smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C)O[C@H](C(N)=O)C2)CC1 ZINC000625736699 374715302 /nfs/dbraw/zinc/71/53/02/374715302.db2.gz OGIUWAXANFWGOJ-AVGNSLFASA-N 2 2 312.414 -0.886 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C)O[C@H](C(N)=O)C2)CC1 ZINC000625736699 374715305 /nfs/dbraw/zinc/71/53/05/374715305.db2.gz OGIUWAXANFWGOJ-AVGNSLFASA-N 2 2 312.414 -0.886 10 0 DBAELP C[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000121632350 379648927 /nfs/dbraw/zinc/64/89/27/379648927.db2.gz PMWQUGFVMJDLRO-GXTWGEPZSA-N 2 2 302.419 -0.681 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)CC1 ZINC000177263334 379724782 /nfs/dbraw/zinc/72/47/82/379724782.db2.gz OGIUWAXANFWGOJ-AGIUHOORSA-N 2 2 312.414 -0.886 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)CC1 ZINC000177263334 379724789 /nfs/dbraw/zinc/72/47/89/379724789.db2.gz OGIUWAXANFWGOJ-AGIUHOORSA-N 2 2 312.414 -0.886 10 0 DBAELP O=C1C[C@@H]([NH2+]CC2CCOCC2)CN1CC[NH+]1CCOCC1 ZINC000178907219 379735904 /nfs/dbraw/zinc/73/59/04/379735904.db2.gz FEFLMNSHDIYXNI-OAHLLOKOSA-N 2 2 311.426 -0.064 10 0 DBAELP O=S(=O)(CC[NH+]1CCCC1)NC[C@H]1C[N@@H+](C2CC2)CCO1 ZINC000192674833 379794404 /nfs/dbraw/zinc/79/44/04/379794404.db2.gz MSLKJLPROKBGKL-AWEZNQCLSA-N 2 2 317.455 -0.135 10 0 DBAELP O=S(=O)(CC[NH+]1CCCC1)NC[C@H]1C[N@H+](C2CC2)CCO1 ZINC000192674833 379794409 /nfs/dbraw/zinc/79/44/09/379794409.db2.gz MSLKJLPROKBGKL-AWEZNQCLSA-N 2 2 317.455 -0.135 10 0 DBAELP C[NH+](C)C[C@H]1CN(C(=O)NCC[NH+]2CCOCC2)CCO1 ZINC000117022283 379882381 /nfs/dbraw/zinc/88/23/81/379882381.db2.gz SFCJSCBHOXLAOW-ZDUSSCGKSA-N 2 2 300.403 -0.709 10 0 DBAELP COCC[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000247215166 380102214 /nfs/dbraw/zinc/10/22/14/380102214.db2.gz UYAVYQLBNXJUFQ-KGLIPLIRSA-N 2 2 314.430 -0.321 10 0 DBAELP COCC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000247215166 380102223 /nfs/dbraw/zinc/10/22/23/380102223.db2.gz UYAVYQLBNXJUFQ-KGLIPLIRSA-N 2 2 314.430 -0.321 10 0 DBAELP COCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000247215166 380102227 /nfs/dbraw/zinc/10/22/27/380102227.db2.gz UYAVYQLBNXJUFQ-KGLIPLIRSA-N 2 2 314.430 -0.321 10 0 DBAELP COCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000247215166 380102229 /nfs/dbraw/zinc/10/22/29/380102229.db2.gz UYAVYQLBNXJUFQ-KGLIPLIRSA-N 2 2 314.430 -0.321 10 0 DBAELP C[C@@H]1C(=O)NCCC[NH+]1C/C=C/C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249103579 380112988 /nfs/dbraw/zinc/11/29/88/380112988.db2.gz WRBIDYJUZGWQDL-LSMGEYOZSA-N 2 2 308.426 -0.037 10 0 DBAELP C[C@@H]1C(=O)NCCC[NH+]1C/C=C/C[N@H+]1CCCNC(=O)[C@H]1C ZINC000249103579 380112992 /nfs/dbraw/zinc/11/29/92/380112992.db2.gz WRBIDYJUZGWQDL-LSMGEYOZSA-N 2 2 308.426 -0.037 10 0 DBAELP O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)[C@@H]1COCC[NH2+]1 ZINC000263290287 380214177 /nfs/dbraw/zinc/21/41/77/380214177.db2.gz WBNISAWQKGREBY-GXTWGEPZSA-N 2 2 315.439 -0.701 10 0 DBAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000261725302 381620572 /nfs/dbraw/zinc/62/05/72/381620572.db2.gz MFOLHXINNAXMTJ-HOTGVXAUSA-N 2 2 319.405 -0.142 10 0 DBAELP CC[C@@H](O)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000174074121 392625828 /nfs/dbraw/zinc/62/58/28/392625828.db2.gz XYJYIJGWBJLFMS-HUUCEWRRSA-N 2 2 301.431 -0.932 10 0 DBAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000181713244 393488000 /nfs/dbraw/zinc/48/80/00/393488000.db2.gz VSQOGXCLXYQHRK-KGLIPLIRSA-N 2 2 314.430 -0.585 10 0 DBAELP CC[C@@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000181713244 393488005 /nfs/dbraw/zinc/48/80/05/393488005.db2.gz VSQOGXCLXYQHRK-KGLIPLIRSA-N 2 2 314.430 -0.585 10 0 DBAELP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662745946 412198099 /nfs/dbraw/zinc/19/80/99/412198099.db2.gz XRJQOBQYDRDRCN-CVEARBPZSA-N 2 2 320.437 -0.108 10 0 DBAELP COC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662745946 412198103 /nfs/dbraw/zinc/19/81/03/412198103.db2.gz XRJQOBQYDRDRCN-CVEARBPZSA-N 2 2 320.437 -0.108 10 0 DBAELP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000332825774 544547753 /nfs/dbraw/zinc/54/77/53/544547753.db2.gz UYXGCGSGMSBSJQ-KBPBESRZSA-N 2 2 313.446 -0.748 10 0 DBAELP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000332825774 544547757 /nfs/dbraw/zinc/54/77/57/544547757.db2.gz UYXGCGSGMSBSJQ-KBPBESRZSA-N 2 2 313.446 -0.748 10 0 DBAELP O=C(NCc1ccc(N2CCOCC2)[nH+]c1)[C@@H]1COCC[NH2+]1 ZINC000262332562 544657666 /nfs/dbraw/zinc/65/76/66/544657666.db2.gz SPSBASHXOXTYKK-ZDUSSCGKSA-N 2 2 306.366 -0.477 10 0 DBAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000248644600 290096749 /nfs/dbraw/zinc/09/67/49/290096749.db2.gz SAXGADIWYOUQFE-RDBSUJKOSA-N 2 2 314.430 -0.587 10 0 DBAELP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000248644600 290096752 /nfs/dbraw/zinc/09/67/52/290096752.db2.gz SAXGADIWYOUQFE-RDBSUJKOSA-N 2 2 314.430 -0.587 10 0 DBAELP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000248644600 290096755 /nfs/dbraw/zinc/09/67/55/290096755.db2.gz SAXGADIWYOUQFE-RDBSUJKOSA-N 2 2 314.430 -0.587 10 0 DBAELP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000248644600 290096758 /nfs/dbraw/zinc/09/67/58/290096758.db2.gz SAXGADIWYOUQFE-RDBSUJKOSA-N 2 2 314.430 -0.587 10 0 DBAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000105845584 519686105 /nfs/dbraw/zinc/68/61/05/519686105.db2.gz NPHJJLBTNNEOMQ-OAHLLOKOSA-N 2 2 312.458 -0.199 10 0 DBAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000105845584 519686106 /nfs/dbraw/zinc/68/61/06/519686106.db2.gz NPHJJLBTNNEOMQ-OAHLLOKOSA-N 2 2 312.458 -0.199 10 0 DBAELP CN1C(=O)C[C@@H](N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000157255125 523702116 /nfs/dbraw/zinc/70/21/16/523702116.db2.gz HAADAELZBQVPPN-IZGVIRRGSA-N 2 2 320.437 -0.014 10 0 DBAELP CN1C(=O)C[C@@H](N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000157255125 523702120 /nfs/dbraw/zinc/70/21/20/523702120.db2.gz HAADAELZBQVPPN-IZGVIRRGSA-N 2 2 320.437 -0.014 10 0 DBAELP CN1C(=O)C[C@@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1=O ZINC000157255125 523702127 /nfs/dbraw/zinc/70/21/27/523702127.db2.gz HAADAELZBQVPPN-IZGVIRRGSA-N 2 2 320.437 -0.014 10 0 DBAELP CN1C(=O)C[C@@H]([NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1=O ZINC000157255125 523702137 /nfs/dbraw/zinc/70/21/37/523702137.db2.gz HAADAELZBQVPPN-IZGVIRRGSA-N 2 2 320.437 -0.014 10 0 DBAELP C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000333014807 524803381 /nfs/dbraw/zinc/80/33/81/524803381.db2.gz BVQPAQGCHQYVJP-GFCCVEGCSA-N 2 2 322.413 -0.389 10 0 DBAELP C[C@@H]1CN(C(=O)CN2CN=NC2=O)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000333014807 524803388 /nfs/dbraw/zinc/80/33/88/524803388.db2.gz BVQPAQGCHQYVJP-GFCCVEGCSA-N 2 2 322.413 -0.389 10 0 DBAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921631 284347248 /nfs/dbraw/zinc/34/72/48/284347248.db2.gz CSBYKKWEANDSNZ-KBPBESRZSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921631 284347251 /nfs/dbraw/zinc/34/72/51/284347251.db2.gz CSBYKKWEANDSNZ-KBPBESRZSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921631 284347253 /nfs/dbraw/zinc/34/72/53/284347253.db2.gz CSBYKKWEANDSNZ-KBPBESRZSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921631 284347257 /nfs/dbraw/zinc/34/72/57/284347257.db2.gz CSBYKKWEANDSNZ-KBPBESRZSA-N 2 2 310.442 -0.016 10 0 DBAELP C[NH+]1CCN(NC(=O)C[C@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000017032009 182069772 /nfs/dbraw/zinc/06/97/72/182069772.db2.gz VAQPNLLHJNAETC-RWMBFGLXSA-N 2 2 309.414 -0.946 10 0 DBAELP C[NH+]1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccco3)[C@@H]2O)CC1 ZINC000022922160 182340902 /nfs/dbraw/zinc/34/09/02/182340902.db2.gz ZKUOBFQUDBZSAQ-DGXTUMSLSA-N 2 2 323.393 -0.530 10 0 DBAELP C[C@H]([C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[NH+]1CCOCC1 ZINC000105278968 378622778 /nfs/dbraw/zinc/62/27/78/378622778.db2.gz VYVUQGSCEKYHQS-BFHYXJOUSA-N 2 2 314.430 -0.275 10 0 DBAELP C[C@H]([C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCOCC1 ZINC000105278968 378622781 /nfs/dbraw/zinc/62/27/81/378622781.db2.gz VYVUQGSCEKYHQS-BFHYXJOUSA-N 2 2 314.430 -0.275 10 0 DBAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000104783345 378623000 /nfs/dbraw/zinc/62/30/00/378623000.db2.gz XXGOQFWIZAYERS-OLZOCXBDSA-N 2 2 300.403 -0.663 10 0 DBAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000104783345 378623002 /nfs/dbraw/zinc/62/30/02/378623002.db2.gz XXGOQFWIZAYERS-OLZOCXBDSA-N 2 2 300.403 -0.663 10 0 DBAELP CN1CC[NH+]([C@H]2CCCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000125107635 379891628 /nfs/dbraw/zinc/89/16/28/379891628.db2.gz IAXMLFCQESQLTB-JKSUJKDBSA-N 