 2 2 360.502 2.467 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000178883609 546867437 /nfs/dbraw/zinc/86/74/37/546867437.db2.gz MXTQEBDNDIJDBK-GDBMZVCRSA-N 2 2 350.532 2.122 10 0 FEAELP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCCC[C@H]2c2nccs2)CC1 ZINC000179304607 546928905 /nfs/dbraw/zinc/92/89/05/546928905.db2.gz LQSBBMWSPPTZHT-INIZCTEOSA-N 2 2 365.547 2.406 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000182077309 547432885 /nfs/dbraw/zinc/43/28/85/547432885.db2.gz AAJOEPJQBOOWOV-IAGOWNOFSA-N 2 2 373.501 2.317 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000182077309 547432886 /nfs/dbraw/zinc/43/28/86/547432886.db2.gz AAJOEPJQBOOWOV-IAGOWNOFSA-N 2 2 373.501 2.317 10 0 FEAELP CC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000182141193 547443542 /nfs/dbraw/zinc/44/35/42/547443542.db2.gz OYOCVOXGYVCESP-HXUWFJFHSA-N 2 2 371.525 2.222 10 0 FEAELP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2C[NH+](C)CCO2)c1 ZINC000194844662 548540424 /nfs/dbraw/zinc/54/04/24/548540424.db2.gz HIWATZMCJBXYGT-OAQYLSRUSA-N 2 2 367.493 2.379 10 0 FEAELP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2C[NH+](C)CCO2)c1 ZINC000194844662 548540427 /nfs/dbraw/zinc/54/04/27/548540427.db2.gz HIWATZMCJBXYGT-OAQYLSRUSA-N 2 2 367.493 2.379 10 0 FEAELP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c1 ZINC000194844662 548540430 /nfs/dbraw/zinc/54/04/30/548540430.db2.gz HIWATZMCJBXYGT-OAQYLSRUSA-N 2 2 367.493 2.379 10 0 FEAELP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000194844662 548540433 /nfs/dbraw/zinc/54/04/33/548540433.db2.gz HIWATZMCJBXYGT-OAQYLSRUSA-N 2 2 367.493 2.379 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000245660543 548969325 /nfs/dbraw/zinc/96/93/25/548969325.db2.gz DBYKZWDKAQSTTG-MSOLQXFVSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000245660543 548969329 /nfs/dbraw/zinc/96/93/29/548969329.db2.gz DBYKZWDKAQSTTG-MSOLQXFVSA-N 2 2 357.502 2.450 10 0 FEAELP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245680786 548974794 /nfs/dbraw/zinc/97/47/94/548974794.db2.gz HJPYKAZCDKNTCX-NXWXRZEISA-N 2 2 351.535 2.350 10 0 FEAELP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245680786 548974796 /nfs/dbraw/zinc/97/47/96/548974796.db2.gz HJPYKAZCDKNTCX-NXWXRZEISA-N 2 2 351.535 2.350 10 0 FEAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245765960 548992242 /nfs/dbraw/zinc/99/22/42/548992242.db2.gz JJGGPZXPBOCRHI-WBAXXEDZSA-N 2 2 364.440 2.200 10 0 FEAELP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245765960 548992246 /nfs/dbraw/zinc/99/22/46/548992246.db2.gz JJGGPZXPBOCRHI-WBAXXEDZSA-N 2 2 364.440 2.200 10 0 FEAELP C[NH+]1CC[C@H](NC(=O)N2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245765960 548992247 /nfs/dbraw/zinc/99/22/47/548992247.db2.gz JJGGPZXPBOCRHI-WBAXXEDZSA-N 2 2 364.440 2.200 10 0 FEAELP C[NH+]1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245765960 548992251 /nfs/dbraw/zinc/99/22/51/548992251.db2.gz JJGGPZXPBOCRHI-WBAXXEDZSA-N 2 2 364.440 2.200 10 0 FEAELP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246369687 549116640 /nfs/dbraw/zinc/11/66/40/549116640.db2.gz GHJSEZBYDYXPCF-XLIONFOSSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2C[NH+](C)CCO2)C1 ZINC000246369687 549116645 /nfs/dbraw/zinc/11/66/45/549116645.db2.gz GHJSEZBYDYXPCF-XLIONFOSSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2C[N@H+](C)CCO2)C1 ZINC000246369687 549116648 /nfs/dbraw/zinc/11/66/48/549116648.db2.gz GHJSEZBYDYXPCF-XLIONFOSSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2C[N@@H+](C)CCO2)C1 ZINC000246369687 549116652 /nfs/dbraw/zinc/11/66/52/549116652.db2.gz GHJSEZBYDYXPCF-XLIONFOSSA-N 2 2 374.529 2.048 10 0 FEAELP CCC(CC)[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246419319 549129955 /nfs/dbraw/zinc/12/99/55/549129955.db2.gz LVZNQCHNEFADQK-RBUKOAKNSA-N 2 2 366.550 2.003 10 0 FEAELP CCC(CC)[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@H]2C1)[NH+]1CCOCC1 ZINC000246419319 549129956 /nfs/dbraw/zinc/12/99/56/549129956.db2.gz LVZNQCHNEFADQK-RBUKOAKNSA-N 2 2 366.550 2.003 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661780 549479685 /nfs/dbraw/zinc/47/96/85/549479685.db2.gz XONNSVMMQXJCAZ-CRAIPNDOSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661780 549479687 /nfs/dbraw/zinc/47/96/87/549479687.db2.gz XONNSVMMQXJCAZ-CRAIPNDOSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661780 549479689 /nfs/dbraw/zinc/47/96/89/549479689.db2.gz XONNSVMMQXJCAZ-CRAIPNDOSA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1 ZINC000248661780 549479691 /nfs/dbraw/zinc/47/96/91/549479691.db2.gz XONNSVMMQXJCAZ-CRAIPNDOSA-N 2 2 358.511 2.432 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000249807408 549630287 /nfs/dbraw/zinc/63/02/87/549630287.db2.gz BPAMMQJFDRNMID-HZPDHXFCSA-N 2 2 350.532 2.184 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](c3nc(C)cs3)C2)CC1 ZINC000249807408 549630289 /nfs/dbraw/zinc/63/02/89/549630289.db2.gz BPAMMQJFDRNMID-HZPDHXFCSA-N 2 2 350.532 2.184 10 0 FEAELP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000261992570 549778172 /nfs/dbraw/zinc/77/81/72/549778172.db2.gz SXIFOMMUWZALCP-GXRSIYKFSA-N 3 2 357.542 2.298 10 0 FEAELP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000261992570 549778174 /nfs/dbraw/zinc/77/81/74/549778174.db2.gz SXIFOMMUWZALCP-GXRSIYKFSA-N 3 2 357.542 2.298 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000051787090 540444610 /nfs/dbraw/zinc/44/46/10/540444610.db2.gz BZRMYNXPYFDDCR-INIZCTEOSA-N 2 2 368.437 2.413 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000051787090 540444613 /nfs/dbraw/zinc/44/46/13/540444613.db2.gz BZRMYNXPYFDDCR-INIZCTEOSA-N 2 2 368.437 2.413 10 0 FEAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000247374962 549326032 /nfs/dbraw/zinc/32/60/32/549326032.db2.gz PKCANPBDSHFPRE-FXAWDEMLSA-N 2 2 374.529 2.047 10 0 FEAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000247374962 549326034 /nfs/dbraw/zinc/32/60/34/549326034.db2.gz PKCANPBDSHFPRE-FXAWDEMLSA-N 2 2 374.529 2.047 10 0 FEAELP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104783479 543143989 /nfs/dbraw/zinc/14/39/89/543143989.db2.gz GHJSEZBYDYXPCF-YLJYHZDGSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH+](C)CCO2)C1 ZINC000104783479 543143991 /nfs/dbraw/zinc/14/39/91/543143991.db2.gz GHJSEZBYDYXPCF-YLJYHZDGSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)C1 ZINC000104783479 543143993 /nfs/dbraw/zinc/14/39/93/543143993.db2.gz GHJSEZBYDYXPCF-YLJYHZDGSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000104783479 543143994 /nfs/dbraw/zinc/14/39/94/543143994.db2.gz GHJSEZBYDYXPCF-YLJYHZDGSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC[C@@H]2C[NH+](C)CCO2)cc1 ZINC000104787290 543144041 /nfs/dbraw/zinc/14/40/41/543144041.db2.gz MTGMADARVPHIBX-FXAWDEMLSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2C[NH+](C)CCO2)cc1 ZINC000104787290 543144043 /nfs/dbraw/zinc/14/40/43/543144043.db2.gz MTGMADARVPHIBX-FXAWDEMLSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)cc1 ZINC000104787290 543144045 /nfs/dbraw/zinc/14/40/45/543144045.db2.gz MTGMADARVPHIBX-FXAWDEMLSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)cc1 ZINC000104787290 543144048 /nfs/dbraw/zinc/14/40/48/543144048.db2.gz MTGMADARVPHIBX-FXAWDEMLSA-N 2 2 374.529 2.191 10 0 FEAELP C[N@@H+]1CCO[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000104793494 543144433 /nfs/dbraw/zinc/14/44/33/543144433.db2.gz RKWTZDRUPQXUPA-HXUWFJFHSA-N 2 2 374.529 2.192 10 0 FEAELP C[N@H+]1CCO[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000104793494 543144435 /nfs/dbraw/zinc/14/44/35/543144435.db2.gz RKWTZDRUPQXUPA-HXUWFJFHSA-N 2 2 374.529 2.192 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000106215452 543218225 /nfs/dbraw/zinc/21/82/25/543218225.db2.gz FLKVWUIKDQRZGV-ZDUSSCGKSA-N 2 2 358.471 2.055 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000106215452 543218227 /nfs/dbraw/zinc/21/82/27/543218227.db2.gz FLKVWUIKDQRZGV-ZDUSSCGKSA-N 2 2 358.471 2.055 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000106217772 543219347 /nfs/dbraw/zinc/21/93/47/543219347.db2.gz KQFZSQBIXPPBAK-KRWDZBQOSA-N 2 2 356.470 2.407 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000106217772 543219348 /nfs/dbraw/zinc/21/93/48/543219348.db2.gz KQFZSQBIXPPBAK-KRWDZBQOSA-N 2 2 356.470 2.407 10 0 FEAELP CCCCc1nnc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000137895297 544393779 /nfs/dbraw/zinc/39/37/79/544393779.db2.gz SFYJDSDIQZUWSF-CQSZACIVSA-N 2 2 362.503 2.489 10 0 FEAELP CCCCc1nnc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000137895297 544393780 /nfs/dbraw/zinc/39/37/80/544393780.db2.gz SFYJDSDIQZUWSF-CQSZACIVSA-N 2 2 362.503 2.489 10 0 FEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000151260473 544522390 /nfs/dbraw/zinc/52/23/90/544522390.db2.gz HNRGWGXWVMKEFQ-BEFAXECRSA-N 2 2 360.502 2.468 10 0 FEAELP Cc1cc(=O)n2nc(C[NH2+][C@H](C)c3cccc(-n4cc[nH+]c4)c3)sc2n1 ZINC000189888201 328173893 /nfs/dbraw/zinc/17/38/93/328173893.db2.gz KAYBOAKZUHBUOB-CYBMUJFWSA-N 2 2 366.450 2.496 10 0 FEAELP C[C@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890621 328173998 /nfs/dbraw/zinc/17/39/98/328173998.db2.gz CKPMFGMMKMJYRU-HOTGVXAUSA-N 2 2 362.499 2.195 10 0 FEAELP OC[C@H]1CCCN1c1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000192956418 328348911 /nfs/dbraw/zinc/34/89/11/328348911.db2.gz IYKAAVHGTWIPPV-RTBURBONSA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@H]1CCCN1c1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc[nH+]1 ZINC000192956418 328348912 /nfs/dbraw/zinc/34/89/12/328348912.db2.gz IYKAAVHGTWIPPV-RTBURBONSA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@H]1CCCN1c1cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000192956418 328348913 /nfs/dbraw/zinc/34/89/13/328348913.db2.gz IYKAAVHGTWIPPV-RTBURBONSA-N 2 2 367.497 2.372 10 0 FEAELP OC[C@H]1CCCN1c1cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]cn1 ZINC000192956418 328348914 /nfs/dbraw/zinc/34/89/14/328348914.db2.gz IYKAAVHGTWIPPV-RTBURBONSA-N 2 2 367.497 2.372 10 0 FEAELP COc1ccccc1/C=C/C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121050372 326309603 /nfs/dbraw/zinc/30/96/03/326309603.db2.gz OUJIEBJJEAZLJT-PVHVJQTOSA-N 2 2 373.541 2.435 10 0 FEAELP COc1ccccc1/C=C/C[NH+]1CCN(C[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121050372 326309605 /nfs/dbraw/zinc/30/96/05/326309605.db2.gz OUJIEBJJEAZLJT-PVHVJQTOSA-N 2 2 373.541 2.435 10 0 FEAELP Cc1csc2nc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)n12 ZINC000171646060 327151271 /nfs/dbraw/zinc/15/12/71/327151271.db2.gz PNDJTZCOHFCUIT-AWEZNQCLSA-N 2 2 355.467 2.393 10 0 FEAELP Cc1csc2nc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc(=O)n12 ZINC000171646060 327151272 /nfs/dbraw/zinc/15/12/72/327151272.db2.gz PNDJTZCOHFCUIT-AWEZNQCLSA-N 2 2 355.467 2.393 10 0 FEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000171647283 327151397 /nfs/dbraw/zinc/15/13/97/327151397.db2.gz BDPCVTQEJLJHHH-HNNXBMFYSA-N 2 2 370.453 2.471 10 0 FEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(OC)c1 ZINC000171647283 327151399 /nfs/dbraw/zinc/15/13/99/327151399.db2.gz BDPCVTQEJLJHHH-HNNXBMFYSA-N 2 2 370.453 2.471 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000173675606 327275788 /nfs/dbraw/zinc/27/57/88/327275788.db2.gz YADYWVXSVZCRCD-QZTJIDSGSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000173675606 327275789 /nfs/dbraw/zinc/27/57/89/327275789.db2.gz YADYWVXSVZCRCD-QZTJIDSGSA-N 2 2 357.502 2.450 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000177931736 327553706 /nfs/dbraw/zinc/55/37/06/327553706.db2.gz SEYKFWVTEFQJLA-INIZCTEOSA-N 2 2 350.482 2.383 10 0 FEAELP COc1ccc([C@@H](C)C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000261841118 328823620 /nfs/dbraw/zinc/82/36/20/328823620.db2.gz WJSCCKYHKUOWMH-HNNXBMFYSA-N 2 2 355.486 2.373 10 0 FEAELP Cc1ccsc1S(=O)(=O)N1CCC[C@H]([N@@H+](C)CCC[NH+](C)C)C1 ZINC000020540415 525864804 /nfs/dbraw/zinc/86/48/04/525864804.db2.gz UHNHYEYFZCQRJH-HNNXBMFYSA-N 2 2 359.561 2.093 10 0 FEAELP Cc1ccsc1S(=O)(=O)N1CCC[C@H]([N@H+](C)CCC[NH+](C)C)C1 ZINC000020540415 525864813 /nfs/dbraw/zinc/86/48/13/525864813.db2.gz UHNHYEYFZCQRJH-HNNXBMFYSA-N 2 2 359.561 2.093 10 0 FEAELP COC(=O)c1cccc([C@@H](C(=O)OC)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000156826225 545666482 /nfs/dbraw/zinc/66/64/82/545666482.db2.gz COOZGIDTXFGOHL-MSOLQXFVSA-N 2 2 371.437 2.357 10 0 FEAELP COC(=O)c1cccc([C@@H](C(=O)OC)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000156826225 545666490 /nfs/dbraw/zinc/66/64/90/545666490.db2.gz COOZGIDTXFGOHL-MSOLQXFVSA-N 2 2 371.437 2.357 10 0 FEAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000176352200 546435494 /nfs/dbraw/zinc/43/54/94/546435494.db2.gz FZIJJAKYQZSWSU-HUUCEWRRSA-N 2 2 357.458 2.006 10 0 FEAELP C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000176352200 546435496 /nfs/dbraw/zinc/43/54/96/546435496.db2.gz FZIJJAKYQZSWSU-HUUCEWRRSA-N 2 2 357.458 2.006 10 0 FEAELP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1 ZINC000180673290 547155450 /nfs/dbraw/zinc/15/54/50/547155450.db2.gz ZBWMRYYVTCLXDI-RDJZCZTQSA-N 2 2 368.518 2.357 10 0 FEAELP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+][C@H]2C[N@H+](C(C)C)C[C@@H]2C)C1 ZINC000180673290 547155454 /nfs/dbraw/zinc/15/54/54/547155454.db2.gz ZBWMRYYVTCLXDI-RDJZCZTQSA-N 2 2 368.518 2.357 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000195335521 548627497 /nfs/dbraw/zinc/62/74/97/548627497.db2.gz BPAMMQJFDRNMID-CVEARBPZSA-N 2 2 350.532 2.184 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3nc(C)cs3)C2)CC1 ZINC000195335521 548627501 /nfs/dbraw/zinc/62/75/01/548627501.db2.gz BPAMMQJFDRNMID-CVEARBPZSA-N 2 2 350.532 2.184 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000245660551 548968709 /nfs/dbraw/zinc/96/87/09/548968709.db2.gz DBYKZWDKAQSTTG-ROUUACIJSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000245660551 548968713 /nfs/dbraw/zinc/96/87/13/548968713.db2.gz DBYKZWDKAQSTTG-ROUUACIJSA-N 2 2 357.502 2.450 10 0 FEAELP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245916496 549018339 /nfs/dbraw/zinc/01/83/39/549018339.db2.gz WQTAPPAFORHRFQ-IXDOHACOSA-N 2 2 371.485 2.030 10 0 FEAELP C[C@@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000245916496 549018343 /nfs/dbraw/zinc/01/83/43/549018343.db2.gz WQTAPPAFORHRFQ-IXDOHACOSA-N 2 2 371.485 2.030 10 0 FEAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246966525 549252960 /nfs/dbraw/zinc/25/29/60/549252960.db2.gz LPEJHPWXPXWRGT-GIVPXCGWSA-N 2 2 371.525 2.078 10 0 FEAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1[NH+]1CCOCC1 ZINC000246966525 549252966 /nfs/dbraw/zinc/25/29/66/549252966.db2.gz LPEJHPWXPXWRGT-GIVPXCGWSA-N 2 2 371.525 2.078 10 0 FEAELP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000247199358 549298449 /nfs/dbraw/zinc/29/84/49/549298449.db2.gz WYXXBJRICZDXAJ-RBUKOAKNSA-N 2 2 357.454 2.298 10 0 FEAELP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000247199358 549298451 /nfs/dbraw/zinc/29/84/51/549298451.db2.gz WYXXBJRICZDXAJ-RBUKOAKNSA-N 2 2 357.454 2.298 10 0 FEAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247269267 549310122 /nfs/dbraw/zinc/31/01/22/549310122.db2.gz RBMMXZACLGFXOV-CZUORRHYSA-N 2 2 354.445 2.351 10 0 FEAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247269267 549310125 /nfs/dbraw/zinc/31/01/25/549310125.db2.gz RBMMXZACLGFXOV-CZUORRHYSA-N 2 2 354.445 2.351 10 0 FEAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261768235 549753527 /nfs/dbraw/zinc/75/35/27/549753527.db2.gz VPBSPINWTZGUNO-UBHSHLNASA-N 2 2 352.276 2.365 10 0 FEAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261768235 549753529 /nfs/dbraw/zinc/75/35/29/549753529.db2.gz VPBSPINWTZGUNO-UBHSHLNASA-N 2 2 352.276 2.365 10 0 FEAELP CCOc1cc2[nH+]ccc(NC[C@@H]3CN4CC[NH+]3CC4)c2cc1OCC ZINC000301801721 553681239 /nfs/dbraw/zinc/68/12/39/553681239.db2.gz WQCDAWKJENLYQH-OAHLLOKOSA-N 2 2 356.470 2.444 10 0 FEAELP OC[C@H]1CCCN1c1cc(NCC2CCN(c3cc[nH+]cc3)CC2)[nH+]cn1 ZINC000301959140 553694479 /nfs/dbraw/zinc/69/44/79/553694479.db2.gz OQYTZUGXVAMKLS-GOSISDBHSA-N 2 2 368.485 2.161 10 0 FEAELP OC[C@H]1CCCN1c1cc(NCC2CCN(c3cc[nH+]cc3)CC2)nc[nH+]1 ZINC000301959140 553694482 /nfs/dbraw/zinc/69/44/82/553694482.db2.gz OQYTZUGXVAMKLS-GOSISDBHSA-N 2 2 368.485 2.161 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1C[C@H]([NH3+])CC[C@H]1C(F)(F)F ZINC000583619843 570809018 /nfs/dbraw/zinc/80/90/18/570809018.db2.gz OTZDNXFZHIYOGS-RISCZKNCSA-N 2 2 354.376 2.479 10 0 FEAELP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2cccc3c2OCCO3)CCC[N@@H+]1C ZINC000583616671 570809816 /nfs/dbraw/zinc/80/98/16/570809816.db2.gz ZBLCGJMYHYAJNN-HNAYVOBHSA-N 2 2 356.470 2.364 10 0 FEAELP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2cccc3c2OCCO3)CCC[N@H+]1C ZINC000583616671 570809819 /nfs/dbraw/zinc/80/98/19/570809819.db2.gz ZBLCGJMYHYAJNN-HNAYVOBHSA-N 2 2 356.470 2.364 10 0 FEAELP CC[N@H+](CCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000049174613 540383497 /nfs/dbraw/zinc/38/34/97/540383497.db2.gz CEAGDNNCQJPKFX-IBGZPJMESA-N 2 2 362.518 2.049 10 0 FEAELP CC[N@@H+](CCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000049174613 540383500 /nfs/dbraw/zinc/38/35/00/540383500.db2.gz CEAGDNNCQJPKFX-IBGZPJMESA-N 2 2 362.518 2.049 10 0 FEAELP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCOCC1 ZINC000067457612 541466848 /nfs/dbraw/zinc/46/68/48/541466848.db2.gz BHYDMAMZYSYCBT-MJGOQNOKSA-N 2 2 366.550 2.051 10 0 FEAELP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+]1CCOCC1 ZINC000067457612 541466851 /nfs/dbraw/zinc/46/68/51/541466851.db2.gz BHYDMAMZYSYCBT-MJGOQNOKSA-N 2 2 366.550 2.051 10 0 FEAELP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCOCC1 ZINC000067457619 541467386 /nfs/dbraw/zinc/46/73/86/541467386.db2.gz BHYDMAMZYSYCBT-IEBWSBKVSA-N 2 2 366.550 2.051 10 0 FEAELP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+]1CCOCC1 ZINC000067457619 541467389 /nfs/dbraw/zinc/46/73/89/541467389.db2.gz BHYDMAMZYSYCBT-IEBWSBKVSA-N 2 2 366.550 2.051 10 0 FEAELP Cc1c[nH]c(CC[NH2+]Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)[nH+]1 ZINC000011935503 207330565 /nfs/dbraw/zinc/33/05/65/207330565.db2.gz RTKVWDKAZOWISP-LJQANCHMSA-N 3 2 372.513 2.276 10 0 FEAELP Cc1cccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130647 543205309 /nfs/dbraw/zinc/20/53/09/543205309.db2.gz SLROFRRGWNUMJO-UHFFFAOYSA-N 2 2 355.486 2.226 10 0 FEAELP Cc1cccc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1 ZINC000106130647 543205312 /nfs/dbraw/zinc/20/53/12/543205312.db2.gz SLROFRRGWNUMJO-UHFFFAOYSA-N 2 2 355.486 2.226 10 0 FEAELP C[N@H+](CCC(=O)Nc1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129035 543205992 /nfs/dbraw/zinc/20/59/92/543205992.db2.gz UPCUYBCJNPHNIQ-UHFFFAOYSA-N 2 2 373.476 2.447 10 0 FEAELP C[N@@H+](CCC(=O)Nc1ccccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129035 543205993 /nfs/dbraw/zinc/20/59/93/543205993.db2.gz UPCUYBCJNPHNIQ-UHFFFAOYSA-N 2 2 373.476 2.447 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000106212450 543218140 /nfs/dbraw/zinc/21/81/40/543218140.db2.gz VMIMOYYSQKRNEH-INIZCTEOSA-N 2 2 362.499 2.061 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1 ZINC000106212450 543218142 /nfs/dbraw/zinc/21/81/42/543218142.db2.gz VMIMOYYSQKRNEH-INIZCTEOSA-N 2 2 362.499 2.061 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000106217667 543219447 /nfs/dbraw/zinc/21/94/47/543219447.db2.gz SJPRAQLVDXYZPZ-HNNXBMFYSA-N 2 2 352.438 2.379 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000106217667 543219449 /nfs/dbraw/zinc/21/94/49/543219449.db2.gz SJPRAQLVDXYZPZ-HNNXBMFYSA-N 2 2 352.438 2.379 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000106215528 543219548 /nfs/dbraw/zinc/21/95/48/543219548.db2.gz DHRDWRZCIJGHDS-MRXNPFEDSA-N 2 2 355.442 2.431 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NC(=O)Nc2ccccc2)C1 ZINC000106215528 543219551 /nfs/dbraw/zinc/21/95/51/543219551.db2.gz DHRDWRZCIJGHDS-MRXNPFEDSA-N 2 2 355.442 2.431 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000111882439 543423186 /nfs/dbraw/zinc/42/31/86/543423186.db2.gz GLZAFLUFDPRAJJ-HUUCEWRRSA-N 2 2 366.456 2.275 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000111882439 543423188 /nfs/dbraw/zinc/42/31/88/543423188.db2.gz GLZAFLUFDPRAJJ-HUUCEWRRSA-N 2 2 366.456 2.275 10 0 FEAELP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000151275971 544524066 /nfs/dbraw/zinc/52/40/66/544524066.db2.gz JKJRPNWDVWVLHL-MJGOQNOKSA-N 2 2 372.513 2.497 10 0 FEAELP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1Cn1cccn1 ZINC000151321852 544528494 /nfs/dbraw/zinc/52/84/94/544528494.db2.gz MIHIMLHOUSKMAC-XLIONFOSSA-N 2 2 372.513 2.437 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000178883618 327613746 /nfs/dbraw/zinc/61/37/46/327613746.db2.gz MXTQEBDNDIJDBK-GOEBONIOSA-N 2 2 350.532 2.122 10 0 FEAELP CC[C@H](C)[C@H](NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000189904082 328175253 /nfs/dbraw/zinc/17/52/53/328175253.db2.gz HTJSVQGVPJLUDP-DOXZYTNZSA-N 2 2 372.469 2.227 10 0 FEAELP C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917681 328175862 /nfs/dbraw/zinc/17/58/62/328175862.db2.gz GOPZGSLRVQVSDP-CRAIPNDOSA-N 2 2 364.453 2.452 10 0 FEAELP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCCN(c4cccnn4)C3)CC2)nc1 ZINC000089733390 325329291 /nfs/dbraw/zinc/32/92/91/325329291.db2.gz RPIPLVNGYRYKLN-IBGZPJMESA-N 2 2 352.486 2.095 10 0 FEAELP c1cnnc(N2CCC[C@H]([NH2+]C3CC[NH+](Cc4ccncc4)CC3)C2)c1 ZINC000089733281 325329297 /nfs/dbraw/zinc/32/92/97/325329297.db2.gz YGPOQARMIFBUDG-IBGZPJMESA-N 2 2 352.486 2.095 10 0 FEAELP C[N@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121207840 326321819 /nfs/dbraw/zinc/32/18/19/326321819.db2.gz KTNFNDQPQJWJOM-UHFFFAOYSA-N 2 2 368.529 2.475 10 0 FEAELP C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000121207840 326321822 /nfs/dbraw/zinc/32/18/22/326321822.db2.gz KTNFNDQPQJWJOM-UHFFFAOYSA-N 2 2 368.529 2.475 10 0 FEAELP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645048 327151227 /nfs/dbraw/zinc/15/12/27/327151227.db2.gz CLPAJANMGCOTKW-QGZVFWFLSA-N 2 2 354.454 2.140 10 0 FEAELP COc1cccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645048 327151228 /nfs/dbraw/zinc/15/12/28/327151228.db2.gz CLPAJANMGCOTKW-QGZVFWFLSA-N 2 2 354.454 2.140 10 0 FEAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)COC[C@@H]2C)CC1 ZINC000172667378 327214036 /nfs/dbraw/zinc/21/40/36/327214036.db2.gz JUJSJONSAPUSPN-ROUUACIJSA-N 2 2 359.514 2.185 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)Nc2cccc(F)c2)nc[nH+]1 ZINC000174287029 327317408 /nfs/dbraw/zinc/31/74/08/327317408.db2.gz LAUYAWAQYSTRCY-XJKSGUPXSA-N 2 2 372.448 2.243 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)s1 ZINC000176565746 327463624 /nfs/dbraw/zinc/46/36/24/327463624.db2.gz UFJULOKSLLKGKR-JKSUJKDBSA-N 2 2 365.547 2.152 10 0 FEAELP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261999778 328834372 /nfs/dbraw/zinc/83/43/72/328834372.db2.gz UJHAVTKWLJBMMD-OTNPHJDUSA-N 3 2 358.530 2.354 10 0 FEAELP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)[nH+]c2)CC1 ZINC000262036069 328837043 /nfs/dbraw/zinc/83/70/43/328837043.db2.gz XYGYJKCPXOZPIO-ZCNNSNEGSA-N 3 2 373.545 2.181 10 0 FEAELP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3CC(F)(F)C[NH2+]3)c2)C[C@@H](C)O1 ZINC000263282332 328930160 /nfs/dbraw/zinc/93/01/60/328930160.db2.gz UMCRCTJVSSTZIJ-XJKCOSOUSA-N 2 2 353.413 2.232 10 0 FEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000177310748 546591933 /nfs/dbraw/zinc/59/19/33/546591933.db2.gz NHKOWEVBHHDVHK-HXUWFJFHSA-N 2 2 374.529 2.145 10 0 FEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000177310748 546591941 /nfs/dbraw/zinc/59/19/41/546591941.db2.gz NHKOWEVBHHDVHK-HXUWFJFHSA-N 2 2 374.529 2.145 10 0 FEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000177337916 546596188 /nfs/dbraw/zinc/59/61/88/546596188.db2.gz YRPRHPHJXHERSD-UXHICEINSA-N 2 2 374.529 2.186 10 0 FEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000177337916 546596192 /nfs/dbraw/zinc/59/61/92/546596192.db2.gz YRPRHPHJXHERSD-UXHICEINSA-N 2 2 374.529 2.186 10 0 FEAELP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178296177 546771042 /nfs/dbraw/zinc/77/10/42/546771042.db2.gz VLRRUIVAWNCSHK-MRXNPFEDSA-N 2 2 363.483 2.138 10 0 FEAELP COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178296177 546771049 /nfs/dbraw/zinc/77/10/49/546771049.db2.gz VLRRUIVAWNCSHK-MRXNPFEDSA-N 2 2 363.483 2.138 10 0 FEAELP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178314326 546774736 /nfs/dbraw/zinc/77/47/36/546774736.db2.gz RQYAMNLINKKXIB-MOPGFXCFSA-N 2 2 359.470 2.242 10 0 FEAELP COc1ccc(COC[C@@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178314326 546774741 /nfs/dbraw/zinc/77/47/41/546774741.db2.gz RQYAMNLINKKXIB-MOPGFXCFSA-N 2 2 359.470 2.242 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)nc[nH+]1 ZINC000180564862 547132036 /nfs/dbraw/zinc/13/20/36/547132036.db2.gz RQOPDNZIWUATBH-IRXDYDNUSA-N 2 2 374.533 2.258 10 0 FEAELP CC[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000181868723 547394441 /nfs/dbraw/zinc/39/44/41/547394441.db2.gz PQDGZIJYTOMBHC-LPHOPBHVSA-N 2 2 371.485 2.031 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299298 548615814 /nfs/dbraw/zinc/61/58/14/548615814.db2.gz ACDXKAAGMNSGLV-MRXNPFEDSA-N 2 2 369.494 2.105 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299298 548615818 /nfs/dbraw/zinc/61/58/18/548615818.db2.gz ACDXKAAGMNSGLV-MRXNPFEDSA-N 2 2 369.494 2.105 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299298 548615821 /nfs/dbraw/zinc/61/58/21/548615821.db2.gz ACDXKAAGMNSGLV-MRXNPFEDSA-N 2 2 369.494 2.105 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299298 548615826 /nfs/dbraw/zinc/61/58/26/548615826.db2.gz ACDXKAAGMNSGLV-MRXNPFEDSA-N 2 2 369.494 2.105 10 0 FEAELP O=C([C@H]1COCC[NH2+]1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000238012103 548872054 /nfs/dbraw/zinc/87/20/54/548872054.db2.gz LUGMGJXXSJRJHO-LJQANCHMSA-N 2 2 357.498 2.022 10 0 FEAELP O=C([C@H]1COCC[NH2+]1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000238012103 548872058 /nfs/dbraw/zinc/87/20/58/548872058.db2.gz LUGMGJXXSJRJHO-LJQANCHMSA-N 2 2 357.498 2.022 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640280 549473949 /nfs/dbraw/zinc/47/39/49/549473949.db2.gz BTGKFHDLMWZWCC-GDBMZVCRSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640280 549473952 /nfs/dbraw/zinc/47/39/52/549473952.db2.gz BTGKFHDLMWZWCC-GDBMZVCRSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640280 549473955 /nfs/dbraw/zinc/47/39/55/549473955.db2.gz BTGKFHDLMWZWCC-GDBMZVCRSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640280 549473960 /nfs/dbraw/zinc/47/39/60/549473960.db2.gz BTGKFHDLMWZWCC-GDBMZVCRSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646850 549476633 /nfs/dbraw/zinc/47/66/33/549476633.db2.gz HVHQIOMOZXFCDR-CVEARBPZSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646850 549476635 /nfs/dbraw/zinc/47/66/35/549476635.db2.gz HVHQIOMOZXFCDR-CVEARBPZSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646850 549476636 /nfs/dbraw/zinc/47/66/36/549476636.db2.gz HVHQIOMOZXFCDR-CVEARBPZSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)NCC(C)C)C1 ZINC000248646850 549476638 /nfs/dbraw/zinc/47/66/38/549476638.db2.gz HVHQIOMOZXFCDR-CVEARBPZSA-N 2 2 352.548 2.366 10 0 FEAELP CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249007616 549539085 /nfs/dbraw/zinc/53/90/85/549539085.db2.gz UWVSFKKZQNGWJG-AEAUEXCSSA-N 2 2 357.832 2.431 10 0 FEAELP CC[N@H+]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249007616 549539089 /nfs/dbraw/zinc/53/90/89/549539089.db2.gz UWVSFKKZQNGWJG-AEAUEXCSSA-N 2 2 357.832 2.431 10 0 FEAELP [NH3+]Cc1nc(C[N@@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)no1 ZINC000261761909 549752640 /nfs/dbraw/zinc/75/26/40/549752640.db2.gz OCBKKRQKDCXEMJ-LBPRGKRZSA-N 2 2 358.377 2.097 10 0 FEAELP [NH3+]Cc1nc(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)no1 ZINC000261761909 549752643 /nfs/dbraw/zinc/75/26/43/549752643.db2.gz OCBKKRQKDCXEMJ-LBPRGKRZSA-N 2 2 358.377 2.097 10 0 FEAELP [NH3+]Cc1nc(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)no1 ZINC000261893508 549766695 /nfs/dbraw/zinc/76/66/95/549766695.db2.gz AOTLRJLQZDWQHZ-UHFFFAOYSA-N 2 2 369.391 2.255 10 0 FEAELP C[NH+]1CCC([N@H+](CCO)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000109133111 670837232 /nfs/dbraw/zinc/83/72/32/670837232.db2.gz IOCALLPHVCFOKS-MRXNPFEDSA-N 2 2 355.523 2.022 10 0 FEAELP C[NH+]1CCC([N@@H+](CCO)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000109133111 670837239 /nfs/dbraw/zinc/83/72/39/670837239.db2.gz IOCALLPHVCFOKS-MRXNPFEDSA-N 2 2 355.523 2.022 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000247373075 549326153 /nfs/dbraw/zinc/32/61/53/549326153.db2.gz PGRXBLFOURCIPM-LMMKCTJWSA-N 2 2 359.518 2.199 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000247373075 549326156 /nfs/dbraw/zinc/32/61/56/549326156.db2.gz PGRXBLFOURCIPM-LMMKCTJWSA-N 2 2 359.518 2.199 10 0 FEAELP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000067734288 541506555 /nfs/dbraw/zinc/50/65/55/541506555.db2.gz JNYFTLBAKWTYMY-ICSRJNTNSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000067734288 541506561 /nfs/dbraw/zinc/50/65/61/541506561.db2.gz JNYFTLBAKWTYMY-ICSRJNTNSA-N 2 2 374.529 2.061 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000068095492 541547566 /nfs/dbraw/zinc/54/75/66/541547566.db2.gz XIYCQXJLSPPSHL-MRXNPFEDSA-N 2 2 370.497 2.310 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000068095492 541547571 /nfs/dbraw/zinc/54/75/71/541547571.db2.gz XIYCQXJLSPPSHL-MRXNPFEDSA-N 2 2 370.497 2.310 10 0 FEAELP O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000033128964 136117411 /nfs/dbraw/zinc/11/74/11/136117411.db2.gz LWMSUEFFFACPDC-UHFFFAOYSA-N 2 2 351.454 2.042 10 0 FEAELP C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000106903120 543254193 /nfs/dbraw/zinc/25/41/93/543254193.db2.gz QUNOSZHPGHWNLA-ZHALLVOQSA-N 2 2 361.530 2.163 10 0 FEAELP COC(=O)CCCc1nc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111213100 543385091 /nfs/dbraw/zinc/38/50/91/543385091.db2.gz MTNRPKBXOGRHSW-OAHLLOKOSA-N 2 2 373.457 2.203 10 0 FEAELP COC(=O)CCCc1nc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000111213100 543385094 /nfs/dbraw/zinc/38/50/94/543385094.db2.gz MTNRPKBXOGRHSW-OAHLLOKOSA-N 2 2 373.457 2.203 10 0 FEAELP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000114823728 543538212 /nfs/dbraw/zinc/53/82/12/543538212.db2.gz ABRCEZBBPPZNLB-PKOBYXMFSA-N 2 2 361.534 2.446 10 0 FEAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000115389934 543564945 /nfs/dbraw/zinc/56/49/45/543564945.db2.gz WZNLZMSFEUJJQJ-UHFFFAOYSA-N 2 2 369.513 2.057 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C2)[nH+]1 ZINC000247483078 549341837 /nfs/dbraw/zinc/34/18/37/549341837.db2.gz FVVHZZFUUQOWLN-KBPBESRZSA-N 2 2 356.392 2.287 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C2)[nH+]1 ZINC000247483078 549341840 /nfs/dbraw/zinc/34/18/40/549341840.db2.gz FVVHZZFUUQOWLN-KBPBESRZSA-N 2 2 356.392 2.287 10 0 FEAELP C[C@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)CCS1 ZINC000080493560 325133172 /nfs/dbraw/zinc/13/31/72/325133172.db2.gz AZQJHKFDBCWRAX-INIZCTEOSA-N 2 2 354.564 2.084 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(OC)ccc2OC)nc[nH+]1 ZINC000109070098 325657985 /nfs/dbraw/zinc/65/79/85/325657985.db2.gz XIYVVOCMYHNDMC-HNNXBMFYSA-N 2 2 357.458 2.294 10 0 FEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119055821 326122540 /nfs/dbraw/zinc/12/25/40/326122540.db2.gz RZQVBHVFIUJODI-INIZCTEOSA-N 2 2 361.490 2.175 10 0 FEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119055821 326122541 /nfs/dbraw/zinc/12/25/41/326122541.db2.gz RZQVBHVFIUJODI-INIZCTEOSA-N 2 2 361.490 2.175 10 0 FEAELP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000171583055 327146867 /nfs/dbraw/zinc/14/68/67/327146867.db2.gz BXTSIPUBEBNCNK-SFHVURJKSA-N 2 2 360.502 2.178 10 0 FEAELP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000171583055 327146868 /nfs/dbraw/zinc/14/68/68/327146868.db2.gz BXTSIPUBEBNCNK-SFHVURJKSA-N 2 2 360.502 2.178 10 0 FEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1cc(F)cc(F)c1 ZINC000171641635 327150599 /nfs/dbraw/zinc/15/05/99/327150599.db2.gz BKIOBVUJMBLHSO-AWEZNQCLSA-N 2 2 360.408 2.410 10 0 FEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)NCc1cc(F)cc(F)c1 ZINC000171641635 327150601 /nfs/dbraw/zinc/15/06/01/327150601.db2.gz BKIOBVUJMBLHSO-AWEZNQCLSA-N 2 2 360.408 2.410 10 0 FEAELP COCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641356 327150871 /nfs/dbraw/zinc/15/08/71/327150871.db2.gz UHZSHAYGQKTSER-IBGZPJMESA-N 2 2 368.481 2.278 10 0 FEAELP COCc1cccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171641356 327150873 /nfs/dbraw/zinc/15/08/73/327150873.db2.gz UHZSHAYGQKTSER-IBGZPJMESA-N 2 2 368.481 2.278 10 0 FEAELP O=C(C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000171647289 327151315 /nfs/dbraw/zinc/15/13/15/327151315.db2.gz NOYXCJKKIWZOLW-HNNXBMFYSA-N 2 2 368.437 2.225 10 0 FEAELP O=C(C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1)Nc1ccc2c(c1)OCCO2 ZINC000171647289 327151316 /nfs/dbraw/zinc/15/13/16/327151316.db2.gz NOYXCJKKIWZOLW-HNNXBMFYSA-N 2 2 368.437 2.225 10 0 FEAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCS[C@H](C)C3)CC2)cc1 ZINC000171689178 327155093 /nfs/dbraw/zinc/15/50/93/327155093.db2.gz CIURLKLBPKBLQP-GOSISDBHSA-N 2 2 361.555 2.467 10 0 FEAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCS[C@H](C)C3)CC2)cc1 ZINC000171689178 327155095 /nfs/dbraw/zinc/15/50/95/327155095.db2.gz CIURLKLBPKBLQP-GOSISDBHSA-N 2 2 361.555 2.467 10 0 FEAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCS[C@H](C)C3)CC2)cc1 ZINC000171689178 327155097 /nfs/dbraw/zinc/15/50/97/327155097.db2.gz CIURLKLBPKBLQP-GOSISDBHSA-N 2 2 361.555 2.467 10 0 FEAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCS[C@H](C)C3)CC2)cc1 ZINC000171689178 327155098 /nfs/dbraw/zinc/15/50/98/327155098.db2.gz CIURLKLBPKBLQP-GOSISDBHSA-N 2 2 361.555 2.467 10 0 FEAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171900451 327168778 /nfs/dbraw/zinc/16/87/78/327168778.db2.gz FALQEAUDROONAV-SFHVURJKSA-N 2 2 357.502 2.452 10 0 FEAELP O=C(NCc1ccc(N2CCCCCC2)[nH+]c1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171900451 327168780 /nfs/dbraw/zinc/16/87/80/327168780.db2.gz FALQEAUDROONAV-SFHVURJKSA-N 2 2 357.502 2.452 10 0 FEAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000174738832 327347223 /nfs/dbraw/zinc/34/72/23/327347223.db2.gz TWZDPXCIBYVEOO-SFHVURJKSA-N 2 2 354.498 2.466 10 0 FEAELP CC(C)N1CCO[C@@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000174738832 327347224 /nfs/dbraw/zinc/34/72/24/327347224.db2.gz TWZDPXCIBYVEOO-SFHVURJKSA-N 2 2 354.498 2.466 10 0 FEAELP C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000261900577 328828016 /nfs/dbraw/zinc/82/80/16/328828016.db2.gz HQSYQRNQFCIXPB-BSWVEEBUSA-N 2 2 360.502 2.264 10 0 FEAELP C[NH+]1CCC(C(=O)N2CC[C@H](Oc3ccc[nH+]c3N3CCCC3)C2)CC1 ZINC000275567154 523748663 /nfs/dbraw/zinc/74/86/63/523748663.db2.gz IPGQSKXGEFGDNJ-KRWDZBQOSA-N 2 2 358.486 2.003 10 0 FEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177385322 546605669 /nfs/dbraw/zinc/60/56/69/546605669.db2.gz RQZGLHLDLHISDD-ZWKOTPCHSA-N 2 2 360.546 2.210 10 0 FEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177385322 546605676 /nfs/dbraw/zinc/60/56/76/546605676.db2.gz RQZGLHLDLHISDD-ZWKOTPCHSA-N 2 2 360.546 2.210 10 0 FEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177385322 546605682 /nfs/dbraw/zinc/60/56/82/546605682.db2.gz RQZGLHLDLHISDD-ZWKOTPCHSA-N 2 2 360.546 2.210 10 0 FEAELP C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177385322 546605687 /nfs/dbraw/zinc/60/56/87/546605687.db2.gz RQZGLHLDLHISDD-ZWKOTPCHSA-N 2 2 360.546 2.210 10 0 FEAELP COC(=O)c1ccccc1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000179518936 546969428 /nfs/dbraw/zinc/96/94/28/546969428.db2.gz BHKZNNFGZSVPNY-UHFFFAOYSA-N 2 2 356.470 2.266 10 0 FEAELP COC(=O)c1ccccc1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000179518936 546969432 /nfs/dbraw/zinc/96/94/32/546969432.db2.gz BHKZNNFGZSVPNY-UHFFFAOYSA-N 2 2 356.470 2.266 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251771 548604150 /nfs/dbraw/zinc/60/41/50/548604150.db2.gz XONNSVMMQXJCAZ-QAPCUYQASA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251771 548604152 /nfs/dbraw/zinc/60/41/52/548604152.db2.gz XONNSVMMQXJCAZ-QAPCUYQASA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251771 548604154 /nfs/dbraw/zinc/60/41/54/548604154.db2.gz XONNSVMMQXJCAZ-QAPCUYQASA-N 2 2 358.511 2.432 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccccc2)C1 ZINC000195251771 548604157 /nfs/dbraw/zinc/60/41/57/548604157.db2.gz XONNSVMMQXJCAZ-QAPCUYQASA-N 2 2 358.511 2.432 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCc3ccccc32)C1 ZINC000195294443 548614202 /nfs/dbraw/zinc/61/42/02/548614202.db2.gz JGIWHEAPZCLGIC-IBGZPJMESA-N 2 2 364.493 2.425 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)N2CCc3ccccc32)C1 ZINC000195294443 548614208 /nfs/dbraw/zinc/61/42/08/548614208.db2.gz JGIWHEAPZCLGIC-IBGZPJMESA-N 2 2 364.493 2.425 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000195294443 548614213 /nfs/dbraw/zinc/61/42/13/548614213.db2.gz JGIWHEAPZCLGIC-IBGZPJMESA-N 2 2 364.493 2.425 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)N2CCc3ccccc32)C1 ZINC000195294443 548614217 /nfs/dbraw/zinc/61/42/17/548614217.db2.gz JGIWHEAPZCLGIC-IBGZPJMESA-N 2 2 364.493 2.425 10 0 FEAELP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000245416807 548912961 /nfs/dbraw/zinc/91/29/61/548912961.db2.gz IZSOYJSPJTYHCF-VQTJNVASSA-N 2 2 374.529 2.186 10 0 FEAELP CC[N@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000245416807 548912962 /nfs/dbraw/zinc/91/29/62/548912962.db2.gz IZSOYJSPJTYHCF-VQTJNVASSA-N 2 2 374.529 2.186 10 0 FEAELP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652741 549739013 /nfs/dbraw/zinc/73/90/13/549739013.db2.gz GLPWOUNWKACTNA-JQHSSLGASA-N 2 2 355.486 2.465 10 0 FEAELP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261652741 549739016 /nfs/dbraw/zinc/73/90/16/549739016.db2.gz GLPWOUNWKACTNA-JQHSSLGASA-N 2 2 355.486 2.465 10 0 FEAELP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000261889409 549766963 /nfs/dbraw/zinc/76/69/63/549766963.db2.gz QIUZPNUEXYECAP-KLHFOMLHSA-N 2 2 357.498 2.155 10 0 FEAELP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)c2)CCO1 ZINC000261965928 549775696 /nfs/dbraw/zinc/77/56/96/549775696.db2.gz PZMYJYBURGTGKM-YCZSINBZSA-N 3 2 373.541 2.154 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)c2)CCO1 ZINC000261965928 549775701 /nfs/dbraw/zinc/77/57/01/549775701.db2.gz PZMYJYBURGTGKM-YCZSINBZSA-N 3 2 373.541 2.154 10 0 FEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000311552026 553754949 /nfs/dbraw/zinc/75/49/49/553754949.db2.gz PVGMYGGEURXZGH-YSIASYRMSA-N 3 2 353.514 2.486 10 0 FEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000311552026 553754951 /nfs/dbraw/zinc/75/49/51/553754951.db2.gz PVGMYGGEURXZGH-YSIASYRMSA-N 3 2 353.514 2.486 10 0 FEAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000065517322 541242134 /nfs/dbraw/zinc/24/21/34/541242134.db2.gz GTNSCJFKHBHHKA-QUCCMNQESA-N 2 2 374.529 2.061 10 0 FEAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000065517322 541242137 /nfs/dbraw/zinc/24/21/37/541242137.db2.gz GTNSCJFKHBHHKA-QUCCMNQESA-N 2 2 374.529 2.061 10 0 FEAELP C[C@H](CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)[NH+]1CCOCC1 ZINC000074010874 542026230 /nfs/dbraw/zinc/02/62/30/542026230.db2.gz PDJGUJAPQRJVJW-OTWHNJEPSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+]1CCOCC1 ZINC000074010874 542026232 /nfs/dbraw/zinc/02/62/32/542026232.db2.gz PDJGUJAPQRJVJW-OTWHNJEPSA-N 2 2 366.550 2.003 10 0 FEAELP C[C@@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000079598954 542530112 /nfs/dbraw/zinc/53/01/12/542530112.db2.gz BVHAMISLPCTTMX-SFHVURJKSA-N 2 2 366.550 2.005 10 0 FEAELP C[C@@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000079598954 542530115 /nfs/dbraw/zinc/53/01/15/542530115.db2.gz BVHAMISLPCTTMX-SFHVURJKSA-N 2 2 366.550 2.005 10 0 FEAELP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)N[C@@H](C)c3ccccc3)CC2)c1 ZINC000104719691 543139274 /nfs/dbraw/zinc/13/92/74/543139274.db2.gz QYGITBZPFNBLLC-DLBZAZTESA-N 2 2 368.481 2.478 10 0 FEAELP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128762 543205424 /nfs/dbraw/zinc/20/54/24/543205424.db2.gz PEPVRFVPFIXMDF-SFHVURJKSA-N 2 2 363.550 2.172 10 0 FEAELP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128762 543205427 /nfs/dbraw/zinc/20/54/27/543205427.db2.gz PEPVRFVPFIXMDF-SFHVURJKSA-N 2 2 363.550 2.172 10 0 FEAELP C[N@H+](C[C@H](O)c1c(F)cccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128913 543206069 /nfs/dbraw/zinc/20/60/69/543206069.db2.gz PJAOHKDXWILQJV-SFHVURJKSA-N 2 2 364.440 2.291 10 0 FEAELP C[N@@H+](C[C@H](O)c1c(F)cccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128913 543206070 /nfs/dbraw/zinc/20/60/70/543206070.db2.gz PJAOHKDXWILQJV-SFHVURJKSA-N 2 2 364.440 2.291 10 0 FEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1F ZINC000106123457 543203955 /nfs/dbraw/zinc/20/39/55/543203955.db2.gz LFYJKQTTWUIQSD-GOSISDBHSA-N 2 2 365.493 2.061 10 0 FEAELP COc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1F ZINC000106123457 543203957 /nfs/dbraw/zinc/20/39/57/543203957.db2.gz LFYJKQTTWUIQSD-GOSISDBHSA-N 2 2 365.493 2.061 10 0 FEAELP CCOc1ccc(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1 ZINC000122606770 543713419 /nfs/dbraw/zinc/71/34/19/543713419.db2.gz BWAIGERUIJOOKF-OAQYLSRUSA-N 2 2 361.530 2.312 10 0 FEAELP CCOc1ccc(C[NH+]2CCN(C[C@@H]3C[N@H+](C(C)C)CCO3)CC2)cc1 ZINC000122606770 543713424 /nfs/dbraw/zinc/71/34/24/543713424.db2.gz BWAIGERUIJOOKF-OAQYLSRUSA-N 2 2 361.530 2.312 10 0 FEAELP Cc1ccc([C@@H](CNC(=O)NC[C@H](C)[NH+]2CCOCC2)[NH+]2CCCC2)cc1 ZINC000131091239 544176809 /nfs/dbraw/zinc/17/68/09/544176809.db2.gz XPAKBQOSRDZXDG-AZUAARDMSA-N 2 2 374.529 2.152 10 0 FEAELP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000182907498 327793429 /nfs/dbraw/zinc/79/34/29/327793429.db2.gz MHTINIPPXVQDGL-INIZCTEOSA-N 2 2 356.297 2.432 10 0 FEAELP C[C@@H]([NH2+]C[C@@H]1CCCN(S(C)(=O)=O)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189890638 328173951 /nfs/dbraw/zinc/17/39/51/328173951.db2.gz CKPMFGMMKMJYRU-CVEARBPZSA-N 2 2 362.499 2.195 10 0 FEAELP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[NH+]2CCOCC2)cc1 ZINC000086364618 325262903 /nfs/dbraw/zinc/26/29/03/325262903.db2.gz MUVBXEODLHWVGO-HOTGVXAUSA-N 2 2 371.485 2.262 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@H](c4cnn(C)c4)C3)c2cc1C ZINC000116309947 326005708 /nfs/dbraw/zinc/00/57/08/326005708.db2.gz XCXZDEGIIQGXAU-WMZOPIPTSA-N 2 2 353.470 2.237 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@H](c4cnn(C)c4)C3)c2cc1C ZINC000116309947 326005711 /nfs/dbraw/zinc/00/57/11/326005711.db2.gz XCXZDEGIIQGXAU-WMZOPIPTSA-N 2 2 353.470 2.237 10 0 FEAELP CC[NH+](CC)CCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116519520 326019856 /nfs/dbraw/zinc/01/98/56/326019856.db2.gz CJZXGZDZZZWFBN-UHFFFAOYSA-N 2 2 353.536 2.011 10 0 FEAELP CC[NH+](CC)CCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116519520 326019858 /nfs/dbraw/zinc/01/98/58/326019858.db2.gz CJZXGZDZZZWFBN-UHFFFAOYSA-N 2 2 353.536 2.011 10 0 FEAELP Cc1cc(NC(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)cc[nH+]1 ZINC000120465504 326260896 /nfs/dbraw/zinc/26/08/96/326260896.db2.gz LXAAGIYCWXLXRF-UHFFFAOYSA-N 2 2 354.458 2.201 10 0 FEAELP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647737 327151579 /nfs/dbraw/zinc/15/15/79/327151579.db2.gz BUFAUULMYYAJMH-HNNXBMFYSA-N 2 2 368.437 2.241 10 0 FEAELP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647737 327151581 /nfs/dbraw/zinc/15/15/81/327151581.db2.gz BUFAUULMYYAJMH-HNNXBMFYSA-N 2 2 368.437 2.241 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000172247982 327190104 /nfs/dbraw/zinc/19/01/04/327190104.db2.gz KMCRQGRZOORWJS-INIZCTEOSA-N 2 2 351.454 2.493 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCn2cnc3ccccc3c2=O)C1 ZINC000172247982 327190105 /nfs/dbraw/zinc/19/01/05/327190105.db2.gz KMCRQGRZOORWJS-INIZCTEOSA-N 2 2 351.454 2.493 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CC ZINC000172297029 327193460 /nfs/dbraw/zinc/19/34/60/327193460.db2.gz AZRRILNBAPIQJM-SFHVURJKSA-N 2 2 356.470 2.445 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@@H]1CC ZINC000172297029 327193462 /nfs/dbraw/zinc/19/34/62/327193462.db2.gz AZRRILNBAPIQJM-SFHVURJKSA-N 2 2 356.470 2.445 10 0 FEAELP COC(=O)[C@H](c1ccccc1F)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000173335247 327250329 /nfs/dbraw/zinc/25/03/29/327250329.db2.gz ZMCJGYOSDCWHIP-KSSFIOAISA-N 2 2 352.450 2.064 10 0 FEAELP COC(=O)[C@H](c1ccccc1F)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000173335247 327250330 /nfs/dbraw/zinc/25/03/30/327250330.db2.gz ZMCJGYOSDCWHIP-KSSFIOAISA-N 2 2 352.450 2.064 10 0 FEAELP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173769423 327283067 /nfs/dbraw/zinc/28/30/67/327283067.db2.gz GSTHBZFNPLUIMK-FQEVSTJZSA-N 2 2 374.529 2.145 10 0 FEAELP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173779585 327283642 /nfs/dbraw/zinc/28/36/42/327283642.db2.gz MFGPNOHBGDXHKS-FQEVSTJZSA-N 2 2 374.529 2.145 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)Nc2ccccc2C)nc[nH+]1 ZINC000174285363 327317074 /nfs/dbraw/zinc/31/70/74/327317074.db2.gz FGUOIVCVEUVDMJ-HZPDHXFCSA-N 2 2 368.485 2.412 10 0 FEAELP C[C@H](CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000175182856 327378506 /nfs/dbraw/zinc/37/85/06/327378506.db2.gz YGAXUHZSHRTOPY-SJORKVTESA-N 2 2 371.485 2.201 10 0 FEAELP C[C@H](CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000175772095 327412071 /nfs/dbraw/zinc/41/20/71/327412071.db2.gz DWMYXVAKVGTPOK-GOSISDBHSA-N 2 2 374.529 2.013 10 0 FEAELP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC(F)(F)C[NH2+]3)CC2)cc1 ZINC000263010851 328908417 /nfs/dbraw/zinc/90/84/17/328908417.db2.gz PTEOSYIIXGJLRJ-KRWDZBQOSA-N 2 2 367.440 2.021 10 0 FEAELP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000263280384 328930201 /nfs/dbraw/zinc/93/02/01/328930201.db2.gz UEJJLXJGQALNPW-FZMZJTMJSA-N 2 2 368.300 2.243 10 0 FEAELP COc1cccc(C(=O)N(Cc2[nH+]ccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000262111860 525792799 /nfs/dbraw/zinc/79/27/99/525792799.db2.gz KOGWXUYOBXGXAR-KRWDZBQOSA-N 2 2 354.454 2.213 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)s1 ZINC000176565701 546461686 /nfs/dbraw/zinc/46/16/86/546461686.db2.gz UFJULOKSLLKGKR-CVEARBPZSA-N 2 2 365.547 2.152 10 0 FEAELP CC(C)CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672437 547155194 /nfs/dbraw/zinc/15/51/94/547155194.db2.gz ZISVTTCGWZTMHZ-GJZGRUSLSA-N 2 2 357.458 2.393 10 0 FEAELP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000181868745 547394468 /nfs/dbraw/zinc/39/44/68/547394468.db2.gz PQDGZIJYTOMBHC-QFBILLFUSA-N 2 2 371.485 2.031 10 0 FEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000184246171 547793593 /nfs/dbraw/zinc/79/35/93/547793593.db2.gz JQHSMZZNBLGIHH-FQEVSTJZSA-N 2 2 359.514 2.052 10 0 FEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000184246171 547793595 /nfs/dbraw/zinc/79/35/95/547793595.db2.gz JQHSMZZNBLGIHH-FQEVSTJZSA-N 2 2 359.514 2.052 10 0 FEAELP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000184246171 547793600 /nfs/dbraw/zinc/79/36/00/547793600.db2.gz JQHSMZZNBLGIHH-FQEVSTJZSA-N 2 2 359.514 2.052 10 0 FEAELP CCCC[NH+]1CCOC[C@H]1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000184246171 547793603 /nfs/dbraw/zinc/79/36/03/547793603.db2.gz JQHSMZZNBLGIHH-FQEVSTJZSA-N 2 2 359.514 2.052 10 0 FEAELP C[C@H]1C[N@@H+]([C@@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CCO1 ZINC000186383492 548127275 /nfs/dbraw/zinc/12/72/75/548127275.db2.gz YOCMQFNWRWPMOS-HOTGVXAUSA-N 2 2 368.547 2.103 10 0 FEAELP C[C@H]1C[N@H+]([C@@H](CNC(=O)N(C)CCC[NH+](C)C)c2cccs2)CCO1 ZINC000186383492 548127278 /nfs/dbraw/zinc/12/72/78/548127278.db2.gz YOCMQFNWRWPMOS-HOTGVXAUSA-N 2 2 368.547 2.103 10 0 FEAELP C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000189901890 548314099 /nfs/dbraw/zinc/31/40/99/548314099.db2.gz NXFCCZJGCVARSY-CQSZACIVSA-N 2 2 355.442 2.291 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCCCC2)C1 ZINC000195250633 548603459 /nfs/dbraw/zinc/60/34/59/548603459.db2.gz AVLICXXAIAYECK-MRXNPFEDSA-N 2 2 350.532 2.218 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCCCC2)C1 ZINC000195250633 548603464 /nfs/dbraw/zinc/60/34/64/548603464.db2.gz AVLICXXAIAYECK-MRXNPFEDSA-N 2 2 350.532 2.218 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCCCC2)C1 ZINC000195250633 548603471 /nfs/dbraw/zinc/60/34/71/548603471.db2.gz AVLICXXAIAYECK-MRXNPFEDSA-N 2 2 350.532 2.218 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCCCC2)C1 ZINC000195250633 548603478 /nfs/dbraw/zinc/60/34/78/548603478.db2.gz AVLICXXAIAYECK-MRXNPFEDSA-N 2 2 350.532 2.218 10 0 FEAELP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246868548 549231734 /nfs/dbraw/zinc/23/17/34/549231734.db2.gz FYMAWNCGNLZRDY-QZTJIDSGSA-N 2 2 366.550 2.003 10 0 FEAELP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)C1 ZINC000246868548 549231736 /nfs/dbraw/zinc/23/17/36/549231736.db2.gz FYMAWNCGNLZRDY-QZTJIDSGSA-N 2 2 366.550 2.003 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261605780 549733820 /nfs/dbraw/zinc/73/38/20/549733820.db2.gz BDDDXHDHXXPDSR-XLIONFOSSA-N 2 2 366.465 2.258 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261605780 549733823 /nfs/dbraw/zinc/73/38/23/549733823.db2.gz BDDDXHDHXXPDSR-XLIONFOSSA-N 2 2 366.465 2.258 10 0 FEAELP C[C@]([NH3+])(C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000261761041 549752589 /nfs/dbraw/zinc/75/25/89/549752589.db2.gz NLWIURXQSRQPFK-NVXWUHKLSA-N 2 2 366.303 2.320 10 0 FEAELP C[C@]([NH3+])(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000261761041 549752593 /nfs/dbraw/zinc/75/25/93/549752593.db2.gz NLWIURXQSRQPFK-NVXWUHKLSA-N 2 2 366.303 2.320 10 0 FEAELP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000261904718 549768823 /nfs/dbraw/zinc/76/88/23/549768823.db2.gz ICDVXKGYOPCNRH-YPAWHYETSA-N 3 2 357.542 2.440 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000247380065 549327263 /nfs/dbraw/zinc/32/72/63/549327263.db2.gz PRWSZVPDOXXYGI-YZGWKJHDSA-N 2 2 374.529 2.088 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000247380065 549327266 /nfs/dbraw/zinc/32/72/66/549327266.db2.gz PRWSZVPDOXXYGI-YZGWKJHDSA-N 2 2 374.529 2.088 10 0 FEAELP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000077531768 542393608 /nfs/dbraw/zinc/39/36/08/542393608.db2.gz JNBWWEMTAQZLDT-RTBURBONSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000077531768 542393611 /nfs/dbraw/zinc/39/36/11/542393611.db2.gz JNBWWEMTAQZLDT-RTBURBONSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000077531771 542393671 /nfs/dbraw/zinc/39/36/71/542393671.db2.gz JNBWWEMTAQZLDT-MOPGFXCFSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCOCC1 ZINC000077531771 542393675 /nfs/dbraw/zinc/39/36/75/542393675.db2.gz JNBWWEMTAQZLDT-MOPGFXCFSA-N 2 2 374.529 2.013 10 0 FEAELP C[NH+]1CCN(c2nc[nH+]c(N3CCC(Cc4ccccc4)CC3)c2N)CC1 ZINC000040726144 136120120 /nfs/dbraw/zinc/12/01/20/136120120.db2.gz HVDSXVFZUYQHPD-UHFFFAOYSA-N 2 2 366.513 2.270 10 0 FEAELP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](Cn3cc(-c4ccccn4)nn3)C2)n1C ZINC000095526336 542980690 /nfs/dbraw/zinc/98/06/90/542980690.db2.gz RYSXGISTTDNIHZ-MRXNPFEDSA-N 2 2 351.458 2.294 10 0 FEAELP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](Cn3cc(-c4ccccn4)nn3)C2)n1C ZINC000095526336 542980692 /nfs/dbraw/zinc/98/06/92/542980692.db2.gz RYSXGISTTDNIHZ-MRXNPFEDSA-N 2 2 351.458 2.294 10 0 FEAELP COc1ccccc1OCC[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128724 543205320 /nfs/dbraw/zinc/20/53/20/543205320.db2.gz UVPANPPKYBBWNY-UHFFFAOYSA-N 2 2 358.486 2.367 10 0 FEAELP COc1ccccc1OCC[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128724 543205322 /nfs/dbraw/zinc/20/53/22/543205322.db2.gz UVPANPPKYBBWNY-UHFFFAOYSA-N 2 2 358.486 2.367 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000106212756 543218363 /nfs/dbraw/zinc/21/83/63/543218363.db2.gz KSDPIMQQNJHFKP-QGZVFWFLSA-N 2 2 374.460 2.417 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(F)c2)C1 ZINC000106212756 543218364 /nfs/dbraw/zinc/21/83/64/543218364.db2.gz KSDPIMQQNJHFKP-QGZVFWFLSA-N 2 2 374.460 2.417 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000106215653 543219584 /nfs/dbraw/zinc/21/95/84/543219584.db2.gz XFEYJXQHBOETMF-KRWDZBQOSA-N 2 2 356.470 2.407 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000106215653 543219587 /nfs/dbraw/zinc/21/95/87/543219587.db2.gz XFEYJXQHBOETMF-KRWDZBQOSA-N 2 2 356.470 2.407 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000106217770 543219730 /nfs/dbraw/zinc/21/97/30/543219730.db2.gz KQFZSQBIXPPBAK-QGZVFWFLSA-N 2 2 356.470 2.407 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC)cc2)C1 ZINC000106217770 543219732 /nfs/dbraw/zinc/21/97/32/543219732.db2.gz KQFZSQBIXPPBAK-QGZVFWFLSA-N 2 2 356.470 2.407 10 0 FEAELP Cc1ccc([C@@H](CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)[NH+](C)C)cc1 ZINC000110319288 543355037 /nfs/dbraw/zinc/35/50/37/543355037.db2.gz XURIFCCOHXFFGX-QZTJIDSGSA-N 2 2 355.486 2.461 10 0 FEAELP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111852553 543420562 /nfs/dbraw/zinc/42/05/62/543420562.db2.gz BGFJCSMJVUGCJL-CQSZACIVSA-N 2 2 353.536 2.009 10 0 FEAELP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000111852553 543420564 /nfs/dbraw/zinc/42/05/64/543420564.db2.gz BGFJCSMJVUGCJL-CQSZACIVSA-N 2 2 353.536 2.009 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000114456151 543517036 /nfs/dbraw/zinc/51/70/36/543517036.db2.gz TVNUWYQPKFXBEF-SFHVURJKSA-N 3 2 373.545 2.113 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)[nH+]1 ZINC000114456151 543517037 /nfs/dbraw/zinc/51/70/37/543517037.db2.gz TVNUWYQPKFXBEF-SFHVURJKSA-N 3 2 373.545 2.113 10 0 FEAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124311426 543813727 /nfs/dbraw/zinc/81/37/27/543813727.db2.gz OKOZJQVUYGJKRD-NHCUHLMSSA-N 2 2 367.493 2.307 10 0 FEAELP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccccc1 ZINC000124311426 543813730 /nfs/dbraw/zinc/81/37/30/543813730.db2.gz OKOZJQVUYGJKRD-NHCUHLMSSA-N 2 2 367.493 2.307 10 0 FEAELP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000130840971 544167805 /nfs/dbraw/zinc/16/78/05/544167805.db2.gz WWIXNWAVJKDGPV-KRWDZBQOSA-N 2 2 353.470 2.216 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(OC)ccc2OC)nc[nH+]1 ZINC000109070096 325657640 /nfs/dbraw/zinc/65/76/40/325657640.db2.gz XIYVVOCMYHNDMC-OAHLLOKOSA-N 2 2 357.458 2.294 10 0 FEAELP C[N@H+](CCC(=O)Nc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942230 327109051 /nfs/dbraw/zinc/10/90/51/327109051.db2.gz HIEWLBZICAVOKL-UHFFFAOYSA-N 2 2 373.476 2.447 10 0 FEAELP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942230 327109052 /nfs/dbraw/zinc/10/90/52/327109052.db2.gz HIEWLBZICAVOKL-UHFFFAOYSA-N 2 2 373.476 2.447 10 0 FEAELP C[C@H]1CCCN(c2cc(N3CCC[N@H+](Cc4cnn(C)c4)CC3)nc[nH+]2)C1 ZINC000172278532 327192499 /nfs/dbraw/zinc/19/24/99/327192499.db2.gz HMICBVDBZFSQLA-KRWDZBQOSA-N 2 2 369.517 2.159 10 0 FEAELP C[C@H]1CCCN(c2cc(N3CCC[N@@H+](Cc4cnn(C)c4)CC3)nc[nH+]2)C1 ZINC000172278532 327192500 /nfs/dbraw/zinc/19/25/00/327192500.db2.gz HMICBVDBZFSQLA-KRWDZBQOSA-N 2 2 369.517 2.159 10 0 FEAELP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173779600 327283486 /nfs/dbraw/zinc/28/34/86/327283486.db2.gz MFGPNOHBGDXHKS-HXUWFJFHSA-N 2 2 374.529 2.145 10 0 FEAELP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173860361 327289602 /nfs/dbraw/zinc/28/96/02/327289602.db2.gz FYMAWNCGNLZRDY-ROUUACIJSA-N 2 2 366.550 2.003 10 0 FEAELP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)C1 ZINC000173860361 327289603 /nfs/dbraw/zinc/28/96/03/327289603.db2.gz FYMAWNCGNLZRDY-ROUUACIJSA-N 2 2 366.550 2.003 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000173953139 327297546 /nfs/dbraw/zinc/29/75/46/327297546.db2.gz IXCNVCYEQABRPN-ZWKOTPCHSA-N 2 2 357.502 2.319 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000173953139 327297547 /nfs/dbraw/zinc/29/75/47/327297547.db2.gz IXCNVCYEQABRPN-ZWKOTPCHSA-N 2 2 357.502 2.319 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)nc[nH+]1 ZINC000174285093 327317067 /nfs/dbraw/zinc/31/70/67/327317067.db2.gz DXGAOPXSHJOXGV-ODZFXCKXSA-N 2 2 374.533 2.160 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCc1cn2ccccc2[nH+]1 ZINC000175681189 327406585 /nfs/dbraw/zinc/40/65/85/327406585.db2.gz AVXZTUHILUQTMY-KRWDZBQOSA-N 2 2 352.442 2.256 10 0 FEAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000177697535 546670287 /nfs/dbraw/zinc/67/02/87/546670287.db2.gz PPCGRKBLOHYNNC-INIZCTEOSA-N 2 2 366.421 2.119 10 0 FEAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000177697535 546670290 /nfs/dbraw/zinc/67/02/90/546670290.db2.gz PPCGRKBLOHYNNC-INIZCTEOSA-N 2 2 366.421 2.119 10 0 FEAELP CCCC[N@@H+]1CCOC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184171832 547781130 /nfs/dbraw/zinc/78/11/30/547781130.db2.gz SBSUATSRAPBJDH-FQEVSTJZSA-N 2 2 359.514 2.268 10 0 FEAELP CCCC[N@H+]1CCOC[C@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184171832 547781135 /nfs/dbraw/zinc/78/11/35/547781135.db2.gz SBSUATSRAPBJDH-FQEVSTJZSA-N 2 2 359.514 2.268 10 0 FEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000184320530 547807103 /nfs/dbraw/zinc/80/71/03/547807103.db2.gz YBZCNRZNSYCKLA-LJQANCHMSA-N 2 2 374.460 2.437 10 0 FEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000184320530 547807106 /nfs/dbraw/zinc/80/71/06/547807106.db2.gz YBZCNRZNSYCKLA-LJQANCHMSA-N 2 2 374.460 2.437 10 0 FEAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277977 548610473 /nfs/dbraw/zinc/61/04/73/548610473.db2.gz BKSBBSFGZDUUSI-AZUAARDMSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195277977 548610477 /nfs/dbraw/zinc/61/04/77/548610477.db2.gz BKSBBSFGZDUUSI-AZUAARDMSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195277977 548610481 /nfs/dbraw/zinc/61/04/81/548610481.db2.gz BKSBBSFGZDUUSI-AZUAARDMSA-N 2 2 358.530 2.482 10 0 FEAELP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195277977 548610483 /nfs/dbraw/zinc/61/04/83/548610483.db2.gz BKSBBSFGZDUUSI-AZUAARDMSA-N 2 2 358.530 2.482 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccco2)C1 ZINC000195278033 548610933 /nfs/dbraw/zinc/61/09/33/548610933.db2.gz CCJSIZWDUDHOJW-OALUTQOASA-N 2 2 359.470 2.006 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccco2)C1 ZINC000195278033 548610936 /nfs/dbraw/zinc/61/09/36/548610936.db2.gz CCJSIZWDUDHOJW-OALUTQOASA-N 2 2 359.470 2.006 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccco2)C1 ZINC000195278033 548610941 /nfs/dbraw/zinc/61/09/41/548610941.db2.gz CCJSIZWDUDHOJW-OALUTQOASA-N 2 2 359.470 2.006 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccco2)C1 ZINC000195278033 548610945 /nfs/dbraw/zinc/61/09/45/548610945.db2.gz CCJSIZWDUDHOJW-OALUTQOASA-N 2 2 359.470 2.006 10 0 FEAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000245474072 548931225 /nfs/dbraw/zinc/93/12/25/548931225.db2.gz QNMRGGIHRDHQPR-BRWVUGGUSA-N 2 2 374.533 2.256 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247269283 549310194 /nfs/dbraw/zinc/31/01/94/549310194.db2.gz RBMMXZACLGFXOV-XJKSGUPXSA-N 2 2 354.445 2.351 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)NC[C@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000247269283 549310196 /nfs/dbraw/zinc/31/01/96/549310196.db2.gz RBMMXZACLGFXOV-XJKSGUPXSA-N 2 2 354.445 2.351 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000248661865 549479360 /nfs/dbraw/zinc/47/93/60/549479360.db2.gz XVWFCWFTHDMZKK-WOJBJXKFSA-N 2 2 355.482 2.275 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2)C1 ZINC000248661865 549479364 /nfs/dbraw/zinc/47/93/64/549479364.db2.gz XVWFCWFTHDMZKK-WOJBJXKFSA-N 2 2 355.482 2.275 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000248661865 549479367 /nfs/dbraw/zinc/47/93/67/549479367.db2.gz XVWFCWFTHDMZKK-WOJBJXKFSA-N 2 2 355.482 2.275 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2)C1 ZINC000248661865 549479372 /nfs/dbraw/zinc/47/93/72/549479372.db2.gz XVWFCWFTHDMZKK-WOJBJXKFSA-N 2 2 355.482 2.275 10 0 FEAELP COCCc1noc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261776329 549754019 /nfs/dbraw/zinc/75/40/19/549754019.db2.gz MSMYHDWIMZUDAE-HNNXBMFYSA-N 2 2 362.499 2.464 10 0 FEAELP COCCc1noc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261776329 549754022 /nfs/dbraw/zinc/75/40/22/549754022.db2.gz MSMYHDWIMZUDAE-HNNXBMFYSA-N 2 2 362.499 2.464 10 0 FEAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261826228 549759533 /nfs/dbraw/zinc/75/95/33/549759533.db2.gz SOADLVQZVGTPLE-LESCRADOSA-N 2 2 367.449 2.417 10 0 FEAELP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261826228 549759537 /nfs/dbraw/zinc/75/95/37/549759537.db2.gz SOADLVQZVGTPLE-LESCRADOSA-N 2 2 367.449 2.417 10 0 FEAELP COc1ccc(-n2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)n2)cc1 ZINC000261954449 549773816 /nfs/dbraw/zinc/77/38/16/549773816.db2.gz OUFWNOWWJCAESM-XUVXKRRUSA-N 2 2 356.470 2.128 10 0 FEAELP CC1(C)CO[C@H](c2ccccc2Cl)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262268742 549804512 /nfs/dbraw/zinc/80/45/12/549804512.db2.gz YGDBEZDODCHPJT-KRWDZBQOSA-N 2 2 365.905 2.314 10 0 FEAELP CC1(C)CO[C@H](c2ccccc2Cl)C[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262268742 549804516 /nfs/dbraw/zinc/80/45/16/549804516.db2.gz YGDBEZDODCHPJT-KRWDZBQOSA-N 2 2 365.905 2.314 10 0 FEAELP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC(F)(F)C[NH2+]3)CC2)cc1 ZINC000263010879 549871082 /nfs/dbraw/zinc/87/10/82/549871082.db2.gz PTEOSYIIXGJLRJ-QGZVFWFLSA-N 2 2 367.440 2.021 10 0 FEAELP CCc1c(C)[nH+]c2ccccc2c1N1CC[NH+](CCS(C)(=O)=O)CC1 ZINC000302024340 553698692 /nfs/dbraw/zinc/69/86/92/553698692.db2.gz HBXQBZXRUOTGQY-UHFFFAOYSA-N 2 2 361.511 2.272 10 0 FEAELP C[NH+]1CCC([N@H+](CCO)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000109133113 670837191 /nfs/dbraw/zinc/83/71/91/670837191.db2.gz IOCALLPHVCFOKS-INIZCTEOSA-N 2 2 355.523 2.022 10 0 FEAELP C[NH+]1CCC([N@@H+](CCO)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000109133113 670837199 /nfs/dbraw/zinc/83/71/99/670837199.db2.gz IOCALLPHVCFOKS-INIZCTEOSA-N 2 2 355.523 2.022 10 0 FEAELP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000028398237 539831688 /nfs/dbraw/zinc/83/16/88/539831688.db2.gz GFNIUWMBTBWHOD-SFHVURJKSA-N 2 2 374.529 2.192 10 0 FEAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000051117077 540422862 /nfs/dbraw/zinc/42/28/62/540422862.db2.gz CXXDIDMFBISLTF-RTBURBONSA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000051117077 540422864 /nfs/dbraw/zinc/42/28/64/540422864.db2.gz CXXDIDMFBISLTF-RTBURBONSA-N 2 2 359.514 2.139 10 0 FEAELP C[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111563171 543406914 /nfs/dbraw/zinc/40/69/14/543406914.db2.gz NUQZWLDFQZMSBT-FXAWDEMLSA-N 2 2 374.504 2.033 10 0 FEAELP C[C@@H](C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111563171 543406916 /nfs/dbraw/zinc/40/69/16/543406916.db2.gz NUQZWLDFQZMSBT-FXAWDEMLSA-N 2 2 374.504 2.033 10 0 FEAELP CCC[C@H](C(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000131001792 544173704 /nfs/dbraw/zinc/17/37/04/544173704.db2.gz IEVGZJLBPHWTAV-BZUAXINKSA-N 2 2 353.532 2.356 10 0 FEAELP CCC[C@H](C(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)[NH+](C)C ZINC000131001792 544173705 /nfs/dbraw/zinc/17/37/05/544173705.db2.gz IEVGZJLBPHWTAV-BZUAXINKSA-N 2 2 353.532 2.356 10 0 FEAELP COc1c(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c(C)nn1C ZINC000190469984 328209852 /nfs/dbraw/zinc/20/98/52/328209852.db2.gz NITLVXCKSQPOIW-OAHLLOKOSA-N 2 2 363.531 2.456 10 0 FEAELP COc1c(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)c(C)nn1C ZINC000190469984 328209853 /nfs/dbraw/zinc/20/98/53/328209853.db2.gz NITLVXCKSQPOIW-OAHLLOKOSA-N 2 2 363.531 2.456 10 0 FEAELP COc1c(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)c(C)nn1C ZINC000190469984 328209854 /nfs/dbraw/zinc/20/98/54/328209854.db2.gz NITLVXCKSQPOIW-OAHLLOKOSA-N 2 2 363.531 2.456 10 0 FEAELP COc1c(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)c(C)nn1C ZINC000190469984 328209855 /nfs/dbraw/zinc/20/98/55/328209855.db2.gz NITLVXCKSQPOIW-OAHLLOKOSA-N 2 2 363.531 2.456 10 0 FEAELP CCN(C)c1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cn1 ZINC000190751577 328229966 /nfs/dbraw/zinc/22/99/66/328229966.db2.gz XBJUFRQDLXKKOJ-FQEVSTJZSA-N 2 2 354.498 2.047 10 0 FEAELP CCN(C)c1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000190751577 328229968 /nfs/dbraw/zinc/22/99/68/328229968.db2.gz XBJUFRQDLXKKOJ-FQEVSTJZSA-N 2 2 354.498 2.047 10 0 FEAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccsc1 ZINC000077792923 325016471 /nfs/dbraw/zinc/01/64/71/325016471.db2.gz CEIPSJGAJCFPMF-DOTOQJQBSA-N 2 2 368.547 2.151 10 0 FEAELP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCN(c4cccnn4)C3)CC2)nc1 ZINC000089733389 325329287 /nfs/dbraw/zinc/32/92/87/325329287.db2.gz RPIPLVNGYRYKLN-LJQANCHMSA-N 2 2 352.486 2.095 10 0 FEAELP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237862433 328532120 /nfs/dbraw/zinc/53/21/20/328532120.db2.gz MKAPCBJWFAEPHX-NVXWUHKLSA-N 2 2 365.905 2.381 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000116535532 326021980 /nfs/dbraw/zinc/02/19/80/326021980.db2.gz ODHARMXTRSMULQ-INIZCTEOSA-N 2 2 365.547 2.153 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3csc(C)n3)CC2)C1 ZINC000116535532 326021984 /nfs/dbraw/zinc/02/19/84/326021984.db2.gz ODHARMXTRSMULQ-INIZCTEOSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3csc(C)n3)CC2)C1 ZINC000116535532 326021985 /nfs/dbraw/zinc/02/19/85/326021985.db2.gz ODHARMXTRSMULQ-INIZCTEOSA-N 2 2 365.547 2.153 10 0 FEAELP CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3csc(C)n3)CC2)C1 ZINC000116535532 326021989 /nfs/dbraw/zinc/02/19/89/326021989.db2.gz ODHARMXTRSMULQ-INIZCTEOSA-N 2 2 365.547 2.153 10 0 FEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C1 ZINC000121049708 326309378 /nfs/dbraw/zinc/30/93/78/326309378.db2.gz AXQBHDXFVLXMGW-NRFANRHFSA-N 2 2 371.525 2.189 10 0 FEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C1 ZINC000121049708 326309380 /nfs/dbraw/zinc/30/93/80/326309380.db2.gz AXQBHDXFVLXMGW-NRFANRHFSA-N 2 2 371.525 2.189 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647397 327151359 /nfs/dbraw/zinc/15/13/59/327151359.db2.gz NHVCJWRBSSEBBD-INIZCTEOSA-N 2 2 367.453 2.413 10 0 FEAELP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647397 327151361 /nfs/dbraw/zinc/15/13/61/327151361.db2.gz NHVCJWRBSSEBBD-INIZCTEOSA-N 2 2 367.453 2.413 10 0 FEAELP COc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653455 327152281 /nfs/dbraw/zinc/15/22/81/327152281.db2.gz HMYLTQOQSRMQJL-QGZVFWFLSA-N 2 2 368.481 2.449 10 0 FEAELP COc1ccccc1CNC(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171653455 327152282 /nfs/dbraw/zinc/15/22/82/327152282.db2.gz HMYLTQOQSRMQJL-QGZVFWFLSA-N 2 2 368.481 2.449 10 0 FEAELP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000173509270 327262493 /nfs/dbraw/zinc/26/24/93/327262493.db2.gz KDKPHBKKNHTEEK-HXUWFJFHSA-N 2 2 371.529 2.211 10 0 FEAELP CN(C)c1ccc([NH+]2CCC(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000173509270 327262494 /nfs/dbraw/zinc/26/24/94/327262494.db2.gz KDKPHBKKNHTEEK-HXUWFJFHSA-N 2 2 371.529 2.211 10 0 FEAELP C[NH+](C)c1ccc(N2CCC(NC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000173509270 327262495 /nfs/dbraw/zinc/26/24/95/327262495.db2.gz KDKPHBKKNHTEEK-HXUWFJFHSA-N 2 2 371.529 2.211 10 0 FEAELP C[NH+](C)c1ccc(N2CCC(NC(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000173509270 327262496 /nfs/dbraw/zinc/26/24/96/327262496.db2.gz KDKPHBKKNHTEEK-HXUWFJFHSA-N 2 2 371.529 2.211 10 0 FEAELP COCCC[N@H+](C)CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173578753 327268516 /nfs/dbraw/zinc/26/85/16/327268516.db2.gz AYSCEACKGMOANB-MRXNPFEDSA-N 2 2 359.474 2.201 10 0 FEAELP COCCC[N@@H+](C)CCNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173578753 327268517 /nfs/dbraw/zinc/26/85/17/327268517.db2.gz AYSCEACKGMOANB-MRXNPFEDSA-N 2 2 359.474 2.201 10 0 FEAELP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000177460897 327524105 /nfs/dbraw/zinc/52/41/05/327524105.db2.gz QNMRGGIHRDHQPR-ZACQAIPSSA-N 2 2 374.533 2.256 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1 ZINC000178426293 327584495 /nfs/dbraw/zinc/58/44/95/327584495.db2.gz AALXEXWFFDPRAY-MRXNPFEDSA-N 2 2 368.547 2.071 10 0 FEAELP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000261841249 328823597 /nfs/dbraw/zinc/82/35/97/328823597.db2.gz AIQSDUOPEXKVDN-XUVXKRRUSA-N 3 2 365.562 2.016 10 0 FEAELP CCOc1ccnc(N2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)n1 ZINC000106152703 517739966 /nfs/dbraw/zinc/73/99/66/517739966.db2.gz WJYCACUXKPRMHX-UHFFFAOYSA-N 2 2 364.453 2.383 10 0 FEAELP Cn1cc[nH+]c1CN(Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CC12CC[NH2+]CC2 ZINC000261764455 518195255 /nfs/dbraw/zinc/19/52/55/518195255.db2.gz DGEFNQYUJWTIRO-AWEZNQCLSA-N 2 2 368.407 2.306 10 0 FEAELP CCN(C(=O)NC[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159128230 545924144 /nfs/dbraw/zinc/92/41/44/545924144.db2.gz CMHWQBLEHFPDKW-QUCCMNQESA-N 2 2 374.529 2.013 10 0 FEAELP CCN(C(=O)NC[C@@H](C)[NH+]1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159128230 545924147 /nfs/dbraw/zinc/92/41/47/545924147.db2.gz CMHWQBLEHFPDKW-QUCCMNQESA-N 2 2 374.529 2.013 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000175761044 546345285 /nfs/dbraw/zinc/34/52/85/546345285.db2.gz GPYJXLQAWHOPGQ-QGZVFWFLSA-N 2 2 365.441 2.146 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175840603 546359658 /nfs/dbraw/zinc/35/96/58/546359658.db2.gz ZIMQMTYNGHEDRX-GOSISDBHSA-N 2 2 368.485 2.430 10 0 FEAELP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177685158 546668363 /nfs/dbraw/zinc/66/83/63/546668363.db2.gz YWQMJENJTUZMSL-MRXNPFEDSA-N 2 2 366.421 2.119 10 0 FEAELP O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177685158 546668367 /nfs/dbraw/zinc/66/83/67/546668367.db2.gz YWQMJENJTUZMSL-MRXNPFEDSA-N 2 2 366.421 2.119 10 0 FEAELP C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1[NH+]1CCOCC1 ZINC000177834817 546693718 /nfs/dbraw/zinc/69/37/18/546693718.db2.gz SPNIDRCGCVLXBV-CRAIPNDOSA-N 2 2 369.469 2.272 10 0 FEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000178747910 546843769 /nfs/dbraw/zinc/84/37/69/546843769.db2.gz MCFHUSPTDPUMDJ-INIZCTEOSA-N 2 2 358.442 2.312 10 0 FEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1OC ZINC000178747910 546843774 /nfs/dbraw/zinc/84/37/74/546843774.db2.gz MCFHUSPTDPUMDJ-INIZCTEOSA-N 2 2 358.442 2.312 10 0 FEAELP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000180540558 547126769 /nfs/dbraw/zinc/12/67/69/547126769.db2.gz KMRVDYGNFRBWOB-WOJBJXKFSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000180540558 547126776 /nfs/dbraw/zinc/12/67/76/547126776.db2.gz KMRVDYGNFRBWOB-WOJBJXKFSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000180540558 547126780 /nfs/dbraw/zinc/12/67/80/547126780.db2.gz KMRVDYGNFRBWOB-WOJBJXKFSA-N 2 2 374.529 2.013 10 0 FEAELP CCC[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000180540558 547126784 /nfs/dbraw/zinc/12/67/84/547126784.db2.gz KMRVDYGNFRBWOB-WOJBJXKFSA-N 2 2 374.529 2.013 10 0 FEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000184246156 547794050 /nfs/dbraw/zinc/79/40/50/547794050.db2.gz JQHSMZZNBLGIHH-HXUWFJFHSA-N 2 2 359.514 2.052 10 0 FEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000184246156 547794054 /nfs/dbraw/zinc/79/40/54/547794054.db2.gz JQHSMZZNBLGIHH-HXUWFJFHSA-N 2 2 359.514 2.052 10 0 FEAELP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000184246156 547794058 /nfs/dbraw/zinc/79/40/58/547794058.db2.gz JQHSMZZNBLGIHH-HXUWFJFHSA-N 2 2 359.514 2.052 10 0 FEAELP CCCC[NH+]1CCOC[C@@H]1C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000184246156 547794061 /nfs/dbraw/zinc/79/40/61/547794061.db2.gz JQHSMZZNBLGIHH-HXUWFJFHSA-N 2 2 359.514 2.052 10 0 FEAELP Cc1cc(NC(=O)CC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)no1 ZINC000195281993 548610897 /nfs/dbraw/zinc/61/08/97/548610897.db2.gz QUDGIOCYGLIZMX-KRWDZBQOSA-N 2 2 357.458 2.161 10 0 FEAELP Cc1cc(NC(=O)CC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)no1 ZINC000195281993 548610900 /nfs/dbraw/zinc/61/09/00/548610900.db2.gz QUDGIOCYGLIZMX-KRWDZBQOSA-N 2 2 357.458 2.161 10 0 FEAELP Cc1cc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)no1 ZINC000195281993 548610904 /nfs/dbraw/zinc/61/09/04/548610904.db2.gz QUDGIOCYGLIZMX-KRWDZBQOSA-N 2 2 357.458 2.161 10 0 FEAELP Cc1cc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)no1 ZINC000195281993 548610908 /nfs/dbraw/zinc/61/09/08/548610908.db2.gz QUDGIOCYGLIZMX-KRWDZBQOSA-N 2 2 357.458 2.161 10 0 FEAELP CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195289821 548613654 /nfs/dbraw/zinc/61/36/54/548613654.db2.gz QYXSFAQPLQJTJH-IBGZPJMESA-N 2 2 352.482 2.395 10 0 FEAELP CNC(=O)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195289821 548613660 /nfs/dbraw/zinc/61/36/60/548613660.db2.gz QYXSFAQPLQJTJH-IBGZPJMESA-N 2 2 352.482 2.395 10 0 FEAELP CNC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195289821 548613667 /nfs/dbraw/zinc/61/36/67/548613667.db2.gz QYXSFAQPLQJTJH-IBGZPJMESA-N 2 2 352.482 2.395 10 0 FEAELP CNC(=O)c1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195289821 548613672 /nfs/dbraw/zinc/61/36/72/548613672.db2.gz QYXSFAQPLQJTJH-IBGZPJMESA-N 2 2 352.482 2.395 10 0 FEAELP COC(=O)[C@@H](c1ccccc1F)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000245467446 548928589 /nfs/dbraw/zinc/92/85/89/548928589.db2.gz ZMCJGYOSDCWHIP-RDTXWAMCSA-N 2 2 352.450 2.064 10 0 FEAELP COC(=O)[C@@H](c1ccccc1F)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000245467446 548928593 /nfs/dbraw/zinc/92/85/93/548928593.db2.gz ZMCJGYOSDCWHIP-RDTXWAMCSA-N 2 2 352.450 2.064 10 0 FEAELP C[N@H+](Cc1noc(C[NH3+])n1)CC1(c2ccc(Br)cc2)CC1 ZINC000261746047 549750816 /nfs/dbraw/zinc/75/08/16/549750816.db2.gz NBJPXYNSEUQGEB-UHFFFAOYSA-N 2 2 351.248 2.454 10 0 FEAELP C[N@@H+](Cc1noc(C[NH3+])n1)CC1(c2ccc(Br)cc2)CC1 ZINC000261746047 549750818 /nfs/dbraw/zinc/75/08/18/549750818.db2.gz NBJPXYNSEUQGEB-UHFFFAOYSA-N 2 2 351.248 2.454 10 0 FEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261824168 549759914 /nfs/dbraw/zinc/75/99/14/549759914.db2.gz SOADLVQZVGTPLE-KYJSFNMBSA-N 2 2 367.449 2.417 10 0 FEAELP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261824168 549759917 /nfs/dbraw/zinc/75/99/17/549759917.db2.gz SOADLVQZVGTPLE-KYJSFNMBSA-N 2 2 367.449 2.417 10 0 FEAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000262235453 549801712 /nfs/dbraw/zinc/80/17/12/549801712.db2.gz OJZFHECELDUQAU-APWZRJJASA-N 2 2 359.420 2.255 10 0 FEAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCc2cc(F)cc(F)c2)C[C@H]1c1ccccc1 ZINC000262235453 549801714 /nfs/dbraw/zinc/80/17/14/549801714.db2.gz OJZFHECELDUQAU-APWZRJJASA-N 2 2 359.420 2.255 10 0 FEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000311552021 553755009 /nfs/dbraw/zinc/75/50/09/553755009.db2.gz PVGMYGGEURXZGH-DFQSSKMNSA-N 3 2 353.514 2.486 10 0 FEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000311552021 553755012 /nfs/dbraw/zinc/75/50/12/553755012.db2.gz PVGMYGGEURXZGH-DFQSSKMNSA-N 3 2 353.514 2.486 10 0 FEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000634975998 677086721 /nfs/dbraw/zinc/08/67/21/677086721.db2.gz LWFBFGWYLKCZSL-FUMNGEBKSA-N 2 2 362.539 2.454 10 0 FEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000634975998 677086722 /nfs/dbraw/zinc/08/67/22/677086722.db2.gz LWFBFGWYLKCZSL-FUMNGEBKSA-N 2 2 362.539 2.454 10 0 FEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc4cccnc43)CC2)C1 ZINC000106122215 543203610 /nfs/dbraw/zinc/20/36/10/543203610.db2.gz JFNFHPTYKVJARU-OAQYLSRUSA-N 2 2 368.525 2.462 10 0 FEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc4cccnc43)CC2)C1 ZINC000106122215 543203614 /nfs/dbraw/zinc/20/36/14/543203614.db2.gz JFNFHPTYKVJARU-OAQYLSRUSA-N 2 2 368.525 2.462 10 0 FEAELP COc1ccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc1F ZINC000106123462 543203864 /nfs/dbraw/zinc/20/38/64/543203864.db2.gz LFYJKQTTWUIQSD-SFHVURJKSA-N 2 2 365.493 2.061 10 0 FEAELP COc1ccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)cc1F ZINC000106123462 543203867 /nfs/dbraw/zinc/20/38/67/543203867.db2.gz LFYJKQTTWUIQSD-SFHVURJKSA-N 2 2 365.493 2.061 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000106216040 543219500 /nfs/dbraw/zinc/21/95/00/543219500.db2.gz MVZAQVRZAMOGEN-QGZVFWFLSA-N 2 2 356.470 2.278 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000106216040 543219502 /nfs/dbraw/zinc/21/95/02/543219502.db2.gz MVZAQVRZAMOGEN-QGZVFWFLSA-N 2 2 356.470 2.278 10 0 FEAELP C[N@H+]([C@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000109379025 543323337 /nfs/dbraw/zinc/32/33/37/543323337.db2.gz CLVVOAFJCCSUPE-FQEVSTJZSA-N 2 2 367.497 2.085 10 0 FEAELP C[N@@H+]([C@H]1CCN(c2ccccc2)C1=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000109379025 543323340 /nfs/dbraw/zinc/32/33/40/543323340.db2.gz CLVVOAFJCCSUPE-FQEVSTJZSA-N 2 2 367.497 2.085 10 0 FEAELP C[C@H](NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000109754004 543337176 /nfs/dbraw/zinc/33/71/76/543337176.db2.gz QNMZPUHRGBZPEO-ZJOUEHCJSA-N 2 2 372.557 2.354 10 0 FEAELP C[C@H](NC(=O)[C@H](C)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000109754004 543337177 /nfs/dbraw/zinc/33/71/77/543337177.db2.gz QNMZPUHRGBZPEO-ZJOUEHCJSA-N 2 2 372.557 2.354 10 0 FEAELP CCC[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1CCOC ZINC000128393920 544050127 /nfs/dbraw/zinc/05/01/27/544050127.db2.gz MRHDISGAWUQNCR-WOJBJXKFSA-N 2 2 361.530 2.119 10 0 FEAELP CN(c1ccccc1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000133300592 544264281 /nfs/dbraw/zinc/26/42/81/544264281.db2.gz KAYFWCVFIOEIEZ-OAQYLSRUSA-N 3 2 374.573 2.153 10 0 FEAELP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OCc2nccn2C)cc1 ZINC000151276092 544523883 /nfs/dbraw/zinc/52/38/83/544523883.db2.gz JKJRPNWDVWVLHL-IEBWSBKVSA-N 2 2 372.513 2.497 10 0 FEAELP CCOCCN1CC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000247536112 549352538 /nfs/dbraw/zinc/35/25/38/549352538.db2.gz CMLRGUDZIKRRDX-MOPGFXCFSA-N 2 2 374.529 2.057 10 0 FEAELP CCOCCN1CC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C[C@H]1C ZINC000247536112 549352540 /nfs/dbraw/zinc/35/25/40/549352540.db2.gz CMLRGUDZIKRRDX-MOPGFXCFSA-N 2 2 374.529 2.057 10 0 FEAELP c1cncc(O[C@@H]2CC[NH+](CCC[N@@H+]3CC[C@H](Oc4cccnc4)C3)C2)c1 ZINC000154697207 544939084 /nfs/dbraw/zinc/93/90/84/544939084.db2.gz NZHCTEAXBKLESD-OYRHEFFESA-N 2 2 368.481 2.473 10 0 FEAELP c1cncc(O[C@@H]2CC[NH+](CCC[N@H+]3CC[C@H](Oc4cccnc4)C3)C2)c1 ZINC000154697207 544939088 /nfs/dbraw/zinc/93/90/88/544939088.db2.gz NZHCTEAXBKLESD-OYRHEFFESA-N 2 2 368.481 2.473 10 0 FEAELP c1cncc(O[C@@H]2CC[N@@H+](CCC[NH+]3CC[C@H](Oc4cccnc4)C3)C2)c1 ZINC000154697207 544939093 /nfs/dbraw/zinc/93/90/93/544939093.db2.gz NZHCTEAXBKLESD-OYRHEFFESA-N 2 2 368.481 2.473 10 0 FEAELP c1cncc(O[C@@H]2CC[N@H+](CCC[NH+]3CC[C@H](Oc4cccnc4)C3)C2)c1 ZINC000154697207 544939098 /nfs/dbraw/zinc/93/90/98/544939098.db2.gz NZHCTEAXBKLESD-OYRHEFFESA-N 2 2 368.481 2.473 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CCN(CC(F)(F)F)CC2)nc[nH+]1 ZINC000183216788 327807444 /nfs/dbraw/zinc/80/74/44/327807444.db2.gz FMKQPSWBONFXCN-CQSZACIVSA-N 2 2 372.439 2.103 10 0 FEAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000078545496 325051253 /nfs/dbraw/zinc/05/12/53/325051253.db2.gz PQNMBTKMDGJVPE-MJGOQNOKSA-N 2 2 362.518 2.089 10 0 FEAELP Clc1ccc(C2=NO[C@H](C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000091673519 325389546 /nfs/dbraw/zinc/38/95/46/325389546.db2.gz ADUDCDIPQIRREZ-QAPCUYQASA-N 2 2 363.889 2.487 10 0 FEAELP Clc1ccc(C2=NO[C@H](C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000091673519 325389548 /nfs/dbraw/zinc/38/95/48/325389548.db2.gz ADUDCDIPQIRREZ-QAPCUYQASA-N 2 2 363.889 2.487 10 0 FEAELP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000106459762 325599161 /nfs/dbraw/zinc/59/91/61/325599161.db2.gz NUXKCXJRSOEAME-IBGZPJMESA-N 2 2 363.465 2.365 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OCCOC)cc2)nc[nH+]1 ZINC000107317873 325624248 /nfs/dbraw/zinc/62/42/48/325624248.db2.gz CYYOCPGAWKBDRQ-KRWDZBQOSA-N 2 2 371.485 2.302 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(NC(C)=O)cc2)nc[nH+]1 ZINC000109070418 325657712 /nfs/dbraw/zinc/65/77/12/325657712.db2.gz QHQSTBQEKVMLQY-QGZVFWFLSA-N 2 2 354.458 2.235 10 0 FEAELP COc1cccc([C@H](CNc2cc(N3CCC[C@@H]3CO)[nH+]cn2)[NH+](C)C)c1 ZINC000110113974 325683748 /nfs/dbraw/zinc/68/37/48/325683748.db2.gz ZGUDMXMEPKJKSP-AEFFLSMTSA-N 2 2 371.485 2.161 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)[C@@H](Cc3ccccc3)[NH+](C)C)CC2)s1 ZINC000111622893 325727711 /nfs/dbraw/zinc/72/77/11/325727711.db2.gz ZVJOABRFFDWJPF-LJQANCHMSA-N 2 2 372.538 2.269 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1CC ZINC000117029148 326048362 /nfs/dbraw/zinc/04/83/62/326048362.db2.gz PFGKKTSHPRXAFW-GOSISDBHSA-N 2 2 373.501 2.019 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NCCc2cn3ccccc3[nH+]2)C[C@H]1CC ZINC000117029148 326048365 /nfs/dbraw/zinc/04/83/65/326048365.db2.gz PFGKKTSHPRXAFW-GOSISDBHSA-N 2 2 373.501 2.019 10 0 FEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119055752 326122614 /nfs/dbraw/zinc/12/26/14/326122614.db2.gz RZQVBHVFIUJODI-MRXNPFEDSA-N 2 2 361.490 2.175 10 0 FEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119055752 326122615 /nfs/dbraw/zinc/12/26/15/326122615.db2.gz RZQVBHVFIUJODI-MRXNPFEDSA-N 2 2 361.490 2.175 10 0 FEAELP COc1ccccc1/C=C/C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000121050231 326309566 /nfs/dbraw/zinc/30/95/66/326309566.db2.gz OUJIEBJJEAZLJT-HSTAZWAASA-N 2 2 373.541 2.435 10 0 FEAELP COc1ccccc1/C=C/C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000121050231 326309567 /nfs/dbraw/zinc/30/95/67/326309567.db2.gz OUJIEBJJEAZLJT-HSTAZWAASA-N 2 2 373.541 2.435 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(N3CCCC3)nc2)nc[nH+]1 ZINC000132214621 326588931 /nfs/dbraw/zinc/58/89/31/326588931.db2.gz MJCVUSWDHRKXKR-QGZVFWFLSA-N 2 2 367.501 2.272 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)NC2CCC(C)CC2)nc[nH+]1 ZINC000174285061 327317042 /nfs/dbraw/zinc/31/70/42/327317042.db2.gz DXGAOPXSHJOXGV-MYBQVCMBSA-N 2 2 374.533 2.160 10 0 FEAELP C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1[NH+]1CCOCC1 ZINC000177834797 327547875 /nfs/dbraw/zinc/54/78/75/327547875.db2.gz SPNIDRCGCVLXBV-QAPCUYQASA-N 2 2 369.469 2.272 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000246547899 328626670 /nfs/dbraw/zinc/62/66/70/328626670.db2.gz SVYIJEJFKDQVBO-BZUAXINKSA-N 2 2 351.516 2.097 10 0 FEAELP C[C@@H]1CN(c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)c[nH+]2)C[C@H](C)O1 ZINC000261900582 328828006 /nfs/dbraw/zinc/82/80/06/328828006.db2.gz HQSYQRNQFCIXPB-BVRUVYRISA-N 2 2 360.502 2.264 10 0 FEAELP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000261904715 328828247 /nfs/dbraw/zinc/82/82/47/328828247.db2.gz ICDVXKGYOPCNRH-BHDDXSALSA-N 3 2 357.542 2.440 10 0 FEAELP CN(C[C@H](c1cccs1)[NH+]1CCOCC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000262737644 328885208 /nfs/dbraw/zinc/88/52/08/328885208.db2.gz CGCFKYZWXMRGHE-MDZRGWNJSA-N 2 2 365.543 2.487 10 0 FEAELP C[C@H]1CCCN(c2cc(N3CC[NH+](CC4CCOCC4)CC3)nc[nH+]2)C1 ZINC000172411199 546251646 /nfs/dbraw/zinc/25/16/46/546251646.db2.gz YCMKELPJUFZGJQ-KRWDZBQOSA-N 2 2 359.518 2.262 10 0 FEAELP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000175770749 546347259 /nfs/dbraw/zinc/34/72/59/546347259.db2.gz IRNPVKHPMIOXSQ-UHFFFAOYSA-N 2 2 353.536 2.011 10 0 FEAELP CCC[N@@H+](CC)CCNC(=O)N1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000175770749 546347262 /nfs/dbraw/zinc/34/72/62/546347262.db2.gz IRNPVKHPMIOXSQ-UHFFFAOYSA-N 2 2 353.536 2.011 10 0 FEAELP Cc1ccc2nc(C[N@@H+](C)C3CC[NH+](CCn4cccn4)CC3)cn2c1 ZINC000176917600 546508355 /nfs/dbraw/zinc/50/83/55/546508355.db2.gz CEJBHZWPDSNFCZ-UHFFFAOYSA-N 2 2 352.486 2.436 10 0 FEAELP Cc1ccc2nc(C[N@H+](C)C3CC[NH+](CCn4cccn4)CC3)cn2c1 ZINC000176917600 546508360 /nfs/dbraw/zinc/50/83/60/546508360.db2.gz CEJBHZWPDSNFCZ-UHFFFAOYSA-N 2 2 352.486 2.436 10 0 FEAELP COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178320821 546774873 /nfs/dbraw/zinc/77/48/73/546774873.db2.gz FMLKQDSYRPJJPT-OALUTQOASA-N 2 2 359.470 2.242 10 0 FEAELP COc1cccc(COC[C@@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178320821 546774878 /nfs/dbraw/zinc/77/48/78/546774878.db2.gz FMLKQDSYRPJJPT-OALUTQOASA-N 2 2 359.470 2.242 10 0 FEAELP O=C(C[N@@H+]1CCCC[C@H]1c1cn[nH]c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000178871845 546864548 /nfs/dbraw/zinc/86/45/48/546864548.db2.gz UDWGJHOMINGYFB-SFHVURJKSA-N 2 2 373.526 2.343 10 0 FEAELP O=C(C[N@H+]1CCCC[C@H]1c1cn[nH]c1)N1CC[NH+](Cc2cccs2)CC1 ZINC000178871845 546864554 /nfs/dbraw/zinc/86/45/54/546864554.db2.gz UDWGJHOMINGYFB-SFHVURJKSA-N 2 2 373.526 2.343 10 0 FEAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000246272158 549093912 /nfs/dbraw/zinc/09/39/12/549093912.db2.gz ARTASOPGTDHLEL-QFBILLFUSA-N 2 2 360.502 2.369 10 0 FEAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccccc2C[NH+]2CCOCC2)C1 ZINC000246272158 549093914 /nfs/dbraw/zinc/09/39/14/549093914.db2.gz ARTASOPGTDHLEL-QFBILLFUSA-N 2 2 360.502 2.369 10 0 FEAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000246966542 549253591 /nfs/dbraw/zinc/25/35/91/549253591.db2.gz LPEJHPWXPXWRGT-HLAWJBBLSA-N 2 2 371.525 2.078 10 0 FEAELP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1[NH+]1CCOCC1 ZINC000246966542 549253596 /nfs/dbraw/zinc/25/35/96/549253596.db2.gz LPEJHPWXPXWRGT-HLAWJBBLSA-N 2 2 371.525 2.078 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1CC ZINC000247583581 549362800 /nfs/dbraw/zinc/36/28/00/549362800.db2.gz ZBIRJONUFVHEAE-UXHICEINSA-N 2 2 361.530 2.119 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1CC ZINC000247583581 549362805 /nfs/dbraw/zinc/36/28/05/549362805.db2.gz ZBIRJONUFVHEAE-UXHICEINSA-N 2 2 361.530 2.119 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261699207 