smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C(CCSC1=[NH+]CCN1)CSC1=NCCN1 ZINC000001628138 355942987 /nfs/dbraw/zinc/94/29/87/355942987.db2.gz CVEDHUHKTQSTLD-UHFFFAOYSA-N 1 3 258.416 1.151 50 0 CDAAHO C[NH+]1CCC(NCCOc2ccccc2F)CC1 ZINC000065488701 357544632 /nfs/dbraw/zinc/54/46/32/357544632.db2.gz NSOWJOSOJRRSOK-UHFFFAOYSA-N 1 3 252.333 1.888 50 0 CDAAHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000245418549 367273995 /nfs/dbraw/zinc/27/39/95/367273995.db2.gz GPAZVHSRZKTBAT-BFHYXJOUSA-N 1 3 267.417 1.447 50 0 CDAAHO OCCCCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000095415791 374918179 /nfs/dbraw/zinc/91/81/79/374918179.db2.gz CHBXBBORLLGZTJ-UHFFFAOYSA-N 1 3 263.385 1.756 50 0 CDAAHO CN1CCC[C@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000095420732 374923190 /nfs/dbraw/zinc/92/31/90/374923190.db2.gz SCZOYHXMZOPBKA-HNNXBMFYSA-N 1 3 251.418 1.545 50 0 CDAAHO CN1CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000095420732 374923196 /nfs/dbraw/zinc/92/31/96/374923196.db2.gz SCZOYHXMZOPBKA-HNNXBMFYSA-N 1 3 251.418 1.545 50 0 CDAAHO CC[N@@H+]1CCC[C@H](N2CCN(C(C)C)[C@@H](C)C2)C1 ZINC000032540700 279317252 /nfs/dbraw/zinc/31/72/52/279317252.db2.gz BCSJDSWAOGLBCU-GJZGRUSLSA-N 1 3 253.434 1.885 50 0 CDAAHO CC[N@H+]1CCC[C@H](N2CCN(C(C)C)[C@@H](C)C2)C1 ZINC000032540700 279317254 /nfs/dbraw/zinc/31/72/54/279317254.db2.gz BCSJDSWAOGLBCU-GJZGRUSLSA-N 1 3 253.434 1.885 50 0 CDAAHO O[C@@]1(C[NH2+]CCOCc2ccc(Cl)cc2)CCCNC1 ZINC000072423352 357834085 /nfs/dbraw/zinc/83/40/85/357834085.db2.gz FGEODQWLUVBJLE-HNNXBMFYSA-N 1 3 298.814 1.561 50 0 CDAAHO CCCN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261718806 359551824 /nfs/dbraw/zinc/55/18/24/359551824.db2.gz LHJSKJRXKJKNPT-OLZOCXBDSA-N 1 3 253.390 1.071 50 0 CDAAHO CN(C)Cc1cccc(C(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)c1 ZINC000426444696 360671585 /nfs/dbraw/zinc/67/15/85/360671585.db2.gz UYPIMLWZXHJNKT-WNKDZCFJSA-N 1 3 299.418 1.571 50 0 CDAAHO CNCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299738466 375198997 /nfs/dbraw/zinc/19/89/97/375198997.db2.gz BDLHYPLZEHHBHX-ZBFHGGJFSA-N 1 3 289.423 1.575 50 0 CDAAHO CNCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000299738466 375199006 /nfs/dbraw/zinc/19/90/06/375199006.db2.gz BDLHYPLZEHHBHX-ZBFHGGJFSA-N 1 3 289.423 1.575 50 0 CDAAHO O=C(CN1CCC2(C1)CC[NH2+]CC2)N1CCCCCC1 ZINC000261662507 391365566 /nfs/dbraw/zinc/36/55/66/391365566.db2.gz FGQPWNXUMWQAOO-UHFFFAOYSA-N 1 3 279.428 1.465 50 0 CDAAHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261718805 140380320 /nfs/dbraw/zinc/38/03/20/140380320.db2.gz LHJSKJRXKJKNPT-CHWSQXEVSA-N 1 3 253.390 1.071 50 0 CDAAHO CCCN1CCC([NH2+]CCN2CCCCC2)CC1 ZINC000022455512 171388097 /nfs/dbraw/zinc/38/80/97/171388097.db2.gz LTHPORCSYRPGLH-UHFFFAOYSA-N 1 3 253.434 1.936 50 0 CDAAHO CCC[NH+]1CCC(NCCN2CCCCC2)CC1 ZINC000022455512 171388098 /nfs/dbraw/zinc/38/80/98/171388098.db2.gz LTHPORCSYRPGLH-UHFFFAOYSA-N 1 3 253.434 1.936 50 0 CDAAHO Cc1cc(C)c(N2C(=N)NC(=[NH2+])NC2(C)C)c(C)c1 ZINC000000071380 280386249 /nfs/dbraw/zinc/38/62/49/280386249.db2.gz GHWJZEDFJMDAHK-UHFFFAOYSA-N 1 3 259.357 1.797 50 0 CDAAHO [NH3+]C1(CC(=O)N2CCN(C3CCCC3)CC2)CCC1 ZINC000094295315 482778152 /nfs/dbraw/zinc/77/81/52/482778152.db2.gz IJPYVQXNLNKVRR-UHFFFAOYSA-N 1 3 265.401 1.345 50 0 CDAAHO O[C@@H]1CCC[N@H+](CCCNc2ccnc3ccccc32)C1 ZINC000828627373 926150881 /nfs/dbraw/zinc/15/08/81/926150881.db2.gz IUWYJYFBIHHISJ-CQSZACIVSA-N 1 3 285.391 1.915 50 0 CDAAHO O[C@@H]1CCC[N@@H+](CCCNc2ccnc3ccccc32)C1 ZINC000828627373 926150889 /nfs/dbraw/zinc/15/08/89/926150889.db2.gz IUWYJYFBIHHISJ-CQSZACIVSA-N 1 3 285.391 1.915 50 0 CDAAHO Cc1cc(C)c2nccc(N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2c1 ZINC001506411657 975153870 /nfs/dbraw/zinc/15/38/70/975153870.db2.gz SRJURRUONYHZJZ-HOTGVXAUSA-N 1 3 285.391 1.963 50 0 CDAAHO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CC1CCN(C)CC1 ZINC000585139269 342216603 /nfs/dbraw/zinc/21/66/03/342216603.db2.gz RKJXABGCXRFPER-HNNXBMFYSA-N 1 3 281.444 1.709 50 0 CDAAHO CNC(=O)CC[C@@H]1CCCC[N@H+]1CC1CCN(C)CC1 ZINC000585139269 342216604 /nfs/dbraw/zinc/21/66/04/342216604.db2.gz RKJXABGCXRFPER-HNNXBMFYSA-N 1 3 281.444 1.709 50 0 CDAAHO CC[C@H](C)[C@H](N)C(=O)NCCNc1cc[nH+]cc1C ZINC000218912348 359070709 /nfs/dbraw/zinc/07/07/09/359070709.db2.gz SFANONMGDHFVJO-GWCFXTLKSA-N 1 3 264.373 1.292 50 0 CDAAHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000251942146 288304326 /nfs/dbraw/zinc/30/43/26/288304326.db2.gz ZRAXDDXGRDMKBG-ZOBORPQBSA-N 1 3 265.401 1.199 50 0 CDAAHO CC1(C)CC(NCCN2CCC[C@@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000828711115 926169588 /nfs/dbraw/zinc/16/95/88/926169588.db2.gz FLZKQWINHCIPKN-CQSZACIVSA-N 1 3 297.487 1.590 50 0 CDAAHO Cc1nncn1CC[N@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001506397506 975148113 /nfs/dbraw/zinc/14/81/13/975148113.db2.gz SHGOLWXLDFAVCQ-CQSZACIVSA-N 1 3 263.389 1.004 50 0 CDAAHO Cc1nncn1CC[N@@H+]1CCC[C@]2(CCN(C)C2)C1 ZINC001506397506 975148115 /nfs/dbraw/zinc/14/81/15/975148115.db2.gz SHGOLWXLDFAVCQ-CQSZACIVSA-N 1 3 263.389 1.004 50 0 CDAAHO CC(C)[NH+]1CCC(N2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000015064845 356405259 /nfs/dbraw/zinc/40/52/59/356405259.db2.gz JDOOZUBUINAGTK-CQSZACIVSA-N 1 3 293.455 1.850 50 0 CDAAHO CC(C)n1cc(NC(=O)[C@@H](N)CCCC[NH+](C)C)cn1 ZINC001529134103 968989187 /nfs/dbraw/zinc/98/91/87/968989187.db2.gz SGALUXVDONLTKJ-ZDUSSCGKSA-N 1 3 281.404 1.462 50 0 CDAAHO C[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N1CCCCCC1 ZINC000096436183 357472403 /nfs/dbraw/zinc/47/24/03/357472403.db2.gz WYSLSWFNDCYREB-ZIAGYGMSSA-N 1 3 267.417 1.319 50 0 CDAAHO C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N1CCCCCC1 ZINC000096436183 357472404 /nfs/dbraw/zinc/47/24/04/357472404.db2.gz WYSLSWFNDCYREB-ZIAGYGMSSA-N 1 3 267.417 1.319 50 0 CDAAHO CCN1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000037644595 369502756 /nfs/dbraw/zinc/50/27/56/369502756.db2.gz FPJPTROESSINCF-CYBMUJFWSA-N 1 3 285.395 1.903 50 0 CDAAHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCOC1 ZINC000097237597 375158227 /nfs/dbraw/zinc/15/82/27/375158227.db2.gz MRGQRPMHIAQTRD-DLBZAZTESA-N 1 3 290.407 1.522 50 0 CDAAHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCOC1 ZINC000097237597 375158237 /nfs/dbraw/zinc/15/82/37/375158237.db2.gz MRGQRPMHIAQTRD-DLBZAZTESA-N 1 3 290.407 1.522 50 0 CDAAHO C[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC000011680943 170432204 /nfs/dbraw/zinc/43/22/04/170432204.db2.gz VOBHXZCDAVEXEY-JSGCOSHPSA-N 1 3 263.385 1.190 50 0 fda CDAAHO CC[C@@H](C(=O)NC[C@@H]1C[NH2+]Cc2ccccc21)N(C)C ZINC000952852328 910408823 /nfs/dbraw/zinc/40/88/23/910408823.db2.gz WAGIHBITGQITOL-ZFWWWQNUSA-N 1 3 275.396 1.330 50 0 CDAAHO Cn1nccc1CN1CCCC2(CC[NH2+]CC2)CC1 ZINC000825661040 925878550 /nfs/dbraw/zinc/87/85/50/925878550.db2.gz YBFPLRDGDJHVMX-UHFFFAOYSA-N 1 3 262.401 1.776 50 0 CDAAHO CN(C)Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2[C@H]2C[NH2+]C[C@H]23)cc1 ZINC000426479136 360674056 /nfs/dbraw/zinc/67/40/56/360674056.db2.gz UDRMCOJPEPDKNJ-WNKDZCFJSA-N 1 3 299.418 1.571 50 0 CDAAHO Cc1ncsc1CCC[NH2+]C[C@@]1(O)CCCNC1 ZINC000077519372 177277747 /nfs/dbraw/zinc/27/77/47/177277747.db2.gz XPNBXNLWIJSTRW-ZDUSSCGKSA-N 1 3 269.414 1.088 50 0 CDAAHO Cc1ncsc1CCCNC[C@@]1(O)CCC[NH2+]C1 ZINC000077519372 177277748 /nfs/dbraw/zinc/27/77/48/177277748.db2.gz XPNBXNLWIJSTRW-ZDUSSCGKSA-N 1 3 269.414 1.088 50 0 CDAAHO CC(C)CN1CCC([NH2+][C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000096491726 277386067 /nfs/dbraw/zinc/38/60/67/277386067.db2.gz VHRMETRVPBVNFD-HOCLYGCPSA-N 1 3 283.460 1.416 50 0 CDAAHO