2 2 324.469 -0.055 10 0 DBAELP CN1CC[NH+]([C@H]2CCCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000125107635 379891642 /nfs/dbraw/zinc/89/16/42/379891642.db2.gz IAXMLFCQESQLTB-JKSUJKDBSA-N 2 2 324.469 -0.055 10 0 DBAELP C[NH+]1CCN([C@H]2CCCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000125107635 379891650 /nfs/dbraw/zinc/89/16/50/379891650.db2.gz IAXMLFCQESQLTB-JKSUJKDBSA-N 2 2 324.469 -0.055 10 0 DBAELP C[NH+]1CCN([C@H]2CCCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000125107635 379891654 /nfs/dbraw/zinc/89/16/54/379891654.db2.gz IAXMLFCQESQLTB-JKSUJKDBSA-N 2 2 324.469 -0.055 10 0 DBAELP COCC[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000247215156 380103671 /nfs/dbraw/zinc/10/36/71/380103671.db2.gz UYAVYQLBNXJUFQ-KBPBESRZSA-N 2 2 314.430 -0.321 10 0 DBAELP COCC[N@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000247215156 380103674 /nfs/dbraw/zinc/10/36/74/380103674.db2.gz UYAVYQLBNXJUFQ-KBPBESRZSA-N 2 2 314.430 -0.321 10 0 DBAELP COCC[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCO2)C[C@@H]1C ZINC000247215156 380103679 /nfs/dbraw/zinc/10/36/79/380103679.db2.gz UYAVYQLBNXJUFQ-KBPBESRZSA-N 2 2 314.430 -0.321 10 0 DBAELP COCC[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)C[C@@H]1C ZINC000247215156 380103682 /nfs/dbraw/zinc/10/36/82/380103682.db2.gz UYAVYQLBNXJUFQ-KBPBESRZSA-N 2 2 314.430 -0.321 10 0 DBAELP CCC[C@@H](C(=O)N(C)C[C@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000162436291 380208246 /nfs/dbraw/zinc/20/82/46/380208246.db2.gz YEZYBWYUEJCYTK-KBPBESRZSA-N 2 2 301.431 -0.132 10 0 DBAELP COCC[N@@H+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1C ZINC000188762117 285047576 /nfs/dbraw/zinc/04/75/76/285047576.db2.gz BDUXCPICAFKRFG-LLVKDONJSA-N 2 2 307.398 -0.152 10 0 DBAELP COCC[N@H+]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C[C@H]1C ZINC000188762117 285047577 /nfs/dbraw/zinc/04/75/77/285047577.db2.gz BDUXCPICAFKRFG-LLVKDONJSA-N 2 2 307.398 -0.152 10 0 DBAELP OCC[N@@H+]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000131553724 285259882 /nfs/dbraw/zinc/25/98/82/285259882.db2.gz DMFVYEWGRMLRBR-CQSZACIVSA-N 2 2 321.425 -0.058 10 0 DBAELP OCC[N@H+]1CCCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000131553724 285259883 /nfs/dbraw/zinc/25/98/83/285259883.db2.gz DMFVYEWGRMLRBR-CQSZACIVSA-N 2 2 321.425 -0.058 10 0 DBAELP C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C[C@H]21 ZINC000301669334 393413695 /nfs/dbraw/zinc/41/36/95/393413695.db2.gz PTRCEIOGMXVADG-MGPQQGTHSA-N 2 2 319.409 -0.043 10 0 DBAELP C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H]4CO)[nH+]cn3)C[C@H]21 ZINC000301669334 393413699 /nfs/dbraw/zinc/41/36/99/393413699.db2.gz PTRCEIOGMXVADG-MGPQQGTHSA-N 2 2 319.409 -0.043 10 0 DBAELP C[N@@H+]1CCc2ncnc(NC[C@](C)(O)C[NH+]3CCOCC3)c2C1 ZINC000363263656 412310453 /nfs/dbraw/zinc/31/04/53/412310453.db2.gz ZMCZKZBAXAFMRU-INIZCTEOSA-N 2 2 321.425 -0.040 10 0 DBAELP C[N@H+]1CCc2ncnc(NC[C@](C)(O)C[NH+]3CCOCC3)c2C1 ZINC000363263656 412310454 /nfs/dbraw/zinc/31/04/54/412310454.db2.gz ZMCZKZBAXAFMRU-INIZCTEOSA-N 2 2 321.425 -0.040 10 0 DBAELP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000262107401 544652848 /nfs/dbraw/zinc/65/28/48/544652848.db2.gz JMBSXBIIZOWIHP-JSGCOSHPSA-N 2 2 312.414 -0.981 10 0 DBAELP COCC1(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000262488167 544660308 /nfs/dbraw/zinc/66/03/08/544660308.db2.gz KRHHRKOPHRSBEB-CQSZACIVSA-N 2 2 311.426 -0.064 10 0 DBAELP CN(C)c1nc(N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc[nH+]1 ZINC000333865475 522362268 /nfs/dbraw/zinc/36/22/68/522362268.db2.gz ATHXGINDOXJJFF-LBPRGKRZSA-N 2 2 304.398 -0.057 10 0 DBAELP COCC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000105902865 523853905 /nfs/dbraw/zinc/85/39/05/523853905.db2.gz NYQOQDQULITFIT-LSDHHAIUSA-N 2 2 301.431 -0.668 10 0 DBAELP COCC[N@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000105902865 523853908 /nfs/dbraw/zinc/85/39/08/523853908.db2.gz NYQOQDQULITFIT-LSDHHAIUSA-N 2 2 301.431 -0.668 10 0 DBAELP COCC[N@@H+]1CCN(C[C@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000105902862 523854360 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HHHYWEMZRZMTHL-RWMBFGLXSA-N 2 2 316.409 -0.072 10 0 DBAELP C[C@H]1C[N@H+](CCO)CCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000333086326 524598522 /nfs/dbraw/zinc/59/85/22/524598522.db2.gz NDSWPJHVVJVEMW-ZDUSSCGKSA-N 2 2 305.444 -0.590 10 0 DBAELP C[C@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000333086326 524598529 /nfs/dbraw/zinc/59/85/29/524598529.db2.gz NDSWPJHVVJVEMW-ZDUSSCGKSA-N 2 2 305.444 -0.590 10 0 DBAELP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2nc(N)nc(N)n2)CC1 ZINC000105862331 525789033 /nfs/dbraw/zinc/78/90/33/525789033.db2.gz TUDLCSQOCWOINY-SNVBAGLBSA-N 2 2 309.418 -0.439 10 0 DBAELP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(N)nc(N)n2)CC1 ZINC000105862331 525789042 /nfs/dbraw/zinc/78/90/42/525789042.db2.gz TUDLCSQOCWOINY-SNVBAGLBSA-N 2 2 309.418 -0.439 10 0 DBAELP O=C(CCNC(=O)C1C[NH2+]C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000263236763 526497725 /nfs/dbraw/zinc/49/77/25/526497725.db2.gz BRFNXSFLZYARQM-UHFFFAOYSA-N 2 2 317.393 -0.544 10 0 DBAELP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000333286198 526622697 /nfs/dbraw/zinc/62/26/97/526622697.db2.gz NIRAXCAZLVNTQX-CABCVRRESA-N 2 2 311.426 -0.018 10 0 DBAELP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000333286198 526622702 /nfs/dbraw/zinc/62/27/02/526622702.db2.gz NIRAXCAZLVNTQX-CABCVRRESA-N 2 2 311.426 -0.018 10 0 DBAELP O=C(C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCNC(=O)C1 ZINC000156361722 526806777 /nfs/dbraw/zinc/80/67/77/526806777.db2.gz IZHDXKIXIQKLKA-ZDUSSCGKSA-N 2 2 304.350 -0.507 10 0 DBAELP O=C(C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1)N1CCNC(=O)C1 ZINC000156361722 526806782 /nfs/dbraw/zinc/80/67/82/526806782.db2.gz IZHDXKIXIQKLKA-ZDUSSCGKSA-N 2 2 304.350 -0.507 10 0 DBAELP Cn1cc(C(=O)NC[C@H]2C[N@H+](C)CCO2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333469068 527165010 /nfs/dbraw/zinc/16/50/10/527165010.db2.gz HVIPCQGRYLQWOX-STQMWFEESA-N 2 2 321.425 -0.053 10 0 DBAELP Cn1cc(C(=O)NC[C@H]2C[N@@H+](C)CCO2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333469068 527165018 /nfs/dbraw/zinc/16/50/18/527165018.db2.gz HVIPCQGRYLQWOX-STQMWFEESA-N 2 2 321.425 -0.053 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173940633 529130271 /nfs/dbraw/zinc/13/02/71/529130271.db2.gz AQWVTWCEJXGYPB-CVEARBPZSA-N 2 2 324.469 -0.055 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173940633 529130273 /nfs/dbraw/zinc/13/02/73/529130273.db2.gz AQWVTWCEJXGYPB-CVEARBPZSA-N 2 2 324.469 -0.055 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173940642 529132312 /nfs/dbraw/zinc/13/23/12/529132312.db2.gz AQWVTWCEJXGYPB-HOTGVXAUSA-N 2 2 324.469 -0.055 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CCOCC3)C2)CC1 ZINC000173940642 529132314 /nfs/dbraw/zinc/13/23/14/529132314.db2.gz AQWVTWCEJXGYPB-HOTGVXAUSA-N 2 2 324.469 -0.055 10 0 DBAELP COC[C@H]([NH3+])C(=O)N1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262280618 671411967 /nfs/dbraw/zinc/41/19/67/671411967.db2.gz LSCGUGQCKCKNMW-LSDHHAIUSA-N 2 2 307.394 -0.162 10 0 DBAELP Cn1cc[nH+]c1CN(CCO)C(=O)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2 ZINC000072121733 282740899 /nfs/dbraw/zinc/74/08/99/282740899.db2.gz SMYKSRGRQBTMHR-ZDUSSCGKSA-N 3 2 321.425 -0.527 10 0 DBAELP COc1cccc(C[NH2+]CC(N)=O)c1OCC[NH+]1CCOCC1 ZINC000055255531 374597676 /nfs/dbraw/zinc/59/76/76/374597676.db2.gz OEHXHQBGDNZOCG-UHFFFAOYSA-N 2 2 323.393 -0.019 10 0 DBAELP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000638276895 377867772 /nfs/dbraw/zinc/86/77/72/377867772.db2.gz QNAUDPFQVFZHBC-JKSUJKDBSA-N 2 2 320.437 -0.108 10 0 DBAELP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000638276895 377867777 /nfs/dbraw/zinc/86/77/77/377867777.db2.gz QNAUDPFQVFZHBC-JKSUJKDBSA-N 2 2 320.437 -0.108 10 0 DBAELP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000638276895 377867783 /nfs/dbraw/zinc/86/77/83/377867783.db2.gz QNAUDPFQVFZHBC-JKSUJKDBSA-N 2 2 320.437 -0.108 10 0 DBAELP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000638276895 377867787 /nfs/dbraw/zinc/86/77/87/377867787.db2.gz QNAUDPFQVFZHBC-JKSUJKDBSA-N 2 2 320.437 -0.108 10 0 DBAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000116278130 379522024 /nfs/dbraw/zinc/52/20/24/379522024.db2.gz AKHOOEFKCQDPBU-JKSUJKDBSA-N 2 2 324.469 -0.056 10 0 DBAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000116278130 379522033 /nfs/dbraw/zinc/52/20/33/379522033.db2.gz AKHOOEFKCQDPBU-JKSUJKDBSA-N 2 2 