549743875 /nfs/dbraw/zinc/74/38/75/549743875.db2.gz JOIJUEWQYQZSLH-AEFFLSMTSA-N 2 2 369.465 2.317 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261699207 549743877 /nfs/dbraw/zinc/74/38/77/549743877.db2.gz JOIJUEWQYQZSLH-AEFFLSMTSA-N 2 2 369.465 2.317 10 0 FEAELP COc1cc(CCC2CC[NH+](Cc3noc(C[NH3+])n3)CC2)cc(OC)c1 ZINC000261771491 549753433 /nfs/dbraw/zinc/75/34/33/549753433.db2.gz OUEKRENNEACIKD-UHFFFAOYSA-N 2 2 360.458 2.390 10 0 FEAELP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000302189221 553709538 /nfs/dbraw/zinc/70/95/38/553709538.db2.gz XRHGUBRRZFBYPL-NZSAHSFTSA-N 2 2 367.497 2.370 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(N2CCC[C@H]2CO)[nH+]cn1 ZINC000302189221 553709540 /nfs/dbraw/zinc/70/95/40/553709540.db2.gz XRHGUBRRZFBYPL-NZSAHSFTSA-N 2 2 367.497 2.370 10 0 FEAELP Cc1cc(N2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000052806842 670318349 /nfs/dbraw/zinc/31/83/49/670318349.db2.gz AMKPWEMIINDEHB-INIZCTEOSA-N 2 2 350.507 2.206 10 0 FEAELP CC(=O)Nc1cc(C[NH2+]CC(C)(C)C)cc(C(=O)N2CC[NH+](C)CC2)c1 ZINC000012056935 539542104 /nfs/dbraw/zinc/54/21/04/539542104.db2.gz FLUCXZOSCQYKGN-UHFFFAOYSA-N 2 2 360.502 2.168 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000049132412 540381615 /nfs/dbraw/zinc/38/16/15/540381615.db2.gz GBCBENPYQHUHBS-PKOBYXMFSA-N 2 2 362.518 2.089 10 0 FEAELP C[C@@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)[NH+]1CCc2sccc2C1 ZINC000105150318 543162482 /nfs/dbraw/zinc/16/24/82/543162482.db2.gz AQZBYDBGMWBQHS-DOTOQJQBSA-N 2 2 362.543 2.374 10 0 FEAELP C[C@@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)[NH+]1CCc2sccc2C1 ZINC000105150318 543162483 /nfs/dbraw/zinc/16/24/83/543162483.db2.gz AQZBYDBGMWBQHS-DOTOQJQBSA-N 2 2 362.543 2.374 10 0 FEAELP C[C@@H](CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000105150318 543162485 /nfs/dbraw/zinc/16/24/85/543162485.db2.gz AQZBYDBGMWBQHS-DOTOQJQBSA-N 2 2 362.543 2.374 10 0 FEAELP C[C@@H](CNC(=O)N1CC[NH+]2CCCC[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000105150318 543162487 /nfs/dbraw/zinc/16/24/87/543162487.db2.gz AQZBYDBGMWBQHS-DOTOQJQBSA-N 2 2 362.543 2.374 10 0 FEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000106910468 543255134 /nfs/dbraw/zinc/25/51/34/543255134.db2.gz MBKAXJDYVJWTHC-GOSISDBHSA-N 2 2 357.523 2.395 10 0 FEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000106910468 543255137 /nfs/dbraw/zinc/25/51/37/543255137.db2.gz MBKAXJDYVJWTHC-GOSISDBHSA-N 2 2 357.523 2.395 10 0 FEAELP C[C@H](CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000153714235 544813045 /nfs/dbraw/zinc/81/30/45/544813045.db2.gz QADZBYGZPGLVSG-NQIIRXRSSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@H](CNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000153714235 544813050 /nfs/dbraw/zinc/81/30/50/544813050.db2.gz QADZBYGZPGLVSG-NQIIRXRSSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@@H](CNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000153714119 544813116 /nfs/dbraw/zinc/81/31/16/544813116.db2.gz QADZBYGZPGLVSG-RXVVDRJESA-N 2 2 374.529 2.061 10 0 FEAELP C[C@@H](CNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000153714119 544813119 /nfs/dbraw/zinc/81/31/19/544813119.db2.gz QADZBYGZPGLVSG-RXVVDRJESA-N 2 2 374.529 2.061 10 0 FEAELP CC(C)c1nc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000190450175 328208501 /nfs/dbraw/zinc/20/85/01/328208501.db2.gz AXVQSIQLZJALFQ-QGZVFWFLSA-N 2 2 369.517 2.414 10 0 FEAELP CC(C)c1nc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000190450175 328208502 /nfs/dbraw/zinc/20/85/02/328208502.db2.gz AXVQSIQLZJALFQ-QGZVFWFLSA-N 2 2 369.517 2.414 10 0 FEAELP CC(C)c1nc(N(C)C)nc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000190450175 328208503 /nfs/dbraw/zinc/20/85/03/328208503.db2.gz AXVQSIQLZJALFQ-QGZVFWFLSA-N 2 2 369.517 2.414 10 0 FEAELP CC(C)c1nc(N(C)C)nc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)[nH+]1 ZINC000190450175 328208504 /nfs/dbraw/zinc/20/85/04/328208504.db2.gz AXVQSIQLZJALFQ-QGZVFWFLSA-N 2 2 369.517 2.414 10 0 FEAELP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000078545506 325050962 /nfs/dbraw/zinc/05/09/62/325050962.db2.gz PQNMBTKMDGJVPE-PKOBYXMFSA-N 2 2 362.518 2.089 10 0 FEAELP COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640671 327150792 /nfs/dbraw/zinc/15/07/92/327150792.db2.gz UFLJIFGWPLKOKW-MOPGFXCFSA-N 2 2 371.481 2.402 10 0 FEAELP COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171640671 327150793 /nfs/dbraw/zinc/15/07/93/327150793.db2.gz UFLJIFGWPLKOKW-MOPGFXCFSA-N 2 2 371.481 2.402 10 0 FEAELP Cc1ccccc1CCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645201 327151174 /nfs/dbraw/zinc/15/11/74/327151174.db2.gz MIAOVUYBOJYXEO-GOSISDBHSA-N 2 2 352.482 2.483 10 0 FEAELP Cc1ccccc1CCNC(=O)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171645201 327151175 /nfs/dbraw/zinc/15/11/75/327151175.db2.gz MIAOVUYBOJYXEO-GOSISDBHSA-N 2 2 352.482 2.483 10 0 FEAELP CC(C)[N@H+]1CCO[C@H](CN2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000174738817 327347256 /nfs/dbraw/zinc/34/72/56/327347256.db2.gz TWZDPXCIBYVEOO-GOSISDBHSA-N 2 2 354.498 2.466 10 0 FEAELP CC(C)N1CCO[C@H](C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000174738817 327347258 /nfs/dbraw/zinc/34/72/58/327347258.db2.gz TWZDPXCIBYVEOO-GOSISDBHSA-N 2 2 354.498 2.466 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000175840583 327417036 /nfs/dbraw/zinc/41/70/36/327417036.db2.gz ZIMQMTYNGHEDRX-SFHVURJKSA-N 2 2 368.485 2.430 10 0 FEAELP CCc1[nH+]c2ccccc2n1CC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000176438619 546446163 /nfs/dbraw/zinc/44/61/63/546446163.db2.gz DDNDMPFQIIQPGW-MRXNPFEDSA-N 2 2 372.513 2.150 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)CC(=O)Nc2ccccc2)nc[nH+]1 ZINC000177308925 546591372 /nfs/dbraw/zinc/59/13/72/546591372.db2.gz XATVCGDLOZYGCR-NVXWUHKLSA-N 2 2 368.485 2.494 10 0 FEAELP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000178291333 546770854 /nfs/dbraw/zinc/77/08/54/546770854.db2.gz GQXFBGYHJCTOCM-HNNXBMFYSA-N 2 2 358.442 2.312 10 0 FEAELP COc1ccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(OC)c1 ZINC000178291333 546770858 /nfs/dbraw/zinc/77/08/58/546770858.db2.gz GQXFBGYHJCTOCM-HNNXBMFYSA-N 2 2 358.442 2.312 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccn(-c3ccccc3)n2)nc[nH+]1 ZINC000180255835 547074199 /nfs/dbraw/zinc/07/41/99/547074199.db2.gz GJTPKEMMPKCVIR-GOSISDBHSA-N 2 2 363.469 2.463 10 0 FEAELP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000180672419 547155888 /nfs/dbraw/zinc/15/58/88/547155888.db2.gz ZISVTTCGWZTMHZ-LSDHHAIUSA-N 2 2 357.458 2.393 10 0 FEAELP CN(C(=O)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195286500 548612365 /nfs/dbraw/zinc/61/23/65/548612365.db2.gz CZKJIGZIQTZMBP-IBGZPJMESA-N 2 2 352.482 2.498 10 0 FEAELP CN(C(=O)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195286500 548612370 /nfs/dbraw/zinc/61/23/70/548612370.db2.gz CZKJIGZIQTZMBP-IBGZPJMESA-N 2 2 352.482 2.498 10 0 FEAELP CN(C(=O)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195286500 548612373 /nfs/dbraw/zinc/61/23/73/548612373.db2.gz CZKJIGZIQTZMBP-IBGZPJMESA-N 2 2 352.482 2.498 10 0 FEAELP CN(C(=O)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195286500 548612378 /nfs/dbraw/zinc/61/23/78/548612378.db2.gz CZKJIGZIQTZMBP-IBGZPJMESA-N 2 2 352.482 2.498 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000195294974 548614575 /nfs/dbraw/zinc/61/45/75/548614575.db2.gz FVCQXPCVNRTGPO-ICSRJNTNSA-N 2 2 373.472 2.414 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000195294974 548614580 /nfs/dbraw/zinc/61/45/80/548614580.db2.gz FVCQXPCVNRTGPO-ICSRJNTNSA-N 2 2 373.472 2.414 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000195294974 548614585 /nfs/dbraw/zinc/61/45/85/548614585.db2.gz FVCQXPCVNRTGPO-ICSRJNTNSA-N 2 2 373.472 2.414 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000195294974 548614589 /nfs/dbraw/zinc/61/45/89/548614589.db2.gz FVCQXPCVNRTGPO-ICSRJNTNSA-N 2 2 373.472 2.414 10 0 FEAELP CCc1csc([C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)C2)n1 ZINC000195382653 548632496 /nfs/dbraw/zinc/63/24/96/548632496.db2.gz NHSXKSWBFHJDEQ-JKSUJKDBSA-N 2 2 364.559 2.438 10 0 FEAELP CCc1csc([C@@H]2CCC[N@H+]([C@@H](C)C(=O)N3CC[NH+](CC)CC3)C2)n1 ZINC000195382653 548632500 /nfs/dbraw/zinc/63/25/00/548632500.db2.gz NHSXKSWBFHJDEQ-JKSUJKDBSA-N 2 2 364.559 2.438 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000245790756 548994362 /nfs/dbraw/zinc/99/43/62/548994362.db2.gz BBVDMMYXYYYBHY-BZSNNMDCSA-N 2 2 361.534 2.199 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000245790756 548994364 /nfs/dbraw/zinc/99/43/64/548994364.db2.gz BBVDMMYXYYYBHY-BZSNNMDCSA-N 2 2 361.534 2.199 10 0 FEAELP CC[N@H+](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@@H](C)C1)C1CC1 ZINC000246225367 549083794 /nfs/dbraw/zinc/08/37/94/549083794.db2.gz DYDFACBFRVKYFA-HOCLYGCPSA-N 2 2 351.516 2.110 10 0 FEAELP CC[N@@H+](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@@H](C)C1)C1CC1 ZINC000246225367 549083795 /nfs/dbraw/zinc/08/37/95/549083795.db2.gz DYDFACBFRVKYFA-HOCLYGCPSA-N 2 2 351.516 2.110 10 0 FEAELP CC[NH+](CC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000246225367 549083798 /nfs/dbraw/zinc/08/37/98/549083798.db2.gz DYDFACBFRVKYFA-HOCLYGCPSA-N 2 2 351.516 2.110 10 0 FEAELP CC[NH+](CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000246225367 549083799 /nfs/dbraw/zinc/08/37/99/549083799.db2.gz DYDFACBFRVKYFA-HOCLYGCPSA-N 2 2 351.516 2.110 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccco2)C1 ZINC000248640980 549474387 /nfs/dbraw/zinc/47/43/87/549474387.db2.gz CCJSIZWDUDHOJW-RTBURBONSA-N 2 2 359.470 2.006 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccco2)C1 ZINC000248640980 549474391 /nfs/dbraw/zinc/47/43/91/549474391.db2.gz CCJSIZWDUDHOJW-RTBURBONSA-N 2 2 359.470 2.006 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000248640980 549474395 /nfs/dbraw/zinc/47/43/95/549474395.db2.gz CCJSIZWDUDHOJW-RTBURBONSA-N 2 2 359.470 2.006 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)COCc2ccco2)C1 ZINC000248640980 549474399 /nfs/dbraw/zinc/47/43/99/549474399.db2.gz CCJSIZWDUDHOJW-RTBURBONSA-N 2 2 359.470 2.006 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000248644879 549475044 /nfs/dbraw/zinc/47/50/44/549475044.db2.gz FVCQXPCVNRTGPO-UYAOXDASSA-N 2 2 373.472 2.414 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000248644879 549475047 /nfs/dbraw/zinc/47/50/47/549475047.db2.gz FVCQXPCVNRTGPO-UYAOXDASSA-N 2 2 373.472 2.414 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000248644879 549475051 /nfs/dbraw/zinc/47/50/51/549475051.db2.gz FVCQXPCVNRTGPO-UYAOXDASSA-N 2 2 373.472 2.414 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000248644879 549475053 /nfs/dbraw/zinc/47/50/53/549475053.db2.gz FVCQXPCVNRTGPO-UYAOXDASSA-N 2 2 373.472 2.414 10 0 FEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000248651345 549477701 /nfs/dbraw/zinc/47/77/01/549477701.db2.gz MVBRSTBTHVCCAN-GGPKGHCWSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000248651345 549477705 /nfs/dbraw/zinc/47/77/05/549477705.db2.gz MVBRSTBTHVCCAN-GGPKGHCWSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000248651345 549477709 /nfs/dbraw/zinc/47/77/09/549477709.db2.gz MVBRSTBTHVCCAN-GGPKGHCWSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000248651345 549477711 /nfs/dbraw/zinc/47/77/11/549477711.db2.gz MVBRSTBTHVCCAN-GGPKGHCWSA-N 2 2 358.530 2.340 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248660396 549478972 /nfs/dbraw/zinc/47/89/72/549478972.db2.gz WBJWVBLPTHMLSW-JKSUJKDBSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248660396 549478973 /nfs/dbraw/zinc/47/89/73/549478973.db2.gz WBJWVBLPTHMLSW-JKSUJKDBSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248660396 549478975 /nfs/dbraw/zinc/47/89/75/549478975.db2.gz WBJWVBLPTHMLSW-JKSUJKDBSA-N 2 2 355.548 2.381 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C1 ZINC000248660396 549478977 /nfs/dbraw/zinc/47/89/77/549478977.db2.gz WBJWVBLPTHMLSW-JKSUJKDBSA-N 2 2 355.548 2.381 10 0 FEAELP C[C@@]([NH3+])(C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000261761043 549752074 /nfs/dbraw/zinc/75/20/74/549752074.db2.gz NLWIURXQSRQPFK-WBVHZDCISA-N 2 2 366.303 2.320 10 0 FEAELP C[C@@]([NH3+])(C(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000261761043 549752077 /nfs/dbraw/zinc/75/20/77/549752077.db2.gz NLWIURXQSRQPFK-WBVHZDCISA-N 2 2 366.303 2.320 10 0 FEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000262930496 549863875 /nfs/dbraw/zinc/86/38/75/549863875.db2.gz HVDGHHJGZJUDQE-KRWDZBQOSA-N 2 2 363.452 2.498 10 0 FEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000262930496 549863876 /nfs/dbraw/zinc/86/38/76/549863876.db2.gz HVDGHHJGZJUDQE-KRWDZBQOSA-N 2 2 363.452 2.498 10 0 FEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1C ZINC000311552028 553754934 /nfs/dbraw/zinc/75/49/34/553754934.db2.gz PVGMYGGEURXZGH-YZGWKJHDSA-N 3 2 353.514 2.486 10 0 FEAELP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1C ZINC000311552028 553754935 /nfs/dbraw/zinc/75/49/35/553754935.db2.gz PVGMYGGEURXZGH-YZGWKJHDSA-N 3 2 353.514 2.486 10 0 FEAELP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000583616601 570809792 /nfs/dbraw/zinc/80/97/92/570809792.db2.gz QFLZONXONXBXCR-MGPUTAFESA-N 2 2 356.518 2.421 10 0 FEAELP CCc1nn(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C2CC2)[C@H]1c1ccnn1C ZINC000583616601 570809796 /nfs/dbraw/zinc/80/97/96/570809796.db2.gz QFLZONXONXBXCR-MGPUTAFESA-N 2 2 356.518 2.421 10 0 FEAELP CCn1cc[nH+]c1CN(C(=O)[C@@H]([NH3+])c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000583621386 570810782 /nfs/dbraw/zinc/81/07/82/570810782.db2.gz AFGHQWUQQGVYRY-HKUYNNGSSA-N 3 2 367.497 2.074 10 0 FEAELP O=C(NCC[NH+]1CCCC1)c1cc(C[N@@H+]2CCc3ccccc3C2)on1 ZINC000011880082 210101746 /nfs/dbraw/zinc/10/17/46/210101746.db2.gz MEBOCFDTRBPNBU-UHFFFAOYSA-N 2 2 354.454 2.059 10 0 FEAELP COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cccn3-c3ncccn3)C2)C1 ZINC000012207742 539549693 /nfs/dbraw/zinc/54/96/93/539549693.db2.gz IMZSKYSZLSPPRS-HXUWFJFHSA-N 2 2 355.486 2.202 10 0 FEAELP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccn3-c3ncccn3)C2)C1 ZINC000012207742 539549699 /nfs/dbraw/zinc/54/96/99/539549699.db2.gz IMZSKYSZLSPPRS-HXUWFJFHSA-N 2 2 355.486 2.202 10 0 FEAELP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccn3-c3ncccn3)C2)C1 ZINC000012207742 539549704 /nfs/dbraw/zinc/54/97/04/539549704.db2.gz IMZSKYSZLSPPRS-HXUWFJFHSA-N 2 2 355.486 2.202 10 0 FEAELP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccn3-c3ncccn3)C2)C1 ZINC000012207742 539549710 /nfs/dbraw/zinc/54/97/10/539549710.db2.gz IMZSKYSZLSPPRS-HXUWFJFHSA-N 2 2 355.486 2.202 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000247373084 549326221 /nfs/dbraw/zinc/32/62/21/549326221.db2.gz PGRXBLFOURCIPM-ZHALLVOQSA-N 2 2 359.518 2.199 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)C1 ZINC000247373084 549326223 /nfs/dbraw/zinc/32/62/23/549326223.db2.gz PGRXBLFOURCIPM-ZHALLVOQSA-N 2 2 359.518 2.199 10 0 FEAELP C[C@H](CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000079598955 542530181 /nfs/dbraw/zinc/53/01/81/542530181.db2.gz BVHAMISLPCTTMX-GOSISDBHSA-N 2 2 366.550 2.005 10 0 FEAELP C[C@H](CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000079598955 542530185 /nfs/dbraw/zinc/53/01/85/542530185.db2.gz BVHAMISLPCTTMX-GOSISDBHSA-N 2 2 366.550 2.005 10 0 FEAELP COc1cc[nH+]c(N2CC[NH+]([C@H](C)C(=O)N[C@H](C)c3ccccc3)CC2)c1 ZINC000104719695 543139368 /nfs/dbraw/zinc/13/93/68/543139368.db2.gz QYGITBZPFNBLLC-IAGOWNOFSA-N 2 2 368.481 2.478 10 0 FEAELP C[C@@H](C1CC1)N(C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC000106128749 543206014 /nfs/dbraw/zinc/20/60/14/543206014.db2.gz CRWHMMAPHISZIO-KRWDZBQOSA-N 2 2 373.545 2.069 10 0 FEAELP C[C@@H](C1CC1)N(C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC000106128749 543206015 /nfs/dbraw/zinc/20/60/15/543206015.db2.gz CRWHMMAPHISZIO-KRWDZBQOSA-N 2 2 373.545 2.069 10 0 FEAELP Cc1cccc(OCC[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000106123749 543203084 /nfs/dbraw/zinc/20/30/84/543203084.db2.gz REENLJMPJMTNBI-NRFANRHFSA-N 2 2 361.530 2.101 10 0 FEAELP Cc1cccc(OCC[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000106123749 543203092 /nfs/dbraw/zinc/20/30/92/543203092.db2.gz REENLJMPJMTNBI-NRFANRHFSA-N 2 2 361.530 2.101 10 0 FEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000106165092 543211185 /nfs/dbraw/zinc/21/11/85/543211185.db2.gz MWGBQVJQCULYMX-SFHVURJKSA-N 2 2 368.481 2.315 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661470 543333564 /nfs/dbraw/zinc/33/35/64/543333564.db2.gz BBVDMMYXYYYBHY-KSZLIROESA-N 2 2 361.534 2.199 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661470 543333568 /nfs/dbraw/zinc/33/35/68/543333568.db2.gz BBVDMMYXYYYBHY-KSZLIROESA-N 2 2 361.534 2.199 10 0 FEAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661470 543333571 /nfs/dbraw/zinc/33/35/71/543333571.db2.gz BBVDMMYXYYYBHY-KSZLIROESA-N 2 2 361.534 2.199 10 0 FEAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661470 543333573 /nfs/dbraw/zinc/33/35/73/543333573.db2.gz BBVDMMYXYYYBHY-KSZLIROESA-N 2 2 361.534 2.199 10 0 FEAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000114706347 543530950 /nfs/dbraw/zinc/53/09/50/543530950.db2.gz MJXMXDPWXMYRLA-GHTZIAJQSA-N 2 2 366.509 2.460 10 0 FEAELP CC(C)[N@H+]1C[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)[C@@H](C)C1 ZINC000132454570 544231679 /nfs/dbraw/zinc/23/16/79/544231679.db2.gz JARCEMBVCPBRHE-RDJZCZTQSA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[N@@H+]1C[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)[C@@H](C)C1 ZINC000132454570 544231681 /nfs/dbraw/zinc/23/16/81/544231681.db2.gz JARCEMBVCPBRHE-RDJZCZTQSA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[NH+]1C[C@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)[C@@H](C)C1 ZINC000132454570 544231683 /nfs/dbraw/zinc/23/16/83/544231683.db2.gz JARCEMBVCPBRHE-RDJZCZTQSA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[NH+]1C[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)[C@@H](C)C1 ZINC000132454570 544231685 /nfs/dbraw/zinc/23/16/85/544231685.db2.gz JARCEMBVCPBRHE-RDJZCZTQSA-N 2 2 365.547 2.089 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000150905458 544484838 /nfs/dbraw/zinc/48/48/38/544484838.db2.gz QUBYSDRMYFMBCT-OAHLLOKOSA-N 2 2 357.458 2.272 10 0 FEAELP COCC[N@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@H]1C ZINC000150905458 544484842 /nfs/dbraw/zinc/48/48/42/544484842.db2.gz QUBYSDRMYFMBCT-OAHLLOKOSA-N 2 2 357.458 2.272 10 0 FEAELP CN(C)C(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)[nH]1 ZINC000190486500 328210738 /nfs/dbraw/zinc/21/07/38/328210738.db2.gz ZIELUKYWBBMTPM-QGZVFWFLSA-N 2 2 355.486 2.065 10 0 FEAELP CN(C)C(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)[nH]1 ZINC000190486500 328210739 /nfs/dbraw/zinc/21/07/39/328210739.db2.gz ZIELUKYWBBMTPM-QGZVFWFLSA-N 2 2 355.486 2.065 10 0 FEAELP CN(C)C(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)[nH]1 ZINC000190486500 328210740 /nfs/dbraw/zinc/21/07/40/328210740.db2.gz ZIELUKYWBBMTPM-QGZVFWFLSA-N 2 2 355.486 2.065 10 0 FEAELP CN(C)C(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)[nH]1 ZINC000190486500 328210741 /nfs/dbraw/zinc/21/07/41/328210741.db2.gz ZIELUKYWBBMTPM-QGZVFWFLSA-N 2 2 355.486 2.065 10 0 FEAELP Cc1c[nH+]ccc1NC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000120504502 326264012 /nfs/dbraw/zinc/26/40/12/326264012.db2.gz MVZXTRNMQJJGTF-UHFFFAOYSA-N 2 2 354.458 2.201 10 0 FEAELP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1 ZINC000121023127 326306845 /nfs/dbraw/zinc/30/68/45/326306845.db2.gz VEOQZXHKCRGYSP-NRFANRHFSA-N 2 2 361.530 2.312 10 0 FEAELP CCOc1cccc(C[NH+]2CCN(C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1 ZINC000121023127 326306849 /nfs/dbraw/zinc/30/68/49/326306849.db2.gz VEOQZXHKCRGYSP-NRFANRHFSA-N 2 2 361.530 2.312 10 0 FEAELP CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942356 327108910 /nfs/dbraw/zinc/10/89/10/327108910.db2.gz DJGYBDWFNWGMGS-HXUWFJFHSA-N 2 2 369.513 2.109 10 0 FEAELP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942356 327108911 /nfs/dbraw/zinc/10/89/11/327108911.db2.gz DJGYBDWFNWGMGS-HXUWFJFHSA-N 2 2 369.513 2.109 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)Nc2ccccc2C)nc[nH+]1 ZINC000174285343 327317047 /nfs/dbraw/zinc/31/70/47/327317047.db2.gz FGUOIVCVEUVDMJ-CVEARBPZSA-N 2 2 368.485 2.412 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)C(=O)Nc2cccc(F)c2)nc[nH+]1 ZINC000174287016 327317437 /nfs/dbraw/zinc/31/74/37/327317437.db2.gz LAUYAWAQYSTRCY-CJNGLKHVSA-N 2 2 372.448 2.243 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000156385380 545624112 /nfs/dbraw/zinc/62/41/12/545624112.db2.gz PKCANPBDSHFPRE-XLIONFOSSA-N 2 2 374.529 2.047 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1 ZINC000156385380 545624115 /nfs/dbraw/zinc/62/41/15/545624115.db2.gz PKCANPBDSHFPRE-XLIONFOSSA-N 2 2 374.529 2.047 10 0 FEAELP CC[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000176352256 546435623 /nfs/dbraw/zinc/43/56/23/546435623.db2.gz PAIQOUFTZIHTDL-QAPCUYQASA-N 2 2 371.485 2.396 10 0 FEAELP CC[C@H]1CN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC[N@H+]1C[C@@H](C)O ZINC000176352256 546435625 /nfs/dbraw/zinc/43/56/25/546435625.db2.gz PAIQOUFTZIHTDL-QAPCUYQASA-N 2 2 371.485 2.396 10 0 FEAELP CNC(=O)Cc1nc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000177590128 546649269 /nfs/dbraw/zinc/64/92/69/546649269.db2.gz MKNZBHMUROTNNS-AWEZNQCLSA-N 2 2 359.499 2.069 10 0 FEAELP CNC(=O)Cc1nc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cs1 ZINC000177590128 546649273 /nfs/dbraw/zinc/64/92/73/546649273.db2.gz MKNZBHMUROTNNS-AWEZNQCLSA-N 2 2 359.499 2.069 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000179543019 546974720 /nfs/dbraw/zinc/97/47/20/546974720.db2.gz QNNNNULQYIWXLC-KRWDZBQOSA-N 2 2 372.517 2.161 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000179543019 546974725 /nfs/dbraw/zinc/97/47/25/546974725.db2.gz QNNNNULQYIWXLC-KRWDZBQOSA-N 2 2 372.517 2.161 10 0 FEAELP CCCn1cc(C[N@@H+]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cn1 ZINC000183547850 547679223 /nfs/dbraw/zinc/67/92/23/547679223.db2.gz SHZNWERNPPTOHI-UHFFFAOYSA-N 2 2 370.501 2.102 10 0 FEAELP CCCn1cc(C[N@H+]2CCCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)cn1 ZINC000183547850 547679226 /nfs/dbraw/zinc/67/92/26/547679226.db2.gz SHZNWERNPPTOHI-UHFFFAOYSA-N 2 2 370.501 2.102 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCCC2)C1 ZINC000195261926 548606831 /nfs/dbraw/zinc/60/68/31/548606831.db2.gz JKXPDNOYLRXKPF-HNNXBMFYSA-N 2 2 350.532 2.264 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NC2CCCC2)C1 ZINC000195261926 548606834 /nfs/dbraw/zinc/60/68/34/548606834.db2.gz JKXPDNOYLRXKPF-HNNXBMFYSA-N 2 2 350.532 2.264 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000195261926 548606837 /nfs/dbraw/zinc/60/68/37/548606837.db2.gz JKXPDNOYLRXKPF-HNNXBMFYSA-N 2 2 350.532 2.264 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000195261926 548606840 /nfs/dbraw/zinc/60/68/40/548606840.db2.gz JKXPDNOYLRXKPF-HNNXBMFYSA-N 2 2 350.532 2.264 10 0 FEAELP Clc1ccc(C2=NO[C@@H](C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000245684591 548974605 /nfs/dbraw/zinc/97/46/05/548974605.db2.gz ADUDCDIPQIRREZ-MAUKXSAKSA-N 2 2 363.889 2.487 10 0 FEAELP Clc1ccc(C2=NO[C@@H](C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)C2)cc1 ZINC000245684591 548974611 /nfs/dbraw/zinc/97/46/11/548974611.db2.gz ADUDCDIPQIRREZ-MAUKXSAKSA-N 2 2 363.889 2.487 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245755384 548989979 /nfs/dbraw/zinc/98/99/79/548989979.db2.gz HLHAYWFFSOQDRA-COXVUDFISA-N 2 2 352.429 2.056 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)C1 ZINC000245755384 548989981 /nfs/dbraw/zinc/98/99/81/548989981.db2.gz HLHAYWFFSOQDRA-COXVUDFISA-N 2 2 352.429 2.056 10 0 FEAELP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000246421316 549129196 /nfs/dbraw/zinc/12/91/96/549129196.db2.gz FZIJJAKYQZSWSU-GJZGRUSLSA-N 2 2 357.458 2.006 10 0 FEAELP C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)C[C@@H]1C ZINC000246421316 549129198 /nfs/dbraw/zinc/12/91/98/549129198.db2.gz FZIJJAKYQZSWSU-GJZGRUSLSA-N 2 2 357.458 2.006 10 0 FEAELP CC[C@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1CCOC ZINC000246994071 549260197 /nfs/dbraw/zinc/26/01/97/549260197.db2.gz GICAFIRVSXCUQW-PXNSSMCTSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@H]1CN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC[N@H+]1CCOC ZINC000246994071 549260205 /nfs/dbraw/zinc/26/02/05/549260205.db2.gz GICAFIRVSXCUQW-PXNSSMCTSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@H]1CN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1CCOC ZINC000246994071 549260209 /nfs/dbraw/zinc/26/02/09/549260209.db2.gz GICAFIRVSXCUQW-PXNSSMCTSA-N 2 2 359.514 2.002 10 0 FEAELP CC[C@H]1CN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC[NH+]1CCOC ZINC000246994071 549260212 /nfs/dbraw/zinc/26/02/12/549260212.db2.gz GICAFIRVSXCUQW-PXNSSMCTSA-N 2 2 359.514 2.002 10 0 FEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000250198570 549639349 /nfs/dbraw/zinc/63/93/49/549639349.db2.gz ACVMDQQBUNCQGV-RBUKOAKNSA-N 2 2 359.539 2.473 10 0 FEAELP O=C([C@@H](c1ccccc1)[NH+]1CCSCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000250198570 549639352 /nfs/dbraw/zinc/63/93/52/549639352.db2.gz ACVMDQQBUNCQGV-RBUKOAKNSA-N 2 2 359.539 2.473 10 0 FEAELP COc1ccc([C@H](C)C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000261842402 549761595 /nfs/dbraw/zinc/76/15/95/549761595.db2.gz WJSCCKYHKUOWMH-OAHLLOKOSA-N 2 2 355.486 2.373 10 0 FEAELP c1cn(CCc2ccccc2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)n1 ZINC000261962988 549774694 /nfs/dbraw/zinc/77/46/94/549774694.db2.gz PUMWIMMYGDNGDI-VAMGGRTRSA-N 2 2 354.498 2.373 10 0 FEAELP CC[N@H+](CC(=O)[O-])C1CC([NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000263528520 549906771 /nfs/dbraw/zinc/90/67/71/549906771.db2.gz VHNVWUJWZHWNLG-YUKKFIBKSA-N 2 2 359.514 2.424 10 0 FEAELP CC[N@@H+](CC(=O)[O-])C1CC([NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000263528520 549906774 /nfs/dbraw/zinc/90/67/74/549906774.db2.gz VHNVWUJWZHWNLG-YUKKFIBKSA-N 2 2 359.514 2.424 10 0 FEAELP CC[NH+](CC(=O)[O-])C1CC([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000263528520 549906777 /nfs/dbraw/zinc/90/67/77/549906777.db2.gz VHNVWUJWZHWNLG-YUKKFIBKSA-N 2 2 359.514 2.424 10 0 FEAELP CC[NH+](CC(=O)[O-])C1CC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000263528520 549906778 /nfs/dbraw/zinc/90/67/78/549906778.db2.gz VHNVWUJWZHWNLG-YUKKFIBKSA-N 2 2 359.514 2.424 10 0 FEAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1C[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000301693797 553672600 /nfs/dbraw/zinc/67/26/00/553672600.db2.gz ZRXWVTBGPLNOOM-IRXDYDNUSA-N 2 2 355.438 2.239 10 0 FEAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000301693797 553672602 /nfs/dbraw/zinc/67/26/02/553672602.db2.gz ZRXWVTBGPLNOOM-IRXDYDNUSA-N 2 2 355.438 2.239 10 0 FEAELP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328644035 553801119 /nfs/dbraw/zinc/80/11/19/553801119.db2.gz RODULMOITJBHLO-HNNXBMFYSA-N 2 2 358.446 2.084 10 0 FEAELP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1nc(C(=O)NC2CC2)no1 ZINC000328644035 553801122 /nfs/dbraw/zinc/80/11/22/553801122.db2.gz RODULMOITJBHLO-HNNXBMFYSA-N 2 2 358.446 2.084 10 0 FEAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067734963 541506442 /nfs/dbraw/zinc/50/64/42/541506442.db2.gz GTNSCJFKHBHHKA-AZUAARDMSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067734963 541506447 /nfs/dbraw/zinc/50/64/47/541506447.db2.gz GTNSCJFKHBHHKA-AZUAARDMSA-N 2 2 374.529 2.061 10 0 FEAELP COC(=O)c1cc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)oc1C ZINC000106130939 543205512 /nfs/dbraw/zinc/20/55/12/543205512.db2.gz LQESMSPLACRLAQ-UHFFFAOYSA-N 2 2 360.458 2.168 10 0 FEAELP COC(=O)c1cc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)oc1C ZINC000106130939 543205516 /nfs/dbraw/zinc/20/55/16/543205516.db2.gz LQESMSPLACRLAQ-UHFFFAOYSA-N 2 2 360.458 2.168 10 0 FEAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3nc4ccccc4o3)CC2)C1 ZINC000106123080 543203130 /nfs/dbraw/zinc/20/31/30/543203130.db2.gz FSXNBSYQVDFCQL-QGZVFWFLSA-N 2 2 358.486 2.055 10 0 FEAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3nc4ccccc4o3)CC2)C1 ZINC000106123080 543203132 /nfs/dbraw/zinc/20/31/32/543203132.db2.gz FSXNBSYQVDFCQL-QGZVFWFLSA-N 2 2 358.486 2.055 10 0 FEAELP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000109284695 543320128 /nfs/dbraw/zinc/32/01/28/543320128.db2.gz VXHSOQYINTZGNW-FQEVSTJZSA-N 2 2 369.513 2.147 10 0 FEAELP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000109284695 