Cc1nncn1CC[N@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001506397505 975147722 /nfs/dbraw/zinc/14/77/22/975147722.db2.gz SHGOLWXLDFAVCQ-AWEZNQCLSA-N 1 3 263.389 1.004 50 0 CDAAHO Cc1nncn1CC[N@@H+]1CCC[C@@]2(CCN(C)C2)C1 ZINC001506397505 975147724 /nfs/dbraw/zinc/14/77/24/975147724.db2.gz SHGOLWXLDFAVCQ-AWEZNQCLSA-N 1 3 263.389 1.004 50 0 CDAAHO CNCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000193141445 358269719 /nfs/dbraw/zinc/26/97/19/358269719.db2.gz HKUAYPJDSRIKNK-UHFFFAOYSA-N 1 3 261.369 1.483 50 0 CDAAHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]C1CCN(C)CC1 ZINC000241132796 376017739 /nfs/dbraw/zinc/01/77/39/376017739.db2.gz JLQPUSKJVUEMNM-OIISXLGYSA-N 1 3 295.471 1.560 50 0 CDAAHO CN1CCN(C)[C@@H](CC[N@H+](C)Cc2ccccc2)C1 ZINC000020638187 171268619 /nfs/dbraw/zinc/26/86/19/171268619.db2.gz YTMDVXWKDNFCLM-INIZCTEOSA-N 1 3 261.413 1.754 50 0 CDAAHO CN1CCN(C)[C@@H](CC[N@@H+](C)Cc2ccccc2)C1 ZINC000020638187 171268621 /nfs/dbraw/zinc/26/86/21/171268621.db2.gz YTMDVXWKDNFCLM-INIZCTEOSA-N 1 3 261.413 1.754 50 0 CDAAHO COc1ccc2nc(C)cc(N3CC[NH2+]CC3)c2c1 ZINC000032500243 274142784 /nfs/dbraw/zinc/14/27/84/274142784.db2.gz BPRCBDGMNYBZFX-UHFFFAOYSA-N 1 3 257.337 1.961 50 0 CDAAHO C[C@@]1(C(=O)NCc2ccc3c(c2)CNC3)CCCC[NH2+]1 ZINC000188692039 525802723 /nfs/dbraw/zinc/80/27/23/525802723.db2.gz FSDOWXQIXHHTOR-INIZCTEOSA-N 1 3 273.380 1.438 50 0 CDAAHO Cc1nccn1C[C@H](C)[N@@H+]1CCCN(C(C)C)CC1 ZINC000821751095 925594093 /nfs/dbraw/zinc/59/40/93/925594093.db2.gz FVOCEUJMMVOGSE-AWEZNQCLSA-N 1 3 264.417 1.996 50 0 CDAAHO Cc1nccn1C[C@H](C)[N@H+]1CCCN(C(C)C)CC1 ZINC000821751095 925594098 /nfs/dbraw/zinc/59/40/98/925594098.db2.gz FVOCEUJMMVOGSE-AWEZNQCLSA-N 1 3 264.417 1.996 50 0 CDAAHO COC(C)(C)C[C@H](C)[NH2+]CC1(N(C)C)CCN(C)CC1 ZINC000584887265 349345425 /nfs/dbraw/zinc/34/54/25/349345425.db2.gz PTKPKBHSCNLLBZ-AWEZNQCLSA-N 1 3 285.476 1.806 50 0 CDAAHO Cc1nc(CC[NH2+]C[C@@]2(O)CCCNC2)sc1C ZINC000072470227 360233080 /nfs/dbraw/zinc/23/30/80/360233080.db2.gz QNYLQNGJYMHZJY-CYBMUJFWSA-N 1 3 269.414 1.007 50 0 CDAAHO CN(C)CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000003683608 375781658 /nfs/dbraw/zinc/78/16/58/375781658.db2.gz BXNZKYSFVBMRQS-AGUYFDCRSA-N 1 3 253.434 1.789 50 0 CDAAHO c1ccc2c(c1)N(CC[NH+]1CCCC1)C1=NCCN21 ZINC000020158880 171040152 /nfs/dbraw/zinc/04/01/52/171040152.db2.gz RQSRLGJYUYXTLM-UHFFFAOYSA-N 1 3 256.353 1.778 50 0 CDAAHO CCCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000299738947 283322118 /nfs/dbraw/zinc/32/21/18/283322118.db2.gz ISYQZVAYSSWJKE-OLZOCXBDSA-N 1 3 253.390 1.058 50 0 CDAAHO O[C@@H](C[NH2+]CCCN1CCCCC1)COc1ccccc1 ZINC000001832402 376108410 /nfs/dbraw/zinc/10/84/10/376108410.db2.gz HMAWRSOHTHQKFV-INIZCTEOSA-N 1 3 292.423 1.892 50 0 CDAAHO C[NH2+]CC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071763551 176261679 /nfs/dbraw/zinc/26/16/79/176261679.db2.gz WGMQZGHFNTZMBX-KBAYOESNSA-N 1 3 299.418 1.295 50 0 CDAAHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1Nc1cnn(CCN(C)C)c1 ZINC000097037678 288103152 /nfs/dbraw/zinc/10/31/52/288103152.db2.gz QSJBCARSVWVSQO-VNHYZAJKSA-N 1 3 279.432 1.585 50 0 CDAAHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cnn(CCN(C)C)c1 ZINC000097037678 288103155 /nfs/dbraw/zinc/10/31/55/288103155.db2.gz QSJBCARSVWVSQO-VNHYZAJKSA-N 1 3 279.432 1.585 50 0 CDAAHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000263233621 290391344 /nfs/dbraw/zinc/39/13/44/290391344.db2.gz CWUPRYNTXJDKPD-QWHCGFSZSA-N 1 3 253.390 1.058 50 0 CDAAHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000263233621 290391351 /nfs/dbraw/zinc/39/13/51/290391351.db2.gz CWUPRYNTXJDKPD-QWHCGFSZSA-N 1 3 253.390 1.058 50 0 CDAAHO NC[C@@H]1CC[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)[NH2+]C1 ZINC000757209906 577035896 /nfs/dbraw/zinc/03/58/96/577035896.db2.gz GPSDDLHWXJHUCF-LNFKQOIKSA-N 1 3 265.323 1.244 50 0 CDAAHO CN(C)C[C@H]1CC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000095396854 357116095 /nfs/dbraw/zinc/11/60/95/357116095.db2.gz FDKWJESCJJZBQU-KGLIPLIRSA-N 1 3 298.452 1.509 50 0 CDAAHO CN(C)C[C@H]1CC[N@@H+](C[C@H](O)COCc2cccs2)C1 ZINC000095396854 357116098 /nfs/dbraw/zinc/11/60/98/357116098.db2.gz FDKWJESCJJZBQU-KGLIPLIRSA-N 1 3 298.452 1.509 50 0 CDAAHO C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CCN1C ZINC000262661896 357541286 /nfs/dbraw/zinc/54/12/86/357541286.db2.gz GLOAGJCUJXZTHD-JHJVBQTASA-N 1 3 253.390 1.070 50 0 CDAAHO CN(C)CCOc1ccccc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000216217497 189701816 /nfs/dbraw/zinc/70/18/16/189701816.db2.gz GKYWAVOLOSJJEC-MRXNPFEDSA-N 1 3 291.439 1.763 50 0 CDAAHO CN(C)[C@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000299763894 373788109 /nfs/dbraw/zinc/78/81/09/373788109.db2.gz YQIDEMBTRCSHNZ-HNNXBMFYSA-N 1 3 290.411 1.826 50 0 CDAAHO CN(C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000299763894 373788115 /nfs/dbraw/zinc/78/81/15/373788115.db2.gz YQIDEMBTRCSHNZ-HNNXBMFYSA-N 1 3 290.411 1.826 50 0 CDAAHO O[C@H](C[NH2+]CCCN1CCCCC1)COc1ccccc1 ZINC000001832401 376109368 /nfs/dbraw/zinc/10/93/68/376109368.db2.gz HMAWRSOHTHQKFV-MRXNPFEDSA-N 1 3 292.423 1.892 50 0 CDAAHO CC[N@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000096432439 390519915 /nfs/dbraw/zinc/51/99/15/390519915.db2.gz CGNDGKDKDDMTFE-CYBMUJFWSA-N 1 3 255.406 1.127 50 0 CDAAHO CC[N@@H+](C)C[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000096432439 390519919 /nfs/dbraw/zinc/51/99/19/390519919.db2.gz CGNDGKDKDDMTFE-CYBMUJFWSA-N 1 3 255.406 1.127 50 0 CDAAHO Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000215518339 390994314 /nfs/dbraw/zinc/99/43/14/390994314.db2.gz ZBXKHXVQOIUOEB-HNNXBMFYSA-N 1 3 275.396 1.857 50 0 CDAAHO CC(C)(C)OC(=O)N1CCN(C2CCC([NH3+])CC2)CC1 ZINC000142684034 277187908 /nfs/dbraw/zinc/18/79/08/277187908.db2.gz URRCSHBKELVFHP-UHFFFAOYSA-N 1 3 283.416 1.809 50 0 CDAAHO C[C@@H](CN(C)CCO)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001506428258 975162043 /nfs/dbraw/zinc/16/20/43/975162043.db2.gz YOUWQRQYCJJPOD-LBPRGKRZSA-N 1 3 271.449 1.198 50 0 CDAAHO C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000178981983 362251114 /nfs/dbraw/zinc/25/11/14/362251114.db2.gz SRFIGAGRVJOMOK-AWEZNQCLSA-N 1 3 275.396 1.430 50 0 CDAAHO CN1CCC(O)(C[NH2+][C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000584900415 349362333 /nfs/dbraw/zinc/36/23/33/349362333.db2.gz YHTZMZOMHBMLPC-OAHLLOKOSA-N 1 3 289.423 1.312 50 0 CDAAHO CN(C)CCc1noc(C[C@H]([NH3+])c2ccccc2)n1 ZINC000134766288 363596064 /nfs/dbraw/zinc/59/60/64/363596064.db2.gz RWSTWKIDDFVBEH-LBPRGKRZSA-N 1 3 260.341 1.416 50 0 CDAAHO C(C1CCN([C@@H]2CCCOC2)CC1)[NH+]1CCCC1 ZINC000674301067 482995087 /nfs/dbraw/zinc/99/50/87/482995087.db2.gz MAYFJTPYARESIM-OAHLLOKOSA-N 1 3 252.402 1.973 50 0 CDAAHO C[NH+]1CCC(NC[C@H](O)c2cccc(F)c2)CC1 ZINC000037887392 374818290 /nfs/dbraw/zinc/81/82/90/374818290.db2.gz PTSKDJMDPNHXBI-AWEZNQCLSA-N 1 3 252.333 1.543 50 0 CDAAHO CC[C@@]1(CO)CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192841599 392228895 /nfs/dbraw/zinc/22/88/95/392228895.db2.gz GVTFDKSWWCDIFQ-KRWDZBQOSA-N 1 3 297.487 1.639 50 0 CDAAHO CC[C@@]1(CO)CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192841599 392228900 /nfs/dbraw/zinc/22/89/00/392228900.db2.gz GVTFDKSWWCDIFQ-KRWDZBQOSA-N 1 3 297.487 1.639 50 0 CDAAHO C[C@H]([NH3+])C(=O)N1CCCN(Cc2ccccc2)C[C@H]1C ZINC000262691703 149097885 /nfs/dbraw/zinc/09/78/85/149097885.db2.gz AOWSAMLAZCKPTC-KGLIPLIRSA-N 1 3 275.396 1.457 50 0 CDAAHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484357 534389332 /nfs/dbraw/zinc/38/93/32/534389332.db2.gz CTUMWRFFXBTOBG-GVDBMIGSSA-N 1 3 274.408 1.979 50 0 CDAAHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484357 534389336 /nfs/dbraw/zinc/38/93/36/534389336.db2.gz CTUMWRFFXBTOBG-GVDBMIGSSA-N 1 3 274.408 1.979 50 0 CDAAHO CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000685939633 539045745 /nfs/dbraw/zinc/04/57/45/539045745.db2.gz VZBYTCIFFDEURJ-XHSDSOJGSA-N 1 3 293.455 1.659 50 0 CDAAHO CC(C)C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000685939633 539045746 /nfs/dbraw/zinc/04/57/46/539045746.db2.gz VZBYTCIFFDEURJ-XHSDSOJGSA-N 1 3 293.455 1.659 50 0 CDAAHO CCC[C@@H]1NC(=N)NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000096026640 351475656 /nfs/dbraw/zinc/47/56/56/351475656.db2.gz JZSCQRCFXATNGX-SNVBAGLBSA-N 1 3 265.748 1.916 50 0 CDAAHO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc2c1OCO2 ZINC000108428678 412829096 /nfs/dbraw/zinc/82/90/96/412829096.db2.gz XRNRBXVSVMCXSL-LBPRGKRZSA-N 1 3 292.379 1.855 50 0 CDAAHO CC(C)C[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262676483 279174539 /nfs/dbraw/zinc/17/45/39/279174539.db2.gz SKTDUHDYOZTILC-AGIUHOORSA-N 1 3 255.406 1.301 50 0 CDAAHO CC(C)C[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262676483 279174541 /nfs/dbraw/zinc/17/45/41/279174541.db2.gz SKTDUHDYOZTILC-AGIUHOORSA-N 1 3 255.406 1.301 50 0 CDAAHO CCN1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000092629550 279299606 /nfs/dbraw/zinc/29/96/06/279299606.db2.gz GPAZVHSRZKTBAT-HZSPNIEDSA-N 1 3 267.417 1.447 50 0 CDAAHO CC[C@@H](C(=O)NCCN1CCCCC1)[N@H+](C)CC ZINC000822555076 1161928798 /nfs/dbraw/zinc/92/87/98/1161928798.db2.gz JIBHGDVYFVSPNW-ZDUSSCGKSA-N 1 3 255.406 1.319 50 0 CDAAHO CC[C@@H](C(=O)NCCN1CCCCC1)[N@@H+](C)CC ZINC000822555076 1161928800 /nfs/dbraw/zinc/92/88/00/1161928800.db2.gz JIBHGDVYFVSPNW-ZDUSSCGKSA-N 1 3 255.406 1.319 50 0 CDAAHO COc1ccccc1COC[C@@H](O)CNCCC[NH+](C)C ZINC000003418296 375031607 /nfs/dbraw/zinc/03/16/07/375031607.db2.gz WZPNBRVUKJBSTB-HNNXBMFYSA-N 1 3 296.411 1.114 50 0 CDAAHO C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000241132794 376017692 /nfs/dbraw/zinc/01/76/92/376017692.db2.gz JLQPUSKJVUEMNM-DJIMGWMZSA-N 1 3 295.471 1.560 50 0 CDAAHO N=C(NC(N)=[NH2+])Nc1ccc(Br)cc1 ZINC000005785454 170140462 /nfs/dbraw/zinc/14/04/62/170140462.db2.gz GVZIHTVADXTMQR-UHFFFAOYSA-N 1 3 256.107 1.279 50 0 CDAAHO CCC[NH+]1CCC(N[C@H]2CCc3c[nH]nc3C2)CC1 ZINC000370663757 276004762 /nfs/dbraw/zinc/00/47/62/276004762.db2.gz YEGARTBOAYUKGM-AWEZNQCLSA-N 1 3 262.401 1.731 50 0 CDAAHO c1c[nH]c(CCNC2CC[NH+](C3CCCC3)CC2)n1 ZINC000534661972 328350013 /nfs/dbraw/zinc/35/00/13/328350013.db2.gz YNYZRROTCPGNSH-UHFFFAOYSA-N 1 3 262.401 1.949 50 0 CDAAHO c1c[nH]c(CC[NH2+]C2CCN(C3CCCC3)CC2)n1 ZINC000534661972 328350014 /nfs/dbraw/zinc/35/00/14/328350014.db2.gz YNYZRROTCPGNSH-UHFFFAOYSA-N 1 3 262.401 1.949 50 0 CDAAHO CCC[C@@H](N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000253369940 342416060 /nfs/dbraw/zinc/41/60/60/342416060.db2.gz KGWHZXJYGUFUSF-TZMCWYRMSA-N 1 3 267.417 1.589 50 0 CDAAHO CCC[C@@H](N)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000253369940 342416061 /nfs/dbraw/zinc/41/60/61/342416061.db2.gz KGWHZXJYGUFUSF-TZMCWYRMSA-N 1 3 267.417 1.589 50 0 CDAAHO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000299739485 356270497 /nfs/dbraw/zinc/27/04/97/356270497.db2.gz OXUJBQKWCJCSCJ-ZNMIVQPWSA-N 1 3 279.428 1.591 50 0 CDAAHO [NH3+][C@H]1CCN(c2nc(-c3ccccc3)nc3c2CCNC3)C1 ZINC000067754346 357624717 /nfs/dbraw/zinc/62/47/17/357624717.db2.gz DSZJFNGJOOZYSH-ZDUSSCGKSA-N 1 3 295.390 1.327 50 0 CDAAHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000195554602 358557587 /nfs/dbraw/zinc/55/75/87/358557587.db2.gz UUIVQKHBAVRWQA-XRGAULLZSA-N 1 3 293.455 1.835 50 0 CDAAHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000195554602 358557590 /nfs/dbraw/zinc/55/75/90/358557590.db2.gz UUIVQKHBAVRWQA-XRGAULLZSA-N 1 3 293.455 1.835 50 0 CDAAHO CN(C)c1ncc(CN2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000067691270 377209342 /nfs/dbraw/zinc/20/93/42/377209342.db2.gz XXULEIVFTNXKEW-UHFFFAOYSA-N 1 3 275.400 1.118 50 0 CDAAHO Cc1nccn1CCCN(C)C[C@H]1CCCC[N@@H+]1C ZINC000243956736 937588643 /nfs/dbraw/zinc/58/86/43/937588643.db2.gz CCZLXCAKDBMDIK-OAHLLOKOSA-N 1 3 264.417 1.998 50 0 CDAAHO Cc1nccn1CCCN(C)C[C@H]1CCCC[N@H+]1C ZINC000243956736 937588646 /nfs/dbraw/zinc/58/86/46/937588646.db2.gz CCZLXCAKDBMDIK-OAHLLOKOSA-N 1 3 264.417 1.998 50 0 CDAAHO Clc1cnn(CCN2CCC3(C2)CC[NH2+]CC3)c1 ZINC000244641205 361855053 /nfs/dbraw/zinc/85/50/53/361855053.db2.gz GLHZSMPUJSSRQE-UHFFFAOYSA-N 1 3 268.792 1.612 50 0 CDAAHO CC(C)NC(=O)C[C@H](C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000107515641 412800398 /nfs/dbraw/zinc/80/03/98/412800398.db2.gz RVLZQKRZMPYGSR-MELADBBJSA-N 1 3 269.433 1.608 50 0 CDAAHO CC(C)NC(=O)C[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000107515641 412800402 /nfs/dbraw/zinc/80/04/02/412800402.db2.gz RVLZQKRZMPYGSR-MELADBBJSA-N 1 3 269.433 1.608 50 0 CDAAHO CCC[NH+]1CCC(N2CCC(C(N)=O)CC2)CC1 ZINC000005092879 170065676 /nfs/dbraw/zinc/06/56/76/170065676.db2.gz PJUYWYUULMVDCC-UHFFFAOYSA-N 1 3 253.390 1.058 50 0 CDAAHO CCOC(=O)N1CCC(CN2CCC([NH3+])CC2)CC1 ZINC000040457340 174267832 /nfs/dbraw/zinc/26/78/32/174267832.db2.gz SJJVZMIQMLTKEA-UHFFFAOYSA-N 1 3 269.389 1.278 50 0 CDAAHO CC1(C)CC([N@@H+]2C[C@@H]3COCC[C@]3(CO)C2)CC(C)(C)N1 ZINC001772711023 1159445475 /nfs/dbraw/zinc/44/54/75/1159445475.db2.gz VGNQCGUVYJFKDI-CXAGYDPISA-N 1 3 296.455 1.626 50 0 CDAAHO CC1(C)CC([N@H+]2C[C@@H]3COCC[C@]3(CO)C2)CC(C)(C)N1 ZINC001772711023 1159445478 /nfs/dbraw/zinc/44/54/78/1159445478.db2.gz VGNQCGUVYJFKDI-CXAGYDPISA-N 1 3 296.455 1.626 50 0 CDAAHO CC(C)SCCN(C)C[C@@H]1CCC[N@H+](CCO)C1 ZINC001529102165 968980649 /nfs/dbraw/zinc/98/06/49/968980649.db2.gz YWXJMWQXCFEVJS-AWEZNQCLSA-N 1 3 274.474 1.764 50 0 CDAAHO CC(C)SCCN(C)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC001529102165 968980655 /nfs/dbraw/zinc/98/06/55/968980655.db2.gz YWXJMWQXCFEVJS-AWEZNQCLSA-N 1 3 274.474 1.764 50 0 CDAAHO CN(C)Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091545355 180186552 /nfs/dbraw/zinc/18/65/52/180186552.db2.gz CGOYEHCGEWDXTK-QWHCGFSZSA-N 1 3 261.369 1.814 50 0 CDAAHO Cc1nc(CCC[NH2+]C[C@]2(O)CCCNC2)sc1C ZINC000072436465 357835731 /nfs/dbraw/zinc/83/57/31/357835731.db2.gz MKZIBZJERMKLQW-CQSZACIVSA-N 1 3 283.441 1.397 50 0 CDAAHO Cc1nc(CCCNC[C@]2(O)CCC[NH2+]C2)sc1C ZINC000072436465 357835734 /nfs/dbraw/zinc/83/57/34/357835734.db2.gz MKZIBZJERMKLQW-CQSZACIVSA-N 1 3 283.441 1.397 50 0 CDAAHO CCc1cnc(N)nc1NCC1(N(C)C)CC[NH+](C)CC1 ZINC001772706226 1159440568 /nfs/dbraw/zinc/44/05/68/1159440568.db2.gz RAQBDSLZCSJEAB-UHFFFAOYSA-N 1 3 292.431 1.059 50 0 CDAAHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000263263676 362039477 /nfs/dbraw/zinc/03/94/77/362039477.db2.gz NABVAZOHCMCGMX-UONOGXRCSA-N 1 3 281.444 1.837 50 0 CDAAHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000263263676 362039480 /nfs/dbraw/zinc/03/94/80/362039480.db2.gz NABVAZOHCMCGMX-UONOGXRCSA-N 1 3 281.444 1.837 50 0 CDAAHO CCOc1ccc(CC[NH2+]C[C@]2(O)CCCNC2)cc1 ZINC000072474898 357838237 /nfs/dbraw/zinc/83/82/37/357838237.db2.gz UIXKSFWGERSJRP-INIZCTEOSA-N 1 3 278.396 1.332 50 0 CDAAHO CCOc1ccc(CCNC[C@]2(O)CCC[NH2+]C2)cc1 ZINC000072474898 357838238 /nfs/dbraw/zinc/83/82/38/357838238.db2.gz UIXKSFWGERSJRP-INIZCTEOSA-N 1 3 278.396 1.332 50 0 CDAAHO CCC[NH+]1CCC(N[C@@H]2CCc3c[nH]nc3C2)CC1 ZINC000370663758 370119173 /nfs/dbraw/zinc/11/91/73/370119173.db2.gz YEGARTBOAYUKGM-CQSZACIVSA-N 1 3 262.401 1.731 50 0 CDAAHO Cc1c[nH+]ccc1NCCNC(=O)[C@@H]1CCCCCN1C ZINC000095371567 390910948 /nfs/dbraw/zinc/91/09/48/390910948.db2.gz LMZXWCRLKQDDDZ-HNNXBMFYSA-N 1 3 290.411 1.793 50 0 CDAAHO C[C@@H]1CC[C@H](CO)CN1CCC[NH+]1CCCCC1 ZINC000097103392 342192082 /nfs/dbraw/zinc/19/20/82/342192082.db2.gz ZOCTYLFWRJDOBT-CABCVRRESA-N 1 3 