324.469 -0.056 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000121082919 379635617 /nfs/dbraw/zinc/63/56/17/379635617.db2.gz PILJXTSCUQMDSX-CQSZACIVSA-N 2 2 306.414 -0.236 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](Cn3cncn3)C2)CC1 ZINC000121082919 379635621 /nfs/dbraw/zinc/63/56/21/379635621.db2.gz PILJXTSCUQMDSX-CQSZACIVSA-N 2 2 306.414 -0.236 10 0 DBAELP COC[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000171973326 379696913 /nfs/dbraw/zinc/69/69/13/379696913.db2.gz APKHRKLXNKADOB-JKSUJKDBSA-N 2 2 315.458 -0.280 10 0 DBAELP COC[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC000171973326 379696917 /nfs/dbraw/zinc/69/69/17/379696917.db2.gz APKHRKLXNKADOB-JKSUJKDBSA-N 2 2 315.458 -0.280 10 0 DBAELP COCCC[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000176438184 379718940 /nfs/dbraw/zinc/71/89/40/379718940.db2.gz PWPQOSMMILRCDN-ZDUSSCGKSA-N 2 2 302.419 -0.416 10 0 DBAELP COCCC[N@@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000176438184 379718947 /nfs/dbraw/zinc/71/89/47/379718947.db2.gz PWPQOSMMILRCDN-ZDUSSCGKSA-N 2 2 302.419 -0.416 10 0 DBAELP COCCC[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000176438184 379718956 /nfs/dbraw/zinc/71/89/56/379718956.db2.gz PWPQOSMMILRCDN-ZDUSSCGKSA-N 2 2 302.419 -0.416 10 0 DBAELP COCCC[NH+](C)CCNC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000176438184 379718959 /nfs/dbraw/zinc/71/89/59/379718959.db2.gz PWPQOSMMILRCDN-ZDUSSCGKSA-N 2 2 302.419 -0.416 10 0 DBAELP C[C@H]1C[N@@H+](C2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000178984515 379737260 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COCC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000247186497 380101449 /nfs/dbraw/zinc/10/14/49/380101449.db2.gz NYQOQDQULITFIT-CABCVRRESA-N 2 2 301.431 -0.668 10 0 DBAELP COCC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@H]1C ZINC000247186497 380101451 /nfs/dbraw/zinc/10/14/51/380101451.db2.gz NYQOQDQULITFIT-CABCVRRESA-N 2 2 301.431 -0.668 10 0 DBAELP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)CN2CCCC2=O)CC1 ZINC000328666684 544423810 /nfs/dbraw/zinc/42/38/10/544423810.db2.gz KMQIEGDCMHWJNR-ZDUSSCGKSA-N 2 2 307.398 -0.475 10 0 DBAELP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329489082 544483133 /nfs/dbraw/zinc/48/31/33/544483133.db2.gz HIIQYCMESHBUMC-CYBMUJFWSA-N 2 2 307.398 0.248 10 0 DBAELP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000329489082 544483138 /nfs/dbraw/zinc/48/31/38/544483138.db2.gz HIIQYCMESHBUMC-CYBMUJFWSA-N 2 2 307.398 0.248 10 0 DBAELP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1ccccc1C[NH+]1CCOCC1 ZINC000262080221 544653013 /nfs/dbraw/zinc/65/30/13/544653013.db2.gz 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CN1CCN(c2cc(N3CC[C@]4(CC[NH2+]C4)C3)nc[nH+]2)CC1=O ZINC000333921618 536419619 /nfs/dbraw/zinc/41/96/19/536419619.db2.gz QUOHNLWIODXTDX-INIZCTEOSA-N 2 2 316.409 -0.055 10 0 DBAELP NC(=[NH2+])NCCC[N@H+](CCNC(N)=[NH2+])CCc1ccccc1 ZINC000026395613 374747000 /nfs/dbraw/zinc/74/70/00/374747000.db2.gz PPKLHQRCTLBXKS-UHFFFAOYSA-N 3 2 305.430 -0.113 10 0 DBAELP NC(=[NH2+])NCCC[N@@H+](CCNC(N)=[NH2+])CCc1ccccc1 ZINC000026395613 374747009 /nfs/dbraw/zinc/74/70/09/374747009.db2.gz PPKLHQRCTLBXKS-UHFFFAOYSA-N 3 2 305.430 -0.113 10 0 DBAELP [NH3+]CCC[NH2+]CCCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+] ZINC000014721976 375117077 /nfs/dbraw/zinc/11/70/77/375117077.db2.gz RJHJECDDXKOIBN-UHFFFAOYSA-N 6 2 316.538 -0.397 10 0 DBAELP [NH3+]CCC[NH2+][C@@H](CCC[NH+](CCC[NH3+])CCC[NH3+])C(=O)[O-] ZINC000038296771 375550904 /nfs/dbraw/zinc/55/09/04/375550904.db2.gz CBEFEEGIAIVVEY-ZDUSSCGKSA-N 4 2 303.451 -0.842 10 0 DBAELP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000638276892 377868846 /nfs/dbraw/zinc/86/88/46/377868846.db2.gz QNAUDPFQVFZHBC-HOTGVXAUSA-N 2 2 320.437 -0.108 10 0 DBAELP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[NH+](C)CCO1 ZINC000638276892 377868853 /nfs/dbraw/zinc/86/88/53/377868853.db2.gz QNAUDPFQVFZHBC-HOTGVXAUSA-N 2 2 320.437 -0.108 10 0 DBAELP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000638276892 377868860 /nfs/dbraw/zinc/86/88/60/377868860.db2.gz QNAUDPFQVFZHBC-HOTGVXAUSA-N 2 2 320.437 -0.108 10 0 DBAELP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000638276892 377868871 /nfs/dbraw/zinc/86/88/71/377868871.db2.gz QNAUDPFQVFZHBC-HOTGVXAUSA-N 2 2 320.437 -0.108 10 0 DBAELP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000105278971 378622876 /nfs/dbraw/zinc/62/28/76/378622876.db2.gz VYVUQGSCEKYHQS-MELADBBJSA-N 2 2 314.430 -0.275 10 0 DBAELP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCO1)[C@H](C)[NH+]1CCOCC1 ZINC000105278971 378622878 /nfs/dbraw/zinc/62/28/78/378622878.db2.gz VYVUQGSCEKYHQS-MELADBBJSA-N 2 2 314.430 -0.275 10 0 DBAELP COCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+](C)CCO2)CC1 ZINC000171663010 379694631 /nfs/dbraw/zinc/69/46/31/379694631.db2.gz RUAAOUFADQJOGB-AWEZNQCLSA-N 2 2 314.430 -0.273 10 0 DBAELP COCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000171663010 379694635 /nfs/dbraw/zinc/69/46/35/379694635.db2.gz RUAAOUFADQJOGB-AWEZNQCLSA-N 2 2 314.430 -0.273 10 0 DBAELP COCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000171663006 379695373 /nfs/dbraw/zinc/69/53/73/379695373.db2.gz RUAAOUFADQJOGB-CQSZACIVSA-N 2 2 314.430 -0.273 10 0 DBAELP COCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000171663006 379695381 /nfs/dbraw/zinc/69/53/81/379695381.db2.gz RUAAOUFADQJOGB-CQSZACIVSA-N 2 2 314.430 -0.273 10 0 DBAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3C(N)=O)cn2)CC1 ZINC000179581645 379742143 /nfs/dbraw/zinc/74/21/43/379742143.db2.gz XVORYENTINSHLT-ZDUSSCGKSA-N 2 2 304.398 -0.322 10 0 DBAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3C(N)=O)cn2)CC1 ZINC000179581645 379742147 /nfs/dbraw/zinc/74/21/47/379742147.db2.gz XVORYENTINSHLT-ZDUSSCGKSA-N 2 2 304.398 -0.322 10 0 DBAELP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1N1CCOCC1 ZINC000180536508 379745299 /nfs/dbraw/zinc/74/52/99/379745299.db2.gz KQRYHGKSUYWIEE-GJZGRUSLSA-N 2 2 310.442 -0.587 10 0 DBAELP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1N1CCOCC1 ZINC000180536508 379745302 /nfs/dbraw/zinc/74/53/02/379745302.db2.gz KQRYHGKSUYWIEE-GJZGRUSLSA-N 2 2 310.442 -0.587 10 0 DBAELP COC(=O)Cn1cc(-c2c(N)[nH+]cnc2N2CC[NH2+]CC2)cn1 ZINC000584645185 379863571 /nfs/dbraw/zinc/86/35/71/379863571.db2.gz SQDXDBTWTBBYAN-UHFFFAOYSA-N 2 2 317.353 -0.495 10 0 DBAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC000246791195 380099345 /nfs/dbraw/zinc/09/93/45/380099345.db2.gz AKHOOEFKCQDPBU-HOTGVXAUSA-N 2 2 324.469 -0.056 10 0 DBAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC000246791195 380099350 /nfs/dbraw/zinc/09/93/50/380099350.db2.gz AKHOOEFKCQDPBU-HOTGVXAUSA-N 2 2 324.469 -0.056 10 0 DBAELP CCCCOC[C@H](O)C[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000195142885 380708698 /nfs/dbraw/zinc/70/86/98/380708698.db2.gz XIDNNIFFHYWGES-CQSZACIVSA-N 2 2 301.431 -0.130 10 0 DBAELP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000396360378 380979805 /nfs/dbraw/zinc/97/98/05/380979805.db2.gz IYCGHJMYQWRJRY-JSGCOSHPSA-N 2 2 304.394 -0.078 10 0 DBAELP C[C@H]1CN(C(=O)[C@@H]([NH3+])CC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000396360378 380979813 /nfs/dbraw/zinc/97/98/13/380979813.db2.gz IYCGHJMYQWRJRY-JSGCOSHPSA-N 2 2 304.394 -0.078 10 0 DBAELP C[C@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000396360376 380980173 /nfs/dbraw/zinc/98/01/73/380980173.db2.gz IYCGHJMYQWRJRY-GXTWGEPZSA-N 2 2 304.394 -0.078 10 0 DBAELP C[C@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000396360376 380980181 /nfs/dbraw/zinc/98/01/81/380980181.db2.gz IYCGHJMYQWRJRY-GXTWGEPZSA-N 2 2 304.394 -0.078 10 0 DBAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC000178199299 392673909 /nfs/dbraw/zinc/67/39/09/392673909.db2.gz HJAFAMPWHHAUGZ-LSDHHAIUSA-N 2 2 310.442 -0.398 10 0 DBAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC000178199299 392673919 /nfs/dbraw/zinc/67/39/19/392673919.db2.gz HJAFAMPWHHAUGZ-LSDHHAIUSA-N 2 2 310.442 -0.398 10 0 DBAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC000178199286 392673978 /nfs/dbraw/zinc/67/39/78/392673978.db2.gz HJAFAMPWHHAUGZ-HUUCEWRRSA-N 2 2 310.442 -0.398 10 0 DBAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCNC3=O)CC2)C1 ZINC000178199286 392673984 /nfs/dbraw/zinc/67/39/84/392673984.db2.gz HJAFAMPWHHAUGZ-HUUCEWRRSA-N 2 2 310.442 -0.398 10 0 DBAELP CC[C@H](O)C[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000174074111 392625503 /nfs/dbraw/zinc/62/55/03/392625503.db2.gz XYJYIJGWBJLFMS-LSDHHAIUSA-N 2 2 301.431 -0.932 10 0 DBAELP