543320130 /nfs/dbraw/zinc/32/01/30/543320130.db2.gz VXHSOQYINTZGNW-FQEVSTJZSA-N 2 2 369.513 2.147 10 0 FEAELP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000109284695 543320132 /nfs/dbraw/zinc/32/01/32/543320132.db2.gz VXHSOQYINTZGNW-FQEVSTJZSA-N 2 2 369.513 2.147 10 0 FEAELP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](Cc2cnn(C)c2)CC1)c1ccccc1 ZINC000109284695 543320133 /nfs/dbraw/zinc/32/01/33/543320133.db2.gz VXHSOQYINTZGNW-FQEVSTJZSA-N 2 2 369.513 2.147 10 0 FEAELP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000111882441 543423570 /nfs/dbraw/zinc/42/35/70/543423570.db2.gz GLZAFLUFDPRAJJ-CABCVRRESA-N 2 2 366.456 2.275 10 0 FEAELP C[NH+](C)[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000111882441 543423571 /nfs/dbraw/zinc/42/35/71/543423571.db2.gz GLZAFLUFDPRAJJ-CABCVRRESA-N 2 2 366.456 2.275 10 0 FEAELP CCC[C@@H](C(=O)NC[C@H](c1ccc(C)s1)[NH+]1CCOCC1)[NH+](C)C ZINC000130988081 544172994 /nfs/dbraw/zinc/17/29/94/544172994.db2.gz DUEXVVGADBOZCQ-JKSUJKDBSA-N 2 2 353.532 2.276 10 0 FEAELP Cn1cc[nH+]c1-c1cccc(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000150913049 544485793 /nfs/dbraw/zinc/48/57/93/544485793.db2.gz HZZHVFJGAPEULV-KRWDZBQOSA-N 2 2 357.458 2.055 10 0 FEAELP C[C@@H](CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000153714348 544813000 /nfs/dbraw/zinc/81/30/00/544813000.db2.gz QADZBYGZPGLVSG-GHTZIAJQSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@@H](CNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000153714348 544813005 /nfs/dbraw/zinc/81/30/05/544813005.db2.gz QADZBYGZPGLVSG-GHTZIAJQSA-N 2 2 374.529 2.061 10 0 FEAELP CC1CC[NH+](CC(=O)NC[C@H](c2cccs2)[N@@H+]2CCO[C@H](C)C2)CC1 ZINC000121993361 326379755 /nfs/dbraw/zinc/37/97/55/326379755.db2.gz VTZOGQPKDYDORI-IAGOWNOFSA-N 2 2 365.543 2.358 10 0 FEAELP CC1CC[NH+](CC(=O)NC[C@H](c2cccs2)[N@H+]2CCO[C@H](C)C2)CC1 ZINC000121993361 326379757 /nfs/dbraw/zinc/37/97/57/326379757.db2.gz VTZOGQPKDYDORI-IAGOWNOFSA-N 2 2 365.543 2.358 10 0 FEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000171646254 327151076 /nfs/dbraw/zinc/15/10/76/327151076.db2.gz URJBVBBHMMHUKO-HNNXBMFYSA-N 2 2 370.453 2.430 10 0 FEAELP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C ZINC000171646254 327151078 /nfs/dbraw/zinc/15/10/78/327151078.db2.gz URJBVBBHMMHUKO-HNNXBMFYSA-N 2 2 370.453 2.430 10 0 FEAELP Cn1ncc2c1nc[nH+]c2NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000171986636 327174540 /nfs/dbraw/zinc/17/45/40/327174540.db2.gz MOWKNNZAOAKOOX-GOSISDBHSA-N 2 2 366.469 2.221 10 0 FEAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)nc[nH+]1 ZINC000173436674 327257011 /nfs/dbraw/zinc/25/70/11/327257011.db2.gz SRJKBGBOONKAPJ-LPHOPBHVSA-N 2 2 374.533 2.114 10 0 FEAELP CNc1cc(N2CCC[C@H]2CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[nH+]cn1 ZINC000173436674 327257012 /nfs/dbraw/zinc/25/70/12/327257012.db2.gz SRJKBGBOONKAPJ-LPHOPBHVSA-N 2 2 374.533 2.114 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1C ZINC000173663623 327274700 /nfs/dbraw/zinc/27/47/00/327274700.db2.gz WDVXITVSHWDCQS-HNNXBMFYSA-N 2 2 359.470 2.287 10 0 FEAELP COCC[N@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1C ZINC000173663623 327274701 /nfs/dbraw/zinc/27/47/01/327274701.db2.gz WDVXITVSHWDCQS-HNNXBMFYSA-N 2 2 359.470 2.287 10 0 FEAELP Cc1ccc2[nH+]c(CSCc3nc([C@H]4C[NH2+]CCN4C)no3)cn2c1 ZINC000263209139 328925239 /nfs/dbraw/zinc/92/52/39/328925239.db2.gz KCGOAFXYAFMSLA-CQSZACIVSA-N 2 2 358.471 2.035 10 0 FEAELP O[C@@H](C[NH+]1CCN(Cc2ccc(-n3cc[nH+]c3)nc2)CC1)c1ccccc1 ZINC000177129393 546551095 /nfs/dbraw/zinc/55/10/95/546551095.db2.gz IQNUPKUQQNPUTJ-FQEVSTJZSA-N 2 2 363.465 2.119 10 0 FEAELP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179548088 546975424 /nfs/dbraw/zinc/97/54/24/546975424.db2.gz JJGGPZXPBOCRHI-JLSDUUJJSA-N 2 2 364.440 2.200 10 0 FEAELP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179548088 546975426 /nfs/dbraw/zinc/97/54/26/546975426.db2.gz JJGGPZXPBOCRHI-JLSDUUJJSA-N 2 2 364.440 2.200 10 0 FEAELP C[NH+]1CC[C@H](NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000179548088 546975431 /nfs/dbraw/zinc/97/54/31/546975431.db2.gz JJGGPZXPBOCRHI-JLSDUUJJSA-N 2 2 364.440 2.200 10 0 FEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cs1 ZINC000194580008 548501440 /nfs/dbraw/zinc/50/14/40/548501440.db2.gz UDISGRZUJZAICB-UHFFFAOYSA-N 2 2 362.543 2.360 10 0 FEAELP Cc1nc(C[N@H+]2CCCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cs1 ZINC000194580008 548501444 /nfs/dbraw/zinc/50/14/44/548501444.db2.gz UDISGRZUJZAICB-UHFFFAOYSA-N 2 2 362.543 2.360 10 0 FEAELP Cc1csc(=O)n1CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000195253899 548604136 /nfs/dbraw/zinc/60/41/36/548604136.db2.gz LVYXQXDTKINOMC-HNNXBMFYSA-N 2 2 366.556 2.437 10 0 FEAELP Cc1csc(=O)n1CC[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000195253899 548604137 /nfs/dbraw/zinc/60/41/37/548604137.db2.gz LVYXQXDTKINOMC-HNNXBMFYSA-N 2 2 366.556 2.437 10 0 FEAELP Cc1csc(=O)n1CC[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195253899 548604139 /nfs/dbraw/zinc/60/41/39/548604139.db2.gz LVYXQXDTKINOMC-HNNXBMFYSA-N 2 2 366.556 2.437 10 0 FEAELP Cc1csc(=O)n1CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1 ZINC000195253899 548604141 /nfs/dbraw/zinc/60/41/41/548604141.db2.gz LVYXQXDTKINOMC-HNNXBMFYSA-N 2 2 366.556 2.437 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000195267889 548607576 /nfs/dbraw/zinc/60/75/76/548607576.db2.gz AKWNITMTWLMKNH-HZPDHXFCSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000195267889 548607582 /nfs/dbraw/zinc/60/75/82/548607582.db2.gz AKWNITMTWLMKNH-HZPDHXFCSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000195267889 548607585 /nfs/dbraw/zinc/60/75/85/548607585.db2.gz AKWNITMTWLMKNH-HZPDHXFCSA-N 2 2 350.532 2.215 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292554 548614303 /nfs/dbraw/zinc/61/43/03/548614303.db2.gz RPPCTNXKKVIOCW-IBGZPJMESA-N 2 2 370.472 2.291 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292554 548614308 /nfs/dbraw/zinc/61/43/08/548614308.db2.gz RPPCTNXKKVIOCW-IBGZPJMESA-N 2 2 370.472 2.291 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292554 548614314 /nfs/dbraw/zinc/61/43/14/548614314.db2.gz RPPCTNXKKVIOCW-IBGZPJMESA-N 2 2 370.472 2.291 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(F)cc2)C1 ZINC000195292554 548614317 /nfs/dbraw/zinc/61/43/17/548614317.db2.gz RPPCTNXKKVIOCW-IBGZPJMESA-N 2 2 370.472 2.291 10 0 FEAELP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299286 548616419 /nfs/dbraw/zinc/61/64/19/548616419.db2.gz ACDXKAAGMNSGLV-INIZCTEOSA-N 2 2 369.494 2.105 10 0 FEAELP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299286 548616425 /nfs/dbraw/zinc/61/64/25/548616425.db2.gz ACDXKAAGMNSGLV-INIZCTEOSA-N 2 2 369.494 2.105 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299286 548616430 /nfs/dbraw/zinc/61/64/30/548616430.db2.gz ACDXKAAGMNSGLV-INIZCTEOSA-N 2 2 369.494 2.105 10 0 FEAELP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1 ZINC000195299286 548616435 /nfs/dbraw/zinc/61/64/35/548616435.db2.gz ACDXKAAGMNSGLV-INIZCTEOSA-N 2 2 369.494 2.105 10 0 FEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000195301368 548616990 /nfs/dbraw/zinc/61/69/90/548616990.db2.gz MVBRSTBTHVCCAN-WSTZPKSXSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000195301368 548616993 /nfs/dbraw/zinc/61/69/93/548616993.db2.gz MVBRSTBTHVCCAN-WSTZPKSXSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000195301368 548616997 /nfs/dbraw/zinc/61/69/97/548616997.db2.gz MVBRSTBTHVCCAN-WSTZPKSXSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000195301368 548617000 /nfs/dbraw/zinc/61/70/00/548617000.db2.gz MVBRSTBTHVCCAN-WSTZPKSXSA-N 2 2 358.530 2.340 10 0 FEAELP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000245916504 549018753 /nfs/dbraw/zinc/01/87/53/549018753.db2.gz WQTAPPAFORHRFQ-ULQDDVLXSA-N 2 2 371.485 2.030 10 0 FEAELP C[C@H](O)C[N@H+]1CCN(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@@H]1C ZINC000245916504 549018754 /nfs/dbraw/zinc/01/87/54/549018754.db2.gz WQTAPPAFORHRFQ-ULQDDVLXSA-N 2 2 371.485 2.030 10 0 FEAELP C[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000246053494 549042382 /nfs/dbraw/zinc/04/23/82/549042382.db2.gz DWGATOJKMPOAQB-WMZOPIPTSA-N 2 2 355.486 2.370 10 0 FEAELP C[C@@H](CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000246053494 549042388 /nfs/dbraw/zinc/04/23/88/549042388.db2.gz DWGATOJKMPOAQB-WMZOPIPTSA-N 2 2 355.486 2.370 10 0 FEAELP CC[N@@H+]1CC[C@H](NC(=O)NCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246106430 549053326 /nfs/dbraw/zinc/05/33/26/549053326.db2.gz PEWGEHMHCYSINB-JKSUJKDBSA-N 2 2 356.873 2.475 10 0 FEAELP CC[N@H+]1CC[C@H](NC(=O)NCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000246106430 549053328 /nfs/dbraw/zinc/05/33/28/549053328.db2.gz PEWGEHMHCYSINB-JKSUJKDBSA-N 2 2 356.873 2.475 10 0 FEAELP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000247001013 549261659 /nfs/dbraw/zinc/26/16/59/549261659.db2.gz KRYYFRBQKUJCQF-RTBURBONSA-N 2 2 372.469 2.054 10 0 FEAELP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000247001013 549261661 /nfs/dbraw/zinc/26/16/61/549261661.db2.gz KRYYFRBQKUJCQF-RTBURBONSA-N 2 2 372.469 2.054 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661773 549479475 /nfs/dbraw/zinc/47/94/75/549479475.db2.gz XNRWEPLJBWXZCV-HZPDHXFCSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661773 549479479 /nfs/dbraw/zinc/47/94/79/549479479.db2.gz XNRWEPLJBWXZCV-HZPDHXFCSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661773 549479483 /nfs/dbraw/zinc/47/94/83/549479483.db2.gz XNRWEPLJBWXZCV-HZPDHXFCSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661773 549479484 /nfs/dbraw/zinc/47/94/84/549479484.db2.gz XNRWEPLJBWXZCV-HZPDHXFCSA-N 2 2 352.548 2.461 10 0 FEAELP CCc1csc([C@H]2CCC[N@@H+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)C2)n1 ZINC000249880275 549634167 /nfs/dbraw/zinc/63/41/67/549634167.db2.gz NHSXKSWBFHJDEQ-CVEARBPZSA-N 2 2 364.559 2.438 10 0 FEAELP CCc1csc([C@H]2CCC[N@H+]([C@H](C)C(=O)N3CC[NH+](CC)CC3)C2)n1 ZINC000249880275 549634172 /nfs/dbraw/zinc/63/41/72/549634172.db2.gz NHSXKSWBFHJDEQ-CVEARBPZSA-N 2 2 364.559 2.438 10 0 FEAELP CCn1cc[nH+]c1CN(C(=O)COc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261778232 549754198 /nfs/dbraw/zinc/75/41/98/549754198.db2.gz OXNGECCAJOWVMC-SFHVURJKSA-N 2 2 368.481 2.453 10 0 FEAELP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1(C[NH+]2CCOCC2)CCCCC1 ZINC000261841255 549761607 /nfs/dbraw/zinc/76/16/07/549761607.db2.gz AIQSDUOPEXKVDN-ZCNNSNEGSA-N 3 2 365.562 2.016 10 0 FEAELP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000262695560 549840330 /nfs/dbraw/zinc/84/03/30/549840330.db2.gz BDTWYVVEWCRNFU-OIISXLGYSA-N 2 2 351.441 2.401 10 0 FEAELP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC(F)(F)C[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000262695560 549840332 /nfs/dbraw/zinc/84/03/32/549840332.db2.gz BDTWYVVEWCRNFU-OIISXLGYSA-N 2 2 351.441 2.401 10 0 FEAELP O[C@H](CNc1cc[nH+]c2ccc(Br)cc12)C[NH+]1CCOCC1 ZINC000269410322 550192389 /nfs/dbraw/zinc/19/23/89/550192389.db2.gz YXJFLFXKPADQNP-CYBMUJFWSA-N 2 2 366.259 2.102 10 0 FEAELP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3cnccn23)[C@@H]1c1cnn(C)c1 ZINC000328645642 553801757 /nfs/dbraw/zinc/80/17/57/553801757.db2.gz SEQUKGSNGINBKA-OXJNMPFZSA-N 2 2 367.501 2.368 10 0 FEAELP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cnc3cnccn23)[C@@H]1c1cnn(C)c1 ZINC000328645642 553801759 /nfs/dbraw/zinc/80/17/59/553801759.db2.gz SEQUKGSNGINBKA-OXJNMPFZSA-N 2 2 367.501 2.368 10 0 FEAELP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cnc3cnccn23)[C@@H]1c1cnn(C)c1 ZINC000328645642 553801760 /nfs/dbraw/zinc/80/17/60/553801760.db2.gz SEQUKGSNGINBKA-OXJNMPFZSA-N 2 2 367.501 2.368 10 0 FEAELP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cnc3cnccn23)[C@@H]1c1cnn(C)c1 ZINC000328645642 553801761 /nfs/dbraw/zinc/80/17/61/553801761.db2.gz SEQUKGSNGINBKA-OXJNMPFZSA-N 2 2 367.501 2.368 10 0 FEAELP CCn1cc[nH+]c1CN(Cc1cnc2ncccn12)[C@H]1CC12CC[NH2+]CC2 ZINC000583623211 570809987 /nfs/dbraw/zinc/80/99/87/570809987.db2.gz VJEPRRSSMSZXRP-KRWDZBQOSA-N 2 2 365.485 2.090 10 0 FEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000634975999 677086699 /nfs/dbraw/zinc/08/66/99/677086699.db2.gz LWFBFGWYLKCZSL-IYWMVGAKSA-N 2 2 362.539 2.454 10 0 FEAELP O=S1(=O)CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000634975999 677086700 /nfs/dbraw/zinc/08/67/00/677086700.db2.gz LWFBFGWYLKCZSL-IYWMVGAKSA-N 2 2 362.539 2.454 10 0 FEAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)[NH+]1CCOCC1 ZINC000067045222 541410353 /nfs/dbraw/zinc/41/03/53/541410353.db2.gz HZJAPHZLRDHMAG-QGZVFWFLSA-N 2 2 362.518 2.000 10 0 FEAELP O=C([C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccn3)CC2)C1)N1CCCC1 ZINC000071415780 221345825 /nfs/dbraw/zinc/34/58/25/221345825.db2.gz DWXKKSYBCHENHN-LJQANCHMSA-N 2 2 370.541 2.423 10 0 FEAELP O=C([C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccn3)CC2)C1)N1CCCC1 ZINC000071415780 221345827 /nfs/dbraw/zinc/34/58/27/221345827.db2.gz DWXKKSYBCHENHN-LJQANCHMSA-N 2 2 370.541 2.423 10 0 FEAELP C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129765 543205723 /nfs/dbraw/zinc/20/57/23/543205723.db2.gz BQEBYAWXXRJKLA-SFHVURJKSA-N 2 2 361.534 2.070 10 0 FEAELP C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106129765 543205725 /nfs/dbraw/zinc/20/57/25/543205725.db2.gz BQEBYAWXXRJKLA-SFHVURJKSA-N 2 2 361.534 2.070 10 0 FEAELP Cn1cc[nH+]c1CC1CC[NH+](CC(=O)Nc2nc3c(s2)CCC3)CC1 ZINC000106163462 543211376 /nfs/dbraw/zinc/21/13/76/543211376.db2.gz BECUICCYLNEUMW-UHFFFAOYSA-N 2 2 359.499 2.259 10 0 FEAELP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000131414800 544189452 /nfs/dbraw/zinc/18/94/52/544189452.db2.gz RIKXBFRCORFJHW-QGZVFWFLSA-N 2 2 374.510 2.266 10 0 FEAELP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000131414800 544189453 /nfs/dbraw/zinc/18/94/53/544189453.db2.gz RIKXBFRCORFJHW-QGZVFWFLSA-N 2 2 374.510 2.266 10 0 FEAELP [NH3+][C@H]1CCC[C@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000238035576 328538791 /nfs/dbraw/zinc/53/87/91/328538791.db2.gz MKAPCBJWFAEPHX-RDJZCZTQSA-N 2 2 365.905 2.381 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@H](c4cnn(C)c4)C3)c2cc1C ZINC000116309944 326006071 /nfs/dbraw/zinc/00/60/71/326006071.db2.gz XCXZDEGIIQGXAU-FUHWJXTLSA-N 2 2 353.470 2.237 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@H](c4cnn(C)c4)C3)c2cc1C ZINC000116309944 326006075 /nfs/dbraw/zinc/00/60/75/326006075.db2.gz XCXZDEGIIQGXAU-FUHWJXTLSA-N 2 2 353.470 2.237 10 0 FEAELP COc1cc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(OC)c1 ZINC000171647481 327151202 /nfs/dbraw/zinc/15/12/02/327151202.db2.gz VGBWGCQTEUOTMB-HNNXBMFYSA-N 2 2 370.453 2.471 10 0 FEAELP COc1cc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(OC)c1 ZINC000171647481 327151203 /nfs/dbraw/zinc/15/12/03/327151203.db2.gz VGBWGCQTEUOTMB-HNNXBMFYSA-N 2 2 370.453 2.471 10 0 FEAELP COc1cccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171651445 327151714 /nfs/dbraw/zinc/15/17/14/327151714.db2.gz QIWZAISLXSFOPZ-GOSISDBHSA-N 2 2 368.481 2.449 10 0 FEAELP COc1cccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000171651445 327151715 /nfs/dbraw/zinc/15/17/15/327151715.db2.gz QIWZAISLXSFOPZ-GOSISDBHSA-N 2 2 368.481 2.449 10 0 FEAELP COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000171647831 327151784 /nfs/dbraw/zinc/15/17/84/327151784.db2.gz MRPSMOHPCSICIU-HNNXBMFYSA-N 2 2 370.453 2.471 10 0 FEAELP COc1ccc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1OC ZINC000171647831 327151785 /nfs/dbraw/zinc/15/17/85/327151785.db2.gz MRPSMOHPCSICIU-HNNXBMFYSA-N 2 2 370.453 2.471 10 0 FEAELP CC1CCN(c2ccc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)c[nH+]2)CC1 ZINC000171900427 327168819 /nfs/dbraw/zinc/16/88/19/327168819.db2.gz HDZCVPXXEPFRCP-SFHVURJKSA-N 2 2 357.502 2.308 10 0 FEAELP CC1CCN(c2ccc(CNC(=O)N3CC[N@H+]4CCC[C@H]4C3)c[nH+]2)CC1 ZINC000171900427 327168821 /nfs/dbraw/zinc/16/88/21/327168821.db2.gz HDZCVPXXEPFRCP-SFHVURJKSA-N 2 2 357.502 2.308 10 0 FEAELP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H]1[NH+]1CCOCC1 ZINC000173961756 327298262 /nfs/dbraw/zinc/29/82/62/327298262.db2.gz SPSIBDQFGYZCMV-FXAWDEMLSA-N 2 2 357.498 2.075 10 0 FEAELP CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000176352142 327450616 /nfs/dbraw/zinc/45/06/16/327450616.db2.gz NTADXWXKALXPHX-QGZVFWFLSA-N 2 2 357.458 2.008 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)s1 ZINC000262615308 328876474 /nfs/dbraw/zinc/87/64/74/328876474.db2.gz BLEQMFRLOUOOGR-UHFFFAOYSA-N 2 2 350.532 2.395 10 0 FEAELP CC[N@@H+]1CCC[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000175707439 546337685 /nfs/dbraw/zinc/33/76/85/546337685.db2.gz HZXICFYMDFDJTM-SFHVURJKSA-N 2 2 355.486 2.409 10 0 FEAELP CC[N@H+]1CCC[C@H](NC(=O)NCc2[nH+]ccn2CCc2ccccc2)C1 ZINC000175707439 546337687 /nfs/dbraw/zinc/33/76/87/546337687.db2.gz HZXICFYMDFDJTM-SFHVURJKSA-N 2 2 355.486 2.409 10 0 FEAELP C[NH+](C)[C@@H]1CCN(C(=O)NCc2[nH+]ccn2CCCc2ccccc2)C1 ZINC000175926960 546373758 /nfs/dbraw/zinc/37/37/58/546373758.db2.gz GFKBWLVPMFKYDY-GOSISDBHSA-N 2 2 355.486 2.361 10 0 FEAELP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177445584 546620065 /nfs/dbraw/zinc/62/00/65/546620065.db2.gz YGIYCNLAEBOESP-QGZVFWFLSA-N 2 2 350.426 2.443 10 0 FEAELP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(Cl)c1 ZINC000181865081 547394758 /nfs/dbraw/zinc/39/47/58/547394758.db2.gz STMXLYLUPQJGOW-AWEZNQCLSA-N 2 2 353.894 2.218 10 0 FEAELP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(c2ccn[nH]2)CC1)c1ccccc1 ZINC000184960416 547906978 /nfs/dbraw/zinc/90/69/78/547906978.db2.gz DHBXUNKLKLXMRY-IBGZPJMESA-N 2 2 355.486 2.008 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCCC2)C1 ZINC000195261939 548606329 /nfs/dbraw/zinc/60/63/29/548606329.db2.gz JKXPDNOYLRXKPF-OAHLLOKOSA-N 2 2 350.532 2.264 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NC2CCCC2)C1 ZINC000195261939 548606331 /nfs/dbraw/zinc/60/63/31/548606331.db2.gz JKXPDNOYLRXKPF-OAHLLOKOSA-N 2 2 350.532 2.264 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NC2CCCC2)C1 ZINC000195261939 548606333 /nfs/dbraw/zinc/60/63/33/548606333.db2.gz JKXPDNOYLRXKPF-OAHLLOKOSA-N 2 2 350.532 2.264 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NC2CCCC2)C1 ZINC000195261939 548606339 /nfs/dbraw/zinc/60/63/39/548606339.db2.gz JKXPDNOYLRXKPF-OAHLLOKOSA-N 2 2 350.532 2.264 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000195267874 548608084 /nfs/dbraw/zinc/60/80/84/548608084.db2.gz AKWNITMTWLMKNH-JKSUJKDBSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000195267874 548608088 /nfs/dbraw/zinc/60/80/88/548608088.db2.gz AKWNITMTWLMKNH-JKSUJKDBSA-N 2 2 350.532 2.215 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000195267874 548608092 /nfs/dbraw/zinc/60/80/92/548608092.db2.gz AKWNITMTWLMKNH-JKSUJKDBSA-N 2 2 350.532 2.215 10 0 FEAELP C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245680788 548974313 /nfs/dbraw/zinc/97/43/13/548974313.db2.gz HJPYKAZCDKNTCX-OQIJWPOYSA-N 2 2 351.535 2.350 10 0 FEAELP C[C@@H]1CC[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245680788 548974315 /nfs/dbraw/zinc/97/43/15/548974315.db2.gz HJPYKAZCDKNTCX-OQIJWPOYSA-N 2 2 351.535 2.350 10 0 FEAELP C[C@H](NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000245814348 548998880 /nfs/dbraw/zinc/99/88/80/548998880.db2.gz QNMZPUHRGBZPEO-IRFCIJBXSA-N 2 2 372.557 2.354 10 0 FEAELP C[C@H](NC(=O)[C@H](C)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000245814348 548998884 /nfs/dbraw/zinc/99/88/84/548998884.db2.gz QNMZPUHRGBZPEO-IRFCIJBXSA-N 2 2 372.557 2.354 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000245976105 549030402 /nfs/dbraw/zinc/03/04/02/549030402.db2.gz AAJOEPJQBOOWOV-IRXDYDNUSA-N 2 2 373.501 2.317 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000245976105 549030408 /nfs/dbraw/zinc/03/04/08/549030408.db2.gz AAJOEPJQBOOWOV-IRXDYDNUSA-N 2 2 373.501 2.317 10 0 FEAELP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246509188 549149615 /nfs/dbraw/zinc/14/96/15/549149615.db2.gz UPTIYLNEASQJSA-XLIONFOSSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000246509188 549149618 /nfs/dbraw/zinc/14/96/18/549149618.db2.gz UPTIYLNEASQJSA-XLIONFOSSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000246509188 549149621 /nfs/dbraw/zinc/14/96/21/549149621.db2.gz UPTIYLNEASQJSA-XLIONFOSSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000246509188 549149625 /nfs/dbraw/zinc/14/96/25/549149625.db2.gz UPTIYLNEASQJSA-XLIONFOSSA-N 2 2 374.529 2.191 10 0 FEAELP CC(C)[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@@H](C)C1 ZINC000246721768 549196545 /nfs/dbraw/zinc/19/65/45/549196545.db2.gz GELOIEIDKLAZPF-JKSUJKDBSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@@H](C)C1 ZINC000246721768 549196549 /nfs/dbraw/zinc/19/65/49/549196549.db2.gz GELOIEIDKLAZPF-JKSUJKDBSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[NH+](C)CCNC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000246721768 549196555 /nfs/dbraw/zinc/19/65/55/549196555.db2.gz GELOIEIDKLAZPF-JKSUJKDBSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[NH+](C)CCNC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000246721768 549196559 /nfs/dbraw/zinc/19/65/59/549196559.db2.gz GELOIEIDKLAZPF-JKSUJKDBSA-N 2 2 368.547 2.149 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)c2cc1C ZINC000247573656 549359856 /nfs/dbraw/zinc/35/98/56/549359856.db2.gz XCXZDEGIIQGXAU-AEFFLSMTSA-N 2 2 353.470 2.237 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@H](c4cnn(C)c4)C3)c2cc1C ZINC000247573656 549359860 /nfs/dbraw/zinc/35/98/60/549359860.db2.gz XCXZDEGIIQGXAU-AEFFLSMTSA-N 2 2 353.470 2.237 10 0 FEAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604852 549733782 /nfs/dbraw/zinc/73/37/82/549733782.db2.gz AZMCJPBNFARGTA-AYWYSENESA-N 2 2 373.541 2.372 10 0 FEAELP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604852 549733785 /nfs/dbraw/zinc/73/37/85/549733785.db2.gz AZMCJPBNFARGTA-AYWYSENESA-N 2 2 373.541 2.372 10 0 FEAELP O[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)C[N@@H+]1CCc2ccccc2C1 ZINC000301519558 553657506 /nfs/dbraw/zinc/65/75/06/553657506.db2.gz KWLUVXHUZQQROQ-IBGZPJMESA-N 2 2 367.497 2.298 10 0 FEAELP O[C@@H](CNc1cc(N2CCCCC2)[nH+]cn1)C[N@H+]1CCc2ccccc2C1 ZINC000301519558 553657507 /nfs/dbraw/zinc/65/75/07/553657507.db2.gz KWLUVXHUZQQROQ-IBGZPJMESA-N 2 2 367.497 2.298 10 0 FEAELP O[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000301519558 553657508 /nfs/dbraw/zinc/65/75/08/553657508.db2.gz KWLUVXHUZQQROQ-IBGZPJMESA-N 2 2 367.497 2.298 10 0 FEAELP O[C@@H](CNc1cc(N2CCCCC2)nc[nH+]1)C[N@H+]1CCc2ccccc2C1 ZINC000301519558 553657509 /nfs/dbraw/zinc/65/75/09/553657509.db2.gz KWLUVXHUZQQROQ-IBGZPJMESA-N 2 2 367.497 2.298 10 0 FEAELP Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1F ZINC000181347795 672425603 /nfs/dbraw/zinc/42/56/03/672425603.db2.gz GXKSMCKILNJTQA-HNNXBMFYSA-N 2 2 351.466 2.012 10 0 FEAELP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248635576 672859202 /nfs/dbraw/zinc/85/92/02/672859202.db2.gz ULBCYNKDSPFJKR-IKGGRYGDSA-N 2 2 355.523 2.475 10 0 FEAELP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C[C@H]2COCCN2C(=O)OC(C)(C)C)C1 ZINC000248635576 672859205 /nfs/dbraw/zinc/85/92/05/672859205.db2.gz ULBCYNKDSPFJKR-IKGGRYGDSA-N 2 2 355.523 2.475 10 0 FEAELP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000051117278 540422805 /nfs/dbraw/zinc/42/28/05/540422805.db2.gz AZQPOEOLBGSBGG-QZTJIDSGSA-N 2 2 359.514 2.185 10 0 FEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCOc4ccccc43)CC2)CC1 ZINC000051759628 540443256 /nfs/dbraw/zinc/44/32/56/540443256.db2.gz LFIVQWFAFDOEQJ-LJQANCHMSA-N 2 2 372.513 2.368 10 0 FEAELP Nc1c(N2CC[NH+](Cc3ccccc3)CC2)nc[nH+]c1N1CCCCC1 ZINC000040724637 136119993 /nfs/dbraw/zinc/11/99/93/136119993.db2.gz PZZSSWMTMLKWFT-UHFFFAOYSA-N 2 2 352.486 2.371 10 0 FEAELP CCCC(=O)N[C@@H]1CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000101563241 543033165 /nfs/dbraw/zinc/03/31/65/543033165.db2.gz YENKCSGOZAWFRR-MSOLQXFVSA-N 2 2 372.513 2.395 10 0 FEAELP CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000101563241 543033168 /nfs/dbraw/zinc/03/31/68/543033168.db2.gz YENKCSGOZAWFRR-MSOLQXFVSA-N 2 2 372.513 2.395 10 0 FEAELP Cc1ccc(NC(=O)C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130671 543205995 /nfs/dbraw/zinc/20/59/95/543205995.db2.gz NCBXORDELOESOF-UHFFFAOYSA-N 2 2 355.486 2.226 10 0 FEAELP Cc1ccc(NC(=O)C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1 ZINC000106130671 543205996 /nfs/dbraw/zinc/20/59/96/543205996.db2.gz NCBXORDELOESOF-UHFFFAOYSA-N 2 2 355.486 2.226 10 0 FEAELP C[N@H+](CCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)Cc1ccccc1 ZINC000110120326 543349499 /nfs/dbraw/zinc/34/94/99/543349499.db2.gz IVOVGXAPFARPOS-GOSISDBHSA-N 2 2 355.486 2.372 10 0 FEAELP C[N@@H+](CCCNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)Cc1ccccc1 ZINC000110120326 543349500 /nfs/dbraw/zinc/34/95/00/543349500.db2.gz IVOVGXAPFARPOS-GOSISDBHSA-N 2 2 355.486 2.372 10 0 FEAELP C[N@H+](CCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)Cc1ccccc1 ZINC000110120326 543349501 /nfs/dbraw/zinc/34/95/01/543349501.db2.gz IVOVGXAPFARPOS-GOSISDBHSA-N 2 2 355.486 2.372 10 0 FEAELP C[N@@H+](CCCNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)Cc1ccccc1 ZINC000110120326 543349502 /nfs/dbraw/zinc/34/95/02/543349502.db2.gz IVOVGXAPFARPOS-GOSISDBHSA-N 2 2 355.486 2.372 10 0 FEAELP Cc1ncc(C[NH+]2CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC2)s1 ZINC000111826817 543418217 /nfs/dbraw/zinc/41/82/17/543418217.db2.gz JAXHQSIAPIVKNF-MRXNPFEDSA-N 2 2 367.563 2.255 10 0 FEAELP Cc1nc(C[N@@H+]2CCOCC3(CC[NH+]([C@H]4CCOC4)CC3)C2)cs1 ZINC000096078210 222013489 /nfs/dbraw/zinc/01/34/89/222013489.db2.gz ZEGIVVIVKWLGIH-KRWDZBQOSA-N 2 2 351.516 2.155 10 0 FEAELP Cc1nc(C[N@H+]2CCOCC3(CC[NH+]([C@H]4CCOC4)CC3)C2)cs1 ZINC000096078210 222013492 /nfs/dbraw/zinc/01/34/92/222013492.db2.gz ZEGIVVIVKWLGIH-KRWDZBQOSA-N 2 2 351.516 2.155 10 0 FEAELP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc([S@](C)=O)cc1 ZINC000151793674 544580165 /nfs/dbraw/zinc/58/01/65/544580165.db2.gz CYHLBFXAFKKYIF-SKNUGPPASA-N 2 2 372.534 2.494 10 0 FEAELP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc([S@](C)=O)cc1 ZINC000151793674 544580168 /nfs/dbraw/zinc/58/01/68/544580168.db2.gz CYHLBFXAFKKYIF-SKNUGPPASA-N 2 2 372.534 2.494 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc3c2OCCO3)nc[nH+]1 ZINC000237101151 328504705 /nfs/dbraw/zinc/50/47/05/328504705.db2.gz SHMZTSOGFDMWDD-OAHLLOKOSA-N 2 2 355.442 2.048 10 0 FEAELP c1cnnc(N2CCC[C@@H]([NH2+]C3CC[NH+](Cc4ccncc4)CC3)C2)c1 ZINC000089733282 325329077 /nfs/dbraw/zinc/32/90/77/325329077.db2.gz YGPOQARMIFBUDG-LJQANCHMSA-N 2 2 352.486 2.095 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1CC ZINC000117024795 326047751 /nfs/dbraw/zinc/04/77/51/326047751.db2.gz AIIKLLFZBCSNKX-IRXDYDNUSA-N 2 2 366.506 2.025 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)C[C@@H]1CC ZINC000117024795 326047754 /nfs/dbraw/zinc/04/77/54/326047754.db2.gz AIIKLLFZBCSNKX-IRXDYDNUSA-N 2 2 366.506 2.025 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000117470997 326061665 /nfs/dbraw/zinc/06/16/65/326061665.db2.gz QNHNJXWHMOCJDA-MRXNPFEDSA-N 2 2 373.501 2.097 10 0 FEAELP COCC[N@H+]1CCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C[C@H]1C ZINC000117470997 326061669 /nfs/dbraw/zinc/06/16/69/326061669.db2.gz QNHNJXWHMOCJDA-MRXNPFEDSA-N 2 2 373.501 2.097 10 0 FEAELP COCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641810 327150848 /nfs/dbraw/zinc/15/08/48/327150848.db2.gz JLXHKBLCGCJDHI-IBGZPJMESA-N 2 2 368.481 2.278 10 0 FEAELP COCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171641810 327150849 /nfs/dbraw/zinc/15/08/49/327150849.db2.gz JLXHKBLCGCJDHI-IBGZPJMESA-N 2 2 368.481 2.278 10 0 FEAELP COc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645053 327151121 /nfs/dbraw/zinc/15/11/21/327151121.db2.gz CLPAJANMGCOTKW-KRWDZBQOSA-N 2 2 354.454 2.140 10 0 FEAELP COc1cccc(CNC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171645053 327151122 /nfs/dbraw/zinc/15/11/22/327151122.db2.gz CLPAJANMGCOTKW-KRWDZBQOSA-N 2 2 354.454 2.140 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCCOc3ccccc3)C2)[nH+]1 ZINC000171651890 327152112 /nfs/dbraw/zinc/15/21/12/327152112.db2.gz KUYVFWFABHNNJV-SFHVURJKSA-N 2 2 368.481 2.319 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCCOc3ccccc3)C2)[nH+]1 ZINC000171651890 327152113 /nfs/dbraw/zinc/15/21/13/327152113.db2.gz KUYVFWFABHNNJV-SFHVURJKSA-N 2 2 368.481 2.319 10 0 FEAELP COCC[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000174360160 327322102 /nfs/dbraw/zinc/32/21/02/327322102.db2.gz