254.418 1.955 50 0 CDAAHO CSc1ccc(C[NH2+]CCCNCCO)cc1 ZINC000013732713 356355406 /nfs/dbraw/zinc/35/54/06/356355406.db2.gz DDAYAQAZLIYYHB-UHFFFAOYSA-N 1 3 254.399 1.470 50 0 CDAAHO Cc1nc(CCC[NH2+]C[C@@]2(O)CCCNC2)sc1C ZINC000072436467 357835866 /nfs/dbraw/zinc/83/58/66/357835866.db2.gz MKZIBZJERMKLQW-AWEZNQCLSA-N 1 3 283.441 1.397 50 0 CDAAHO Cc1nc(CCCNC[C@@]2(O)CCC[NH2+]C2)sc1C ZINC000072436467 357835869 /nfs/dbraw/zinc/83/58/69/357835869.db2.gz MKZIBZJERMKLQW-AWEZNQCLSA-N 1 3 283.441 1.397 50 0 CDAAHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000408523357 359930635 /nfs/dbraw/zinc/93/06/35/359930635.db2.gz RGTXIGOLOJSJPJ-UONOGXRCSA-N 1 3 267.417 1.319 50 0 CDAAHO c1cn(CCNC2CC[NH+](CCc3ccccc3)CC2)nn1 ZINC000123675093 375825576 /nfs/dbraw/zinc/82/55/76/375825576.db2.gz DFSKCBXKHRAWLR-UHFFFAOYSA-N 1 3 299.422 1.575 50 0 CDAAHO CCCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003845 391483096 /nfs/dbraw/zinc/48/30/96/391483096.db2.gz YFABSRYVUCTVHL-AGIUHOORSA-N 1 3 253.390 1.199 50 0 CDAAHO CCCC[C@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003845 391483099 /nfs/dbraw/zinc/48/30/99/391483099.db2.gz YFABSRYVUCTVHL-AGIUHOORSA-N 1 3 253.390 1.199 50 0 CDAAHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3)C[C@@H]12 ZINC000261856020 140399466 /nfs/dbraw/zinc/39/94/66/140399466.db2.gz XEGNLKHGZQVCOH-BPLDGKMQSA-N 1 3 273.380 1.684 50 0 CDAAHO C[C@H](C1CCN(c2ccncc2)CC1)[NH+]1CCN(C)CC1 ZINC000077519422 289408869 /nfs/dbraw/zinc/40/88/69/289408869.db2.gz FUYDDDYABPZCIZ-OAHLLOKOSA-N 1 3 288.439 1.934 50 0 CDAAHO C[C@H]1CNCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000125716752 187197183 /nfs/dbraw/zinc/19/71/83/187197183.db2.gz IGHMFRILLQZTMV-AWEZNQCLSA-N 1 3 287.407 1.716 50 0 CDAAHO CC(C)C[NH+]1CCC(NCCSc2c[nH]nn2)CC1 ZINC000067605237 357614244 /nfs/dbraw/zinc/61/42/44/357614244.db2.gz URHVVUPEGHAFGN-UHFFFAOYSA-N 1 3 283.445 1.607 50 0 CDAAHO CC(C)C[NH+]1CCC(NCCSc2cn[nH]n2)CC1 ZINC000067605237 357614250 /nfs/dbraw/zinc/61/42/50/357614250.db2.gz URHVVUPEGHAFGN-UHFFFAOYSA-N 1 3 283.445 1.607 50 0 CDAAHO CSCCC[NH2+]C1CCN(c2cc(C)nc(N)n2)CC1 ZINC000095384619 358691177 /nfs/dbraw/zinc/69/11/77/358691177.db2.gz CNWWDROGZKCNGH-UHFFFAOYSA-N 1 3 295.456 1.679 50 0 CDAAHO C[NH+](C)CC[C@H](NC(=O)CNC1CC1)c1ccccc1 ZINC000216012347 358917896 /nfs/dbraw/zinc/91/78/96/358917896.db2.gz UYPQANAVHFIKLB-HNNXBMFYSA-N 1 3 275.396 1.548 50 0 CDAAHO CC[N@@H+]1CCC[C@](C)(CN2CCC(CO)CC2)C1 ZINC000019642388 374768316 /nfs/dbraw/zinc/76/83/16/374768316.db2.gz OLMDMUBUWKXJLF-HNNXBMFYSA-N 1 3 254.418 1.813 50 0 CDAAHO CC[N@H+]1CCC[C@](C)(CN2CCC(CO)CC2)C1 ZINC000019642388 374768324 /nfs/dbraw/zinc/76/83/24/374768324.db2.gz OLMDMUBUWKXJLF-HNNXBMFYSA-N 1 3 254.418 1.813 50 0 CDAAHO Cc1cccc(CN2CCC[C@](O)(C[NH+](C)C)CC2)n1 ZINC000072168517 176332254 /nfs/dbraw/zinc/33/22/54/176332254.db2.gz QJDJSENTGOJDKT-MRXNPFEDSA-N 1 3 277.412 1.669 50 0 CDAAHO CC1(C)CC(NCCn2ccnn2)CC(C)(C)[NH2+]1 ZINC000822293559 1161927536 /nfs/dbraw/zinc/92/75/36/1161927536.db2.gz BHJYVEXLJPDDHX-UHFFFAOYSA-N 1 3 251.378 1.177 50 0 CDAAHO CC(C)N1CC[C@@H](C[N@H+](C)CCCn2ccnc2)C1 ZINC001506402948 975150580 /nfs/dbraw/zinc/15/05/80/975150580.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 1 3 264.417 1.935 50 0 CDAAHO CC(C)N1CC[C@@H](C[N@@H+](C)CCCn2ccnc2)C1 ZINC001506402948 975150581 /nfs/dbraw/zinc/15/05/81/975150581.db2.gz LDBZVSSLMFJTPG-HNNXBMFYSA-N 1 3 264.417 1.935 50 0 CDAAHO COCC[NH+]1CCC(CN(C)Cc2cncnc2)CC1 ZINC001506418507 975156957 /nfs/dbraw/zinc/15/69/57/975156957.db2.gz ZLTGMTNKPAEJCH-UHFFFAOYSA-N 1 3 278.400 1.267 50 0 CDAAHO O=C(C1CC[NH2+]CC1)N1CCCN(C2CCC2)CC1 ZINC000090624519 358484329 /nfs/dbraw/zinc/48/43/29/358484329.db2.gz JEDKFRUWDJYLCQ-UHFFFAOYSA-N 1 3 265.401 1.073 50 0 CDAAHO OC[C@H]1C[NH2+]CCC12CCN(Cc1cccs1)CC2 ZINC000097654153 358790295 /nfs/dbraw/zinc/79/02/95/358790295.db2.gz SBYHBEJYHMLQJI-CYBMUJFWSA-N 1 3 280.437 1.932 50 0 CDAAHO Cc1c[nH+]ccc1NCCNC(=O)[C@@H](C)N1CCCCC1 ZINC000426511560 360679129 /nfs/dbraw/zinc/67/91/29/360679129.db2.gz DSVJDOGBGVKJTC-CQSZACIVSA-N 1 3 290.411 1.214 50 0 CDAAHO CN1CCCN([C@@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000426623362 360691264 /nfs/dbraw/zinc/69/12/64/360691264.db2.gz UEDHBESQMSRRBU-CQSZACIVSA-N 1 3 283.485 1.642 50 0 CDAAHO CCCN1CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC000088264629 364648072 /nfs/dbraw/zinc/64/80/72/364648072.db2.gz NFQWMNJWUHTNDK-ZDUSSCGKSA-N 1 3 252.358 1.777 50 0 CDAAHO CCCN1CCC([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000088264632 364648191 /nfs/dbraw/zinc/64/81/91/364648191.db2.gz NFQWMNJWUHTNDK-CYBMUJFWSA-N 1 3 252.358 1.777 50 0 CDAAHO Cc1cc(CN(C)C)cc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000252523108 367784363 /nfs/dbraw/zinc/78/43/63/367784363.db2.gz BWXSJQFCYXRHLQ-AWEZNQCLSA-N 1 3 261.369 1.747 50 0 CDAAHO N=C1NC(=[NH2+])N(c2ccccc2)[C@@H](c2ccccc2)N1 ZINC000000063592 390133684 /nfs/dbraw/zinc/13/36/84/390133684.db2.gz GWOLNTNSXCWRKK-ZDUSSCGKSA-N 1 3 265.320 1.835 50 0 CDAAHO CNCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262648038 131246278 /nfs/dbraw/zinc/24/62/78/131246278.db2.gz PMGFVAIOALYKQM-HIFRSBDPSA-N 1 3 275.396 1.375 50 0 CDAAHO CNCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262648038 131246280 /nfs/dbraw/zinc/24/62/80/131246280.db2.gz PMGFVAIOALYKQM-HIFRSBDPSA-N 1 3 275.396 1.375 50 0 CDAAHO C[NH2+]CC(=O)N[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000262648038 131246281 /nfs/dbraw/zinc/24/62/81/131246281.db2.gz PMGFVAIOALYKQM-HIFRSBDPSA-N 1 3 275.396 1.375 50 0 CDAAHO Cc1cc(NC(=N)NC(N)=[NH2+])ccc1Br ZINC000020459023 171208694 /nfs/dbraw/zinc/20/86/94/171208694.db2.gz DRWSXSZUUAGARS-UHFFFAOYSA-N 1 3 270.134 1.587 50 0 CDAAHO Cc1cc(NC(=[NH2+])NC(=N)N)ccc1Br ZINC000020459023 171208695 /nfs/dbraw/zinc/20/86/95/171208695.db2.gz DRWSXSZUUAGARS-UHFFFAOYSA-N 1 3 270.134 1.587 50 0 CDAAHO N[C@H](c1ccsc1C(F)(F)F)C1(O)CC[NH2+]CC1 ZINC000958528560 812016367 /nfs/dbraw/zinc/01/63/67/812016367.db2.gz QSQRAYAXHJMYHX-MRVPVSSYSA-N 1 3 280.315 1.881 50 0 CDAAHO O[C@@H]1CCCN(C2CC[NH+](CCCn3ccnc3)CC2)C1 ZINC001506400618 975148849 /nfs/dbraw/zinc/14/88/49/975148849.db2.gz FHVOBUZMMVUBJB-MRXNPFEDSA-N 1 3 292.427 1.194 50 0 CDAAHO Cn1cnnc1C1CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000243893660 361828552 /nfs/dbraw/zinc/82/85/52/361828552.db2.gz ATBANTJJKAXTCY-CQSZACIVSA-N 1 3 277.416 1.479 50 0 CDAAHO CN(C)Cc1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000037019476 363313952 /nfs/dbraw/zinc/31/39/52/363313952.db2.gz FSGGCMQMDVMKPP-UHFFFAOYSA-N 1 3 261.369 1.686 50 0 CDAAHO C[C@H]1CN(C2CC[NH+](C[C@H]3CCN(C)C3)CC2)CCO1 ZINC000252517298 367740089 /nfs/dbraw/zinc/74/00/89/367740089.db2.gz DZWZLLBGFSDSOG-GJZGRUSLSA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@H]1CN(C2CCN(C[C@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000252517298 367740094 /nfs/dbraw/zinc/74/00/94/367740094.db2.gz DZWZLLBGFSDSOG-GJZGRUSLSA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@H]1CN(C2CCN(C[C@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000252517298 367740098 /nfs/dbraw/zinc/74/00/98/367740098.db2.gz DZWZLLBGFSDSOG-GJZGRUSLSA-N 1 3 281.444 1.123 50 0 CDAAHO C1COC2(CCN(C3CSCCSC3)CC2)C[NH2+]1 ZINC000426563263 276852072 /nfs/dbraw/zinc/85/20/72/276852072.db2.gz JLDIJNSJNUYMQE-UHFFFAOYSA-N 1 3 288.482 1.289 50 0 CDAAHO COCCC[N@@H+]1CC[C@@H](CNc2cc(C)nc(N)n2)C1 ZINC000091441412 277208205 /nfs/dbraw/zinc/20/82/05/277208205.db2.gz TUGAMXWRYFILPP-LBPRGKRZSA-N 1 3 279.388 1.138 50 0 CDAAHO COCCC[N@H+]1CC[C@@H](CNc2cc(C)nc(N)n2)C1 ZINC000091441412 277208206 /nfs/dbraw/zinc/20/82/06/277208206.db2.gz TUGAMXWRYFILPP-LBPRGKRZSA-N 1 3 279.388 1.138 50 0 CDAAHO C[C@@H]1CCC[N@H+](CCC(=O)N(C)CCN(C)C)C1 