C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000332749779 544546609 /nfs/dbraw/zinc/54/66/09/544546609.db2.gz NJWFCVFQKZXXME-STQMWFEESA-N 2 2 317.455 -0.767 10 0 DBAELP CCOCC[NH+]1CCN(C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000105902774 519919647 /nfs/dbraw/zinc/91/96/47/519919647.db2.gz UYNCDYHQYIACQZ-HNNXBMFYSA-N 2 2 301.431 -0.666 10 0 DBAELP C[NH2+][C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)c1cnn(C)c1 ZINC000262464865 522434594 /nfs/dbraw/zinc/43/45/94/522434594.db2.gz XRMFNHLLVVPXHK-SCRDCRAPSA-N 2 2 309.414 -0.094 10 0 DBAELP CC[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000105902649 523446186 /nfs/dbraw/zinc/44/61/86/523446186.db2.gz CICXKYARMMYDMP-BZUAXINKSA-N 2 2 315.458 -0.544 10 0 DBAELP CC[C@@H]1CN(C[C@H](O)C[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000105902649 523446194 /nfs/dbraw/zinc/44/61/94/523446194.db2.gz CICXKYARMMYDMP-BZUAXINKSA-N 2 2 315.458 -0.544 10 0 DBAELP CN1CCN(c2cc(N3CC[C@@H]4[NH2+]CC[C@@H]4C3)[nH+]cn2)CC1=O ZINC000333890049 523923429 /nfs/dbraw/zinc/92/34/29/523923429.db2.gz GTKBKEVKCCVMIE-OLZOCXBDSA-N 2 2 316.409 -0.057 10 0 DBAELP CN1CCN(c2cc(N3CC[C@@H]4[NH2+]CC[C@@H]4C3)nc[nH+]2)CC1=O ZINC000333890049 523923432 /nfs/dbraw/zinc/92/34/32/523923432.db2.gz GTKBKEVKCCVMIE-OLZOCXBDSA-N 2 2 316.409 -0.057 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](NC(=O)NC)C2)CC1 ZINC000408254888 535638233 /nfs/dbraw/zinc/63/82/33/535638233.db2.gz FXIXDWXZHOJRMC-STQMWFEESA-N 2 2 311.430 -0.458 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](NC(=O)NC)C2)CC1 ZINC000408254888 535638239 /nfs/dbraw/zinc/63/82/39/535638239.db2.gz FXIXDWXZHOJRMC-STQMWFEESA-N 2 2 311.430 -0.458 10 0 DBAELP COC[C@@H]([NH3+])C(=O)N1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262280612 664434067 /nfs/dbraw/zinc/43/40/67/664434067.db2.gz LSCGUGQCKCKNMW-CABCVRRESA-N 2 2 307.394 -0.162 10 0 DBAELP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000245435160 284347393 /nfs/dbraw/zinc/34/73/93/284347393.db2.gz CSBYKKWEANDSNZ-UONOGXRCSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000245435160 284347394 /nfs/dbraw/zinc/34/73/94/284347394.db2.gz CSBYKKWEANDSNZ-UONOGXRCSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000245435160 284347395 /nfs/dbraw/zinc/34/73/95/284347395.db2.gz CSBYKKWEANDSNZ-UONOGXRCSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C(N)=O)C2)C1 ZINC000245435160 284347396 /nfs/dbraw/zinc/34/73/96/284347396.db2.gz CSBYKKWEANDSNZ-UONOGXRCSA-N 2 2 310.442 -0.016 10 0 DBAELP C[NH+]1CCN(NC(=O)C[C@@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000017032007 182070063 /nfs/dbraw/zinc/07/00/63/182070063.db2.gz VAQPNLLHJNAETC-AVGNSLFASA-N 2 2 309.414 -0.946 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@H](C(N)=O)O[C@@H](C)C2)CC1 ZINC000625736700 374716042 /nfs/dbraw/zinc/71/60/42/374716042.db2.gz OGIUWAXANFWGOJ-RWMBFGLXSA-N 2 2 312.414 -0.886 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@H](C(N)=O)O[C@@H](C)C2)CC1 ZINC000625736700 374716047 /nfs/dbraw/zinc/71/60/47/374716047.db2.gz OGIUWAXANFWGOJ-RWMBFGLXSA-N 2 2 312.414 -0.886 10 0 DBAELP [NH3+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH2+]CCC[NH3+] ZINC000014721980 375433114 /nfs/dbraw/zinc/43/31/14/375433114.db2.gz UJMCAHHGTKIXAU-UHFFFAOYSA-N 6 2 302.511 -0.787 10 0 DBAELP CC(C)C[N@@H+]1CCN2C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)[C@H]2C1 ZINC000014752460 375485030 /nfs/dbraw/zinc/48/50/30/375485030.db2.gz SCTUNFDESWTRSN-QWHCGFSZSA-N 2 2 305.382 -0.381 10 0 DBAELP CC(C)C[N@H+]1CCN2C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)[C@H]2C1 ZINC000014752460 375485037 /nfs/dbraw/zinc/48/50/37/375485037.db2.gz SCTUNFDESWTRSN-QWHCGFSZSA-N 2 2 305.382 -0.381 10 0 DBAELP COCCC[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000176438163 379719178 /nfs/dbraw/zinc/71/91/78/379719178.db2.gz PWPQOSMMILRCDN-CYBMUJFWSA-N 2 2 302.419 -0.416 10 0 DBAELP COCCC[N@@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000176438163 379719181 /nfs/dbraw/zinc/71/91/81/379719181.db2.gz PWPQOSMMILRCDN-CYBMUJFWSA-N 2 2 302.419 -0.416 10 0 DBAELP COCCC[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000176438163 379719184 /nfs/dbraw/zinc/71/91/84/379719184.db2.gz PWPQOSMMILRCDN-CYBMUJFWSA-N 2 2 302.419 -0.416 10 0 DBAELP COCCC[NH+](C)CCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000176438163 379719191 /nfs/dbraw/zinc/71/91/91/379719191.db2.gz PWPQOSMMILRCDN-CYBMUJFWSA-N 2 2 302.419 -0.416 10 0 DBAELP C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000177502628 379724346 /nfs/dbraw/zinc/72/43/46/379724346.db2.gz WTPLUWUTALKNJT-ZDUSSCGKSA-N 2 2 314.430 -0.585 10 0 DBAELP C[N@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000177502628 379724353 /nfs/dbraw/zinc/72/43/53/379724353.db2.gz WTPLUWUTALKNJT-ZDUSSCGKSA-N 2 2 314.430 -0.585 10 0 DBAELP O=S(=O)(CC[NH+]1CCCC1)NC[C@@H]1C[N@@H+](C2CC2)CCO1 ZINC000192674823 379794476 /nfs/dbraw/zinc/79/44/76/379794476.db2.gz MSLKJLPROKBGKL-CQSZACIVSA-N 2 2 317.455 -0.135 10 0 DBAELP O=S(=O)(CC[NH+]1CCCC1)NC[C@@H]1C[N@H+](C2CC2)CCO1 ZINC000192674823 379794479 /nfs/dbraw/zinc/79/44/79/379794479.db2.gz MSLKJLPROKBGKL-CQSZACIVSA-N 2 2 317.455 -0.135 10 0 DBAELP O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188901712 379775604 /nfs/dbraw/zinc/77/56/04/379775604.db2.gz MANBKAAXYMXLJT-NSHDSACASA-N 2 2 305.382 -0.352 10 0 DBAELP O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188901712 379775614 /nfs/dbraw/zinc/77/56/14/379775614.db2.gz MANBKAAXYMXLJT-NSHDSACASA-N 2 2 305.382 -0.352 10 0 DBAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](CCOCCO)CC2)C1 ZINC000132960041 379913334 /nfs/dbraw/zinc/91/33/34/379913334.db2.gz VCNSNAKSRNVOSB-MRXNPFEDSA-N 2 2 315.458 -0.278 10 0 DBAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]2C1 ZINC000193618933 379926916 /nfs/dbraw/zinc/92/69/16/379926916.db2.gz KOHDSASLLGGBMM-DTORHVGOSA-N 2 2 308.304 -0.132 10 0 DBAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]2C1 ZINC000193618933 379926924 /nfs/dbraw/zinc/92/69/24/379926924.db2.gz KOHDSASLLGGBMM-DTORHVGOSA-N 2 2 308.304 -0.132 10 0 DBAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]2C1 ZINC000193618933 379926931 /nfs/dbraw/zinc/92/69/31/379926931.db2.gz KOHDSASLLGGBMM-DTORHVGOSA-N 2 2 308.304 -0.132 10 0 DBAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)NC(=O)NCC(F)(F)F)C[C@@H]2C1 ZINC000193618933 379926935 /nfs/dbraw/zinc/92/69/35/379926935.db2.gz KOHDSASLLGGBMM-DTORHVGOSA-N 2 2 308.304 -0.132 10 0 DBAELP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C[C@@H](C)O ZINC000247014889 380101644 /nfs/dbraw/zinc/10/16/44/380101644.db2.gz CICXKYARMMYDMP-OAGGEKHMSA-N 2 2 315.458 -0.544 10 0 DBAELP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C[C@@H](C)O ZINC000247014889 380101649 /nfs/dbraw/zinc/10/16/49/380101649.db2.gz CICXKYARMMYDMP-OAGGEKHMSA-N 2 2 315.458 -0.544 10 0 DBAELP CCOCC[N@@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000247068519 380101916 /nfs/dbraw/zinc/10/19/16/380101916.db2.gz GJAZWWMIEUWYQY-HOTGVXAUSA-N 2 2 315.458 -0.278 10 0 DBAELP CCOCC[N@H+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)C[C@@H]1C ZINC000247068519 380101921 /nfs/dbraw/zinc/10/19/21/380101921.db2.gz GJAZWWMIEUWYQY-HOTGVXAUSA-N 2 2 315.458 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ZINC000179474397 545036164 /nfs/dbraw/zinc/03/61/64/545036164.db2.gz SPKBDLAAKBVFQM-OAHLLOKOSA-N 2 2 313.442 -0.084 10 0 DBAELP CN(C)[C@@H](C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21)c1c[nH+]cn1C ZINC000285056115 289271734 /nfs/dbraw/zinc/27/17/34/289271734.db2.gz QOPPMZXXDCWIJZ-QLFBSQMISA-N 2 2 321.425 -0.046 10 0 DBAELP CN(C)[C@@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@H]21)c1c[nH+]cn1C ZINC000285056115 289271736 /nfs/dbraw/zinc/27/17/36/289271736.db2.gz QOPPMZXXDCWIJZ-QLFBSQMISA-N 2 2 321.425 -0.046 10 0 DBAELP CN(C(=O)NCC[N@@H+]1CCOCC1(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333411161 523869479 /nfs/dbraw/zinc/86/94/79/523869479.db2.gz RFIWIVCGSHBMOU-RYUDHWBXSA-N 2 2 300.403 -0.929 10 0 DBAELP CN(C(=O)NCC[N@H+]1CCOCC1(C)C)[C@H]1C[NH2+]C[C@@H]1O ZINC000333411161 523869483 /nfs/dbraw/zinc/86/94/83/523869483.db2.gz RFIWIVCGSHBMOU-RYUDHWBXSA-N 2 2 300.403 -0.929 10 0 DBAELP CN(C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333362740 523878601 /nfs/dbraw/zinc/87/86/01/523878601.db2.gz LJIWRSGXGOEJCX-AGIUHOORSA-N 2 2 305.382 -0.366 10 0 DBAELP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000333286201 526622951 /nfs/dbraw/zinc/62/29/51/526622951.db2.gz NIRAXCAZLVNTQX-HUUCEWRRSA-N 2 2 311.426 -0.018 10 0 DBAELP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000333286201 526622960 /nfs/dbraw/zinc/62/29/60/526622960.db2.gz NIRAXCAZLVNTQX-HUUCEWRRSA-N 2 2 311.426 -0.018 10 0 DBAELP O=C1CCCN1C[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247032726 526977380 /nfs/dbraw/zinc/97/73/80/526977380.db2.gz VAQZMQMZVKTRHM-LSDHHAIUSA-N 2 2 311.426 -0.376 10 0 DBAELP O=C1CCCN1C[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247032726 526977389 /nfs/dbraw/zinc/97/73/89/526977389.db2.gz VAQZMQMZVKTRHM-LSDHHAIUSA-N 2 2 311.426 -0.376 10 0 DBAELP CN(C)[C@H](C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21)c1c[nH+]cn1C ZINC000285056104 282232749 /nfs/dbraw/zinc/23/27/49/282232749.db2.gz QOPPMZXXDCWIJZ-KKUMJFAQSA-N 2 2 321.425 -0.046 10 0 DBAELP CN(C)[C@H](C(=O)N1CCO[C@H]2CC[N@@H+](C)C[C@@H]21)c1c[nH+]cn1C ZINC000285056104 282232750 /nfs/dbraw/zinc/23/27/50/282232750.db2.gz QOPPMZXXDCWIJZ-KKUMJFAQSA-N 2 2 321.425 -0.046 10 0 DBAELP C[C@H](C(=O)N1CCN(c2[nH+]ccn2C)CC1)[NH+]1CCOCC1 ZINC000408408108 138217923 /nfs/dbraw/zinc/21/79/23/138217923.db2.gz XPQLAOQEHSTJQS-CYBMUJFWSA-N 2 2 307.398 -0.211 10 0 DBAELP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3C[N@H+](C)CCO3)C[C@H]21 ZINC000332751226 374438683 /nfs/dbraw/zinc/43/86/83/374438683.db2.gz BOYFZXSZKSRHGF-MGPQQGTHSA-N 2 2 312.414 -0.569 10 0 DBAELP C[NH+]1CCO[C@@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)C[C@H]21 ZINC000332751226 374438692 /nfs/dbraw/zinc/43/86/92/374438692.db2.gz BOYFZXSZKSRHGF-MGPQQGTHSA-N 2 2 312.414 -0.569 10 0 DBAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)C1 ZINC000332751226 374438703 /nfs/dbraw/zinc/43/87/03/374438703.db2.gz BOYFZXSZKSRHGF-MGPQQGTHSA-N 2 2 312.414 -0.569 10 0 DBAELP C[NH+]1CCO[C@H](CNC(=O)N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)C1 ZINC000332751226 374438708 /nfs/dbraw/zinc/43/87/08/374438708.db2.gz BOYFZXSZKSRHGF-MGPQQGTHSA-N 2 2 312.414 -0.569 10 0 DBAELP C[C@@H](CNC(=O)NC[C@H]1C[N@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000159149717 376111815 /nfs/dbraw/zinc/11/18/15/376111815.db2.gz APPLJIMMHAMITJ-KBPBESRZSA-N 2 2 314.430 -0.416 10 0 DBAELP C[C@@H](CNC(=O)NC[C@H]1C[N@@H+](C)CCO1)C[NH+]1CCOCC1 ZINC000159149717 376111825 /nfs/dbraw/zinc/11/18/25/376111825.db2.gz APPLJIMMHAMITJ-KBPBESRZSA-N 2 2 314.430 -0.416 10 0 DBAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000312571248 378583879 /nfs/dbraw/zinc/58/38/79/378583879.db2.gz LWKYXRREIZAQSE-CHWSQXEVSA-N 2 2 303.428 -0.525 10 0 DBAELP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000312571248 378583886 /nfs/dbraw/zinc/58/38/86/378583886.db2.gz LWKYXRREIZAQSE-CHWSQXEVSA-N 2 2 303.428 -0.525 10 0 DBAELP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2C[NH+](C)CCO2)C[C@@H]1C ZINC000248644594 378572785 /nfs/dbraw/zinc/57/27/85/378572785.db2.gz 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/nfs/dbraw/zinc/87/35/97/379873597.db2.gz IUMHJZPNTAOIAC-ZDUSSCGKSA-N 2 2 300.403 -0.709 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000093172345 380463570 /nfs/dbraw/zinc/46/35/70/380463570.db2.gz ZKZILYGTNVROPL-UHFFFAOYSA-N 2 2 318.425 -0.237 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@H+]2CCCN(c3cccnn3)CC2)CC1 ZINC000093172345 380463575 /nfs/dbraw/zinc/46/35/75/380463575.db2.gz ZKZILYGTNVROPL-UHFFFAOYSA-N 2 2 318.425 -0.237 10 0 DBAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC000245675931 381568815 /nfs/dbraw/zinc/56/88/15/381568815.db2.gz HJAFAMPWHHAUGZ-CABCVRRESA-N 2 2 310.442 -0.398 10 0 DBAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC000245675931 381568820 /nfs/dbraw/zinc/56/88/20/381568820.db2.gz HJAFAMPWHHAUGZ-CABCVRRESA-N 2 2 310.442 -0.398 10 0 DBAELP O=C(NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000261725301 381621200 /nfs/dbraw/zinc/62/12/00/381621200.db2.gz MFOLHXINNAXMTJ-CVEARBPZSA-N 2 2 319.405 -0.142 10 0 DBAELP 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C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CNC(=O)C3)CC2)CC1 ZINC000050797559 523767277 /nfs/dbraw/zinc/76/72/77/523767277.db2.gz SPGCPKBPJUJBFX-LBPRGKRZSA-N 2 2 308.426 -0.203 10 0 DBAELP C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000105070231 523937995 /nfs/dbraw/zinc/93/79/95/523937995.db2.gz CTFBAFZZKMPHOY-ZDUSSCGKSA-N 2 2 300.403 -0.662 10 0 DBAELP C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCOCC2)C1 ZINC000105070231 523937997 /nfs/dbraw/zinc/93/79/97/523937997.db2.gz CTFBAFZZKMPHOY-ZDUSSCGKSA-N 2 2 300.403 -0.662 10 0 DBAELP C[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)[NH+]1CCOCC1 ZINC000895678322 671364120 /nfs/dbraw/zinc/36/41/20/671364120.db2.gz TVUSWKUHRXPSBF-CYBMUJFWSA-N 2 2 311.426 -0.066 10 0 DBAELP C[NH+](C)[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000408241763 138211866 /nfs/dbraw/zinc/21/18/66/138211866.db2.gz LXHWTEBQGCSSGR-ZDUSSCGKSA-N 2 2 305.444 -0.326 10 0 DBAELP C[NH+](C)[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000408241762 138212326 /nfs/dbraw/zinc/21/23/26/138212326.db2.gz LXHWTEBQGCSSGR-CYBMUJFWSA-N 2 2 305.444 -0.326 10 0 DBAELP CC(C)([NH3+])C(=O)N1CC[N@H+](Cc2cccnc2N)C[C@@H](O)C1 ZINC000097446960 374296248 /nfs/dbraw/zinc/29/62/48/374296248.db2.gz VMMMSEHQMWFLIV-GFCCVEGCSA-N 2 2 307.398 -0.594 10 0 DBAELP CC(C)([NH3+])C(=O)N1CC[N@@H+](Cc2cccnc2N)C[C@@H](O)C1 ZINC000097446960 374296254 /nfs/dbraw/zinc/29/62/54/374296254.db2.gz VMMMSEHQMWFLIV-GFCCVEGCSA-N 2 2 307.398 -0.594 10 0 DBAELP O=C(C[N@@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1)N1CCCC1 ZINC000164515794 378153802 /nfs/dbraw/zinc/15/38/02/378153802.db2.gz OEEOTGBLLOFXFZ-AWEZNQCLSA-N 2 2 324.425 -0.869 10 0 DBAELP O=C(C[N@H+]1CCCN(C(=O)[C@@H]2COCC[NH2+]2)CC1)N1CCCC1 ZINC000164515794 378153806 /nfs/dbraw/zinc/15/38/06/378153806.db2.gz OEEOTGBLLOFXFZ-AWEZNQCLSA-N 2 2 324.425 -0.869 10 0 DBAELP O=C(C[N@@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1)N1CCCC1 ZINC000164515911 378153104 /nfs/dbraw/zinc/15/31/04/378153104.db2.gz OEEOTGBLLOFXFZ-CQSZACIVSA-N 2 2 324.425 -0.869 10 0 DBAELP O=C(C[N@H+]1CCCN(C(=O)[C@H]2COCC[NH2+]2)CC1)N1CCCC1 ZINC000164515911 378153110 /nfs/dbraw/zinc/15/31/10/378153110.db2.gz OEEOTGBLLOFXFZ-CQSZACIVSA-N 2 2 324.425 -0.869 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000328957915 378197106 /nfs/dbraw/zinc/19/71/06/378197106.db2.gz JPPMGIRVVZLHRO-KFWWJZLASA-N 2 2 311.426 -0.378 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000328957915 378197109 /nfs/dbraw/zinc/19/71/09/378197109.db2.gz JPPMGIRVVZLHRO-KFWWJZLASA-N 2 2 311.426 -0.378 10 0 DBAELP C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C[C@@H]21 ZINC000301669333 378601102 /nfs/dbraw/zinc/60/11/02/378601102.db2.gz PTRCEIOGMXVADG-MELADBBJSA-N 2 2 319.409 -0.043 10 0 DBAELP C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H]4CO)[nH+]cn3)C[C@@H]21 ZINC000301669333 378601112 /nfs/dbraw/zinc/60/11/12/378601112.db2.gz PTRCEIOGMXVADG-MELADBBJSA-N 2 2 319.409 -0.043 10 0 DBAELP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3C(N)=O)cn2)CC1 ZINC000179581632 379741741 /nfs/dbraw/zinc/74/17/41/379741741.db2.gz XVORYENTINSHLT-CYBMUJFWSA-N 2 2 304.398 -0.322 10 0 DBAELP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3C(N)=O)cn2)CC1 ZINC000179581632 379741755 /nfs/dbraw/zinc/74/17/55/379741755.db2.gz XVORYENTINSHLT-CYBMUJFWSA-N 2 2 304.398 -0.322 10 0 DBAELP C[N@@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000104776872 379874740 /nfs/dbraw/zinc/87/47/40/379874740.db2.gz WBVXYTXOXDMNIJ-CYBMUJFWSA-N 2 2 314.430 -0.273 10 0 DBAELP C[N@H+]1CCO[C@H](CNC(=O)NCC(C)(C)[NH+]2CCOCC2)C1 ZINC000104776872 379874744 /nfs/dbraw/zinc/87/47/44/379874744.db2.gz WBVXYTXOXDMNIJ-CYBMUJFWSA-N 2 2 314.430 -0.273 10 0 DBAELP CN1CC[NH+]([C@H]2CCCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000125107228 379891899 /nfs/dbraw/zinc/89/18/99/379891899.db2.gz IAXMLFCQESQLTB-HOTGVXAUSA-N 2 2 324.469 -0.055 10 0 DBAELP CN1CC[NH+]([C@H]2CCCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000125107228 379891907 /nfs/dbraw/zinc/89/19/07/379891907.db2.gz IAXMLFCQESQLTB-HOTGVXAUSA-N 2 2 324.469 -0.055 10 0 DBAELP C[NH+]1CCN([C@H]2CCCCN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000125107228 379891913 /nfs/dbraw/zinc/89/19/13/379891913.db2.gz IAXMLFCQESQLTB-HOTGVXAUSA-N 2 2 324.469 -0.055 10 0 DBAELP C[NH+]1CCN([C@H]2CCCCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000125107228 379891918 /nfs/dbraw/zinc/89/19/18/379891918.db2.gz IAXMLFCQESQLTB-HOTGVXAUSA-N 2 2 324.469 -0.055 10 0 DBAELP CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000125107420 379893354 /nfs/dbraw/zinc/89/33/54/379893354.db2.gz IAXMLFCQESQLTB-HZPDHXFCSA-N 2 2 324.469 -0.055 10 0 DBAELP CN1CC[NH+]([C@@H]2CCCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000125107420 379893367 /nfs/dbraw/zinc/89/33/67/379893367.db2.gz IAXMLFCQESQLTB-HZPDHXFCSA-N 2 2 324.469 -0.055 10 0 DBAELP C[NH+]1CCN([C@@H]2CCCCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)CC1 ZINC000125107420 379893379 /nfs/dbraw/zinc/89/33/79/379893379.db2.gz IAXMLFCQESQLTB-HZPDHXFCSA-N 2 2 324.469 -0.055 10 0 DBAELP C[NH+]1CCN([C@@H]2CCCCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000125107420 379893385 /nfs/dbraw/zinc/89/33/85/379893385.db2.gz IAXMLFCQESQLTB-HZPDHXFCSA-N 2 2 324.469 -0.055 10 0 DBAELP C[C@@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1N1CCOCC1 ZINC000245535343 379937119 /nfs/dbraw/zinc/93/71/19/379937119.db2.gz KQRYHGKSUYWIEE-HUUCEWRRSA-N 2 2 310.442 -0.587 10 0 DBAELP C[C@@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1N1CCOCC1 ZINC000245535343 379937122 /nfs/dbraw/zinc/93/71/22/379937122.db2.gz KQRYHGKSUYWIEE-HUUCEWRRSA-N 2 2 310.442 -0.587 10 0 DBAELP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000396360385 380979521 /nfs/dbraw/zinc/97/95/21/380979521.db2.gz IYCGHJMYQWRJRY-TZMCWYRMSA-N 2 2 304.394 -0.078 10 0 DBAELP C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000396360385 380979528 /nfs/dbraw/zinc/97/95/28/380979528.db2.gz IYCGHJMYQWRJRY-TZMCWYRMSA-N 2 2 304.394 -0.078 10 0 DBAELP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](C)CCO2)CCO1 ZINC000172134196 382667527 /nfs/dbraw/zinc/66/75/27/382667527.db2.gz LZHQJHVUMUBKCG-QWHCGFSZSA-N 2 2 300.403 -0.711 10 0 DBAELP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+](C)CCO2)CCO1 ZINC000172134196 382667530 /nfs/dbraw/zinc/66/75/30/382667530.db2.gz LZHQJHVUMUBKCG-QWHCGFSZSA-N 2 2 300.403 -0.711 10 0 DBAELP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000247656311 285024516 /nfs/dbraw/zinc/02/45/16/285024516.db2.gz YOKIBSLFHTYYRK-ZIAGYGMSSA-N 2 2 314.430 -0.273 10 0 DBAELP COCC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000247656311 285024517 /nfs/dbraw/zinc/02/45/17/285024517.db2.gz YOKIBSLFHTYYRK-ZIAGYGMSSA-N 2 2 314.430 -0.273 10 0 DBAELP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000247656311 285024518 /nfs/dbraw/zinc/02/45/18/285024518.db2.gz YOKIBSLFHTYYRK-ZIAGYGMSSA-N 2 2 314.430 -0.273 10 0 DBAELP COCC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000247656311 285024519 /nfs/dbraw/zinc/02/45/19/285024519.db2.gz YOKIBSLFHTYYRK-ZIAGYGMSSA-N 2 2 314.430 -0.273 10 0 DBAELP CO[C@@H]1C[C@@H](CO)[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000284438755 131081145 /nfs/dbraw/zinc/08/11/45/131081145.db2.gz ACFQCNJTVQAGJB-LSDHHAIUSA-N 2 2 321.425 -0.190 10 0 DBAELP CO[C@@H]1C[C@@H](CO)[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000284438755 131081147 /nfs/dbraw/zinc/08/11/47/131081147.db2.gz ACFQCNJTVQAGJB-LSDHHAIUSA-N 2 2 321.425 -0.190 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CC1 ZINC000328824694 544453294 /nfs/dbraw/zinc/45/32/94/544453294.db2.gz PTZICQYJTXJIBO-KFWWJZLASA-N 2 2 311.426 -0.378 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@H]2O)CC1 ZINC000328824694 544453297 /nfs/dbraw/zinc/45/32/97/544453297.db2.gz PTZICQYJTXJIBO-KFWWJZLASA-N 2 2 311.426 -0.378 10 0 DBAELP O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1C[NH+]1CCOCC1 ZINC000262080222 544652997 /nfs/dbraw/zinc/65/29/97/544652997.db2.gz CIHCDZWRXKRPKO-ZBFHGGJFSA-N 2 2 319.405 -0.171 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000408254885 279346439 /nfs/dbraw/zinc/34/64/39/279346439.db2.gz FXIXDWXZHOJRMC-QWHCGFSZSA-N 2 2 311.430 -0.458 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000408254885 279346440 /nfs/dbraw/zinc/34/64/40/279346440.db2.gz FXIXDWXZHOJRMC-QWHCGFSZSA-N 2 2 311.430 -0.458 10 0 DBAELP C[C@H](O)C[NH+]1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000192909177 290115577 /nfs/dbraw/zinc/11/55/77/290115577.db2.gz ZWNAHZAJECXJAH-ZDUSSCGKSA-N 2 2 305.444 -0.590 10 0 DBAELP COCC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000105147291 523580863 /nfs/dbraw/zinc/58/08/63/523580863.db2.gz IVABIYZCVBTWRV-CYBMUJFWSA-N 2 2 302.419 -0.416 10 0 DBAELP COCC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000105147291 523580868 /nfs/dbraw/zinc/58/08/68/523580868.db2.gz IVABIYZCVBTWRV-CYBMUJFWSA-N 2 2 302.419 -0.416 10 0 DBAELP COCC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105147291 523580876 /nfs/dbraw/zinc/58/08/76/523580876.db2.gz IVABIYZCVBTWRV-CYBMUJFWSA-N 2 2 302.419 -0.416 10 0 DBAELP COCC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105147291 523580886 /nfs/dbraw/zinc/58/08/86/523580886.db2.gz IVABIYZCVBTWRV-CYBMUJFWSA-N 2 2 302.419 -0.416 10 0 DBAELP C[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+]1CCOCC1 ZINC000121632501 524416940 /nfs/dbraw/zinc/41/69/40/524416940.db2.gz PMWQUGFVMJDLRO-TZMCWYRMSA-N 2 2 302.419 -0.681 10 0 DBAELP C[C@@H]1CN(c2cc(N3CCN(C)C(=O)C3)[nH+]cn2)[C@H](C)C[NH2+]1 ZINC000333484781 525061618 /nfs/dbraw/zinc/06/16/18/525061618.db2.gz FZZAXXXVLQQECX-VXGBXAGGSA-N 2 2 304.398 -0.058 10 0 DBAELP O=C1CCCN1C[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247032711 526975584 /nfs/dbraw/zinc/97/55/84/526975584.db2.gz VAQZMQMZVKTRHM-GJZGRUSLSA-N 2 2 311.426 -0.376 10 0 DBAELP O=C1CCCN1C[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000247032711 526975594 /nfs/dbraw/zinc/97/55/94/526975594.db2.gz VAQZMQMZVKTRHM-GJZGRUSLSA-N 2 2 311.426 -0.376 10 0 DBAELP Cn1cc(C(=O)NC[C@@H]2C[N@H+](C)CCO2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333469067 527165703 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CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000116278128 379521947 /nfs/dbraw/zinc/52/19/47/379521947.db2.gz AKHOOEFKCQDPBU-HZPDHXFCSA-N 2 2 324.469 -0.056 10 0 DBAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)C1 ZINC000116278128 379521963 /nfs/dbraw/zinc/52/19/63/379521963.db2.gz AKHOOEFKCQDPBU-HZPDHXFCSA-N 2 2 324.469 -0.056 10 0 DBAELP CCOCC[N@@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000120997370 379630875 /nfs/dbraw/zinc/63/08/75/379630875.db2.gz MZIMOZUYAOMUEX-HNNXBMFYSA-N 2 2 312.458 -0.197 10 0 DBAELP CCOCC[N@H+]1CCN(CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000120997370 379630883 /nfs/dbraw/zinc/63/08/83/379630883.db2.gz MZIMOZUYAOMUEX-HNNXBMFYSA-N 2 2 312.458 -0.197 10 0 DBAELP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)C[NH+](C)C)CC2)C1 ZINC000171594623 379695053 /nfs/dbraw/zinc/69/50/53/379695053.db2.gz HYUTUGZRBKFNNO-HNNXBMFYSA-N 2 2 312.458 -0.199 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C)O[C@H](C(N)=O)C2)CC1 ZINC000177263320 379725192 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DBAELP C[NH+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000638276888 377867870 /nfs/dbraw/zinc/86/78/70/377867870.db2.gz QNAUDPFQVFZHBC-CVEARBPZSA-N 2 2 320.437 -0.108 10 0 DBAELP CC(C)N1C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CC[NH+](C)CC3)CC[C@@H]21 ZINC000328976044 378199148 /nfs/dbraw/zinc/19/91/48/378199148.db2.gz QBVIVSUOJLVAOD-KGLIPLIRSA-N 2 2 323.441 -0.159 10 0 DBAELP CC(C)N1C(=O)N[C@@H]2C[N@H+](CC(=O)N3CC[NH+](C)CC3)CC[C@@H]21 ZINC000328976044 378199156 /nfs/dbraw/zinc/19/91/56/378199156.db2.gz QBVIVSUOJLVAOD-KGLIPLIRSA-N 2 2 323.441 -0.159 10 0 DBAELP CC(C)(CNC(=O)CN1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171637954 379693535 /nfs/dbraw/zinc/69/35/35/379693535.db2.gz PMHMFFRFQNATDO-OAHLLOKOSA-N 2 2 324.469 -0.007 10 0 DBAELP CC(C)(CNC(=O)CN1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCOCC1 ZINC000171637954 379693546 /nfs/dbraw/zinc/69/35/46/379693546.db2.gz PMHMFFRFQNATDO-OAHLLOKOSA-N 2 2 324.469 -0.007 10 0 DBAELP COCC[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000172335524 379697190 /nfs/dbraw/zinc/69/71/90/379697190.db2.gz UYAVYQLBNXJUFQ-ZIAGYGMSSA-N 2 2 314.430 -0.321 10 0 DBAELP COCC[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000172335524 379697191 /nfs/dbraw/zinc/69/71/91/379697191.db2.gz UYAVYQLBNXJUFQ-ZIAGYGMSSA-N 2 2 314.430 -0.321 10 0 DBAELP COCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000172335524 379697192 /nfs/dbraw/zinc/69/71/92/379697192.db2.gz UYAVYQLBNXJUFQ-ZIAGYGMSSA-N 2 2 314.430 -0.321 10 0 DBAELP COCC[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000172335524 379697193 /nfs/dbraw/zinc/69/71/93/379697193.db2.gz UYAVYQLBNXJUFQ-ZIAGYGMSSA-N 2 2 314.430 -0.321 10 0 DBAELP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CNC(=O)C3)CC2)CC1 ZINC000050797557 379913858 /nfs/dbraw/zinc/91/38/58/379913858.db2.gz SPGCPKBPJUJBFX-GFCCVEGCSA-N 2 2 308.426 -0.203 10 0 DBAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000105845616 379873089 /nfs/dbraw/zinc/87/30/89/379873089.db2.gz VZYSYZOJUFWHJO-INIZCTEOSA-N 2 2 324.469 -0.008 10 0 DBAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](CC(=O)NC3CC3)CC2)C1 