PMGMGLNBVHAGDT-INIZCTEOSA-N 2 2 371.485 2.343 10 0 FEAELP Cc1cc(Br)cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c1OC(F)F ZINC000262176476 328848319 /nfs/dbraw/zinc/84/83/19/328848319.db2.gz WAXZFKQIXHQKEX-JQWIXIFHSA-N 2 2 365.218 2.029 10 0 FEAELP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1csc(-c2cccc(Br)c2)n1 ZINC000263280383 328930083 /nfs/dbraw/zinc/93/00/83/328930083.db2.gz UEJJLXJGQALNPW-BXUZGUMPSA-N 2 2 368.300 2.243 10 0 FEAELP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177464809 546624333 /nfs/dbraw/zinc/62/43/33/546624333.db2.gz QBYMUKLCMHFABL-GOSISDBHSA-N 2 2 371.485 2.198 10 0 FEAELP CC(C)[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@H](C)C1 ZINC000178635350 546824964 /nfs/dbraw/zinc/82/49/64/546824964.db2.gz GELOIEIDKLAZPF-CVEARBPZSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@H](C)C1 ZINC000178635350 546824967 /nfs/dbraw/zinc/82/49/67/546824967.db2.gz GELOIEIDKLAZPF-CVEARBPZSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[NH+](C)CCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1 ZINC000178635350 546824972 /nfs/dbraw/zinc/82/49/72/546824972.db2.gz GELOIEIDKLAZPF-CVEARBPZSA-N 2 2 368.547 2.149 10 0 FEAELP CC(C)[NH+](C)CCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1 ZINC000178635350 546824976 /nfs/dbraw/zinc/82/49/76/546824976.db2.gz GELOIEIDKLAZPF-CVEARBPZSA-N 2 2 368.547 2.149 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000195250585 548603929 /nfs/dbraw/zinc/60/39/29/548603929.db2.gz OWZAOOFHJHLVLT-KRWDZBQOSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000195250585 548603932 /nfs/dbraw/zinc/60/39/32/548603932.db2.gz OWZAOOFHJHLVLT-KRWDZBQOSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC(C)CC2)C1 ZINC000195250585 548603937 /nfs/dbraw/zinc/60/39/37/548603937.db2.gz OWZAOOFHJHLVLT-KRWDZBQOSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC(C)CC2)C1 ZINC000195250585 548603942 /nfs/dbraw/zinc/60/39/42/548603942.db2.gz OWZAOOFHJHLVLT-KRWDZBQOSA-N 2 2 364.559 2.464 10 0 FEAELP COC(=O)[C@@H](c1ccccc1F)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245467443 548928628 /nfs/dbraw/zinc/92/86/28/548928628.db2.gz ZMCJGYOSDCWHIP-KBXCAEBGSA-N 2 2 352.450 2.064 10 0 FEAELP COC(=O)[C@@H](c1ccccc1F)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245467443 548928633 /nfs/dbraw/zinc/92/86/33/548928633.db2.gz ZMCJGYOSDCWHIP-KBXCAEBGSA-N 2 2 352.450 2.064 10 0 FEAELP COC(=O)c1cccc([C@H](C(=O)OC)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000245745335 548987313 /nfs/dbraw/zinc/98/73/13/548987313.db2.gz COOZGIDTXFGOHL-ZWKOTPCHSA-N 2 2 371.437 2.357 10 0 FEAELP COC(=O)c1cccc([C@H](C(=O)OC)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000245745335 548987317 /nfs/dbraw/zinc/98/73/17/548987317.db2.gz COOZGIDTXFGOHL-ZWKOTPCHSA-N 2 2 371.437 2.357 10 0 FEAELP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000246130680 549059911 /nfs/dbraw/zinc/05/99/11/549059911.db2.gz IXCNVCYEQABRPN-ROUUACIJSA-N 2 2 357.502 2.319 10 0 FEAELP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000246130680 549059913 /nfs/dbraw/zinc/05/99/13/549059913.db2.gz IXCNVCYEQABRPN-ROUUACIJSA-N 2 2 357.502 2.319 10 0 FEAELP C[C@H](C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000246804735 549216409 /nfs/dbraw/zinc/21/64/09/549216409.db2.gz ZCBPCIULDNUTTR-HLIPFELVSA-N 2 2 374.504 2.031 10 0 FEAELP C[C@H](C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000246804735 549216412 /nfs/dbraw/zinc/21/64/12/549216412.db2.gz ZCBPCIULDNUTTR-HLIPFELVSA-N 2 2 374.504 2.031 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000247058422 549274749 /nfs/dbraw/zinc/27/47/49/549274749.db2.gz HEZTWZVHDDQXEU-NZSAHSFTSA-N 2 2 359.539 2.472 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000247058422 549274754 /nfs/dbraw/zinc/27/47/54/549274754.db2.gz HEZTWZVHDDQXEU-NZSAHSFTSA-N 2 2 359.539 2.472 10 0 FEAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000249710026 549617450 /nfs/dbraw/zinc/61/74/50/549617450.db2.gz CXXDIDMFBISLTF-OALUTQOASA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000249710026 549617452 /nfs/dbraw/zinc/61/74/52/549617452.db2.gz CXXDIDMFBISLTF-OALUTQOASA-N 2 2 359.514 2.139 10 0 FEAELP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261701630 549745047 /nfs/dbraw/zinc/74/50/47/549745047.db2.gz JSAFVCOUJNHXBB-JQHSSLGASA-N 2 2 355.486 2.038 10 0 FEAELP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261701630 549745051 /nfs/dbraw/zinc/74/50/51/549745051.db2.gz JSAFVCOUJNHXBB-JQHSSLGASA-N 2 2 355.486 2.038 10 0 FEAELP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000261886633 549765619 /nfs/dbraw/zinc/76/56/19/549765619.db2.gz FYXOLDNNEWCIRX-ZCNNSNEGSA-N 3 2 365.562 2.157 10 0 FEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262048169 549783630 /nfs/dbraw/zinc/78/36/30/549783630.db2.gz QTJQQROTZYRGAV-KSSFIOAISA-N 2 2 365.905 2.299 10 0 FEAELP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000247380045 549327073 /nfs/dbraw/zinc/32/70/73/549327073.db2.gz PRWSZVPDOXXYGI-MISYRCLQSA-N 2 2 374.529 2.088 10 0 FEAELP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)C1 ZINC000247380045 549327074 /nfs/dbraw/zinc/32/70/74/549327074.db2.gz PRWSZVPDOXXYGI-MISYRCLQSA-N 2 2 374.529 2.088 10 0 FEAELP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104783483 543143472 /nfs/dbraw/zinc/14/34/72/543143472.db2.gz UPTIYLNEASQJSA-YLJYHZDGSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000104783483 543143476 /nfs/dbraw/zinc/14/34/76/543143476.db2.gz UPTIYLNEASQJSA-YLJYHZDGSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104783483 543143479 /nfs/dbraw/zinc/14/34/79/543143479.db2.gz UPTIYLNEASQJSA-YLJYHZDGSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104783483 543143482 /nfs/dbraw/zinc/14/34/82/543143482.db2.gz UPTIYLNEASQJSA-YLJYHZDGSA-N 2 2 374.529 2.191 10 0 FEAELP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3C[NH+](C)CCO3)cc2)C1 ZINC000104787348 543143709 /nfs/dbraw/zinc/14/37/09/543143709.db2.gz SLDMGCILWWBPQY-FXAWDEMLSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3C[NH+](C)CCO3)cc2)C1 ZINC000104787348 543143712 /nfs/dbraw/zinc/14/37/12/543143712.db2.gz SLDMGCILWWBPQY-FXAWDEMLSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3C[N@H+](C)CCO3)cc2)C1 ZINC000104787348 543143714 /nfs/dbraw/zinc/14/37/14/543143714.db2.gz SLDMGCILWWBPQY-FXAWDEMLSA-N 2 2 374.529 2.048 10 0 FEAELP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3C[N@@H+](C)CCO3)cc2)C1 ZINC000104787348 543143717 /nfs/dbraw/zinc/14/37/17/543143717.db2.gz SLDMGCILWWBPQY-FXAWDEMLSA-N 2 2 374.529 2.048 10 0 FEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000106904595 543254510 /nfs/dbraw/zinc/25/45/10/543254510.db2.gz RLXQUKSXSDMTOF-NRFANRHFSA-N 2 2 351.494 2.334 10 0 FEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000106904595 543254512 /nfs/dbraw/zinc/25/45/12/543254512.db2.gz RLXQUKSXSDMTOF-NRFANRHFSA-N 2 2 351.494 2.334 10 0 FEAELP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000115807053 543587450 /nfs/dbraw/zinc/58/74/50/543587450.db2.gz RBMMXZACLGFXOV-CJNGLKHVSA-N 2 2 354.445 2.351 10 0 FEAELP CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](c2c(F)cccc2F)[NH+](C)C)C1 ZINC000115807053 543587453 /nfs/dbraw/zinc/58/74/53/543587453.db2.gz RBMMXZACLGFXOV-CJNGLKHVSA-N 2 2 354.445 2.351 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)CC(=O)N2CCCCCC2)nc[nH+]1 ZINC000180564897 327691017 /nfs/dbraw/zinc/69/10/17/327691017.db2.gz RQOPDNZIWUATBH-DLBZAZTESA-N 2 2 374.533 2.258 10 0 FEAELP C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917703 328176069 /nfs/dbraw/zinc/17/60/69/328176069.db2.gz GOPZGSLRVQVSDP-YJBOKZPZSA-N 2 2 364.453 2.452 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000192613417 328328617 /nfs/dbraw/zinc/32/86/17/328328617.db2.gz SKYMNKHHUNXXKB-MRXNPFEDSA-N 2 2 351.447 2.269 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCS(=O)(=O)c1ccc(F)cc1 ZINC000192613417 328328618 /nfs/dbraw/zinc/32/86/18/328328618.db2.gz SKYMNKHHUNXXKB-MRXNPFEDSA-N 2 2 351.447 2.269 10 0 FEAELP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544382 325135385 /nfs/dbraw/zinc/13/53/85/325135385.db2.gz JKXCPDCTHKJHKT-QFBILLFUSA-N 2 2 363.477 2.017 10 0 FEAELP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCOCC1 ZINC000080544382 325135387 /nfs/dbraw/zinc/13/53/87/325135387.db2.gz JKXCPDCTHKJHKT-QFBILLFUSA-N 2 2 363.477 2.017 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)C[C@@H]1CC ZINC000117048486 326049000 /nfs/dbraw/zinc/04/90/00/326049000.db2.gz ZZDSLSQBUAQRBM-SFHVURJKSA-N 2 2 373.501 2.285 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)NCc2cn3c(cccc3C)[nH+]2)C[C@@H]1CC ZINC000117048486 326049003 /nfs/dbraw/zinc/04/90/03/326049003.db2.gz ZZDSLSQBUAQRBM-SFHVURJKSA-N 2 2 373.501 2.285 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NC(=O)Nc3ccccc3)C2)[nH+]1 ZINC000171651141 327151502 /nfs/dbraw/zinc/15/15/02/327151502.db2.gz WGNZUVAEYBUDDO-INIZCTEOSA-N 2 2 367.453 2.472 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NC(=O)Nc3ccccc3)C2)[nH+]1 ZINC000171651141 327151504 /nfs/dbraw/zinc/15/15/04/327151504.db2.gz WGNZUVAEYBUDDO-INIZCTEOSA-N 2 2 367.453 2.472 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@H+](CCNS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000171648791 327151537 /nfs/dbraw/zinc/15/15/37/327151537.db2.gz RVGCOIGZUNRGLS-QGZVFWFLSA-N 2 2 374.510 2.102 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@@H+](CCNS(=O)(=O)c3ccccc3)C2)[nH+]1 ZINC000171648791 327151539 /nfs/dbraw/zinc/15/15/39/327151539.db2.gz RVGCOIGZUNRGLS-QGZVFWFLSA-N 2 2 374.510 2.102 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648163 327151732 /nfs/dbraw/zinc/15/17/32/327151732.db2.gz KAXYCXYUPYWBBA-HNNXBMFYSA-N 2 2 370.453 2.471 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000171648163 327151733 /nfs/dbraw/zinc/15/17/33/327151733.db2.gz KAXYCXYUPYWBBA-HNNXBMFYSA-N 2 2 370.453 2.471 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@H]1CC ZINC000172297853 327193666 /nfs/dbraw/zinc/19/36/66/327193666.db2.gz UEMVDLJFYNNLJQ-QGZVFWFLSA-N 2 2 358.486 2.304 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)Cn2c(C)[nH+]c3ccccc32)C[C@H]1CC ZINC000172297853 327193667 /nfs/dbraw/zinc/19/36/67/327193667.db2.gz UEMVDLJFYNNLJQ-QGZVFWFLSA-N 2 2 358.486 2.304 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)cn1 ZINC000173156166 327238037 /nfs/dbraw/zinc/23/80/37/327238037.db2.gz BXBWCCILKYCPRX-GOSISDBHSA-N 2 2 361.534 2.202 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)cn1 ZINC000173156166 327238038 /nfs/dbraw/zinc/23/80/38/327238038.db2.gz BXBWCCILKYCPRX-GOSISDBHSA-N 2 2 361.534 2.202 10 0 FEAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)nc[nH+]1 ZINC000173436704 327256957 /nfs/dbraw/zinc/25/69/57/327256957.db2.gz SRJKBGBOONKAPJ-APWZRJJASA-N 2 2 374.533 2.114 10 0 FEAELP CNc1cc(N2CCC[C@@H]2CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[nH+]cn1 ZINC000173436704 327256958 /nfs/dbraw/zinc/25/69/58/327256958.db2.gz SRJKBGBOONKAPJ-APWZRJJASA-N 2 2 374.533 2.114 10 0 FEAELP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173767572 327282756 /nfs/dbraw/zinc/28/27/56/327282756.db2.gz TYNBYCFVMWMOAU-UXHICEINSA-N 2 2 374.529 2.186 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)C(=O)NC2CCC(C)CC2)nc[nH+]1 ZINC000174285079 327317156 /nfs/dbraw/zinc/31/71/56/327317156.db2.gz DXGAOPXSHJOXGV-MNAZLIDISA-N 2 2 374.533 2.160 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000175962842 546380565 /nfs/dbraw/zinc/38/05/65/546380565.db2.gz MRDNMMKQRGLSIG-KRWDZBQOSA-N 2 2 373.526 2.485 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000175962842 546380569 /nfs/dbraw/zinc/38/05/69/546380569.db2.gz MRDNMMKQRGLSIG-KRWDZBQOSA-N 2 2 373.526 2.485 10 0 FEAELP O=C(NCC[N@@H+]1CCc2sccc2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177440366 546619278 /nfs/dbraw/zinc/61/92/78/546619278.db2.gz ZWSWANSMDWFRFL-MRXNPFEDSA-N 2 2 359.499 2.177 10 0 FEAELP O=C(NCC[N@H+]1CCc2sccc2C1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177440366 546619283 /nfs/dbraw/zinc/61/92/83/546619283.db2.gz ZWSWANSMDWFRFL-MRXNPFEDSA-N 2 2 359.499 2.177 10 0 FEAELP CCC[C@@H](C(=O)N1CCN(Cc2c(C)[nH+]c3cc(C)ccn32)CC1)[NH+](C)C ZINC000181721012 547367100 /nfs/dbraw/zinc/36/71/00/547367100.db2.gz QXCHNBLPXLNSGA-SFHVURJKSA-N 2 2 371.529 2.326 10 0 FEAELP CCOC(=O)[C@H](CC(C)C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182141055 547444090 /nfs/dbraw/zinc/44/40/90/547444090.db2.gz CAUFWYYASBYFEZ-SFHVURJKSA-N 2 2 350.507 2.257 10 0 FEAELP CCOC(=O)[C@H](CC(C)C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000182141055 547444093 /nfs/dbraw/zinc/44/40/93/547444093.db2.gz CAUFWYYASBYFEZ-SFHVURJKSA-N 2 2 350.507 2.257 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000195266639 548608258 /nfs/dbraw/zinc/60/82/58/548608258.db2.gz HVHQIOMOZXFCDR-HOTGVXAUSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000195266639 548608264 /nfs/dbraw/zinc/60/82/64/548608264.db2.gz HVHQIOMOZXFCDR-HOTGVXAUSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)NCC(C)C)C1 ZINC000195266639 548608269 /nfs/dbraw/zinc/60/82/69/548608269.db2.gz HVHQIOMOZXFCDR-HOTGVXAUSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCS[C@@H](C)C3)CC2)cc1 ZINC000246073205 549045604 /nfs/dbraw/zinc/04/56/04/549045604.db2.gz CIURLKLBPKBLQP-SFHVURJKSA-N 2 2 361.555 2.467 10 0 FEAELP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCS[C@@H](C)C3)CC2)cc1 ZINC000246073205 549045606 /nfs/dbraw/zinc/04/56/06/549045606.db2.gz CIURLKLBPKBLQP-SFHVURJKSA-N 2 2 361.555 2.467 10 0 FEAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCS[C@@H](C)C3)CC2)cc1 ZINC000246073205 549045610 /nfs/dbraw/zinc/04/56/10/549045610.db2.gz CIURLKLBPKBLQP-SFHVURJKSA-N 2 2 361.555 2.467 10 0 FEAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCS[C@@H](C)C3)CC2)cc1 ZINC000246073205 549045612 /nfs/dbraw/zinc/04/56/12/549045612.db2.gz CIURLKLBPKBLQP-SFHVURJKSA-N 2 2 361.555 2.467 10 0 FEAELP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604854 549734044 /nfs/dbraw/zinc/73/40/44/549734044.db2.gz AZMCJPBNFARGTA-NRDMVMEKSA-N 2 2 373.541 2.372 10 0 FEAELP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261604854 549734046 /nfs/dbraw/zinc/73/40/46/549734046.db2.gz AZMCJPBNFARGTA-NRDMVMEKSA-N 2 2 373.541 2.372 10 0 FEAELP COc1cccc(S(=O)(=O)CC[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261613444 549734621 /nfs/dbraw/zinc/73/46/21/549734621.db2.gz CEYXRMCRHGBJNQ-XLIONFOSSA-N 2 2 374.506 2.143 10 0 FEAELP COc1cccc(S(=O)(=O)CC[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261613444 549734626 /nfs/dbraw/zinc/73/46/26/549734626.db2.gz CEYXRMCRHGBJNQ-XLIONFOSSA-N 2 2 374.506 2.143 10 0 FEAELP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261746714 549750572 /nfs/dbraw/zinc/75/05/72/549750572.db2.gz SRULHKFASUPFQH-WHOFXGATSA-N 2 2 352.276 2.365 10 0 FEAELP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261746714 549750573 /nfs/dbraw/zinc/75/05/73/549750573.db2.gz SRULHKFASUPFQH-WHOFXGATSA-N 2 2 352.276 2.365 10 0 FEAELP Cc1cc(NC(=O)C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261746710 549750831 /nfs/dbraw/zinc/75/08/31/549750831.db2.gz SRULHKFASUPFQH-LNSITVRQSA-N 2 2 352.276 2.365 10 0 FEAELP Cc1cc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261746710 549750836 /nfs/dbraw/zinc/75/08/36/549750836.db2.gz SRULHKFASUPFQH-LNSITVRQSA-N 2 2 352.276 2.365 10 0 FEAELP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000262909037 549861681 /nfs/dbraw/zinc/86/16/81/549861681.db2.gz FMBJUXNAAMBJHN-HNNXBMFYSA-N 2 2 357.832 2.418 10 0 FEAELP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCOc4ccccc43)CC2)CC1 ZINC000051759630 540443602 /nfs/dbraw/zinc/44/36/02/540443602.db2.gz LFIVQWFAFDOEQJ-IBGZPJMESA-N 2 2 372.513 2.368 10 0 FEAELP Cc1cccc(-n2ncc(C(=O)N3CC[NH+](C)CC3)c2C2CC[NH2+]CC2)c1 ZINC000015726904 220161880 /nfs/dbraw/zinc/16/18/80/220161880.db2.gz SFTUMPRHMRXBHM-UHFFFAOYSA-N 2 2 367.497 2.035 10 0 FEAELP C[C@H](C(=O)Nc1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130441 543205275 /nfs/dbraw/zinc/20/52/75/543205275.db2.gz IXFAXCBPOCHFQY-QGZVFWFLSA-N 2 2 355.486 2.307 10 0 FEAELP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130441 543205276 /nfs/dbraw/zinc/20/52/76/543205276.db2.gz IXFAXCBPOCHFQY-QGZVFWFLSA-N 2 2 355.486 2.307 10 0 FEAELP Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128560 543205988 /nfs/dbraw/zinc/20/59/88/543205988.db2.gz GXNFIWHFWZZQGC-HXUWFJFHSA-N 2 2 372.513 2.028 10 0 FEAELP Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128560 543205989 /nfs/dbraw/zinc/20/59/89/543205989.db2.gz GXNFIWHFWZZQGC-HXUWFJFHSA-N 2 2 372.513 2.028 10 0 FEAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3nc4ccccc4o3)CC2)C1 ZINC000106123085 543203786 /nfs/dbraw/zinc/20/37/86/543203786.db2.gz FSXNBSYQVDFCQL-KRWDZBQOSA-N 2 2 358.486 2.055 10 0 FEAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3nc4ccccc4o3)CC2)C1 ZINC000106123085 543203788 /nfs/dbraw/zinc/20/37/88/543203788.db2.gz FSXNBSYQVDFCQL-KRWDZBQOSA-N 2 2 358.486 2.055 10 0 FEAELP Cc1[nH+]c(-c2cc(C(=O)N3CCC[N@H+](C)CC3)c3ccccn23)cn1C ZINC000096266812 222105525 /nfs/dbraw/zinc/10/55/25/222105525.db2.gz RIPIMEAJFAXYEZ-UHFFFAOYSA-N 2 2 351.454 2.426 10 0 FEAELP Cc1[nH+]c(-c2cc(C(=O)N3CCC[N@@H+](C)CC3)c3ccccn23)cn1C ZINC000096266812 222105528 /nfs/dbraw/zinc/10/55/28/222105528.db2.gz RIPIMEAJFAXYEZ-UHFFFAOYSA-N 2 2 351.454 2.426 10 0 FEAELP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000151624085 544563982 /nfs/dbraw/zinc/56/39/82/544563982.db2.gz XBIAWFHRULIBHZ-QGZVFWFLSA-N 2 2 356.474 2.187 10 0 FEAELP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000151624085 544563985 /nfs/dbraw/zinc/56/39/85/544563985.db2.gz XBIAWFHRULIBHZ-QGZVFWFLSA-N 2 2 356.474 2.187 10 0 FEAELP C[C@H]([NH2+][C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000180653369 327695684 /nfs/dbraw/zinc/69/56/84/327695684.db2.gz QAYMDIUUVBEKQW-HNAYVOBHSA-N 2 2 364.453 2.452 10 0 FEAELP CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003718 328293147 /nfs/dbraw/zinc/29/31/47/328293147.db2.gz XEWFMKJWGJIIIF-QGZVFWFLSA-N 2 2 350.507 2.400 10 0 FEAELP CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000192003718 328293148 /nfs/dbraw/zinc/29/31/48/328293148.db2.gz XEWFMKJWGJIIIF-QGZVFWFLSA-N 2 2 350.507 2.400 10 0 FEAELP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000192360075 328315342 /nfs/dbraw/zinc/31/53/42/328315342.db2.gz OSSSUAOWZYGRFM-UHFFFAOYSA-N 2 2 369.897 2.345 10 0 FEAELP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2nc[nH+]c(N)c2Cl)CC1 ZINC000192360075 328315344 /nfs/dbraw/zinc/31/53/44/328315344.db2.gz OSSSUAOWZYGRFM-UHFFFAOYSA-N 2 2 369.897 2.345 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(NC(C)=O)cc2)nc[nH+]1 ZINC000109070415 325657760 /nfs/dbraw/zinc/65/77/60/325657760.db2.gz QHQSTBQEKVMLQY-KRWDZBQOSA-N 2 2 354.458 2.235 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NCC[N@@H+](C)C(C)C)CC2)cs1 ZINC000116429972 326014184 /nfs/dbraw/zinc/01/41/84/326014184.db2.gz GWWRZBAMAAETJK-UHFFFAOYSA-N 2 2 353.536 2.009 10 0 FEAELP Cc1nc(C[NH+]2CCCN(C(=O)NCC[N@H+](C)C(C)C)CC2)cs1 ZINC000116429972 326014186 /nfs/dbraw/zinc/01/41/86/326014186.db2.gz GWWRZBAMAAETJK-UHFFFAOYSA-N 2 2 353.536 2.009 10 0 FEAELP Cc1nc(C[N@H+]2CCCN(C(=O)NCC[NH+](C)C(C)C)CC2)cs1 ZINC000116429972 326014187 /nfs/dbraw/zinc/01/41/87/326014187.db2.gz GWWRZBAMAAETJK-UHFFFAOYSA-N 2 2 353.536 2.009 10 0 FEAELP Cc1nc(C[N@@H+]2CCCN(C(=O)NCC[NH+](C)C(C)C)CC2)cs1 ZINC000116429972 326014191 /nfs/dbraw/zinc/01/41/91/326014191.db2.gz GWWRZBAMAAETJK-UHFFFAOYSA-N 2 2 353.536 2.009 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116529078 326020637 /nfs/dbraw/zinc/02/06/37/326020637.db2.gz VCYPHXXJIQXMAI-HNNXBMFYSA-N 2 2 367.563 2.399 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116529078 326020639 /nfs/dbraw/zinc/02/06/39/326020639.db2.gz VCYPHXXJIQXMAI-HNNXBMFYSA-N 2 2 367.563 2.399 10 0 FEAELP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000118987994 326115662 /nfs/dbraw/zinc/11/56/62/326115662.db2.gz HPSWSJOZHKCXSA-UHFFFAOYSA-N 2 2 362.499 2.328 10 0 FEAELP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)s1 ZINC000118987994 326115664 /nfs/dbraw/zinc/11/56/64/326115664.db2.gz HPSWSJOZHKCXSA-UHFFFAOYSA-N 2 2 362.499 2.328 10 0 FEAELP C[C@H](CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[NH+]1CCOCC1 ZINC000121631415 326353662 /nfs/dbraw/zinc/35/36/62/326353662.db2.gz YMSIVLBBINGCQV-LMDPOFIKSA-N 2 2 366.550 2.049 10 0 FEAELP CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000170941947 327108764 /nfs/dbraw/zinc/10/87/64/327108764.db2.gz RWEGCFFPBYNOGA-CYBMUJFWSA-N 2 2 363.502 2.041 10 0 FEAELP CC(=O)c1c(C)[nH]c(C(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000170941947 327108766 /nfs/dbraw/zinc/10/87/66/327108766.db2.gz RWEGCFFPBYNOGA-CYBMUJFWSA-N 2 2 363.502 2.041 10 0 FEAELP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174507449 327331469 /nfs/dbraw/zinc/33/14/69/327331469.db2.gz LFBCTGHHRLEXQS-INIZCTEOSA-N 2 2 371.485 2.343 10 0 FEAELP Cc1[nH+]c2ccccc2n1CCNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177366044 327517140 /nfs/dbraw/zinc/51/71/40/327517140.db2.gz GEFYZGGZPRYMQO-MRXNPFEDSA-N 2 2 352.442 2.415 10 0 FEAELP O=C(C[NH+]1CCC(c2[nH+]ccn2CC2CCC2)CC1)NC[C@H]1CCCO1 ZINC000091468345 526732546 /nfs/dbraw/zinc/73/25/46/526732546.db2.gz VGSQUJADRFVLHZ-GOSISDBHSA-N 2 2 360.502 2.158 10 0 FEAELP CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(-c3[nH+]ccn3C)c2)CC1 ZINC000176352128 546435734 /nfs/dbraw/zinc/43/57/34/546435734.db2.gz NTADXWXKALXPHX-KRWDZBQOSA-N 2 2 357.458 2.008 10 0 FEAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000177697525 546669725 /nfs/dbraw/zinc/66/97/25/546669725.db2.gz PPCGRKBLOHYNNC-MRXNPFEDSA-N 2 2 366.421 2.119 10 0 FEAELP O=C(Nc1cccc(Oc2cc[nH+]cc2)c1)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000177697525 546669727 /nfs/dbraw/zinc/66/97/27/546669727.db2.gz PPCGRKBLOHYNNC-MRXNPFEDSA-N 2 2 366.421 2.119 10 0 FEAELP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000246439861 549133452 /nfs/dbraw/zinc/13/34/52/549133452.db2.gz NGLCUYUGDNSTBG-AEFFLSMTSA-N 2 2 358.486 2.219 10 0 FEAELP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000246439861 549133461 /nfs/dbraw/zinc/13/34/61/549133461.db2.gz NGLCUYUGDNSTBG-AEFFLSMTSA-N 2 2 358.486 2.219 10 0 FEAELP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000247019158 549266990 /nfs/dbraw/zinc/26/69/90/549266990.db2.gz LSEXLIGOHVMKOW-ROUUACIJSA-N 2 2 359.470 2.495 10 0 FEAELP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000247076549 549279372 /nfs/dbraw/zinc/27/93/72/549279372.db2.gz JARCEMBVCPBRHE-DOTOQJQBSA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[NH+](Cc3cscn3)CC2)C1 ZINC000247076549 549279380 /nfs/dbraw/zinc/27/93/80/549279380.db2.gz JARCEMBVCPBRHE-DOTOQJQBSA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)N2CCC[N@H+](Cc3cscn3)CC2)C1 ZINC000247076549 549279381 /nfs/dbraw/zinc/27/93/81/549279381.db2.gz JARCEMBVCPBRHE-DOTOQJQBSA-N 2 2 365.547 2.089 10 0 FEAELP CC(C)[NH+]1C[C@H](C)[C@H](NC(=O)N2CCC[N@@H+](Cc3cscn3)CC2)C1 ZINC000247076549 549279398 /nfs/dbraw/zinc/27/93/98/549279398.db2.gz JARCEMBVCPBRHE-DOTOQJQBSA-N 2 2 365.547 2.089 10 0 FEAELP CC[NH+](CC)[C@H](C(=O)N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000247214738 549300242 /nfs/dbraw/zinc/30/02/42/549300242.db2.gz VOQPNEXDXSBQDZ-HOJAQTOUSA-N 2 2 359.514 2.249 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661772 549479573 /nfs/dbraw/zinc/47/95/73/549479573.db2.gz XNRWEPLJBWXZCV-CVEARBPZSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661772 549479576 /nfs/dbraw/zinc/47/95/76/549479576.db2.gz XNRWEPLJBWXZCV-CVEARBPZSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661772 549479579 /nfs/dbraw/zinc/47/95/79/549479579.db2.gz XNRWEPLJBWXZCV-CVEARBPZSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000248661772 549479581 /nfs/dbraw/zinc/47/95/81/549479581.db2.gz XNRWEPLJBWXZCV-CVEARBPZSA-N 2 2 352.548 2.461 10 0 FEAELP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000051787092 540444491 /nfs/dbraw/zinc/44/44/91/540444491.db2.gz BZRMYNXPYFDDCR-MRXNPFEDSA-N 2 2 368.437 2.413 10 0 FEAELP CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3cc[nH+]cc3)cc2)C1 ZINC000051787092 540444493 /nfs/dbraw/zinc/44/44/93/540444493.db2.gz BZRMYNXPYFDDCR-MRXNPFEDSA-N 2 2 368.437 2.413 10 0 FEAELP CC[NH+]1CCN(CCC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000075262883 542164245 /nfs/dbraw/zinc/16/42/45/542164245.db2.gz BBJZCIPLDCPTKL-QGZVFWFLSA-N 2 2 355.486 2.077 10 0 FEAELP CCCC(=O)N[C@H]1CCC[N@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000101563242 543033501 /nfs/dbraw/zinc/03/35/01/543033501.db2.gz YENKCSGOZAWFRR-ROUUACIJSA-N 2 2 372.513 2.395 10 0 FEAELP CCCC(=O)N[C@H]1CCC[N@@H+](C[C@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000101563242 543033503 /nfs/dbraw/zinc/03/35/03/543033503.db2.gz YENKCSGOZAWFRR-ROUUACIJSA-N 2 2 372.513 2.395 10 0 FEAELP Cc1nc(CN2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)no1 ZINC000106147884 543208465 /nfs/dbraw/zinc/20/84/65/543208465.db2.gz NPSVVSVOZAYLRM-UHFFFAOYSA-N 2 2 352.442 2.272 10 0 FEAELP Cc1nc(CN2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)no1 ZINC000106147884 543208466 /nfs/dbraw/zinc/20/84/66/543208466.db2.gz NPSVVSVOZAYLRM-UHFFFAOYSA-N 2 2 352.442 2.272 10 0 FEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000106910467 543254929 /nfs/dbraw/zinc/25/49/29/543254929.db2.gz MBKAXJDYVJWTHC-SFHVURJKSA-N 2 2 357.523 2.395 10 0 FEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000106910467 543254931 /nfs/dbraw/zinc/25/49/31/543254931.db2.gz MBKAXJDYVJWTHC-SFHVURJKSA-N 2 2 357.523 2.395 10 0 FEAELP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)C1 ZINC000111882446 543423093 /nfs/dbraw/zinc/42/30/93/543423093.db2.gz GLZAFLUFDPRAJJ-GJZGRUSLSA-N 2 2 366.456 2.275 10 0 FEAELP C[NH+](C)[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000111882446 543423097 /nfs/dbraw/zinc/42/30/97/543423097.db2.gz GLZAFLUFDPRAJJ-GJZGRUSLSA-N 2 2 366.456 2.275 10 0 FEAELP CCC[C@@H](C(=O)N(C)C[C@H](c1cccs1)[NH+]1CCOCC1)[NH+](C)C ZINC000130972826 544172657 /nfs/dbraw/zinc/17/26/57/544172657.db2.gz DLWOWQAOSYYFLS-JKSUJKDBSA-N 2 2 353.532 2.310 10 0 FEAELP C[NH2+]C1CC[NH+](Cc2ccc(-c3nc([C@H]4CCCO4)cc(=O)[nH]3)cc2)CC1 ZINC000096879107 222136402 /nfs/dbraw/zinc/13/64/02/222136402.db2.gz VTASJMFNERXJJZ-LJQANCHMSA-N 2 2 368.481 2.472 10 0 FEAELP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000190899444 328239108 /nfs/dbraw/zinc/23/91/08/328239108.db2.gz IQLIYGFNAKTFAR-HNNXBMFYSA-N 2 2 350.894 2.044 10 0 FEAELP C[NH+](C)[C@H]1CCN(C(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)C1 ZINC000190899444 328239109 /nfs/dbraw/zinc/23/91/09/328239109.db2.gz IQLIYGFNAKTFAR-HNNXBMFYSA-N 2 2 350.894 2.044 10 0 FEAELP CCC[C@@H](C(=O)N1CC[NH+](Cc2cc(OC)cc(OC)c2)CC1)[NH+](C)C ZINC000128462105 326524100 /nfs/dbraw/zinc/52/41/00/326524100.db2.gz POEUBNQRSZPQOB-IBGZPJMESA-N 2 2 363.502 2.078 10 0 FEAELP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000162032269 327015259 /nfs/dbraw/zinc/01/52/59/327015259.db2.gz JNPFGOVKQVDNJO-CQSZACIVSA-N 2 2 357.506 2.135 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000162475725 327026851 /nfs/dbraw/zinc/02/68/51/327026851.db2.gz OAGMLEANVHEZQF-WMLDXEAASA-N 2 2 361.490 2.077 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000162475725 327026852 /nfs/dbraw/zinc/02/68/52/327026852.db2.gz OAGMLEANVHEZQF-WMLDXEAASA-N 2 2 361.490 2.077 10 0 FEAELP CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942358 327109059 /nfs/dbraw/zinc/10/90/59/327109059.db2.gz DJGYBDWFNWGMGS-FQEVSTJZSA-N 2 2 369.513 2.109 10 0 FEAELP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000170942358 327109061 /nfs/dbraw/zinc/10/90/61/327109061.db2.gz DJGYBDWFNWGMGS-FQEVSTJZSA-N 2 2 369.513 2.109 10 0 FEAELP O=C(C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000171644490 327150613 /nfs/dbraw/zinc/15/06/13/327150613.db2.gz UPJIFJWXOUTYSK-OAHLLOKOSA-N 2 2 353.426 2.164 10 0 FEAELP O=C(C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1)NC(=O)Nc1ccccc1 ZINC000171644490 327150614 /nfs/dbraw/zinc/15/06/14/327150614.db2.gz UPJIFJWXOUTYSK-OAHLLOKOSA-N 2 2 353.426 2.164 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000172159571 327184778 /nfs/dbraw/zinc/18/47/78/327184778.db2.gz VTVYCDVCGPPYEP-CZUORRHYSA-N 2 2 352.429 2.057 10 0 FEAELP CCOC(=O)c1c[nH+]c2ccccc2c1N1CC[NH+](C[C@@H](O)CC)CC1 ZINC000172819533 327220916 /nfs/dbraw/zinc/22/09/16/327220916.db2.gz LDKSUPLPPGCQOF-HNNXBMFYSA-N 2 2 357.454 2.304 10 0 FEAELP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)c1ccccc1 ZINC000173767587 327282736 /nfs/dbraw/zinc/28/27/36/327282736.db2.gz TYNBYCFVMWMOAU-WOJBJXKFSA-N 2 2 374.529 2.186 10 0 FEAELP C[C@@H](NC(=O)NC[C@H](C)C[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000175182875 327378567 /nfs/dbraw/zinc/37/85/67/327378567.db2.gz YGAXUHZSHRTOPY-DLBZAZTESA-N 2 2 371.485 2.201 10 0 FEAELP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000179781416 547012530 /nfs/dbraw/zinc/01/25/30/547012530.db2.gz NGLCUYUGDNSTBG-FUHWJXTLSA-N 2 2 358.486 2.219 10 0 FEAELP C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccccc1C[NH+]1CCOCC1 ZINC000179781416 547012533 /nfs/dbraw/zinc/01/25/33/547012533.db2.gz NGLCUYUGDNSTBG-FUHWJXTLSA-N 2 2 358.486 2.219 10 0 FEAELP CCCC[N@@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184171811 547781287 /nfs/dbraw/zinc/78/12/87/547781287.db2.gz SBSUATSRAPBJDH-HXUWFJFHSA-N 2 2 359.514 2.268 10 0 FEAELP CCCC[N@H+]1CCOC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184171811 547781292 /nfs/dbraw/zinc/78/12/92/547781292.db2.gz SBSUATSRAPBJDH-HXUWFJFHSA-N 2 2 359.514 2.268 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COCC(C)C)C1 ZINC000195259104 548604998 /nfs/dbraw/zinc/60/49/98/548604998.db2.gz XGBNAUKCWGPTRC-IRXDYDNUSA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COCC(C)C)C1 ZINC000195259104 548605004 /nfs/dbraw/zinc/60/50/04/548605004.db2.gz XGBNAUKCWGPTRC-IRXDYDNUSA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCC(C)C)C1 ZINC000195259104 548605008 /nfs/dbraw/zinc/60/50/08/548605008.db2.gz XGBNAUKCWGPTRC-IRXDYDNUSA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCC(C)C)C1 ZINC000195259104 548605014 /nfs/dbraw/zinc/60/50/14/548605014.db2.gz XGBNAUKCWGPTRC-IRXDYDNUSA-N 2 2 355.548 2.239 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256851 548605184 /nfs/dbraw/zinc/60/51/84/548605184.db2.gz DGEHBFXLJCMNST-DOTOQJQBSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256851 548605188 /nfs/dbraw/zinc/60/51/88/548605188.db2.gz DGEHBFXLJCMNST-DOTOQJQBSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256851 548605191 /nfs/dbraw/zinc/60/51/91/548605191.db2.gz DGEHBFXLJCMNST-DOTOQJQBSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000195256851 548605197 /nfs/dbraw/zinc/60/51/97/548605197.db2.gz DGEHBFXLJCMNST-DOTOQJQBSA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCC2CCC2)C1 ZINC000195263424 548606797 /nfs/dbraw/zinc/60/67/97/548606797.db2.gz DQRYVVDAAXYVQS-MRXNPFEDSA-N 2 2 350.532 2.122 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCC2CCC2)C1 ZINC000195263424 548606799 /nfs/dbraw/zinc/60/67/99/548606799.db2.gz DQRYVVDAAXYVQS-MRXNPFEDSA-N 2 2 350.532 2.122 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCC2CCC2)C1 ZINC000195263424 548606802 /nfs/dbraw/zinc/60/68/02/548606802.db2.gz DQRYVVDAAXYVQS-MRXNPFEDSA-N 2 2 350.532 2.122 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCC2CCC2)C1 ZINC000195263424 548606804 /nfs/dbraw/zinc/60/68/04/548606804.db2.gz DQRYVVDAAXYVQS-MRXNPFEDSA-N 2 2 350.532 2.122 10 0 FEAELP CC[N@H+](CC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@@H](C)C1)C1CC1 ZINC000246225359 549083492 /nfs/dbraw/zinc/08/34/92/549083492.db2.gz DYDFACBFRVKYFA-GOEBONIOSA-N 2 2 351.516 2.110 10 0 FEAELP CC[N@@H+](CC(=O)NC[C@H](c1cccs1)[NH+]1CCO[C@@H](C)C1)C1CC1 ZINC000246225359 549083496 /nfs/dbraw/zinc/08/34/96/549083496.db2.gz DYDFACBFRVKYFA-GOEBONIOSA-N 2 2 351.516 2.110 10 0 FEAELP CC[NH+](CC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000246225359 549083498 /nfs/dbraw/zinc/08/34/98/549083498.db2.gz DYDFACBFRVKYFA-GOEBONIOSA-N 2 2 351.516 2.110 10 0 FEAELP CC[NH+](CC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1)C1CC1 ZINC000246225359 549083502 /nfs/dbraw/zinc/08/35/02/549083502.db2.gz DYDFACBFRVKYFA-GOEBONIOSA-N 2 2 351.516 2.110 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000248642405 549474923 /nfs/dbraw/zinc/47/49/23/549474923.db2.gz DGEHBFXLJCMNST-WBVHZDCISA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000248642405 549474926 /nfs/dbraw/zinc/47/49/26/549474926.db2.gz DGEHBFXLJCMNST-WBVHZDCISA-N 2 2 364.559 2.464 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000248642405 549474929 /nfs/dbraw/zinc/47/49/29/549474929.db2.gz DGEHBFXLJCMNST-WBVHZDCISA-N 2 2 364.559 2.464 10 0 FEAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)N[C@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC000261681300 549742228 /nfs/dbraw/zinc/74/22/28/549742228.db2.gz IKEDYGWJCRBYQL-HOJAQTOUSA-N 2 2 365.477 2.301 10 0 FEAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N[C@H]2CCOc3ccccc32)C[C@H]1c1ccccc1 ZINC000261681300 549742232 /nfs/dbraw/zinc/74/22/32/549742232.db2.gz IKEDYGWJCRBYQL-HOJAQTOUSA-N 2 2 365.477 2.301 10 0 FEAELP C[C@@]([NH3+])(C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000261761042 549752553 /nfs/dbraw/zinc/75/25/53/549752553.db2.gz NLWIURXQSRQPFK-RDJZCZTQSA-N 2 2 366.303 2.320 10 0 FEAELP C[C@@]([NH3+])(C(=O)N1CC[N@H+]2CCCC[C@H]2C1)c1ccc(Br)cc1 ZINC000261761042 549752555 /nfs/dbraw/zinc/75/25/55/549752555.db2.gz NLWIURXQSRQPFK-RDJZCZTQSA-N 2 2 366.303 2.320 10 0 FEAELP C[N@H+](Cc1cscn1)Cc1cccc(NC(=O)C2([NH3+])CCOCC2)c1 ZINC000261940843 549772170 /nfs/dbraw/zinc/77/21/70/549772170.db2.gz XIFVUKGPNBWEHL-UHFFFAOYSA-N 2 2 360.483 2.222 10 0 FEAELP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000261992571 549777919 /nfs/dbraw/zinc/77/79/19/549777919.db2.gz SXIFOMMUWZALCP-MBDNFAEBSA-N 3 2 357.542 2.298 10 0 FEAELP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000261992571 549777921 /nfs/dbraw/zinc/77/79/21/549777921.db2.gz SXIFOMMUWZALCP-MBDNFAEBSA-N 3 2 357.542 2.298 10 0 FEAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@H+](C)Cc2ccc(C(N)=O)cc2)CCCN1C ZINC000583619227 570808887 /nfs/dbraw/zinc/80/88/87/570808887.db2.gz ZDJWVRUCWYZOOM-PKOBYXMFSA-N 2 2 355.486 2.034 10 0 FEAELP Cn1c[nH+]cc1[C@H]1[C@H](C[N@@H+](C)Cc2ccc(C(N)=O)cc2)CCCN1C ZINC000583619227 570808890 /nfs/dbraw/zinc/80/88/90/570808890.db2.gz ZDJWVRUCWYZOOM-PKOBYXMFSA-N 2 2 355.486 2.034 10 0 FEAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000104793498 543144347 /nfs/dbraw/zinc/14/43/47/543144347.db2.gz RKWTZDRUPQXUPA-FQEVSTJZSA-N 2 2 374.529 2.192 10 0 FEAELP C[N@H+]1CCO[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000104793498 543144350 /nfs/dbraw/zinc/14/43/50/543144350.db2.gz RKWTZDRUPQXUPA-FQEVSTJZSA-N 2 2 374.529 2.192 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000106216042 543219006 /nfs/dbraw/zinc/21/90/06/543219006.db2.gz MVZAQVRZAMOGEN-KRWDZBQOSA-N 2 2 356.470 2.278 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccccc2)C1 ZINC000106216042 543219009 /nfs/dbraw/zinc/21/90/09/543219009.db2.gz MVZAQVRZAMOGEN-KRWDZBQOSA-N 2 2 356.470 2.278 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)[nH+]1 ZINC000111213076 543385273 /nfs/dbraw/zinc/38/52/73/543385273.db2.gz FVVHZZFUUQOWLN-ZIAGYGMSSA-N 2 2 356.392 2.287 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)[nH+]1 ZINC000111213076 543385275 /nfs/dbraw/zinc/38/52/75/543385275.db2.gz FVVHZZFUUQOWLN-ZIAGYGMSSA-N 2 2 356.392 2.287 10 0 FEAELP C[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)[NH+]1CCOCC1 ZINC000113590951 543491441 /nfs/dbraw/zinc/49/14/41/543491441.db2.gz MJWMXCBRCDTAOF-IAGOWNOFSA-N 2 2 362.518 2.136 10 0 FEAELP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000117275875 543625530 /nfs/dbraw/zinc/62/55/30/543625530.db2.gz OKNUTHRSXPGJIK-ICSRJNTNSA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C[C@@H]1C ZINC000117275875 543625532 /nfs/dbraw/zinc/62/55/32/543625532.db2.gz OKNUTHRSXPGJIK-ICSRJNTNSA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1C ZINC000117275875 543625533 /nfs/dbraw/zinc/62/55/33/543625533.db2.gz OKNUTHRSXPGJIK-ICSRJNTNSA-N 2 2 359.514 2.220 10 0 FEAELP CCOCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000117275875 543625535 /nfs/dbraw/zinc/62/55/35/543625535.db2.gz OKNUTHRSXPGJIK-ICSRJNTNSA-N 2 2 359.514 2.220 10 0 FEAELP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(F)c1 ZINC000135432553 544346632 /nfs/dbraw/zinc/34/66/32/544346632.db2.gz FKEKCXFTPNYDIV-UHFFFAOYSA-N 2 2 374.460 2.405 10 0 FEAELP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c(F)c1 ZINC000135432553 544346635 /nfs/dbraw/zinc/34/66/35/544346635.db2.gz FKEKCXFTPNYDIV-UHFFFAOYSA-N 2 2 374.460 2.405 10 0 FEAELP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCOCC1)c1ccccc1 ZINC000078545504 325050996 /nfs/dbraw/zinc/05/09/96/325050996.db2.gz PQNMBTKMDGJVPE-HKUYNNGSSA-N 2 2 362.518 2.089 10 0 FEAELP C[C@H](CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000113590895 325854387 /nfs/dbraw/zinc/85/43/87/325854387.db2.gz CORGODLRKJFFGT-GOSISDBHSA-N 2 2 374.529 2.013 10 0 FEAELP CCc1nn(C)c(CC)c1C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121241699 326324250 /nfs/dbraw/zinc/32/42/50/326324250.db2.gz VQTQIKOMCXWGRJ-UHFFFAOYSA-N 2 2 358.534 2.338 10 0 FEAELP CCc1nn(C)c(CC)c1C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121241699 326324252 /nfs/dbraw/zinc/32/42/52/326324252.db2.gz VQTQIKOMCXWGRJ-UHFFFAOYSA-N 2 2 358.534 2.338 10 0 FEAELP COCC[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000174360174 327322112 /nfs/dbraw/zinc/32/21/12/327322112.db2.gz PMGMGLNBVHAGDT-MRXNPFEDSA-N 2 2 371.485 2.343 10 0 FEAELP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177434416 327522245 /nfs/dbraw/zinc/52/22/45/327522245.db2.gz FQWIVTUBGIFHGA-RBUKOAKNSA-N 2 2 355.486 2.230 10 0 FEAELP C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000246869971 328651987 /nfs/dbraw/zinc/65/19/87/328651987.db2.gz DYVAOMQVNMPTFD-ULQDDVLXSA-N 2 2 371.485 2.342 10 0 FEAELP C[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000175628423 546323654 /nfs/dbraw/zinc/32/36/54/546323654.db2.gz YZCITDRTNQJZGV-UYAOXDASSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175628423 546323658 /nfs/dbraw/zinc/32/36/58/546323658.db2.gz YZCITDRTNQJZGV-UYAOXDASSA-N 2 2 374.529 2.013 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccccc2OCCOC)nc[nH+]1 ZINC000177577465 546647021 /nfs/dbraw/zinc/64/70/21/546647021.db2.gz QFMWBBOSBYAOSP-KRWDZBQOSA-N 2 2 371.485 2.302 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178308900 546772847 /nfs/dbraw/zinc/77/28/47/546772847.db2.gz AGYCPGPFMLDHKC-GOSISDBHSA-N 2 2 355.442 2.253 10 0 FEAELP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000178308900 546772849 /nfs/dbraw/zinc/77/28/49/546772849.db2.gz AGYCPGPFMLDHKC-GOSISDBHSA-N 2 2 355.442 2.253 10 0 FEAELP CCOc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178319485 546774380 /nfs/dbraw/zinc/77/43/80/546774380.db2.gz LSEXLIGOHVMKOW-QZTJIDSGSA-N 2 2 359.470 2.495 10 0 FEAELP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178319485 546774384 /nfs/dbraw/zinc/77/43/84/546774384.db2.gz LSEXLIGOHVMKOW-QZTJIDSGSA-N 2 2 359.470 2.495 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178748234 546842712 /nfs/dbraw/zinc/84/27/12/546842712.db2.gz CSAIOFNZCBWMNE-HNNXBMFYSA-N 2 2 358.442 2.312 10 0 FEAELP COc1ccc(OC)c(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178748234 546842720 /nfs/dbraw/zinc/84/27/20/546842720.db2.gz CSAIOFNZCBWMNE-HNNXBMFYSA-N 2 2 358.442 2.312 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245687898 548975560 /nfs/dbraw/zinc/97/55/60/548975560.db2.gz OAGMLEANVHEZQF-RHSMWYFYSA-N 2 2 361.490 2.077 10 0 FEAELP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000245687898 548975564 /nfs/dbraw/zinc/97/55/64/548975564.db2.gz OAGMLEANVHEZQF-RHSMWYFYSA-N 2 2 361.490 2.077 10 0 FEAELP C[N@H+](CCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)Cc1ccc(F)cc1 ZINC000246334199 549109177 /nfs/dbraw/zinc/10/91/77/549109177.db2.gz BTRZFCNCEQFKTJ-KRWDZBQOSA-N 2 2 359.449 2.121 10 0 FEAELP C[N@@H+](CCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)Cc1ccc(F)cc1 ZINC000246334199 549109180 /nfs/dbraw/zinc/10/91/80/549109180.db2.gz BTRZFCNCEQFKTJ-KRWDZBQOSA-N 2 2 359.449 2.121 10 0 FEAELP C[NH+](C)C[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000246403822 549125343 /nfs/dbraw/zinc/12/53/43/549125343.db2.gz RAKZUVFIFDKERL-PMACEKPBSA-N 4 2 358.574 2.454 10 0 FEAELP C[NH+](C)C[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000246403822 549125344 /nfs/dbraw/zinc/12/53/44/549125344.db2.gz RAKZUVFIFDKERL-PMACEKPBSA-N 4 2 358.574 2.454 10 0 FEAELP C[C@@H](CNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000246938509 549246811 /nfs/dbraw/zinc/24/68/11/549246811.db2.gz JNBWWEMTAQZLDT-RBUKOAKNSA-N 2 2 374.529 2.013 10 0 FEAELP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCOCC1 ZINC000246938509 549246815 /nfs/dbraw/zinc/24/68/15/549246815.db2.gz JNBWWEMTAQZLDT-RBUKOAKNSA-N 2 2 374.529 2.013 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)c2cc1C ZINC000247573664 549360858 /nfs/dbraw/zinc/36/08/58/549360858.db2.gz XCXZDEGIIQGXAU-SJLPKXTDSA-N 2 2 353.470 2.237 10 0 FEAELP Cc1cc2[nH+]cn(C[C@H](O)C[N@@H+]3CC[C@@H](c4cnn(C)c4)C3)c2cc1C ZINC000247573664 549360862 /nfs/dbraw/zinc/36/08/62/549360862.db2.gz XCXZDEGIIQGXAU-SJLPKXTDSA-N 2 2 353.470 2.237 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640282 549473737 /nfs/dbraw/zinc/47/37/37/549473737.db2.gz BTGKFHDLMWZWCC-ZBFHGGJFSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640282 549473741 /nfs/dbraw/zinc/47/37/41/549473741.db2.gz BTGKFHDLMWZWCC-ZBFHGGJFSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640282 549473745 /nfs/dbraw/zinc/47/37/45/549473745.db2.gz BTGKFHDLMWZWCC-ZBFHGGJFSA-N 2 2 352.548 2.366 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000248640282 549473746 /nfs/dbraw/zinc/47/37/46/549473746.db2.gz BTGKFHDLMWZWCC-ZBFHGGJFSA-N 2 2 352.548 2.366 10 0 FEAELP Cn1cc[nH+]c1CN(Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261764457 549752511 /nfs/dbraw/zinc/75/25/11/549752511.db2.gz DGEFNQYUJWTIRO-CQSZACIVSA-N 2 2 368.407 2.306 10 0 FEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000262954806 549865646 /nfs/dbraw/zinc/86/56/46/549865646.db2.gz KCUOYOBIZGFLDB-PKOBYXMFSA-N 2 2 363.452 2.498 10 0 FEAELP O=C([C@@H]1CC(F)(F)C[NH2+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000262954806 549865647 /nfs/dbraw/zinc/86/56/47/549865647.db2.gz KCUOYOBIZGFLDB-PKOBYXMFSA-N 2 2 363.452 2.498 10 0 FEAELP CCCc1cc(C(=O)N(Cc2[nH+]ccn2CC)[C@H]2CC23CC[NH2+]CC3)[nH]n1 ZINC000328627852 553798359 /nfs/dbraw/zinc/79/83/59/553798359.db2.gz GQNYEXZZZHPAEC-KRWDZBQOSA-N 2 2 370.501 2.363 10 0 FEAELP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc4c(cc3Br)OCCO4)C[C@H]12 ZINC000261799085 672903767 /nfs/dbraw/zinc/90/37/67/672903767.db2.gz YNXSCGTZYJCELL-VHRBIJSZSA-N 2 2 353.260 2.389 10 0 FEAELP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)C[C@H]12 ZINC000261799085 672903770 /nfs/dbraw/zinc/90/37/70/672903770.db2.gz YNXSCGTZYJCELL-VHRBIJSZSA-N 2 2 353.260 2.389 10 0 FEAELP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000074875652 542132683 /nfs/dbraw/zinc/13/26/83/542132683.db2.gz NZYCRICLEXUMHQ-MRXNPFEDSA-N 2 2 359.474 2.153 10 0 FEAELP C[NH+](C)CCn1cc[nH+]c1C1CCN(C(=O)c2noc3c2CCCC3)CC1 ZINC000095528873 542981964 /nfs/dbraw/zinc/98/19/64/542981964.db2.gz MQAOLXQQEKJNGI-UHFFFAOYSA-N 2 2 371.485 2.331 10 0 FEAELP CN(C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1)C1CCCCC1 ZINC000106129981 543206160 /nfs/dbraw/zinc/20/61/60/543206160.db2.gz LYJVNYISNLCTIP-UHFFFAOYSA-N 2 2 361.534 2.070 10 0 FEAELP CN(C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1)C1CCCCC1 ZINC000106129981 543206163 /nfs/dbraw/zinc/20/61/63/543206163.db2.gz LYJVNYISNLCTIP-UHFFFAOYSA-N 2 2 361.534 2.070 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000106216986 543219458 /nfs/dbraw/zinc/21/94/58/543219458.db2.gz QVOAWMPEXWSVEI-OAHLLOKOSA-N 2 2 367.453 2.068 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CC(=O)Nc3ccccc32)C1 ZINC000106216986 543219460 /nfs/dbraw/zinc/21/94/60/543219460.db2.gz QVOAWMPEXWSVEI-OAHLLOKOSA-N 2 2 367.453 2.068 10 0 FEAELP C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1)c1ccccc1 ZINC000113616758 543493348 /nfs/dbraw/zinc/49/33/48/543493348.db2.gz RZMGUXQCULWQNW-IEBWSBKVSA-N 2 2 374.529 2.280 10 0 FEAELP C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1)c1ccccc1 ZINC000113616758 543493352 /nfs/dbraw/zinc/49/33/52/543493352.db2.gz RZMGUXQCULWQNW-IEBWSBKVSA-N 2 2 374.529 2.280 10 0 FEAELP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000182907520 327793324 /nfs/dbraw/zinc/79/33/24/327793324.db2.gz MHTINIPPXVQDGL-MRXNPFEDSA-N 2 2 356.297 2.432 10 0 FEAELP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000120841669 326292568 /nfs/dbraw/zinc/29/25/68/326292568.db2.gz OVWXXJJEEACGEJ-FQEVSTJZSA-N 2 2 353.514 2.474 10 0 FEAELP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000120841669 326292571 /nfs/dbraw/zinc/29/25/71/326292571.db2.gz OVWXXJJEEACGEJ-FQEVSTJZSA-N 2 2 353.514 2.474 10 0 FEAELP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000120841669 326292575 /nfs/dbraw/zinc/29/25/75/326292575.db2.gz OVWXXJJEEACGEJ-FQEVSTJZSA-N 2 2 353.514 2.474 10 0 FEAELP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000120841669 326292576 /nfs/dbraw/zinc/29/25/76/326292576.db2.gz OVWXXJJEEACGEJ-FQEVSTJZSA-N 2 2 353.514 2.474 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cnc3ccc(C)cn23)nc[nH+]1 ZINC000156582452 326836845 /nfs/dbraw/zinc/83/68/45/326836845.db2.gz OUSUXDOZKZDKHQ-OAHLLOKOSA-N 2 2 351.458 2.233 10 0 FEAELP COc1ccccc1CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645224 327151217 /nfs/dbraw/zinc/15/12/17/327151217.db2.gz RSAWSQHBZMEVAT-KRWDZBQOSA-N 2 2 368.481 2.183 10 0 FEAELP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000171645224 327151218 /nfs/dbraw/zinc/15/12/18/327151218.db2.gz RSAWSQHBZMEVAT-KRWDZBQOSA-N 2 2 368.481 2.183 10 0 FEAELP COC(=O)[C@H](c1ccccc1F)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000173335261 327250457 /nfs/dbraw/zinc/25/04/57/327250457.db2.gz ZMCJGYOSDCWHIP-KDOFPFPSSA-N 2 2 352.450 2.064 10 0 FEAELP COC(=O)[C@H](c1ccccc1F)[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000173335261 327250458 /nfs/dbraw/zinc/25/04/58/327250458.db2.gz ZMCJGYOSDCWHIP-KDOFPFPSSA-N 2 2 352.450 2.064 10 0 FEAELP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173977917 327299307 /nfs/dbraw/zinc/29/93/07/327299307.db2.gz NDTMXYRYXDTEHZ-OAHLLOKOSA-N 2 2 357.454 2.041 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)C(=O)Nc2ccccc2C)nc[nH+]1 ZINC000174285374 327316940 /nfs/dbraw/zinc/31/69/40/327316940.db2.gz FGUOIVCVEUVDMJ-JKSUJKDBSA-N 2 2 368.485 2.412 10 0 FEAELP C[C@@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174548136 327334010 /nfs/dbraw/zinc/33/40/10/327334010.db2.gz DDVWQRAAPMLCME-MRXNPFEDSA-N 2 2 371.485 2.343 10 0 FEAELP C[C@@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174548136 327334011 /nfs/dbraw/zinc/33/40/11/327334011.db2.gz DDVWQRAAPMLCME-MRXNPFEDSA-N 2 2 371.485 2.343 10 0 FEAELP C[C@H](NC(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174548125 327334058 /nfs/dbraw/zinc/33/40/58/327334058.db2.gz DDVWQRAAPMLCME-INIZCTEOSA-N 2 2 371.485 2.343 10 0 FEAELP C[C@H](NC(=O)NCC[N@H+]1CCOC(C)(C)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174548125 327334059 /nfs/dbraw/zinc/33/40/59/327334059.db2.gz DDVWQRAAPMLCME-INIZCTEOSA-N 2 2 371.485 2.343 10 0 FEAELP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)[nH+]c2)CC1 ZINC000262036067 328837194 /nfs/dbraw/zinc/83/71/94/328837194.db2.gz XYGYJKCPXOZPIO-VAMGGRTRSA-N 3 2 373.545 2.181 10 0 FEAELP CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2noc(C[NH3+])n2)CC1 ZINC000262229803 328853026 /nfs/dbraw/zinc/85/30/26/328853026.db2.gz NSVYGJQKWWRPAH-HNNXBMFYSA-N 2 2 351.401 2.075 10 0 FEAELP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000262909040 328899360 /nfs/dbraw/zinc/89/93/60/328899360.db2.gz FMBJUXNAAMBJHN-OAHLLOKOSA-N 2 2 357.832 2.418 10 0 FEAELP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178285916 546769777 /nfs/dbraw/zinc/76/97/77/546769777.db2.gz WYXXBJRICZDXAJ-OALUTQOASA-N 2 2 357.454 2.298 10 0 FEAELP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178285916 546769783 /nfs/dbraw/zinc/76/97/83/546769783.db2.gz WYXXBJRICZDXAJ-OALUTQOASA-N 2 2 357.454 2.298 10 0 FEAELP COc1cccc(S(=O)(=O)CC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178296160 546770110 /nfs/dbraw/zinc/77/01/10/546770110.db2.gz VLRRUIVAWNCSHK-INIZCTEOSA-N 2 2 363.483 2.138 10 0 FEAELP COc1cccc(S(=O)(=O)CC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178296160 546770116 /nfs/dbraw/zinc/77/01/16/546770116.db2.gz VLRRUIVAWNCSHK-INIZCTEOSA-N 2 2 363.483 2.138 10 0 FEAELP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178298212 546772219 /nfs/dbraw/zinc/77/22/19/546772219.db2.gz UJWJNWWTGGKIII-INIZCTEOSA-N 2 2 370.453 2.106 10 0 FEAELP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178298212 546772227 /nfs/dbraw/zinc/77/22/27/546772227.db2.gz UJWJNWWTGGKIII-INIZCTEOSA-N 2 2 370.453 2.106 10 0 FEAELP CC[C@@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000181868787 547394865 /nfs/dbraw/zinc/39/48/65/547394865.db2.gz PQDGZIJYTOMBHC-VQIMIIECSA-N 2 2 371.485 2.031 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255185 548603349 /nfs/dbraw/zinc/60/33/49/548603349.db2.gz XNRWEPLJBWXZCV-JKSUJKDBSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255185 548603354 /nfs/dbraw/zinc/60/33/54/548603354.db2.gz XNRWEPLJBWXZCV-JKSUJKDBSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255185 548603356 /nfs/dbraw/zinc/60/33/56/548603356.db2.gz XNRWEPLJBWXZCV-JKSUJKDBSA-N 2 2 352.548 2.461 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000195255185 548603362 /nfs/dbraw/zinc/60/33/62/548603362.db2.gz XNRWEPLJBWXZCV-JKSUJKDBSA-N 2 2 352.548 2.461 10 0 FEAELP CN(C(=O)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195286511 548611884 /nfs/dbraw/zinc/61/18/84/548611884.db2.gz CZKJIGZIQTZMBP-LJQANCHMSA-N 2 2 352.482 2.498 10 0 FEAELP CN(C(=O)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195286511 548611889 /nfs/dbraw/zinc/61/18/89/548611889.db2.gz CZKJIGZIQTZMBP-LJQANCHMSA-N 2 2 352.482 2.498 10 0 FEAELP CN(C(=O)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195286511 548611895 /nfs/dbraw/zinc/61/18/95/548611895.db2.gz CZKJIGZIQTZMBP-LJQANCHMSA-N 2 2 352.482 2.498 10 0 FEAELP CN(C(=O)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)c1ccccc1 ZINC000195286511 548611900 /nfs/dbraw/zinc/61/19/00/548611900.db2.gz CZKJIGZIQTZMBP-LJQANCHMSA-N 2 2 352.482 2.498 10 0 FEAELP CCCC(=O)N[C@@H]1CCC[N@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000245202247 548901043 /nfs/dbraw/zinc/90/10/43/548901043.db2.gz YENKCSGOZAWFRR-QZTJIDSGSA-N 2 2 372.513 2.395 10 0 FEAELP CCCC(=O)N[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2c[nH+]c3cc(C)c(C)cc32)C1 ZINC000245202247 548901046 /nfs/dbraw/zinc/90/10/46/548901046.db2.gz YENKCSGOZAWFRR-QZTJIDSGSA-N 2 2 372.513 2.395 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@@H+]3CC[C@@](O)(C(F)(F)F)C3)c2cc1C ZINC000246102806 549052733 /nfs/dbraw/zinc/05/27/33/549052733.db2.gz BCQPVRIWLDVYRT-BBRMVZONSA-N 2 2 357.376 2.013 10 0 FEAELP Cc1cc2[nH+]cn(C[C@@H](O)C[N@H+]3CC[C@@](O)(C(F)(F)F)C3)c2cc1C ZINC000246102806 549052735 /nfs/dbraw/zinc/05/27/35/549052735.db2.gz BCQPVRIWLDVYRT-BBRMVZONSA-N 2 2 357.376 2.013 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1 ZINC000247136841 549289237 /nfs/dbraw/zinc/28/92/37/549289237.db2.gz XWLQXROQHXUDSQ-HOTGVXAUSA-N 2 2 368.547 2.151 10 0 FEAELP CC[NH+](CC)CCNC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1 ZINC000247136841 549289239 /nfs/dbraw/zinc/28/92/39/549289239.db2.gz XWLQXROQHXUDSQ-HOTGVXAUSA-N 2 2 368.547 2.151 10 0 FEAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000247283300 549310809 /nfs/dbraw/zinc/31/08/09/549310809.db2.gz DGYZUIJRLLTWLE-RLLQIKCJSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[NH+](C)CCO2)CC[N@H+]1Cc1ccccc1 ZINC000247283300 549310815 /nfs/dbraw/zinc/31/08/15/549310815.db2.gz DGYZUIJRLLTWLE-RLLQIKCJSA-N 2 2 374.529 2.012 10 0 FEAELP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2C[N@H+](C)CCO2)CC[NH+]1Cc1ccccc1 ZINC000247283300 549310823 /nfs/dbraw/zinc/31/08/23/549310823.db2.gz DGYZUIJRLLTWLE-RLLQIKCJSA-N 2 2 374.529 2.012 10 0 FEAELP COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247289338 549311736 /nfs/dbraw/zinc/31/17/36/549311736.db2.gz DWYBJRHGZJKPOE-OALUTQOASA-N 2 2 371.481 2.402 10 0 FEAELP COc1cccc(COC[C@@H](O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1 ZINC000247289338 549311741 /nfs/dbraw/zinc/31/17/41/549311741.db2.gz DWYBJRHGZJKPOE-OALUTQOASA-N 2 2 371.481 2.402 10 0 FEAELP CCN(C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000249274651 549575416 /nfs/dbraw/zinc/57/54/16/549575416.db2.gz CMHWQBLEHFPDKW-AZUAARDMSA-N 2 2 374.529 2.013 10 0 FEAELP CCN(C(=O)NC[C@H](C)[NH+]1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249274651 549575420 /nfs/dbraw/zinc/57/54/20/549575420.db2.gz CMHWQBLEHFPDKW-AZUAARDMSA-N 2 2 374.529 2.013 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249296656 549577988 /nfs/dbraw/zinc/57/79/88/549577988.db2.gz MOAMDYOCQVFJBR-WOJBJXKFSA-N 3 2 369.513 2.075 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249296656 549577991 /nfs/dbraw/zinc/57/79/91/549577991.db2.gz MOAMDYOCQVFJBR-WOJBJXKFSA-N 3 2 369.513 2.075 10 0 FEAELP NC(=O)c1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261866636 549764066 /nfs/dbraw/zinc/76/40/66/549764066.db2.gz ZCOMRDUXRMSICC-INIZCTEOSA-N 2 2 356.495 2.386 10 0 FEAELP NC(=O)c1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261866636 549764068 /nfs/dbraw/zinc/76/40/68/549764068.db2.gz ZCOMRDUXRMSICC-INIZCTEOSA-N 2 2 356.495 2.386 10 0 FEAELP C[C@H](c1ccccc1Cl)[NH+]1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261925350 549770186 /nfs/dbraw/zinc/77/01/86/549770186.db2.gz VOOCYASUJDRXOL-CQSZACIVSA-N 2 2 351.878 2.053 10 0 FEAELP COc1ccc(-n2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)n2)cc1 ZINC000261954452 549773853 /nfs/dbraw/zinc/77/38/53/549773853.db2.gz OUFWNOWWJCAESM-ZCNNSNEGSA-N 2 2 356.470 2.128 10 0 FEAELP Cc1nc(C[N@@H+]2CCCN(c3cncc(-n4cc[nH+]c4C)n3)CC2)cs1 ZINC000301980315 553695760 /nfs/dbraw/zinc/69/57/60/553695760.db2.gz PNYRTKYDOHDFJD-UHFFFAOYSA-N 2 2 369.498 2.448 10 0 FEAELP Cc1nc(C[N@H+]2CCCN(c3cncc(-n4cc[nH+]c4C)n3)CC2)cs1 ZINC000301980315 553695762 /nfs/dbraw/zinc/69/57/62/553695762.db2.gz PNYRTKYDOHDFJD-UHFFFAOYSA-N 2 2 369.498 2.448 10 0 FEAELP CCOC(=O)c1c[nH+]c2c(N)cccc2c1NCCC[NH+]1CCOCC1 ZINC000003819354 539373020 /nfs/dbraw/zinc/37/30/20/539373020.db2.gz YDHYWQRGQLDLBR-UHFFFAOYSA-N 2 2 358.442 2.128 10 0 FEAELP Cc1nc(N2CC[NH+](C[C@H](C)O)CC2)c(Cc2cccc(F)c2)c(C)[nH+]1 ZINC000036340179 539989352 /nfs/dbraw/zinc/98/93/52/539989352.db2.gz OGFWRVNRRVZPMB-AWEZNQCLSA-N 2 2 358.461 2.326 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H](c1cccs1)[NH+]1CCOCC1 ZINC000047741080 540327059 /nfs/dbraw/zinc/32/70/59/540327059.db2.gz YACWWQGZAXNZRE-JKSUJKDBSA-N 2 2 368.547 2.151 10 0 FEAELP CCc1[nH]c(CN2CC[N@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(C)[nH+]1 ZINC000055269723 221064461 /nfs/dbraw/zinc/06/44/61/221064461.db2.gz MIDOGYLVRBMIQN-GOSISDBHSA-N 2 2 360.477 2.488 10 0 FEAELP CCc1[nH]c(CN2CC[N@@H+](Cc3ccc(F)cc3)[C@H](CCO)C2)c(C)[nH+]1 ZINC000055269723 221064463 /nfs/dbraw/zinc/06/44/63/221064463.db2.gz MIDOGYLVRBMIQN-GOSISDBHSA-N 2 2 360.477 2.488 10 0 FEAELP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105013085 543155064 /nfs/dbraw/zinc/15/50/64/543155064.db2.gz YMTVJCTUIZKCIU-FQEVSTJZSA-N 2 2 372.513 2.263 10 0 FEAELP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130009 543206055 /nfs/dbraw/zinc/20/60/55/543206055.db2.gz VCNBVIPYEVGTQF-ROUUACIJSA-N 2 2 361.534 2.069 10 0 FEAELP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130009 543206056 /nfs/dbraw/zinc/20/60/56/543206056.db2.gz VCNBVIPYEVGTQF-ROUUACIJSA-N 2 2 361.534 2.069 10 0 FEAELP O=C(CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000114201642 543507757 /nfs/dbraw/zinc/50/77/57/543507757.db2.gz DNZWETPLXSCCOR-GOSISDBHSA-N 2 2 368.485 2.071 10 0 FEAELP O=C(CC[N@H+]1CCCC[C@@H]1c1cn[nH]c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000114201642 543507759 /nfs/dbraw/zinc/50/77/59/543507759.db2.gz DNZWETPLXSCCOR-GOSISDBHSA-N 2 2 368.485 2.071 10 0 FEAELP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000131415035 544189159 /nfs/dbraw/zinc/18/91/59/544189159.db2.gz RIKXBFRCORFJHW-KRWDZBQOSA-N 2 2 374.510 2.266 10 0 FEAELP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc1 ZINC000131415035 544189163 /nfs/dbraw/zinc/18/91/63/544189163.db2.gz RIKXBFRCORFJHW-KRWDZBQOSA-N 2 2 374.510 2.266 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000137896903 544393424 /nfs/dbraw/zinc/39/34/24/544393424.db2.gz VGEDQSWOTVXAJP-ZDUSSCGKSA-N 2 2 362.503 2.444 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000137896903 544393426 /nfs/dbraw/zinc/39/34/26/544393426.db2.gz VGEDQSWOTVXAJP-ZDUSSCGKSA-N 2 2 362.503 2.444 10 0 FEAELP CCCCc1nnc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000137895423 544393687 /nfs/dbraw/zinc/39/36/87/544393687.db2.gz SFYJDSDIQZUWSF-AWEZNQCLSA-N 2 2 362.503 2.489 10 0 FEAELP CCCCc1nnc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000137895423 544393689 /nfs/dbraw/zinc/39/36/89/544393689.db2.gz