ZINC000020857481 819197833 /nfs/dbraw/zinc/19/78/33/819197833.db2.gz FDTRYRXEKBPODT-CYBMUJFWSA-N 1 3 255.406 1.128 50 0 CDAAHO C[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCN(C)C)C1 ZINC000020857481 819197838 /nfs/dbraw/zinc/19/78/38/819197838.db2.gz FDTRYRXEKBPODT-CYBMUJFWSA-N 1 3 255.406 1.128 50 0 CDAAHO CCC[C@H](N)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000195554584 342626146 /nfs/dbraw/zinc/62/61/46/342626146.db2.gz KGWHZXJYGUFUSF-JSGCOSHPSA-N 1 3 267.417 1.589 50 0 CDAAHO CCC[C@H](N)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000195554584 342626147 /nfs/dbraw/zinc/62/61/47/342626147.db2.gz KGWHZXJYGUFUSF-JSGCOSHPSA-N 1 3 267.417 1.589 50 0 CDAAHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000091392047 180145043 /nfs/dbraw/zinc/14/50/43/180145043.db2.gz KREYCRCOJQIIBC-CABCVRRESA-N 1 3 275.396 1.282 50 0 CDAAHO CC(C)CN1CCC([NH2+][C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000096491727 277386377 /nfs/dbraw/zinc/38/63/77/277386377.db2.gz VHRMETRVPBVNFD-ZBFHGGJFSA-N 1 3 283.460 1.416 50 0 CDAAHO N[C@H](CC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000188650493 527384260 /nfs/dbraw/zinc/38/42/60/527384260.db2.gz KBSRYAOPMIXBHA-QGZVFWFLSA-N 1 3 295.386 1.996 50 0 CDAAHO CC(C)(CN1CCC[C@@H](O)CC1)C[NH+]1CCCC1 ZINC000828628883 926150104 /nfs/dbraw/zinc/15/01/04/926150104.db2.gz WFRZVBVAQZYQRE-CQSZACIVSA-N 1 3 254.418 1.955 50 0 CDAAHO CC(C)(CN1CCCC1)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000828628883 926150108 /nfs/dbraw/zinc/15/01/08/926150108.db2.gz WFRZVBVAQZYQRE-CQSZACIVSA-N 1 3 254.418 1.955 50 0 CDAAHO CC(C)(CN1CCCC1)C[N@H+]1CCC[C@@H](O)CC1 ZINC000828628883 926150113 /nfs/dbraw/zinc/15/01/13/926150113.db2.gz WFRZVBVAQZYQRE-CQSZACIVSA-N 1 3 254.418 1.955 50 0 CDAAHO CN(C)C[C@H]1COCC[N@@H+](C2CSCCSC2)C1 ZINC000584900323 349362470 /nfs/dbraw/zinc/36/24/70/349362470.db2.gz FVZCZUTWEOSAGT-GFCCVEGCSA-N 1 3 290.498 1.345 50 0 CDAAHO CN(C)C[C@H]1COCC[N@H+](C2CSCCSC2)C1 ZINC000584900323 349362472 /nfs/dbraw/zinc/36/24/72/349362472.db2.gz FVZCZUTWEOSAGT-GFCCVEGCSA-N 1 3 290.498 1.345 50 0 CDAAHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(C[C@@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299756873 372745825 /nfs/dbraw/zinc/74/58/25/372745825.db2.gz IGBIADUEVDGXDI-AFIMGQEJSA-N 1 3 299.418 1.709 50 0 CDAAHO CCn1nncc1CNCC1CC[NH+](CC)CC1 ZINC000581992711 373469598 /nfs/dbraw/zinc/46/95/98/373469598.db2.gz QKJNHXNTXQJTOU-UHFFFAOYSA-N 1 3 251.378 1.120 50 0 CDAAHO CNC(=O)C[C@@H]1CC[N@@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000670435447 482971681 /nfs/dbraw/zinc/97/16/81/482971681.db2.gz DMOUBNIPOVETCN-LBPRGKRZSA-N 1 3 281.444 1.754 50 0 CDAAHO CNC(=O)C[C@@H]1CC[N@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000670435447 482971688 /nfs/dbraw/zinc/97/16/88/482971688.db2.gz DMOUBNIPOVETCN-LBPRGKRZSA-N 1 3 281.444 1.754 50 0 CDAAHO OCc1nc(CC[NH2+]C2CCN(C3CCCC3)CC2)no1 ZINC000670443593 482990134 /nfs/dbraw/zinc/99/01/34/482990134.db2.gz SPVUDFJCSZKFKP-UHFFFAOYSA-N 1 3 294.399 1.101 50 0 CDAAHO CCN1CC[C@@H](NC(=O)CCC[NH+]2CCCCCC2)C1 ZINC000670473085 483082349 /nfs/dbraw/zinc/08/23/49/483082349.db2.gz BYAJQXHWYSQAIN-OAHLLOKOSA-N 1 3 281.444 1.853 50 0 CDAAHO CN1CCCN(CCC(F)(F)F)CC12CC[NH2+]CC2 ZINC000823778358 925730047 /nfs/dbraw/zinc/73/00/47/925730047.db2.gz KZBHATQLXDXRGY-UHFFFAOYSA-N 1 3 279.350 1.699 50 0 CDAAHO Cc1nc(CN)cc(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000071279052 356908542 /nfs/dbraw/zinc/90/85/42/356908542.db2.gz PBXVBYFRELOKQK-UHFFFAOYSA-N 1 3 275.400 1.308 50 0 CDAAHO O=C(CN1CCCCCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067894657 357635667 /nfs/dbraw/zinc/63/56/67/357635667.db2.gz LGSWAPPNSVWDDB-QGZVFWFLSA-N 1 3 293.455 1.855 50 0 CDAAHO Cc1nc(CC[NH3+])cc(N(C)C[C@]2(C)CCN(C)C2)n1 ZINC000067754556 359704485 /nfs/dbraw/zinc/70/44/85/359704485.db2.gz SDRLXPYHSXNDFN-OAHLLOKOSA-N 1 3 277.416 1.064 50 0 CDAAHO O=C(CN1CCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000072154769 176328982 /nfs/dbraw/zinc/32/89/82/176328982.db2.gz AURUSEITSJKUTG-UHFFFAOYSA-N 1 3 265.401 1.074 50 0 CDAAHO C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@H](C)N1 ZINC000299739350 482447818 /nfs/dbraw/zinc/44/78/18/482447818.db2.gz NNGBRDKTYSUVSJ-VNHYZAJKSA-N 1 3 275.396 1.675 50 0 CDAAHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@](C)(O)c1ccsc1 ZINC000863984336 838794643 /nfs/dbraw/zinc/79/46/43/838794643.db2.gz TUPFNXOWQJVBLQ-KNUOEEMSSA-N 1 3 280.437 1.885 50 0 CDAAHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@](C)(O)c1ccsc1 ZINC000863984336 838794669 /nfs/dbraw/zinc/79/46/69/838794669.db2.gz TUPFNXOWQJVBLQ-KNUOEEMSSA-N 1 3 280.437 1.885 50 0 CDAAHO Cc1nc(CN)cc(N(C)CC[N@H+]2CCCC[C@@H]2C)n1 ZINC000067872670 839997843 /nfs/dbraw/zinc/99/78/43/839997843.db2.gz PPXSJYVSVCUIGN-LBPRGKRZSA-N 1 3 277.416 1.554 50 0 CDAAHO Cc1nc(CN)cc(N(C)CC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000067872670 839997852 /nfs/dbraw/zinc/99/78/52/839997852.db2.gz PPXSJYVSVCUIGN-LBPRGKRZSA-N 1 3 277.416 1.554 50 0 CDAAHO CN1CCN(C2(CNc3cc[nH+]cc3)CCCC2)CC1 ZINC000823789452 925733028 /nfs/dbraw/zinc/73/30/28/925733028.db2.gz RFLKBONPBAVJDW-UHFFFAOYSA-N 1 3 274.412 1.476 50 0 CDAAHO CCN1CCC[C@@]2(CCC[N@H+](CCn3cnnc3C)C2)C1 ZINC001506412880 975154579 /nfs/dbraw/zinc/15/45/79/975154579.db2.gz PDDDGCFFKONEOJ-MRXNPFEDSA-N 1 3 291.443 1.784 50 0 CDAAHO CCN1CCC[C@@]2(CCC[N@@H+](CCn3cnnc3C)C2)C1 ZINC001506412880 975154581 /nfs/dbraw/zinc/15/45/81/975154581.db2.gz PDDDGCFFKONEOJ-MRXNPFEDSA-N 1 3 291.443 1.784 50 0 CDAAHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000091391820 180145107 /nfs/dbraw/zinc/14/51/07/180145107.db2.gz HYDDFZUEMOQMGY-GJZGRUSLSA-N 1 3 275.396 1.109 50 0 CDAAHO COC[C@@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000089800794 366936925 /nfs/dbraw/zinc/93/69/25/366936925.db2.gz UIVJVLFGLSPPQT-INIZCTEOSA-N 1 3 278.396 1.248 50 0 CDAAHO CC(C)[C@H](CN1CCOCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252511632 367678311 /nfs/dbraw/zinc/67/83/11/367678311.db2.gz IWMRMUHLKWTPGN-IKGGRYGDSA-N 1 3 295.471 1.560 50 0 CDAAHO CC(C)[C@H](CN1CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252511632 367678313 /nfs/dbraw/zinc/67/83/13/367678313.db2.gz IWMRMUHLKWTPGN-IKGGRYGDSA-N 1 3 295.471 1.560 50 0 CDAAHO Cc1nc(N)cc(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092066117 135075234 /nfs/dbraw/zinc/07/52/34/135075234.db2.gz AEAKLAWGJXNVBU-UHFFFAOYSA-N 1 3 270.340 1.089 50 0 CDAAHO COC[C@H](O)C[NH+]1CCC(NCc2cccc(C)c2)CC1 ZINC000089800814 327173581 /nfs/dbraw/zinc/17/35/81/327173581.db2.gz QQWMSFRMJULHMO-QGZVFWFLSA-N 1 3 292.423 1.556 50 0 CDAAHO OC1(C[NH+]2CCCC2)CCN([C@@H]2CCCOC2)CC1 ZINC000828605355 926146466 /nfs/dbraw/zinc/14/64/66/926146466.db2.gz PNXQWRYHXLSHRN-CQSZACIVSA-N 1 3 268.401 1.088 50 0 CDAAHO CC(C)N1CC[C@H](C[N@H+](C)CCCn2ccnc2)C1 ZINC001506402950 975150347 /nfs/dbraw/zinc/15/03/47/975150347.db2.gz LDBZVSSLMFJTPG-OAHLLOKOSA-N 1 3 264.417 1.935 50 0 CDAAHO CC(C)N1CC[C@H](C[N@@H+](C)CCCn2ccnc2)C1 ZINC001506402950 975150349 /nfs/dbraw/zinc/15/03/49/975150349.db2.gz LDBZVSSLMFJTPG-OAHLLOKOSA-N 1 3 264.417 1.935 50 0 CDAAHO C[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCCCCC1 ZINC000685939540 539045796 /nfs/dbraw/zinc/04/57/96/539045796.db2.gz YQXMSUPDGINDGU-HOTGVXAUSA-N 1 3 293.455 1.948 50 0 CDAAHO C[C@@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCCCCC1 ZINC000685939540 539045797 /nfs/dbraw/zinc/04/57/97/539045797.db2.gz YQXMSUPDGINDGU-HOTGVXAUSA-N 1 3 293.455 1.948 50 0 CDAAHO COC(C)(C)C[C@@H](C)[NH2+]CC1(N(C)C)CCN(C)CC1 ZINC000584887274 349345546 /nfs/dbraw/zinc/34/55/46/349345546.db2.gz PTKPKBHSCNLLBZ-CQSZACIVSA-N 1 3 285.476 1.806 50 0 