ZINC000105845616 379873096 /nfs/dbraw/zinc/87/30/96/379873096.db2.gz VZYSYZOJUFWHJO-INIZCTEOSA-N 2 2 324.469 -0.008 10 0 DBAELP CN(CCN1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279187 379873363 /nfs/dbraw/zinc/87/33/63/379873363.db2.gz HSFWFNXQAZPLLP-ZDUSSCGKSA-N 2 2 300.403 -0.709 10 0 DBAELP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000105279187 379873383 /nfs/dbraw/zinc/87/33/83/379873383.db2.gz HSFWFNXQAZPLLP-ZDUSSCGKSA-N 2 2 300.403 -0.709 10 0 DBAELP CN(CC[NH+]1CCOCC1)C(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000105279187 379873396 /nfs/dbraw/zinc/87/33/96/379873396.db2.gz HSFWFNXQAZPLLP-ZDUSSCGKSA-N 2 2 300.403 -0.709 10 0 DBAELP CN(CCN1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105279185 379874431 /nfs/dbraw/zinc/87/44/31/379874431.db2.gz HSFWFNXQAZPLLP-CYBMUJFWSA-N 2 2 300.403 -0.709 10 0 DBAELP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000105279185 379874447 /nfs/dbraw/zinc/87/44/47/379874447.db2.gz HSFWFNXQAZPLLP-CYBMUJFWSA-N 2 2 300.403 -0.709 10 0 DBAELP CN(CC[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000105279185 379874454 /nfs/dbraw/zinc/87/44/54/379874454.db2.gz HSFWFNXQAZPLLP-CYBMUJFWSA-N 2 2 300.403 -0.709 10 0 DBAELP COC(=O)CNC(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918536 379874994 /nfs/dbraw/zinc/87/49/94/379874994.db2.gz FBKKDXKQCLAGRM-UHFFFAOYSA-N 2 2 308.382 -0.036 10 0 DBAELP C[C@H]1C[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1N1CCOCC1 ZINC000245535349 379935996 /nfs/dbraw/zinc/93/59/96/379935996.db2.gz KQRYHGKSUYWIEE-LSDHHAIUSA-N 2 2 310.442 -0.587 10 0 DBAELP C[C@H]1C[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@H]1N1CCOCC1 ZINC000245535349 379936004 /nfs/dbraw/zinc/93/60/04/379936004.db2.gz KQRYHGKSUYWIEE-LSDHHAIUSA-N 2 2 310.442 -0.587 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000246794571 380098733 /nfs/dbraw/zinc/09/87/33/380098733.db2.gz AQWVTWCEJXGYPB-JKSUJKDBSA-N 2 2 324.469 -0.055 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CCOCC3)C2)CC1 ZINC000246794571 380098744 /nfs/dbraw/zinc/09/87/44/380098744.db2.gz AQWVTWCEJXGYPB-JKSUJKDBSA-N 2 2 324.469 -0.055 10 0 DBAELP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC000246791168 380099561 /nfs/dbraw/zinc/09/95/61/380099561.db2.gz AKHOOEFKCQDPBU-CVEARBPZSA-N 2 2 324.469 -0.056 10 0 DBAELP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCN(C)C3=O)CC2)C1 ZINC000246791168 380099566 /nfs/dbraw/zinc/09/95/66/380099566.db2.gz AKHOOEFKCQDPBU-CVEARBPZSA-N 2 2 324.469 -0.056 10 0 DBAELP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC000247117365 380105751 /nfs/dbraw/zinc/10/57/51/380105751.db2.gz JJXRKOKVWLXRNW-CVEARBPZSA-N 2 2 315.458 -0.278 10 0 DBAELP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC000247117365 380105769 /nfs/dbraw/zinc/10/57/69/380105769.db2.gz JJXRKOKVWLXRNW-CVEARBPZSA-N 2 2 315.458 -0.278 10 0 DBAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@@H]1COCC[NH2+]1 ZINC000263290288 380214232 /nfs/dbraw/zinc/21/42/32/380214232.db2.gz WBNISAWQKGREBY-JSGCOSHPSA-N 2 2 315.439 -0.701 10 0 DBAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000106561372 382357986 /nfs/dbraw/zinc/35/79/86/382357986.db2.gz IYXGUXUTBWUDLY-KBPBESRZSA-N 2 2 313.446 -0.748 10 0 DBAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000106561372 382357996 /nfs/dbraw/zinc/35/79/96/382357996.db2.gz IYXGUXUTBWUDLY-KBPBESRZSA-N 2 2 313.446 -0.748 10 0 DBAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000106561364 382359143 /nfs/dbraw/zinc/35/91/43/382359143.db2.gz IYXGUXUTBWUDLY-UONOGXRCSA-N 2 2 313.446 -0.748 10 0 DBAELP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000106561364 382359145 /nfs/dbraw/zinc/35/91/45/382359145.db2.gz IYXGUXUTBWUDLY-UONOGXRCSA-N 2 2 313.446 -0.748 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)CC1 ZINC000246502097 382695338 /nfs/dbraw/zinc/69/53/38/382695338.db2.gz OGIUWAXANFWGOJ-FRRDWIJNSA-N 2 2 312.414 -0.886 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C(N)=O)C2)CC1 ZINC000246502097 382695339 /nfs/dbraw/zinc/69/53/39/382695339.db2.gz OGIUWAXANFWGOJ-FRRDWIJNSA-N 2 2 312.414 -0.886 10 0 DBAELP COC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1 ZINC000662745950 412198790 /nfs/dbraw/zinc/19/87/90/412198790.db2.gz XRJQOBQYDRDRCN-HZPDHXFCSA-N 2 2 320.437 -0.108 10 0 DBAELP COC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1Cc1ccccc1 ZINC000662745950 412198792 /nfs/dbraw/zinc/19/87/92/412198792.db2.gz XRJQOBQYDRDRCN-HZPDHXFCSA-N 2 2 320.437 -0.108 10 0 DBAELP C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCOCC1)[NH+]1CCSCC1 ZINC000332749778 544546600 /nfs/dbraw/zinc/54/66/00/544546600.db2.gz NJWFCVFQKZXXME-QWHCGFSZSA-N 2 2 317.455 -0.767 10 0 DBAELP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1cccc(C[NH+]2CCOCC2)c1 ZINC000262295752 544657488 /nfs/dbraw/zinc/65/74/88/544657488.db2.gz PCQAXKMQYGEJMS-JKSUJKDBSA-N 2 2 319.405 -0.171 10 0 DBAELP C[C@@H]1C(=O)NCCC[NH+]1C/C=C\C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000588564340 544689659 /nfs/dbraw/zinc/68/96/59/544689659.db2.gz WRBIDYJUZGWQDL-JHZNUDOXSA-N 2 2 308.426 -0.037 10 0 DBAELP C[C@@H]1C(=O)NCCC[NH+]1C/C=C\C[N@H+]1CCCNC(=O)[C@H]1C ZINC000588564340 544689662 /nfs/dbraw/zinc/68/96/62/544689662.db2.gz WRBIDYJUZGWQDL-JHZNUDOXSA-N 2 2 308.426 -0.037 10 0 DBAELP CC(C)[NH+]1CCC(C(=O)NC[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000179474388 545036313 /nfs/dbraw/zinc/03/63/13/545036313.db2.gz SPKBDLAAKBVFQM-HNNXBMFYSA-N 2 2 313.442 -0.084 10 0 DBAELP CCOCC[NH+]1CCN(C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000105902777 519920588 /nfs/dbraw/zinc/92/05/88/519920588.db2.gz UYNCDYHQYIACQZ-OAHLLOKOSA-N 2 2 301.431 -0.666 10 0 DBAELP CN1CCN(c2cc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)[nH+]cn2)CC1=O ZINC000333890387 523924808 /nfs/dbraw/zinc/92/48/08/523924808.db2.gz GTKBKEVKCCVMIE-STQMWFEESA-N 2 2 316.409 -0.057 10 0 DBAELP CN1CCN(c2cc(N3CC[C@@H]4[NH2+]CC[C@H]4C3)nc[nH+]2)CC1=O ZINC000333890387 523924812 /nfs/dbraw/zinc/92/48/12/523924812.db2.gz GTKBKEVKCCVMIE-STQMWFEESA-N 2 2 316.409 -0.057 10 0 DBAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104783341 524354379 /nfs/dbraw/zinc/35/43/79/524354379.db2.gz XXGOQFWIZAYERS-CHWSQXEVSA-N 2 2 300.403 -0.663 10 0 DBAELP C[C@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104783341 524354373 /nfs/dbraw/zinc/35/43/73/524354373.db2.gz XXGOQFWIZAYERS-CHWSQXEVSA-N 2 2 300.403 -0.663 10 0 DBAELP C[C@@H]1C[N@H+](CCO)CCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000333086324 524959950 /nfs/dbraw/zinc/95/99/50/524959950.db2.gz NDSWPJHVVJVEMW-CYBMUJFWSA-N 2 2 305.444 -0.590 10 0 DBAELP C[C@@H]1C[N@@H+](CCO)CCN1S(=O)(=O)CC[NH+]1CCCC1 ZINC000333086324 524959960 /nfs/dbraw/zinc/95/99/60/524959960.db2.gz NDSWPJHVVJVEMW-CYBMUJFWSA-N 2 2 305.444 -0.590 10 0 DBAELP C[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)[NH+]1CCOCC1 ZINC000895678323 671363323 /nfs/dbraw/zinc/36/33/23/671363323.db2.gz TVUSWKUHRXPSBF-ZDUSSCGKSA-N 2 2 311.426 -0.066 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000408254881 138212626 /nfs/dbraw/zinc/21/26/26/138212626.db2.gz FXIXDWXZHOJRMC-CHWSQXEVSA-N 2 2 311.430 -0.458 10 0 DBAELP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000408254881 138212627 /nfs/dbraw/zinc/21/26/27/138212627.db2.gz FXIXDWXZHOJRMC-CHWSQXEVSA-N 2 2 311.430 -0.458 10 0 DBAELP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921645 284353391 /nfs/dbraw/zinc/35/33/91/284353391.db2.gz CSBYKKWEANDSNZ-KGLIPLIRSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921645 284353395 /nfs/dbraw/zinc/35/33/95/284353395.db2.gz CSBYKKWEANDSNZ-KGLIPLIRSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921645 284353399 /nfs/dbraw/zinc/35/33/99/284353399.db2.gz CSBYKKWEANDSNZ-KGLIPLIRSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](C(N)=O)C2)C1 ZINC000173921645 284353402 /nfs/dbraw/zinc/35/34/02/284353402.db2.gz CSBYKKWEANDSNZ-KGLIPLIRSA-N 2 2 310.442 -0.016 10 0 DBAELP CC[NH+]1CCN(C(=O)C[C@H]2[NH2+][C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000017031818 182070031 /nfs/dbraw/zinc/07/00/31/182070031.db2.gz CDHDBNDFVXPHIC-MELADBBJSA-N 2 2 308.426 -0.060 10 0 DBAELP [NH3+]CCCN(CCC[NH3+])CCC[NH+](CCC[NH3+])CCC[NH3+] ZINC000038236954 374493319 /nfs/dbraw/zinc/49/33/19/374493319.db2.gz KCCPOIYPAKWIND-UHFFFAOYSA-N 5 2 302.511 -0.624 10 0 DBAELP NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1 ZINC000013541602 374568683 /nfs/dbraw/zinc/56/86/83/374568683.db2.gz JNVGBHKGTFVETK-STQMWFEESA-N 2 2 317.349 -0.802 10 0 DBAELP CC(C)C(=O)N[C@H]1CCC[N@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170077 