SFYJDSDIQZUWSF-AWEZNQCLSA-N 2 2 362.503 2.489 10 0 FEAELP CC[N@H+](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@H](C)C1)C1CC1 ZINC000153326120 544761624 /nfs/dbraw/zinc/76/16/24/544761624.db2.gz DYDFACBFRVKYFA-ZBFHGGJFSA-N 2 2 351.516 2.110 10 0 FEAELP CC[N@@H+](CC(=O)NC[C@@H](c1cccs1)[NH+]1CCO[C@H](C)C1)C1CC1 ZINC000153326120 544761627 /nfs/dbraw/zinc/76/16/27/544761627.db2.gz DYDFACBFRVKYFA-ZBFHGGJFSA-N 2 2 351.516 2.110 10 0 FEAELP CC[NH+](CC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1)C1CC1 ZINC000153326120 544761632 /nfs/dbraw/zinc/76/16/32/544761632.db2.gz DYDFACBFRVKYFA-ZBFHGGJFSA-N 2 2 351.516 2.110 10 0 FEAELP CC[NH+](CC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1)C1CC1 ZINC000153326120 544761637 /nfs/dbraw/zinc/76/16/37/544761637.db2.gz DYDFACBFRVKYFA-ZBFHGGJFSA-N 2 2 351.516 2.110 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000154588793 544925458 /nfs/dbraw/zinc/92/54/58/544925458.db2.gz DSBRIDLRLINVPZ-GOEBONIOSA-N 2 2 367.453 2.030 10 0 FEAELP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000154588793 544925459 /nfs/dbraw/zinc/92/54/59/544925459.db2.gz DSBRIDLRLINVPZ-GOEBONIOSA-N 2 2 367.453 2.030 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cc(=O)n4ccsc4n3)C2)[nH+]1 ZINC000171652567 327151981 /nfs/dbraw/zinc/15/19/81/327151981.db2.gz GQZDFJXSCIHTBR-AWEZNQCLSA-N 2 2 355.467 2.393 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cc(=O)n4ccsc4n3)C2)[nH+]1 ZINC000171652567 327151984 /nfs/dbraw/zinc/15/19/84/327151984.db2.gz GQZDFJXSCIHTBR-AWEZNQCLSA-N 2 2 355.467 2.393 10 0 FEAELP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173173879 327239024 /nfs/dbraw/zinc/23/90/24/327239024.db2.gz PWVZMORYMCWFBG-LPHOPBHVSA-N 2 2 371.485 2.343 10 0 FEAELP COCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173173879 327239025 /nfs/dbraw/zinc/23/90/25/327239025.db2.gz PWVZMORYMCWFBG-LPHOPBHVSA-N 2 2 371.485 2.343 10 0 FEAELP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173454659 327258379 /nfs/dbraw/zinc/25/83/79/327258379.db2.gz DJEVXGXRMTZTTQ-QFBILLFUSA-N 2 2 371.485 2.079 10 0 FEAELP C[C@H](C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000246554305 328627253 /nfs/dbraw/zinc/62/72/53/328627253.db2.gz UBZBGQWAMNQJAQ-IOMROCGXSA-N 2 2 367.493 2.200 10 0 FEAELP Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156534038 545633782 /nfs/dbraw/zinc/63/37/82/545633782.db2.gz SNAOQVNMSHGTOY-UHFFFAOYSA-N 2 2 369.513 2.057 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)CC(=O)Nc2ccccc2)nc[nH+]1 ZINC000177308892 546590798 /nfs/dbraw/zinc/59/07/98/546590798.db2.gz XATVCGDLOZYGCR-WBVHZDCISA-N 2 2 368.485 2.494 10 0 FEAELP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000177326692 546595261 /nfs/dbraw/zinc/59/52/61/546595261.db2.gz IZSOYJSPJTYHCF-UXHICEINSA-N 2 2 374.529 2.186 10 0 FEAELP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000177326692 546595264 /nfs/dbraw/zinc/59/52/64/546595264.db2.gz IZSOYJSPJTYHCF-UXHICEINSA-N 2 2 374.529 2.186 10 0 FEAELP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177387710 546607591 /nfs/dbraw/zinc/60/75/91/546607591.db2.gz IJXKYMQRHGYTKW-GOSISDBHSA-N 2 2 371.485 2.198 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668765 547154094 /nfs/dbraw/zinc/15/40/94/547154094.db2.gz LKSIFEWSXYJTNI-DLBZAZTESA-N 2 2 355.486 2.076 10 0 FEAELP CNC(=O)c1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195289809 548613713 /nfs/dbraw/zinc/61/37/13/548613713.db2.gz QYXSFAQPLQJTJH-LJQANCHMSA-N 2 2 352.482 2.395 10 0 FEAELP CNC(=O)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000195289809 548613718 /nfs/dbraw/zinc/61/37/18/548613718.db2.gz QYXSFAQPLQJTJH-LJQANCHMSA-N 2 2 352.482 2.395 10 0 FEAELP CNC(=O)c1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000195289809 548613725 /nfs/dbraw/zinc/61/37/25/548613725.db2.gz QYXSFAQPLQJTJH-LJQANCHMSA-N 2 2 352.482 2.395 10 0 FEAELP CNC(=O)c1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000195289809 548613731 /nfs/dbraw/zinc/61/37/31/548613731.db2.gz QYXSFAQPLQJTJH-LJQANCHMSA-N 2 2 352.482 2.395 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000245482770 548931938 /nfs/dbraw/zinc/93/19/38/548931938.db2.gz DMRGTUCRBNWFSC-IAGOWNOFSA-N 2 2 371.485 2.295 10 0 FEAELP COCC[N@H+]1CCN(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)C[C@H]1C ZINC000245482770 548931940 /nfs/dbraw/zinc/93/19/40/548931940.db2.gz DMRGTUCRBNWFSC-IAGOWNOFSA-N 2 2 371.485 2.295 10 0 FEAELP C[N@H+](CCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1)Cc1ccccc1 ZINC000246072345 549045404 /nfs/dbraw/zinc/04/54/04/549045404.db2.gz IVOVGXAPFARPOS-SFHVURJKSA-N 2 2 355.486 2.372 10 0 FEAELP C[N@@H+](CCCNc1cc(N2CCC[C@H]2CO)nc[nH+]1)Cc1ccccc1 ZINC000246072345 549045407 /nfs/dbraw/zinc/04/54/07/549045407.db2.gz IVOVGXAPFARPOS-SFHVURJKSA-N 2 2 355.486 2.372 10 0 FEAELP C[N@H+](CCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)Cc1ccccc1 ZINC000246072345 549045409 /nfs/dbraw/zinc/04/54/09/549045409.db2.gz IVOVGXAPFARPOS-SFHVURJKSA-N 2 2 355.486 2.372 10 0 FEAELP C[N@@H+](CCCNc1cc(N2CCC[C@H]2CO)[nH+]cn1)Cc1ccccc1 ZINC000246072345 549045413 /nfs/dbraw/zinc/04/54/13/549045413.db2.gz IVOVGXAPFARPOS-SFHVURJKSA-N 2 2 355.486 2.372 10 0 FEAELP c1cc2c(cc1C[N@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1)OCCO2 ZINC000328651487 553802360 /nfs/dbraw/zinc/80/23/60/553802360.db2.gz VYGJNQXKAJQCRD-GOSISDBHSA-N 2 2 354.454 2.392 10 0 FEAELP c1cc2c(cc1C[N@@H+](Cc1cncnc1)[C@@H]1CCC[NH2+]CC1)OCCO2 ZINC000328651487 553802361 /nfs/dbraw/zinc/80/23/61/553802361.db2.gz VYGJNQXKAJQCRD-GOSISDBHSA-N 2 2 354.454 2.392 10 0 FEAELP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(F)c(Cl)c1 ZINC000180726515 672417222 /nfs/dbraw/zinc/41/72/22/672417222.db2.gz FSDFFYFFEBLRNK-ZDUSSCGKSA-N 2 2 371.884 2.357 10 0 FEAELP C[NH+](C)C[C@H](NC(=O)NCCc1cn2ccccc2[nH+]1)c1ccccc1 ZINC000048216984 540351932 /nfs/dbraw/zinc/35/19/32/540351932.db2.gz BXLOWBBZGBVLNY-SFHVURJKSA-N 2 2 351.454 2.479 10 0 FEAELP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247375480 549326207 /nfs/dbraw/zinc/32/62/07/549326207.db2.gz OGKQLCLQWKAQLN-HKUYNNGSSA-N 2 2 371.481 2.402 10 0 FEAELP COc1ccccc1COC[C@@H](O)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000247375480 549326208 /nfs/dbraw/zinc/32/62/08/549326208.db2.gz OGKQLCLQWKAQLN-HKUYNNGSSA-N 2 2 371.481 2.402 10 0 FEAELP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000067045224 541409977 /nfs/dbraw/zinc/40/99/77/541409977.db2.gz HZJAPHZLRDHMAG-KRWDZBQOSA-N 2 2 362.518 2.000 10 0 FEAELP COc1ccc(-n2cnnn2)cc1C[NH2+][C@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000022445088 220387468 /nfs/dbraw/zinc/38/74/68/220387468.db2.gz DZYPLFAASKBQBS-ICSRJNTNSA-N 2 2 364.453 2.254 10 0 FEAELP C[N@H+](CC(=O)Nc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130342 543206073 /nfs/dbraw/zinc/20/60/73/543206073.db2.gz RCRBWBSTQAHUDI-UHFFFAOYSA-N 2 2 359.449 2.057 10 0 FEAELP C[N@@H+](CC(=O)Nc1cccc(F)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000106130342 543206074 /nfs/dbraw/zinc/20/60/74/543206074.db2.gz RCRBWBSTQAHUDI-UHFFFAOYSA-N 2 2 359.449 2.057 10 0 FEAELP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000106426224 543229775 /nfs/dbraw/zinc/22/97/75/543229775.db2.gz FJIXQFRPABOBRI-HXUWFJFHSA-N 2 2 373.541 2.311 10 0 FEAELP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2C[N@H+](C)CCO2)CCCC1)c1ccccc1 ZINC000113616755 543493485 /nfs/dbraw/zinc/49/34/85/543493485.db2.gz RZMGUXQCULWQNW-PKOBYXMFSA-N 2 2 374.529 2.280 10 0 FEAELP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CCCC1)c1ccccc1 ZINC000113616755 543493486 /nfs/dbraw/zinc/49/34/86/543493486.db2.gz RZMGUXQCULWQNW-PKOBYXMFSA-N 2 2 374.529 2.280 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)c1c(F)cccc1F ZINC000115842427 543589755 /nfs/dbraw/zinc/58/97/55/543589755.db2.gz IHXKPRVCHOMAMP-RHSMWYFYSA-N 2 2 366.456 2.447 10 0 FEAELP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)c1c(F)cccc1F ZINC000115842427 543589759 /nfs/dbraw/zinc/58/97/59/543589759.db2.gz IHXKPRVCHOMAMP-RHSMWYFYSA-N 2 2 366.456 2.447 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C2)[nH+]1 ZINC000247483101 549341702 /nfs/dbraw/zinc/34/17/02/549341702.db2.gz FVVHZZFUUQOWLN-KGLIPLIRSA-N 2 2 356.392 2.287 10 0 FEAELP Cc1cccc(NC[C@H]2CC[N@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C2)[nH+]1 ZINC000247483101 549341705 /nfs/dbraw/zinc/34/17/05/549341705.db2.gz FVVHZZFUUQOWLN-KGLIPLIRSA-N 2 2 356.392 2.287 10 0 FEAELP C[C@H](CNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000153714465 544812393 /nfs/dbraw/zinc/81/23/93/544812393.db2.gz QADZBYGZPGLVSG-WIYYLYMNSA-N 2 2 374.529 2.061 10 0 FEAELP C[C@H](CNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[NH+]1CCOCC1 ZINC000153714465 544812398 /nfs/dbraw/zinc/81/23/98/544812398.db2.gz QADZBYGZPGLVSG-WIYYLYMNSA-N 2 2 374.529 2.061 10 0 FEAELP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCCN1c1cc(NC)[nH+]cn1 ZINC000116339635 326008541 /nfs/dbraw/zinc/00/85/41/326008541.db2.gz NJYAKNUMTVCPLX-LBPRGKRZSA-N 2 2 363.897 2.226 10 0 FEAELP COCC[N@@H+]1CCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000117470999 326061750 /nfs/dbraw/zinc/06/17/50/326061750.db2.gz QNHNJXWHMOCJDA-INIZCTEOSA-N 2 2 373.501 2.097 10 0 FEAELP COCC[N@H+]1CCN(C(=O)NCCCn2c(C)[nH+]c3ccccc32)C[C@@H]1C ZINC000117470999 326061753 /nfs/dbraw/zinc/06/17/53/326061753.db2.gz QNHNJXWHMOCJDA-INIZCTEOSA-N 2 2 373.501 2.097 10 0 FEAELP COc1ccc(CNC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647461 327151131 /nfs/dbraw/zinc/15/11/31/327151131.db2.gz SPXMMFOQMPQWAB-QGZVFWFLSA-N 2 2 354.454 2.140 10 0 FEAELP COc1ccc(CNC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647461 327151132 /nfs/dbraw/zinc/15/11/32/327151132.db2.gz SPXMMFOQMPQWAB-QGZVFWFLSA-N 2 2 354.454 2.140 10 0 FEAELP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3[C@@H](C)COC[C@@H]3C)CC2)cc1 ZINC000172668171 327214051 /nfs/dbraw/zinc/21/40/51/327214051.db2.gz WEFGNCAEEIBSQQ-OALUTQOASA-N 2 2 359.514 2.139 10 0 FEAELP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3[C@@H](C)COC[C@@H]3C)CC2)cc1 ZINC000172668171 327214052 /nfs/dbraw/zinc/21/40/52/327214052.db2.gz WEFGNCAEEIBSQQ-OALUTQOASA-N 2 2 359.514 2.139 10 0 FEAELP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1F ZINC000177525774 327528541 /nfs/dbraw/zinc/52/85/41/327528541.db2.gz AIQIVQPOSXHFDK-QGZVFWFLSA-N 2 2 359.449 2.458 10 0 FEAELP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccccc2OCCOC)nc[nH+]1 ZINC000177577450 327531480 /nfs/dbraw/zinc/53/14/80/327531480.db2.gz QFMWBBOSBYAOSP-QGZVFWFLSA-N 2 2 371.485 2.302 10 0 FEAELP CC[NH+](CC)CCNC(=O)N(C)C[C@@H](c1cccs1)[NH+]1CCOCC1 ZINC000178425962 327584461 /nfs/dbraw/zinc/58/44/61/327584461.db2.gz TZGLLKBDAGSCAH-INIZCTEOSA-N 2 2 368.547 2.105 10 0 FEAELP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262048167 328838089 /nfs/dbraw/zinc/83/80/89/328838089.db2.gz QTJQQROTZYRGAV-KBXCAEBGSA-N 2 2 365.905 2.299 10 0 FEAELP COC(=O)c1cccc([C@@H](C(=O)OC)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000156826087 545666262 /nfs/dbraw/zinc/66/62/62/545666262.db2.gz COOZGIDTXFGOHL-ROUUACIJSA-N 2 2 371.437 2.357 10 0 FEAELP COC(=O)c1cccc([C@@H](C(=O)OC)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000156826087 545666269 /nfs/dbraw/zinc/66/62/69/545666269.db2.gz COOZGIDTXFGOHL-ROUUACIJSA-N 2 2 371.437 2.357 10 0 FEAELP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178754678 546844208 /nfs/dbraw/zinc/84/42/08/546844208.db2.gz QZGRHPWDBYBNMZ-KRWDZBQOSA-N 2 2 356.426 2.081 10 0 FEAELP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000178754678 546844213 /nfs/dbraw/zinc/84/42/13/546844213.db2.gz QZGRHPWDBYBNMZ-KRWDZBQOSA-N 2 2 356.426 2.081 10 0 FEAELP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)CC1 ZINC000182189653 547450694 /nfs/dbraw/zinc/45/06/94/547450694.db2.gz OSPMBSITUVGOBY-GPANFISMSA-N 2 2 361.490 2.199 10 0 FEAELP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)C1 ZINC000237892211 548862026 /nfs/dbraw/zinc/86/20/26/548862026.db2.gz MKAPCBJWFAEPHX-DOTOQJQBSA-N 2 2 365.905 2.381 10 0 FEAELP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000248822609 549507185 /nfs/dbraw/zinc/50/71/85/549507185.db2.gz FOGFBEOHKSTLHJ-FXAWDEMLSA-N 2 2 359.514 2.267 10 0 FEAELP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1COCC[NH+]1C1CCCC1 ZINC000248822609 549507190 /nfs/dbraw/zinc/50/71/90/549507190.db2.gz FOGFBEOHKSTLHJ-FXAWDEMLSA-N 2 2 359.514 2.267 10 0 FEAELP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000248822609 549507195 /nfs/dbraw/zinc/50/71/95/549507195.db2.gz FOGFBEOHKSTLHJ-FXAWDEMLSA-N 2 2 359.514 2.267 10 0 FEAELP C[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000248822609 549507201 /nfs/dbraw/zinc/50/72/01/549507201.db2.gz FOGFBEOHKSTLHJ-FXAWDEMLSA-N 2 2 359.514 2.267 10 0 FEAELP CC[C@H](C)[C@@H](NC(=O)C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)OC ZINC000249259376 549572738 /nfs/dbraw/zinc/57/27/38/549572738.db2.gz HTJSVQGVPJLUDP-QMTMVMCOSA-N 2 2 372.469 2.227 10 0 FEAELP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000261766435 549753422 /nfs/dbraw/zinc/75/34/22/549753422.db2.gz ONGZWWAAPWNCHV-AEFFLSMTSA-N 2 2 367.449 2.071 10 0 FEAELP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000261766435 549753424 /nfs/dbraw/zinc/75/34/24/549753424.db2.gz ONGZWWAAPWNCHV-AEFFLSMTSA-N 2 2 367.449 2.071 10 0 FEAELP COc1ccc(-n2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)n2)cc1 ZINC000261954444 549773759 /nfs/dbraw/zinc/77/37/59/549773759.db2.gz OUFWNOWWJCAESM-AQNXPRMDSA-N 2 2 356.470 2.128 10 0 FEAELP COc1c(C)c[nH+]c(CN(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1C ZINC000262744143 549845493 /nfs/dbraw/zinc/84/54/93/549845493.db2.gz JSPKEOUHPFPCEK-OAHLLOKOSA-N 2 2 357.458 2.100 10 0 FEAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000301693799 553672405 /nfs/dbraw/zinc/67/24/05/553672405.db2.gz ZRXWVTBGPLNOOM-SJORKVTESA-N 2 2 355.438 2.239 10 0 FEAELP CCOC(=O)c1c[nH+]c2c(C)cccc2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000301693799 553672407 /nfs/dbraw/zinc/67/24/07/553672407.db2.gz ZRXWVTBGPLNOOM-SJORKVTESA-N 2 2 355.438 2.239 10 0 FEAELP O[C@H](CNc1cc[nH+]c2c(Br)cccc12)C[NH+]1CCOCC1 ZINC000301707672 553673632 /nfs/dbraw/zinc/67/36/32/553673632.db2.gz CERWGKGDSZYEQZ-GFCCVEGCSA-N 2 2 366.259 2.102 10 0 FEAELP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000048214755 540351922 /nfs/dbraw/zinc/35/19/22/540351922.db2.gz XGJOINJGGXDSAD-HKUYNNGSSA-N 2 2 362.518 2.089 10 0 FEAELP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073721206 541991109 /nfs/dbraw/zinc/99/11/09/541991109.db2.gz LYNYXKXIAVQTIA-INIZCTEOSA-N 2 2 359.474 2.201 10 0 FEAELP COCC[N@@H+](C)CCCNC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000073721206 541991114 /nfs/dbraw/zinc/99/11/14/541991114.db2.gz LYNYXKXIAVQTIA-INIZCTEOSA-N 2 2 359.474 2.201 10 0 FEAELP CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](C)CC3)CC2)nc[nH+]1 ZINC000065274078 221193400 /nfs/dbraw/zinc/19/34/00/221193400.db2.gz OJBPORJDHJYMTO-UHFFFAOYSA-N 2 2 374.533 2.069 10 0 FEAELP CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](C)CC3)CC2)[nH+]cn1 ZINC000065274078 221193403 /nfs/dbraw/zinc/19/34/03/221193403.db2.gz OJBPORJDHJYMTO-UHFFFAOYSA-N 2 2 374.533 2.069 10 0 FEAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCc3onc(-c4ccc(Cl)cc4)c3C2)CC1 ZINC000067446727 221254892 /nfs/dbraw/zinc/25/48/92/221254892.db2.gz NNCUSXBOWLLFKH-UHFFFAOYSA-N 2 2 374.872 2.127 10 0 FEAELP C[NH+]1CCN(C(=O)C[N@H+]2CCc3onc(-c4ccc(Cl)cc4)c3C2)CC1 ZINC000067446727 221254895 /nfs/dbraw/zinc/25/48/95/221254895.db2.gz NNCUSXBOWLLFKH-UHFFFAOYSA-N 2 2 374.872 2.127 10 0 FEAELP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3C[N@H+](C)CCO3)cc2)CC1 ZINC000104781085 543143857 /nfs/dbraw/zinc/14/38/57/543143857.db2.gz RDDBPMASRJTGDB-FQEVSTJZSA-N 2 2 374.529 2.048 10 0 FEAELP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3C[N@@H+](C)CCO3)cc2)CC1 ZINC000104781085 543143859 /nfs/dbraw/zinc/14/38/59/543143859.db2.gz RDDBPMASRJTGDB-FQEVSTJZSA-N 2 2 374.529 2.048 10 0 FEAELP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3C[N@H+](C)CCO3)c2)CC1 ZINC000104796381 543144664 /nfs/dbraw/zinc/14/46/64/543144664.db2.gz RLAULZKPGAEYBR-FQEVSTJZSA-N 2 2 374.529 2.048 10 0 FEAELP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3C[N@@H+](C)CCO3)c2)CC1 ZINC000104796381 543144666 /nfs/dbraw/zinc/14/46/66/543144666.db2.gz RLAULZKPGAEYBR-FQEVSTJZSA-N 2 2 374.529 2.048 10 0 FEAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000105010207 543155071 /nfs/dbraw/zinc/15/50/71/543155071.db2.gz LCLVAMGFHHYAAO-SFHVURJKSA-N 2 2 358.486 2.221 10 0 FEAELP O=C(Nc1ccccc1C[NH+]1CCOCC1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000105010207 543155072 /nfs/dbraw/zinc/15/50/72/543155072.db2.gz LCLVAMGFHHYAAO-SFHVURJKSA-N 2 2 358.486 2.221 10 0 FEAELP C[N@H+](C[C@@H](O)c1c(F)cccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128917 543206085 /nfs/dbraw/zinc/20/60/85/543206085.db2.gz PJAOHKDXWILQJV-GOSISDBHSA-N 2 2 364.440 2.291 10 0 FEAELP C[N@@H+](C[C@@H](O)c1c(F)cccc1F)C1CC[NH+](CCn2cccn2)CC1 ZINC000106128917 543206086 /nfs/dbraw/zinc/20/60/86/543206086.db2.gz PJAOHKDXWILQJV-GOSISDBHSA-N 2 2 364.440 2.291 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000106215448 543217949 /nfs/dbraw/zinc/21/79/49/543217949.db2.gz FLKVWUIKDQRZGV-CYBMUJFWSA-N 2 2 358.471 2.055 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nn3c(nc(C)cc3=O)s2)C1 ZINC000106215448 543217953 /nfs/dbraw/zinc/21/79/53/543217953.db2.gz FLKVWUIKDQRZGV-CYBMUJFWSA-N 2 2 358.471 2.055 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000106215651 543219477 /nfs/dbraw/zinc/21/94/77/543219477.db2.gz XFEYJXQHBOETMF-QGZVFWFLSA-N 2 2 356.470 2.407 10 0 FEAELP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(OC)c2)C1 ZINC000106215651 543219478 /nfs/dbraw/zinc/21/94/78/543219478.db2.gz XFEYJXQHBOETMF-QGZVFWFLSA-N 2 2 356.470 2.407 10 0 FEAELP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000106426223 543229875 /nfs/dbraw/zinc/22/98/75/543229875.db2.gz FJIXQFRPABOBRI-FQEVSTJZSA-N 2 2 373.541 2.311 10 0 FEAELP CCn1cc(C[N@@H+]2CCCN(C(=O)[C@@H](C)[NH+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661467 543333192 /nfs/dbraw/zinc/33/31/92/543333192.db2.gz BBVDMMYXYYYBHY-FGTMMUONSA-N 2 2 361.534 2.199 10 0 FEAELP CCn1cc(C[N@H+]2CCCN(C(=O)[C@@H](C)[NH+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661467 543333193 /nfs/dbraw/zinc/33/31/93/543333193.db2.gz BBVDMMYXYYYBHY-FGTMMUONSA-N 2 2 361.534 2.199 10 0 FEAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661467 543333195 /nfs/dbraw/zinc/33/31/95/543333195.db2.gz BBVDMMYXYYYBHY-FGTMMUONSA-N 2 2 361.534 2.199 10 0 FEAELP CCn1cc(C[NH+]2CCCN(C(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000109661467 543333197 /nfs/dbraw/zinc/33/31/97/543333197.db2.gz BBVDMMYXYYYBHY-FGTMMUONSA-N 2 2 361.534 2.199 10 0 FEAELP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000114706350 543531056 /nfs/dbraw/zinc/53/10/56/543531056.db2.gz MJXMXDPWXMYRLA-RXVVDRJESA-N 2 2 366.509 2.460 10 0 FEAELP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000124841801 543846170 /nfs/dbraw/zinc/84/61/70/543846170.db2.gz HJPYKAZCDKNTCX-QXCFHYIPSA-N 2 2 351.535 2.350 10 0 FEAELP C[C@@H]1CC[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000124841801 543846173 /nfs/dbraw/zinc/84/61/73/543846173.db2.gz HJPYKAZCDKNTCX-QXCFHYIPSA-N 2 2 351.535 2.350 10 0 FEAELP C[C@H](CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[NH+]1CCOCC1 ZINC000151804880 544582476 /nfs/dbraw/zinc/58/24/76/544582476.db2.gz OYJPVNRCDZPAMW-GOSISDBHSA-N 2 2 366.550 2.005 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2ccc[nH+]c2N(C)C)C1 ZINC000152184104 544622584 /nfs/dbraw/zinc/62/25/84/544622584.db2.gz ZOFSELBRGPKQLV-INIZCTEOSA-N 2 2 356.474 2.453 10 0 FEAELP C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000189917663 328176063 /nfs/dbraw/zinc/17/60/63/328176063.db2.gz GOPZGSLRVQVSDP-MAUKXSAKSA-N 2 2 364.453 2.452 10 0 FEAELP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nccn2-c2ccccc2)nc[nH+]1 ZINC000190971640 328242805 /nfs/dbraw/zinc/24/28/05/328242805.db2.gz PXYLEBUVDRKDSK-KRWDZBQOSA-N 2 2 363.469 2.463 10 0 FEAELP Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)ccc1Oc1cc[nH+]cc1 ZINC000194827503 328442431 /nfs/dbraw/zinc/44/24/31/328442431.db2.gz GXNFPQYZYBZWSZ-INIZCTEOSA-N 2 2 368.437 2.283 10 0 FEAELP CC(C)n1ncc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cnc21 ZINC000195430891 328476883 /nfs/dbraw/zinc/47/68/83/328476883.db2.gz NIUWQNNUXGQXGY-UHFFFAOYSA-N 2 2 356.518 2.226 10 0 FEAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000116529081 326021012 /nfs/dbraw/zinc/02/10/12/326021012.db2.gz VCYPHXXJIQXMAI-OAHLLOKOSA-N 2 2 367.563 2.399 10 0 FEAELP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000116529081 326021014 /nfs/dbraw/zinc/02/10/14/326021014.db2.gz VCYPHXXJIQXMAI-OAHLLOKOSA-N 2 2 367.563 2.399 10 0 FEAELP COc1cccc([C@H](CNc2cc(N3CCC[C@H]3CO)[nH+]cn2)[NH+](C)C)c1 ZINC000246222619 328600501 /nfs/dbraw/zinc/60/05/01/328600501.db2.gz ZGUDMXMEPKJKSP-WMZOPIPTSA-N 2 2 371.485 2.161 10 0 FEAELP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647735 327151605 /nfs/dbraw/zinc/15/16/05/327151605.db2.gz BUFAUULMYYAJMH-OAHLLOKOSA-N 2 2 368.437 2.241 10 0 FEAELP COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc1 ZINC000171647735 327151607 /nfs/dbraw/zinc/15/16/07/327151607.db2.gz BUFAUULMYYAJMH-OAHLLOKOSA-N 2 2 368.437 2.241 10 0 FEAELP CC1CCN(c2ccc(CNC(=O)N3CC[N@@H+]4CCC[C@@H]4C3)c[nH+]2)CC1 ZINC000171900426 327168646 /nfs/dbraw/zinc/16/86/46/327168646.db2.gz HDZCVPXXEPFRCP-GOSISDBHSA-N 2 2 357.502 2.308 10 0 FEAELP CC1CCN(c2ccc(CNC(=O)N3CC[N@H+]4CCC[C@@H]4C3)c[nH+]2)CC1 ZINC000171900426 327168648 /nfs/dbraw/zinc/16/86/48/327168648.db2.gz HDZCVPXXEPFRCP-GOSISDBHSA-N 2 2 357.502 2.308 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000173760773 327282296 /nfs/dbraw/zinc/28/22/96/327282296.db2.gz DBYKZWDKAQSTTG-QZTJIDSGSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccc(N2CCCC2)[nH+]c1 ZINC000173760773 327282297 /nfs/dbraw/zinc/28/22/97/327282297.db2.gz DBYKZWDKAQSTTG-QZTJIDSGSA-N 2 2 357.502 2.450 10 0 FEAELP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000173805805 327285401 /nfs/dbraw/zinc/28/54/01/327285401.db2.gz ZOCTVBOOEPYWPL-IAGOWNOFSA-N 2 2 354.458 2.036 10 0 FEAELP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1cccnc1-n1cc[nH+]c1 ZINC000173805805 327285402 /nfs/dbraw/zinc/28/54/02/327285402.db2.gz ZOCTVBOOEPYWPL-IAGOWNOFSA-N 2 2 354.458 2.036 10 0 FEAELP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H]1[NH+]1CCOCC1 ZINC000173979207 327299290 /nfs/dbraw/zinc/29/92/90/327299290.db2.gz ODSLOTVFYRXSGA-QAPCUYQASA-N 2 2 371.481 2.287 10 0 FEAELP C[C@@H](O)C[N@@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000174356408 327321675 /nfs/dbraw/zinc/32/16/75/327321675.db2.gz JAFPJPLOZYXUTP-HZPDHXFCSA-N 2 2 355.438 2.401 10 0 FEAELP C[C@@H](O)C[N@H+]1CCN(C(=O)c2cccc(Oc3cc[nH+]cc3)c2)C[C@H]1C ZINC000174356408 327321676 /nfs/dbraw/zinc/32/16/76/327321676.db2.gz JAFPJPLOZYXUTP-HZPDHXFCSA-N 2 2 355.438 2.401 10 0 FEAELP C[NH+]1CCC(CNC(=O)N[C@@H]2COc3ccccc32)([NH+]2CCCCC2)CC1 ZINC000174439716 327327074 /nfs/dbraw/zinc/32/70/74/327327074.db2.gz QREOQPZTYUEZRB-GOSISDBHSA-N 2 2 372.513 2.370 10 0 FEAELP C[C@H](CNC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1)C[NH+]1CCOCC1 ZINC000175182894 327378673 /nfs/dbraw/zinc/37/86/73/327378673.db2.gz YGAXUHZSHRTOPY-IAGOWNOFSA-N 2 2 371.485 2.201 10 0 FEAELP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CC(F)(F)C[NH2+]3)c2)C[C@@H](C)O1 ZINC000263282329 328930157 /nfs/dbraw/zinc/93/01/57/328930157.db2.gz UMCRCTJVSSTZIJ-IOASZLSFSA-N 2 2 353.413 2.232 10 0 FEAELP CCC[N@H+](CC)CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000175767355 546346585 /nfs/dbraw/zinc/34/65/85/546346585.db2.gz XKYSZBRJHNMQDG-UHFFFAOYSA-N 2 2 367.563 2.401 10 0 FEAELP CCC[N@@H+](CC)CCNC(=O)N1CCC[NH+](Cc2csc(C)n2)CC1 ZINC000175767355 546346590 /nfs/dbraw/zinc/34/65/90/546346590.db2.gz XKYSZBRJHNMQDG-UHFFFAOYSA-N 2 2 367.563 2.401 10 0 FEAELP CCC[NH+](CC)CCNC(=O)N1CCC[N@H+](Cc2csc(C)n2)CC1 ZINC000175767355 546346594 /nfs/dbraw/zinc/34/65/94/546346594.db2.gz XKYSZBRJHNMQDG-UHFFFAOYSA-N 2 2 367.563 2.401 10 0 FEAELP CCC[NH+](CC)CCNC(=O)N1CCC[N@@H+](Cc2csc(C)n2)CC1 ZINC000175767355 546346600 /nfs/dbraw/zinc/34/66/00/546346600.db2.gz XKYSZBRJHNMQDG-UHFFFAOYSA-N 2 2 367.563 2.401 10 0 FEAELP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000177146281 546555058 /nfs/dbraw/zinc/55/50/58/546555058.db2.gz ZYQDCEYZQGXCFU-CVEARBPZSA-N 2 2 351.441 2.211 10 0 FEAELP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000177387784 546607246 /nfs/dbraw/zinc/60/72/46/546607246.db2.gz NVAPTXXOIHLBRT-GOSISDBHSA-N 2 2 371.485 2.198 10 0 FEAELP O=C(C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177751958 546678741 /nfs/dbraw/zinc/67/87/41/546678741.db2.gz SUEWTYIOQHYZTG-WOJBJXKFSA-N 2 2 368.481 2.165 10 0 FEAELP O=C(C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177751958 546678745 /nfs/dbraw/zinc/67/87/45/546678745.db2.gz SUEWTYIOQHYZTG-WOJBJXKFSA-N 2 2 368.481 2.165 10 0 FEAELP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000180668780 547154356 /nfs/dbraw/zinc/15/43/56/547154356.db2.gz LKSIFEWSXYJTNI-IRXDYDNUSA-N 2 2 355.486 2.076 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cn(Cc4cccnc4)nn3)C2)[nH+]1 ZINC000183035705 547590741 /nfs/dbraw/zinc/59/07/41/547590741.db2.gz KQQHVQPVOLQNJK-SFHVURJKSA-N 2 2 363.469 2.359 10 0 FEAELP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cn(Cc4cccnc4)nn3)C2)[nH+]1 ZINC000183035705 547590744 /nfs/dbraw/zinc/59/07/44/547590744.db2.gz KQQHVQPVOLQNJK-SFHVURJKSA-N 2 2 363.469 2.359 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)CC2CC2)C1 ZINC000195255671 548605536 /nfs/dbraw/zinc/60/55/36/548605536.db2.gz RDCVBKUEAJPOLB-MRXNPFEDSA-N 2 2 350.532 2.074 10 0 FEAELP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)CC2CC2)C1 ZINC000195255671 548605542 /nfs/dbraw/zinc/60/55/42/548605542.db2.gz RDCVBKUEAJPOLB-MRXNPFEDSA-N 2 2 350.532 2.074 10 0 FEAELP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)CC2CC2)C1 ZINC000195255671 548605545 /nfs/dbraw/zinc/60/55/45/548605545.db2.gz RDCVBKUEAJPOLB-MRXNPFEDSA-N 2 2 350.532 2.074 10 0 FEAELP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)CC2CC2)C1 ZINC000195255671 548605550 /nfs/dbraw/zinc/60/55/50/548605550.db2.gz RDCVBKUEAJPOLB-MRXNPFEDSA-N 2 2 350.532 2.074 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000245912792 549016486 /nfs/dbraw/zinc/01/64/86/549016486.db2.gz DSBRIDLRLINVPZ-ZBFHGGJFSA-N 2 2 367.453 2.030 10 0 FEAELP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 ZINC000245912792 549016492 /nfs/dbraw/zinc/01/64/92/549016492.db2.gz DSBRIDLRLINVPZ-ZBFHGGJFSA-N 2 2 367.453 2.030 10 0 FEAELP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000246024176 549037682 /nfs/dbraw/zinc/03/76/82/549037682.db2.gz QHDURURSHMYRPN-SOLBZPMBSA-N 2 2 360.502 2.464 10 0 FEAELP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000246024176 549037689 /nfs/dbraw/zinc/03/76/89/549037689.db2.gz QHDURURSHMYRPN-SOLBZPMBSA-N 2 2 360.502 2.464 10 0 FEAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H](C)C3)[nH+]cn2)CC1 ZINC000246599510 549171744 /nfs/dbraw/zinc/17/17/44/549171744.db2.gz QGRBVTXVAKPDAY-SJORKVTESA-N 2 2 361.534 2.242 10 0 FEAELP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCC[C@@H](C)C3)nc[nH+]2)CC1 ZINC000246599510 549171750 /nfs/dbraw/zinc/17/17/50/549171750.db2.gz QGRBVTXVAKPDAY-SJORKVTESA-N 2 2 361.534 2.242 10 0 FEAELP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000246845328 549226389 /nfs/dbraw/zinc/22/63/89/549226389.db2.gz CJLSOSCALKXPNK-NVXWUHKLSA-N 2 2 351.516 2.361 10 0 FEAELP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)c2cccc(N3CCCS3(=O)=O)c2)C1 ZINC000246845328 549226391 /nfs/dbraw/zinc/22/63/91/549226391.db2.gz CJLSOSCALKXPNK-NVXWUHKLSA-N 2 2 351.516 2.361 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000247582268 549361955 /nfs/dbraw/zinc/36/19/55/549361955.db2.gz IOGQZIWXMTXSBQ-PBHICJAKSA-N 2 2 369.469 2.209 10 0 FEAELP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000247582268 549361957 /nfs/dbraw/zinc/36/19/57/549361957.db2.gz IOGQZIWXMTXSBQ-PBHICJAKSA-N 2 2 369.469 2.209 10 0 FEAELP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261768237 549753203 /nfs/dbraw/zinc/75/32/03/549753203.db2.gz VPBSPINWTZGUNO-YUTCNCBUSA-N 2 2 352.276 2.365 10 0 FEAELP Cc1cc(Br)ccc1NC(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261768237 549753206 /nfs/dbraw/zinc/75/32/06/549753206.db2.gz VPBSPINWTZGUNO-YUTCNCBUSA-N 2 2 352.276 2.365 10 0 FEAELP O[C@@H](CNc1cc[nH+]c2c(Br)cccc12)C[NH+]1CCOCC1 ZINC000301707673 553673608 /nfs/dbraw/zinc/67/36/08/553673608.db2.gz CERWGKGDSZYEQZ-LBPRGKRZSA-N 2 2 366.259 2.102 10 0 FEAELP