CDAAHO Cc1c[nH+]ccc1NCCNC(=O)[C@H]1CCCCCN1C ZINC000095371568 358687699 /nfs/dbraw/zinc/68/76/99/358687699.db2.gz LMZXWCRLKQDDDZ-OAHLLOKOSA-N 1 3 290.411 1.793 50 0 CDAAHO C(O[C@@H]1COCC[C@H]1NC1CC[NH2+]CC1)C1CCC1 ZINC000223029891 359394555 /nfs/dbraw/zinc/39/45/55/359394555.db2.gz HWMRFVOPGYXDAZ-HUUCEWRRSA-N 1 3 268.401 1.302 50 0 CDAAHO C(O[C@@H]1COCC[C@H]1[NH2+]C1CCNCC1)C1CCC1 ZINC000223029891 359394560 /nfs/dbraw/zinc/39/45/60/359394560.db2.gz HWMRFVOPGYXDAZ-HUUCEWRRSA-N 1 3 268.401 1.302 50 0 CDAAHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000195554600 393294979 /nfs/dbraw/zinc/29/49/79/393294979.db2.gz UUIVQKHBAVRWQA-XNISGKROSA-N 1 3 293.455 1.835 50 0 CDAAHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000195554600 393294984 /nfs/dbraw/zinc/29/49/84/393294984.db2.gz UUIVQKHBAVRWQA-XNISGKROSA-N 1 3 293.455 1.835 50 0 CDAAHO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C(=O)CN1CCCCCCC1)C2 ZINC000534581129 328311694 /nfs/dbraw/zinc/31/16/94/328311694.db2.gz GIJNZMLAUQCHKK-FOLVSLTJSA-N 1 3 279.428 1.448 50 0 CDAAHO CC[C@]1(C)CCCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878147237 848163001 /nfs/dbraw/zinc/16/30/01/848163001.db2.gz AUXQACSRGCSPED-MRXNPFEDSA-N 1 3 281.444 1.709 50 0 CDAAHO CN(CCC[NH+](C)C)C(=O)[C@@H]1CCCCCN1C ZINC000823693046 925723097 /nfs/dbraw/zinc/72/30/97/925723097.db2.gz IIWGXPAXWXLVGG-ZDUSSCGKSA-N 1 3 255.406 1.271 50 0 CDAAHO CC(C)C[N@H+](C)CCCN1CC2(CCN(C)CC2)OC1=O ZINC000072476559 357837821 /nfs/dbraw/zinc/83/78/21/357837821.db2.gz UIBJMQZHUPHSMI-UHFFFAOYSA-N 1 3 297.443 1.881 50 0 CDAAHO CC(C)C[N@@H+](C)CCCN1CC2(CCN(C)CC2)OC1=O ZINC000072476559 357837825 /nfs/dbraw/zinc/83/78/25/357837825.db2.gz UIBJMQZHUPHSMI-UHFFFAOYSA-N 1 3 297.443 1.881 50 0 CDAAHO CCCN1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000299738847 375199660 /nfs/dbraw/zinc/19/96/60/375199660.db2.gz HGDZUPIHBXPBAJ-KGLIPLIRSA-N 1 3 267.417 1.319 50 0 CDAAHO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CCNCC2)C1 ZINC000090635764 277190625 /nfs/dbraw/zinc/19/06/25/277190625.db2.gz XQUKBFCAOSSEKZ-GFCCVEGCSA-N 1 3 269.389 1.337 50 0 CDAAHO COCCCN1CC[C@@H](C[NH2+]C2CCSCC2)C1 ZINC000065529411 390552216 /nfs/dbraw/zinc/55/22/16/390552216.db2.gz UPWTZWOOIOSNAI-ZDUSSCGKSA-N 1 3 272.458 1.830 50 0 CDAAHO COc1cc2c(cc1CNC[C@@H]1CC[NH2+]C[C@H]1O)CCC2 ZINC000072159208 176329256 /nfs/dbraw/zinc/32/92/56/176329256.db2.gz HNXAQKJJYIVOEU-GOEBONIOSA-N 1 3 290.407 1.244 50 0 CDAAHO C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(C)CC1 ZINC000241132795 524968701 /nfs/dbraw/zinc/96/87/01/524968701.db2.gz JLQPUSKJVUEMNM-HYVNUMGLSA-N 1 3 295.471 1.560 50 0 CDAAHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)C1 ZINC000091391819 180144709 /nfs/dbraw/zinc/14/47/09/180144709.db2.gz HYDDFZUEMOQMGY-CABCVRRESA-N 1 3 275.396 1.109 50 0 CDAAHO CC(C)CN1CCC([NH2+]CCc2nnc(N)s2)CC1 ZINC000067843115 357631412 /nfs/dbraw/zinc/63/14/12/357631412.db2.gz IJYRFQLGZWITLI-UHFFFAOYSA-N 1 3 283.445 1.373 50 0 CDAAHO CN1CCC[C@@H]([NH2+]C2CCN(CC3CC3)CC2)C1 ZINC000095420733 374923519 /nfs/dbraw/zinc/92/35/19/374923519.db2.gz SCZOYHXMZOPBKA-OAHLLOKOSA-N 1 3 251.418 1.545 50 0 CDAAHO CN1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000095420733 374923525 /nfs/dbraw/zinc/92/35/25/374923525.db2.gz SCZOYHXMZOPBKA-OAHLLOKOSA-N 1 3 251.418 1.545 50 0 CDAAHO C[C@@H](C(N)=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821646 135077255 /nfs/dbraw/zinc/07/72/55/135077255.db2.gz INZHNGFEGXCBED-ZDUSSCGKSA-N 1 3 290.411 1.494 50 0 CDAAHO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CCCNC3)C2 ZINC000072130775 176321898 /nfs/dbraw/zinc/32/18/98/176321898.db2.gz UCHWMERQPLVHJA-LSDHHAIUSA-N 1 3 289.427 1.045 50 0 CDAAHO C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc3n(n1)CCCNC3)C2 ZINC000072130775 176321899 /nfs/dbraw/zinc/32/18/99/176321899.db2.gz UCHWMERQPLVHJA-LSDHHAIUSA-N 1 3 289.427 1.045 50 0 CDAAHO CC[N@@H+]1CCC[C@H](N2CCN(C(C)C)[C@H](C)C2)C1 ZINC000042976592 357083773 /nfs/dbraw/zinc/08/37/73/357083773.db2.gz BCSJDSWAOGLBCU-CABCVRRESA-N 1 3 253.434 1.885 50 0 CDAAHO CC[N@H+]1CCC[C@H](N2CCN(C(C)C)[C@H](C)C2)C1 ZINC000042976592 357083781 /nfs/dbraw/zinc/08/37/81/357083781.db2.gz BCSJDSWAOGLBCU-CABCVRRESA-N 1 3 253.434 1.885 50 0 CDAAHO O=C(C1CC[NH2+]CC1)N1CCC(N2CCSCC2)CC1 ZINC000534591456 328318323 /nfs/dbraw/zinc/31/83/23/328318323.db2.gz CQEDDJFMDNXEHO-UHFFFAOYSA-N 1 3 297.468 1.026 50 0 CDAAHO CC[N@@H+]1CCC[C@H](CN2CCC(OCCOC)CC2)C1 ZINC000019114390 356475278 /nfs/dbraw/zinc/47/52/78/356475278.db2.gz WTKPPPMODPIDBS-HNNXBMFYSA-N 1 3 284.444 1.846 50 0 CDAAHO CC[N@H+]1CCC[C@H](CN2CCC(OCCOC)CC2)C1 ZINC000019114390 356475282 /nfs/dbraw/zinc/47/52/82/356475282.db2.gz WTKPPPMODPIDBS-HNNXBMFYSA-N 1 3 284.444 1.846 50 0 CDAAHO CCC[NH+]1CCC(CNCc2cnc(C)nc2)CC1 ZINC000356932934 366639141 /nfs/dbraw/zinc/63/91/41/366639141.db2.gz ZRCQBCXXFPFIJA-UHFFFAOYSA-N 1 3 262.401 1.997 50 0 CDAAHO CCN1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccnc2)C1 ZINC000037644596 369502395 /nfs/dbraw/zinc/50/23/95/369502395.db2.gz FPJPTROESSINCF-ZDUSSCGKSA-N 1 3 285.395 1.903 50 0 CDAAHO Cc1cc(N2CCC[N@H+](C[C@H]3CCOC3)CC2)ccn1 ZINC000244900019 376023235 /nfs/dbraw/zinc/02/32/35/376023235.db2.gz ZUPAMLROIQTGSE-OAHLLOKOSA-N 1 3 275.396 1.939 50 0 CDAAHO Cc1cc(N2CCC[N@@H+](C[C@H]3CCOC3)CC2)ccn1 ZINC000244900019 376023243 /nfs/dbraw/zinc/02/32/43/376023243.db2.gz ZUPAMLROIQTGSE-OAHLLOKOSA-N 1 3 275.396 1.939 50 0 CDAAHO COCCN(C)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000020455216 171208481 /nfs/dbraw/zinc/20/84/81/171208481.db2.gz YZNDEMLNKWKAHE-CVEARBPZSA-N 1 3 290.407 1.302 50 0 CDAAHO Cc1cccc(CSCCCNC[C@@]2(O)CC[NH2+]C2)c1 ZINC000077318861 177251674 /nfs/dbraw/zinc/25/16/74/177251674.db2.gz XIGCAFMYAUOIGE-INIZCTEOSA-N 1 3 294.464 1.932 50 0 CDAAHO O=S1(=O)C=C[C@@H](NC2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067689074 679379766 /nfs/dbraw/zinc/37/97/66/679379766.db2.gz JKQVUTWETYHFCZ-CYBMUJFWSA-N 1 3 284.425 1.199 50 0 CDAAHO CN(C)C[C@H](O)c1cc2n(n1)CCC[N@H+](CC1CCC1)C2 ZINC000222782589 230398766 /nfs/dbraw/zinc/39/87/66/230398766.db2.gz SNISBODOUULBRR-INIZCTEOSA-N 1 3 292.427 1.484 50 0 CDAAHO CN(C)C[C@H](O)c1cc2n(n1)CCC[N@@H+](CC1CCC1)C2 ZINC000222782589 230398767 /nfs/dbraw/zinc/39/87/67/230398767.db2.gz SNISBODOUULBRR-INIZCTEOSA-N 1 3 292.427 1.484 50 0 CDAAHO CC1(C)CN=C(NCCNC2=[NH+]CC(C)(C)S2)S1 ZINC000004207778 356021598 /nfs/dbraw/zinc/02/15/98/356021598.db2.gz YUNXGYREQIZSFQ-UHFFFAOYSA-N 1 3 286.470 1.928 50 0 CDAAHO CC(C)[C@H](CN1CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252511633 367678380 /nfs/dbraw/zinc/67/83/80/367678380.db2.gz IWMRMUHLKWTPGN-ULQDDVLXSA-N 1 3 295.471 1.560 50 0 CDAAHO CC(C)[C@H](CN1CCOCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252511633 367678383 /nfs/dbraw/zinc/67/83/83/367678383.db2.gz IWMRMUHLKWTPGN-ULQDDVLXSA-N 1 3 295.471 1.560 50 0 CDAAHO CCCC[C@@H]1C(=O)N(C)CCN1C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244659791 376033834 /nfs/dbraw/zinc/03/38/34/376033834.db2.gz HIRWQPVJWSGVEY-QLFBSQMISA-N 1 3 281.444 1.837 50 0 CDAAHO CCN1CCN(CCC[NH2+]Cc2cccs2)CC1 ZINC000045796179 175383889 /nfs/dbraw/zinc/38/38/89/175383889.db2.gz KWPSHHLYTKLTBN-UHFFFAOYSA-N 1 3 267.442 1.865 50 0 CDAAHO CNC(=O)C[C@H]1CCN(C2CC[NH+](C3CCCC3)CC2)C1 ZINC000670455288 483031124 /nfs/dbraw/zinc/03/11/24/483031124.db2.gz OFACTCPBFUZCEE-CQSZACIVSA-N 1 3 293.455 1.851 50 0 CDAAHO O=S1(=O)C=C[C@H](NC2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000067689073 683213840 /nfs/dbraw/zinc/21/38/40/683213840.db2.gz JKQVUTWETYHFCZ-ZDUSSCGKSA-N 1 3 284.425 1.199 50 0 CDAAHO CC(C)CN1CCC([NH2+]CCSc2nc[nH]n2)CC1 ZINC000067867747 357634122 /nfs/dbraw/zinc/63/41/22/357634122.db2.gz