375178819 /nfs/dbraw/zinc/17/88/19/375178819.db2.gz IODKCHKPOWBSLV-AWEZNQCLSA-N 2 2 310.442 -0.003 10 0 DBAELP CC(C)C(=O)N[C@H]1CCC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C1 ZINC000093170077 375178825 /nfs/dbraw/zinc/17/88/25/375178825.db2.gz IODKCHKPOWBSLV-AWEZNQCLSA-N 2 2 310.442 -0.003 10 0 DBAELP O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)[C@H]1COCC[NH2+]1 ZINC000263290289 377246993 /nfs/dbraw/zinc/24/69/93/377246993.db2.gz WBNISAWQKGREBY-OCCSQVGLSA-N 2 2 315.439 -0.701 10 0 DBAELP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000638276894 377867730 /nfs/dbraw/zinc/86/77/30/377867730.db2.gz QNAUDPFQVFZHBC-HZPDHXFCSA-N 2 2 320.437 -0.108 10 0 DBAELP C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1C[NH+](C)CCO1 ZINC000638276894 377867737 /nfs/dbraw/zinc/86/77/37/377867737.db2.gz QNAUDPFQVFZHBC-HZPDHXFCSA-N 2 2 320.437 -0.108 10 0 DBAELP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000638276894 377867742 /nfs/dbraw/zinc/86/77/42/377867742.db2.gz QNAUDPFQVFZHBC-HZPDHXFCSA-N 2 2 320.437 -0.108 10 0 DBAELP C[NH+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000638276894 377867749 /nfs/dbraw/zinc/86/77/49/377867749.db2.gz QNAUDPFQVFZHBC-HZPDHXFCSA-N 2 2 320.437 -0.108 10 0 DBAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000312571252 378583810 /nfs/dbraw/zinc/58/38/10/378583810.db2.gz LWKYXRREIZAQSE-STQMWFEESA-N 2 2 303.428 -0.525 10 0 DBAELP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000312571252 378583814 /nfs/dbraw/zinc/58/38/14/378583814.db2.gz LWKYXRREIZAQSE-STQMWFEESA-N 2 2 303.428 -0.525 10 0 DBAELP C[C@@H]1C[N@@H+](C2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000178984505 379736320 /nfs/dbraw/zinc/73/63/20/379736320.db2.gz OEAVMWYHJLMOMF-OAHLLOKOSA-N 2 2 324.469 -0.055 10 0 DBAELP C[C@@H]1C[N@H+](C2CCN(CC(=O)N3CC[NH+](C)CC3)CC2)CCO1 ZINC000178984505 379736328 /nfs/dbraw/zinc/73/63/28/379736328.db2.gz OEAVMWYHJLMOMF-OAHLLOKOSA-N 2 2 324.469 -0.055 10 0 DBAELP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000181334477 379747094 /nfs/dbraw/zinc/74/70/94/379747094.db2.gz VQABLWZIDPUACE-ZIAGYGMSSA-N 2 2 307.398 -0.386 10 0 DBAELP CC[N@H+]1CCO[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000181334477 379747110 /nfs/dbraw/zinc/74/71/10/379747110.db2.gz VQABLWZIDPUACE-ZIAGYGMSSA-N 2 2 307.398 -0.386 10 0 DBAELP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2C[N@H+](C)CCO2)n1 ZINC000173914830 379706906 /nfs/dbraw/zinc/70/69/06/379706906.db2.gz CGIUBENNLOVVFC-LBPRGKRZSA-N 2 2 310.402 -0.103 10 0 DBAELP C[N@H+]1C[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C[C@@H]2C1 ZINC000193632835 379928050 /nfs/dbraw/zinc/92/80/50/379928050.db2.gz GWUBXKICKZZSQK-GASCZTMLSA-N 2 2 320.437 -0.439 10 0 DBAELP C[N@@H+]1C[C@@H]2C[NH+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C[C@@H]2C1 ZINC000193632835 379928060 /nfs/dbraw/zinc/92/80/60/379928060.db2.gz GWUBXKICKZZSQK-GASCZTMLSA-N 2 2 320.437 -0.439 10 0 DBAELP C[NH+]1C[C@@H]2C[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C[C@@H]2C1 ZINC000193632835 379928065 /nfs/dbraw/zinc/92/80/65/379928065.db2.gz GWUBXKICKZZSQK-GASCZTMLSA-N 2 2 320.437 -0.439 10 0 DBAELP C[NH+]1C[C@@H]2C[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C[C@@H]2C1 ZINC000193632835 379928069 /nfs/dbraw/zinc/92/80/69/379928069.db2.gz GWUBXKICKZZSQK-GASCZTMLSA-N 2 2 320.437 -0.439 10 0 DBAELP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000046063725 379899210 /nfs/dbraw/zinc/89/92/10/379899210.db2.gz XROOPBQPWDEINX-CYBMUJFWSA-N 2 2 301.431 -0.132 10 0 DBAELP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@@H+]1C[C@H](C)O ZINC000247014907 380102625 /nfs/dbraw/zinc/10/26/25/380102625.db2.gz CICXKYARMMYDMP-XHSDSOJGSA-N 2 2 315.458 -0.544 10 0 DBAELP CC[C@@H]1CN(C[C@@H](O)C[NH+]2CCOCC2)CC[N@H+]1C[C@H](C)O ZINC000247014907 380102634 /nfs/dbraw/zinc/10/26/34/380102634.db2.gz CICXKYARMMYDMP-XHSDSOJGSA-N 2 2 315.458 -0.544 10 0 DBAELP C[C@H]1CC[N@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000247698748 380107642 /nfs/dbraw/zinc/10/76/42/380107642.db2.gz UHPLNAKEGMMEMU-QWHCGFSZSA-N 2 2 305.382 -0.276 10 0 DBAELP C[C@H]1CC[N@@H+](CC(=O)N2CCNC(=O)C2)C[C@H]1n1cc[nH+]c1 ZINC000247698748 380107648 /nfs/dbraw/zinc/10/76/48/380107648.db2.gz UHPLNAKEGMMEMU-QWHCGFSZSA-N 2 2 305.382 -0.276 10 0 DBAELP CCC[C@@H](C(=O)N(C)C[C@@H](O)C[NH+]1CCOCC1)[NH+](C)C ZINC000162436532 380207593 /nfs/dbraw/zinc/20/75/93/380207593.db2.gz YEZYBWYUEJCYTK-KGLIPLIRSA-N 2 2 301.431 -0.132 10 0 DBAELP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC000245675937 381569259 /nfs/dbraw/zinc/56/92/59/381569259.db2.gz HJAFAMPWHHAUGZ-GJZGRUSLSA-N 2 2 310.442 -0.398 10 0 DBAELP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H]3CCNC3=O)CC2)C1 ZINC000245675937 381569269 /nfs/dbraw/zinc/56/92/69/381569269.db2.gz HJAFAMPWHHAUGZ-GJZGRUSLSA-N 2 2 310.442 -0.398 10 0 DBAELP COCCC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175008838 391930634 /nfs/dbraw/zinc/93/06/34/391930634.db2.gz XHZFIAYURXOAKH-AWEZNQCLSA-N 2 2 316.446 -0.025 10 0 DBAELP COCCC[N@@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCOCC1 ZINC000175008838 391930637 /nfs/dbraw/zinc/93/06/37/391930637.db2.gz XHZFIAYURXOAKH-AWEZNQCLSA-N 2 2 316.446 -0.025 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1 ZINC000328824700 544453327 /nfs/dbraw/zinc/45/33/27/544453327.db2.gz PTZICQYJTXJIBO-ZNMIVQPWSA-N 2 2 311.426 -0.378 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)CC1 ZINC000328824700 544453332 /nfs/dbraw/zinc/45/33/32/544453332.db2.gz PTZICQYJTXJIBO-ZNMIVQPWSA-N 2 2 311.426 -0.378 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 ZINC000328824696 544453347 /nfs/dbraw/zinc/45/33/47/544453347.db2.gz PTZICQYJTXJIBO-RBSFLKMASA-N 2 2 311.426 -0.378 10 0 DBAELP C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2[C@H]2COCC[C@H]2O)CC1 ZINC000328824696 544453349 /nfs/dbraw/zinc/45/33/49/544453349.db2.gz PTZICQYJTXJIBO-RBSFLKMASA-N 2 2 311.426 -0.378 10 0 DBAELP COC[C@H](C)NC(=O)NC(=O)C[N@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261640717 293027526 /nfs/dbraw/zinc/02/75/26/293027526.db2.gz DKSISMLNFAVLHN-QWRGUYRKSA-N 2 2 300.403 -0.094 10 0 DBAELP COC[C@H](C)NC(=O)NC(=O)C[N@@H+]1CC[C@H]([NH3+])C(C)(C)C1 ZINC000261640717 293027522 /nfs/dbraw/zinc/02/75/22/293027522.db2.gz DKSISMLNFAVLHN-QWRGUYRKSA-N 2 2 300.403 -0.094 10 0 DBAELP C[N@H+](CCC(=O)NC(N)=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000105903296 522677420 /nfs/dbraw/zinc/67/74/20/522677420.db2.gz NVYBKGCSMKYLSO-UHFFFAOYSA-N 2 2 322.413 -0.136 10 0 DBAELP C[N@@H+](CCC(=O)NC(N)=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000105903296 522677432 /nfs/dbraw/zinc/67/74/32/522677432.db2.gz NVYBKGCSMKYLSO-UHFFFAOYSA-N 2 2 322.413 -0.136 10 0 DBAELP CN1CCN(c2cc(N3CC[C@H]4[NH2+]CC[C@H]4C3)[nH+]cn2)CC1=O ZINC000333890379 523923038 /nfs/dbraw/zinc/92/30/38/523923038.db2.gz GTKBKEVKCCVMIE-QWHCGFSZSA-N 2 2 316.409 -0.057 10 0 DBAELP CN1CCN(c2cc(N3CC[C@H]4[NH2+]CC[C@H]4C3)nc[nH+]2)CC1=O ZINC000333890379 523923042 /nfs/dbraw/zinc/92/30/42/523923042.db2.gz GTKBKEVKCCVMIE-QWHCGFSZSA-N 2 2 316.409 -0.057 10 0 DBAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000104783340 524627217 /nfs/dbraw/zinc/62/72/17/524627217.db2.gz XXGOQFWIZAYERS-QWHCGFSZSA-N 2 2 300.403 -0.663 10 0 DBAELP C[C@@H](C[NH+]1CCOCC1)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000104783340 524627228 /nfs/dbraw/zinc/62/72/28/524627228.db2.gz XXGOQFWIZAYERS-QWHCGFSZSA-N 2 2 300.403 -0.663 10 0 DBAELP C[C@H]1CN(c2ccc(CNC(=O)[C@H]3COCC[NH2+]3)c[nH+]2)CCO1 ZINC000246296998 524667580 /nfs/dbraw/zinc/66/75/80/524667580.db2.gz NSWYCCMSHUFHJP-GXTWGEPZSA-N 2 2 320.393 -0.089 10 0 DBAELP O=C(C1C[NH2+]C1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000262252129 526312564 /nfs/dbraw/zinc/31/25/64/526312564.db2.gz PTOGYZLWCMAWRL-HNNXBMFYSA-N 2 2 319.405 -0.210 10 0 DBAELP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1COCC[N@@H+]1CC1CCC1 ZINC000333286202 526552939 /nfs/dbraw/zinc/55/29/39/526552939.db2.gz NIRAXCAZLVNTQX-LSDHHAIUSA-N 2 2 311.426 -0.018 10 0 DBAELP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1COCC[N@H+]1CC1CCC1 ZINC000333286202 526552946 /nfs/dbraw/zinc/55/29/46/526552946.db2.gz NIRAXCAZLVNTQX-LSDHHAIUSA-N 2 2 311.426 -0.018 10 0 DBAELP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1COCC[N@@H+]1CC1CCC1 ZINC000333286200 526552985 /nfs/dbraw/zinc/55/29/85/526552985.db2.gz NIRAXCAZLVNTQX-GJZGRUSLSA-N 2 2 311.426 -0.018 10 0 DBAELP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1COCC[N@H+]1CC1CCC1 ZINC000333286200 526552993 /nfs/dbraw/zinc/55/29/93/526552993.db2.gz NIRAXCAZLVNTQX-GJZGRUSLSA-N 2 2 311.426 -0.018 10 0 DBAELP