UWTJCIFXWXJKCM-UHFFFAOYSA-N 1 3 283.445 1.607 50 0 CDAAHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000299738715 375199608 /nfs/dbraw/zinc/19/96/08/375199608.db2.gz FMRYHZJVWARLMI-BFHYXJOUSA-N 1 3 267.417 1.447 50 0 CDAAHO [NH3+][C@H]1C[C@@H](c2cc(NCCN3CCCC3)ncn2)C1 ZINC000244673539 361854786 /nfs/dbraw/zinc/85/47/86/361854786.db2.gz HQWAZNZVUWLRDE-TXEJJXNPSA-N 1 3 261.373 1.189 50 0 CDAAHO CN1CCC(N(CC[NH3+])C(=O)OC(C)(C)C)CC1 ZINC000058040442 357375159 /nfs/dbraw/zinc/37/51/59/357375159.db2.gz BKSDSLZUZYPMAO-UHFFFAOYSA-N 1 3 257.378 1.276 50 0 CDAAHO CN(C)Cc1csc(CN2C[C@H]3CC[C@@H](C2)[NH2+]C3)c1 ZINC000097288750 358764783 /nfs/dbraw/zinc/76/47/83/358764783.db2.gz QGCDUGOFLUFTNR-JSGCOSHPSA-N 1 3 279.453 1.994 50 0 CDAAHO Cc1cc(CN(C)C)cc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000252523109 367784480 /nfs/dbraw/zinc/78/44/80/367784480.db2.gz BWXSJQFCYXRHLQ-CQSZACIVSA-N 1 3 261.369 1.747 50 0 CDAAHO CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000238852835 376014660 /nfs/dbraw/zinc/01/46/60/376014660.db2.gz HHSHRDJOGQTWNB-BMFZPTHFSA-N 1 3 293.455 1.850 50 0 CDAAHO CCCCc1nc(CN2CCC3(CC2)C[NH2+]CCO3)c[nH]1 ZINC000426517844 694829306 /nfs/dbraw/zinc/82/93/06/694829306.db2.gz NTJWXMLHJRJERB-UHFFFAOYSA-N 1 3 292.427 1.707 50 0 CDAAHO CC[C@H](C(=O)NC[C@@H]1C[NH2+]Cc2ccccc21)N(C)C ZINC000952852325 910406934 /nfs/dbraw/zinc/40/69/34/910406934.db2.gz WAGIHBITGQITOL-DZGCQCFKSA-N 1 3 275.396 1.330 50 0 CDAAHO CN1CCC([NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000096876704 185119487 /nfs/dbraw/zinc/11/94/87/185119487.db2.gz QDLZMYQKJQGKPP-UHFFFAOYSA-N 1 3 273.424 1.898 50 0 CDAAHO CN(C)CCOc1ccccc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179071173 362249772 /nfs/dbraw/zinc/24/97/72/362249772.db2.gz LAKDQKFRKFQYMR-ZDUSSCGKSA-N 1 3 291.395 1.061 50 0 CDAAHO Cc1ccc(CN2C[C@H](CO)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000091426865 180152002 /nfs/dbraw/zinc/15/20/02/180152002.db2.gz LBXIJMJXHPFOIR-IAGOWNOFSA-N 1 3 276.424 1.905 50 0 CDAAHO O=C([C@H]1CCCN(C2CC[NH2+]CC2)C1)N1CCCC1 ZINC000082126680 296106715 /nfs/dbraw/zinc/10/67/15/296106715.db2.gz WAZAWKDZOGTZBO-ZDUSSCGKSA-N 1 3 265.401 1.073 50 0 CDAAHO O=C([C@H]1CCC[N@@H+](C2CCNCC2)C1)N1CCCC1 ZINC000082126680 296106717 /nfs/dbraw/zinc/10/67/17/296106717.db2.gz WAZAWKDZOGTZBO-ZDUSSCGKSA-N 1 3 265.401 1.073 50 0 CDAAHO O=C([C@H]1CCC[N@H+](C2CCNCC2)C1)N1CCCC1 ZINC000082126680 296106719 /nfs/dbraw/zinc/10/67/19/296106719.db2.gz WAZAWKDZOGTZBO-ZDUSSCGKSA-N 1 3 265.401 1.073 50 0 CDAAHO CNC(=O)C[C@H]1CC[N@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000670435446 482971903 /nfs/dbraw/zinc/97/19/03/482971903.db2.gz DMOUBNIPOVETCN-GFCCVEGCSA-N 1 3 281.444 1.754 50 0 CDAAHO O[C@H](CC[NH+]1CCC2(CC1)CNCCO2)c1ccccc1 ZINC000534651100 328337327 /nfs/dbraw/zinc/33/73/27/328337327.db2.gz ORRSVNDXSZTLFL-MRXNPFEDSA-N 1 3 290.407 1.565 50 0 CDAAHO CNC(=O)C[C@H]1CC[N@@H+](C2CC(C)(C)NC(C)(C)C2)C1 ZINC000670435446 482971900 /nfs/dbraw/zinc/97/19/00/482971900.db2.gz DMOUBNIPOVETCN-GFCCVEGCSA-N 1 3 281.444 1.754 50 0 CDAAHO NC[C@@H]1C[NH2+]C[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757218612 574909566 /nfs/dbraw/zinc/90/95/66/574909566.db2.gz VHILDOGCIBXCCO-YTWAJWBKSA-N 1 3 265.323 1.101 50 0 CDAAHO Cc1nccn1CC[C@H](C)[NH+]1CCC2(CC1)CNCCO2 ZINC000426393109 725410898 /nfs/dbraw/zinc/41/08/98/725410898.db2.gz ZDSOBDNMXOCBKB-AWEZNQCLSA-N 1 3 292.427 1.425 50 0 CDAAHO C[NH+](C)[C@@H]1CCN(C(=O)CN2CCCCCC2)C1 ZINC000823662617 925719131 /nfs/dbraw/zinc/71/91/31/925719131.db2.gz DHWWLBGRRRCYNC-CYBMUJFWSA-N 1 3 253.390 1.025 50 0 CDAAHO CCC[C@@H](N)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000195554583 342626134 /nfs/dbraw/zinc/62/61/34/342626134.db2.gz KGWHZXJYGUFUSF-GXTWGEPZSA-N 1 3 267.417 1.589 50 0 CDAAHO CCC[C@@H](N)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000195554583 342626135 /nfs/dbraw/zinc/62/61/35/342626135.db2.gz KGWHZXJYGUFUSF-GXTWGEPZSA-N 1 3 267.417 1.589 50 0 CDAAHO CCN1CCC(C[NH2+][C@H](C)COC)(N(C)C)CC1 ZINC000584899892 349361666 /nfs/dbraw/zinc/36/16/66/349361666.db2.gz LENOWUJFLLFYHR-CYBMUJFWSA-N 1 3 257.422 1.027 50 0 CDAAHO CC[C@H](O)[C@@H]1CCCCN1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530867 363456937 /nfs/dbraw/zinc/45/69/37/363456937.db2.gz VOJUROBBYILNPW-ULQDDVLXSA-N 1 3 298.471 1.705 50 0 CDAAHO CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)N)CC1 ZINC000037825972 359234609 /nfs/dbraw/zinc/23/46/09/359234609.db2.gz GZCHVOOUEOHLEA-LBPRGKRZSA-N 1 3 255.406 1.304 50 0 CDAAHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)N)CC1 ZINC000037825972 359234610 /nfs/dbraw/zinc/23/46/10/359234610.db2.gz GZCHVOOUEOHLEA-LBPRGKRZSA-N 1 3 255.406 1.304 50 0 CDAAHO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)cc2c1OCO2 ZINC000108428674 412828891 /nfs/dbraw/zinc/82/88/91/412828891.db2.gz XRNRBXVSVMCXSL-GFCCVEGCSA-N 1 3 292.379 1.855 50 0 CDAAHO N[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262569272 190057609 /nfs/dbraw/zinc/05/76/09/190057609.db2.gz GBDOBAJGPYINKA-MGPQQGTHSA-N 1 3 261.369 1.320 50 0 CDAAHO CC(C)SCCN(C)C[C@H]1CCC[N@H+](CCO)C1 ZINC001529102166 968981695 /nfs/dbraw/zinc/98/16/95/968981695.db2.gz YWXJMWQXCFEVJS-CQSZACIVSA-N 1 3 274.474 1.764 50 0 CDAAHO CC(C)SCCN(C)C[C@H]1CCC[N@@H+](CCO)C1 ZINC001529102166 968981700 /nfs/dbraw/zinc/98/17/00/968981700.db2.gz YWXJMWQXCFEVJS-CQSZACIVSA-N 1 3 274.474 1.764 50 0 CDAAHO Cc1c[nH+]ccc1NCCNC(=O)CN1CCCC[C@@H]1C ZINC000020255294 935729776 /nfs/dbraw/zinc/72/97/76/935729776.db2.gz KITJBJWMFSVESH-AWEZNQCLSA-N 1 3 290.411 1.793 50 0 CDAAHO Cn1ccnc1CCN1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001506424941 975159069 /nfs/dbraw/zinc/15/90/69/975159069.db2.gz NEJCCXODTFQTLE-INIZCTEOSA-N 1 3 276.428 1.770 50 0 CDAAHO Cn1ccnc1CCN1CCC[C@]2(CCC[N@@H+](C)C2)C1 ZINC001506424941 975159072 /nfs/dbraw/zinc/15/90/72/975159072.db2.gz NEJCCXODTFQTLE-INIZCTEOSA-N 1 3 276.428 1.770 50 0 CDAAHO Cn1ccnc1CC[N@@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001506424941 975159073 /nfs/dbraw/zinc/15/90/73/975159073.db2.gz NEJCCXODTFQTLE-INIZCTEOSA-N 1 3 276.428 1.770 50 0 CDAAHO Cn1ccnc1CC[N@H+]1CCC[C@]2(CCCN(C)C2)C1 ZINC001506424941 975159075 /nfs/dbraw/zinc/15/90/75/975159075.db2.gz NEJCCXODTFQTLE-INIZCTEOSA-N 1 3 276.428 1.770 50 0 CDAAHO CNC(=O)CC[C@H]1CCCC[N@@H+]1CC1CCN(C)CC1 ZINC000585139270 342216596 /nfs/dbraw/zinc/21/65/96/342216596.db2.gz RKJXABGCXRFPER-OAHLLOKOSA-N 1 3 281.444 1.709 50 0 CDAAHO CNC(=O)CC[C@H]1CCCC[N@H+]1CC1CCN(C)CC1 ZINC000585139270 342216597 /nfs/dbraw/zinc/21/65/97/342216597.db2.gz RKJXABGCXRFPER-OAHLLOKOSA-N 1 3 281.444 1.709 50 0 CDAAHO COc1ccccc1COC[C@H](O)CNCCC[NH+](C)C ZINC000003418298 375031268 /nfs/dbraw/zinc/03/12/68/375031268.db2.gz WZPNBRVUKJBSTB-OAHLLOKOSA-N 1 3 296.411 1.114 50 0 CDAAHO CCOC(=O)N[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000240333297 376017709 /nfs/dbraw/zinc/01/77/09/376017709.db2.gz FCULVMSQGYSJCJ-SOUVJXGZSA-N 1 3 295.427 1.728 50 0 CDAAHO CCOC(=O)N[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000240333297 376017713 /nfs/dbraw/zinc/01/77/13/376017713.db2.gz FCULVMSQGYSJCJ-SOUVJXGZSA-N 1 3 295.427 1.728 50 0 CDAAHO CC[NH+]1CCC(NCCc2nncn2C(C)C)CC1 ZINC000823107064 925673401 /nfs/dbraw/zinc/67/34/01/925673401.db2.gz NGNXJPUPRHJUHS-UHFFFAOYSA-N 1 3 265.405 1.475 50 0 CDAAHO CN(CCC[NH+](C)C)C(=O)[C@H]1CCCCCN1C ZINC000823693045 925723855 /nfs/dbraw/zinc/72/38/55/925723855.db2.gz IIWGXPAXWXLVGG-CYBMUJFWSA-N 1 3 255.406 1.271 50 0 CDAAHO O[C@H]1CCCN(C2CC[NH+](CCCn3ccnc3)CC2)C1 ZINC001506400617 975148973 /nfs/dbraw/zinc/14/89/73/975148973.db2.gz FHVOBUZMMVUBJB-INIZCTEOSA-N 1 3 292.427 1.194 50 0 CDAAHO OCC1(O)CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000072121037 357826091 /nfs/dbraw/zinc/82/60/91/357826091.db2.gz DRMDHOVKVJYFES-LSDHHAIUSA-N 1 3 282.428 1.070 50 0 CDAAHO OCC1(O)CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000072121037 357826095 /nfs/dbraw/zinc/82/60/95/357826095.db2.gz DRMDHOVKVJYFES-LSDHHAIUSA-N 1 3 282.428 1.070 50 0 CDAAHO CCSCCNC[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063846831 280038052 /nfs/dbraw/zinc/03/80/52/280038052.db2.gz CBMKAGVJVZAIJY-ZIAGYGMSSA-N 1 3 272.458 1.709 50 0 CDAAHO CCSCCNC[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063846831 280038055 /nfs/dbraw/zinc/03/80/55/280038055.db2.gz CBMKAGVJVZAIJY-ZIAGYGMSSA-N 1 3 272.458 1.709 50 0 CDAAHO C[C@]1(C(=O)NCc2ccc3c(c2)CNC3)CCCC[NH2+]1 ZINC000188692017 525210099 /nfs/dbraw/zinc/21/00/99/525210099.db2.gz FSDOWXQIXHHTOR-MRXNPFEDSA-N 1 3 273.380 1.438 50 0 CDAAHO O[C@@H]1C[NH2+]CCN(Cc2cc(CN3CCCC3)cs2)C1 ZINC000097568757 358785190 /nfs/dbraw/zinc/78/51/90/358785190.db2.gz LECIHCOAKSZWCV-CQSZACIVSA-N 1 3 295.452 1.110 50 0 CDAAHO COc1cc2c(cc1OC)CN(CCCC[NH3+])CC2 ZINC000011953292 359968061 /nfs/dbraw/zinc/96/80/61/359968061.db2.gz HGKUCNGRZSPDQU-UHFFFAOYSA-N 1 3 264.369 1.801 50 0 CDAAHO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@H]1CCOC1 ZINC000253370148 373680224 /nfs/dbraw/zinc/68/02/24/373680224.db2.gz MRGQRPMHIAQTRD-IRXDYDNUSA-N 1 3 290.407 1.522 50 0 CDAAHO OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCOC1 ZINC000253370148 373680229 /nfs/dbraw/zinc/68/02/29/373680229.db2.gz MRGQRPMHIAQTRD-IRXDYDNUSA-N 1 3 290.407 1.522 50 0 CDAAHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245289580 378046222 /nfs/dbraw/zinc/04/62/22/378046222.db2.gz CTUMWRFFXBTOBG-ULQDDVLXSA-N 1 3 274.408 1.979 50 0 CDAAHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245289580 378046226 /nfs/dbraw/zinc/04/62/26/378046226.db2.gz CTUMWRFFXBTOBG-ULQDDVLXSA-N 1 3 274.408 1.979 50 0 CDAAHO NC[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757216158 574908137 /nfs/dbraw/zinc/90/81/37/574908137.db2.gz YCCRSESSTVICKV-VLEAKVRGSA-N 1 3 265.323 1.244 50 0 CDAAHO CCc1ncc(CNCCNc2cc[nH+]cc2C)cn1 ZINC000952968259 615774901 /nfs/dbraw/zinc/77/49/01/615774901.db2.gz BRRDPVJAZZKSEB-UHFFFAOYSA-N 1 3 271.368 1.366 50 0 CDAAHO Cc1nccn1CCC[N@@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000244748676 361862070 /nfs/dbraw/zinc/86/20/70/361862070.db2.gz OMFKUXYKUZTJEG-HOTGVXAUSA-N 1 3 292.427 1.113 50 0 CDAAHO Cc1nccn1CCC[N@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000244748676 361862076 /nfs/dbraw/zinc/86/20/76/361862076.db2.gz OMFKUXYKUZTJEG-HOTGVXAUSA-N 1 3 292.427 1.113 50 0 CDAAHO C[NH+](C)C[C@H]1[C@@H]2CN(Cc3cccc4nonc43)C[C@H]12 ZINC000584886917 349345896 /nfs/dbraw/zinc/34/58/96/349345896.db2.gz VDFKZOSMVCHATE-XYYAHUGASA-N 1 3 272.352 1.462 50 0 CDAAHO CN1CCN(C)[C@H](CC[N@H+](C)Cc2ccccc2)C1 ZINC000039538075 174169474 /nfs/dbraw/zinc/16/94/74/174169474.db2.gz YTMDVXWKDNFCLM-MRXNPFEDSA-N 1 3 261.413 1.754 50 0 CDAAHO CN1CCN(C)[C@H](CC[N@@H+](C)Cc2ccccc2)C1 ZINC000039538075 174169475 /nfs/dbraw/zinc/16/94/75/174169475.db2.gz YTMDVXWKDNFCLM-MRXNPFEDSA-N 1 3 261.413 1.754 50 0 CDAAHO [NH3+]C[C@H]1CN(Cc2cc(CN3CCCC3)cs2)CCO1 ZINC000065395268 303430407 /nfs/dbraw/zinc/43/04/07/303430407.db2.gz NUXKHPHMYUVCNY-AWEZNQCLSA-N 1 3 295.452 1.503 50 0 CDAAHO NC[C@@H]1CCC[NH2+][C@@H]1[C@H]1CC[C@@H](C(F)(F)F)NC1 ZINC000757216156 574908339 /nfs/dbraw/zinc/90/83/39/574908339.db2.gz YCCRSESSTVICKV-NAKRPEOUSA-N 1 3 265.323 1.244 50 0 CDAAHO [NH3+]C[C@H]1CCN(Cc2ccccc2Cn2cccn2)C1 ZINC000067725966 737695543 /nfs/dbraw/zinc/69/55/43/737695543.db2.gz QQDLRMGIVLAACV-CQSZACIVSA-N 1 3 270.380 1.712 50 0 CDAAHO CN(C)Cc1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000091545354 180186272 /nfs/dbraw/zinc/18/62/72/180186272.db2.gz CGOYEHCGEWDXTK-CHWSQXEVSA-N 1 3 261.369 1.814 50 0 CDAAHO CCC(CC)(C[NH3+])C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000261635747 359546751 /nfs/dbraw/zinc/54/67/51/359546751.db2.gz DEFYUULXLSEVAW-OLZOCXBDSA-N 1 3 269.433 1.693 50 0 CDAAHO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C[C@@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299757368 372745874 /nfs/dbraw/zinc/74/58/74/372745874.db2.gz IGBIADUEVDGXDI-OIPACUDHSA-N 1 3 299.418 1.709 50 0 CDAAHO C[NH+]1CCC(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)CC1 ZINC000097776295 289873171 /nfs/dbraw/zinc/87/31/71/289873171.db2.gz QGWKAVNIEBJMAU-GJZGRUSLSA-N 1 3 273.380 1.069 50 0 CDAAHO O=C(CN1CCCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000827911323 925991557 /nfs/dbraw/zinc/99/15/57/925991557.db2.gz XLPNESXOGCOPRY-UHFFFAOYSA-N 1 3 293.455 1.949 50 0 CDAAHO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000091394227 180145703 /nfs/dbraw/zinc/14/57/03/180145703.db2.gz JFVQQBOBSJMSDM-CABCVRRESA-N 1 3 275.396 1.629 50 0 CDAAHO Cc1nccn1CCN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000244900247 358725019 /nfs/dbraw/zinc/72/50/19/358725019.db2.gz ZYNJXYQEOASMMI-OAHLLOKOSA-N 1 3 264.417 1.998 50 0 CDAAHO Cc1nccn1CCN(C)CC[C@H]1CCCC[N@H+]1C ZINC000244900247 358725028 /nfs/dbraw/zinc/72/50/28/358725028.db2.gz ZYNJXYQEOASMMI-OAHLLOKOSA-N 1 3 264.417 1.998 50 0 CDAAHO Cc1nccn1CC[N@@H+](C)CC[C@H]1CCCCN1C ZINC000244900247 358725033 /nfs/dbraw/zinc/72/50/33/358725033.db2.gz ZYNJXYQEOASMMI-OAHLLOKOSA-N 1 3 264.417 1.998 50 0 CDAAHO Cc1nccn1CC[N@H+](C)CC[C@H]1CCCCN1C ZINC000244900247 358725038 /nfs/dbraw/zinc/72/50/38/358725038.db2.gz ZYNJXYQEOASMMI-OAHLLOKOSA-N 1 3 264.417 1.998 50 0 CDAAHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000245418552 285238390 /nfs/dbraw/zinc/23/83/90/285238390.db2.gz GPAZVHSRZKTBAT-MELADBBJSA-N 1 3 267.417 1.447 50 0 CDAAHO COc1ccc(CNCCN2CC[NH2+]CC2)cc1Cl ZINC000020968566 171282742 /nfs/dbraw/zinc/28/27/42/171282742.db2.gz LXFXDIFKFRCGAY-UHFFFAOYSA-N 1 3 283.803 1.343 50 0 CDAAHO CC[NH+](CC)CCC[C@]1(C)NCCc2nc[nH]c21 ZINC000065492161 276098060 /nfs/dbraw/zinc/09/80/60/276098060.db2.gz QPOXZVUVIWXHRA-AWEZNQCLSA-N 1 3 250.390 1.893 50 0 CDAAHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000094459749 288303579 /nfs/dbraw/zinc/30/35/79/288303579.db2.gz ZRAXDDXGRDMKBG-YIYPIFLZSA-N 1 3 265.401 1.199 50 0 CDAAHO Nc1ccncc1-c1cc2c(c(F)c1)O[C@@H](C[NH3+])C2 ZINC000071278968 545505001 /nfs/dbraw/zinc/50/50/01/545505001.db2.gz UADHMDOACSVWKL-SNVBAGLBSA-N 1 3 259.284 1.732 50 0 CDAAHO C[C@](O)(C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000383298905 745044849 /nfs/dbraw/zinc/04/48/49/745044849.db2.gz MUVZXKOEFIGQEJ-ULQDDVLXSA-N 1 3 274.408 1.955 50 0 CDAAHO C[C@](O)(C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000383298905 745044853 /nfs/dbraw/zinc/04/48/53/745044853.db2.gz MUVZXKOEFIGQEJ-ULQDDVLXSA-N 1 3 274.408 1.955 50 0 CDAAHO C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCC[NH2+]2)CCN1C ZINC000262661895 362015742 /nfs/dbraw/zinc/01/57/42/362015742.db2.gz GLOAGJCUJXZTHD-FRRDWIJNSA-N 1 3 253.390 1.070 50 0 CDAAHO [NH3+]C[C@@H]1CN(Cc2cc(CN3CCCC3)cs2)CCO1 ZINC000065395267 357536771 /nfs/dbraw/zinc/53/67/71/357536771.db2.gz NUXKHPHMYUVCNY-CQSZACIVSA-N 1 3 295.452 1.503 50 0 CDAAHO CNCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000299739501 375199968 /nfs/dbraw/zinc/19/99/68/375199968.db2.gz PKDZGVWNVDQEIN-KGLIPLIRSA-N 1 3 267.417 1.319 50 0 CDAAHO CNCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299739501 375199974 /nfs/dbraw/zinc/19/99/74/375199974.db2.gz PKDZGVWNVDQEIN-KGLIPLIRSA-N 1 3 267.417 1.319 50 0 CDAAHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(C(F)(F)F)c1 ZINC000000098181 390134181 /nfs/dbraw/zinc/13/41/81/390134181.db2.gz MMFKOLPHNNHIDJ-UHFFFAOYSA-N 1 3 285.273 1.891 50 0 CDAAHO Cc1nc[nH]c1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000077322132 177252898 /nfs/dbraw/zinc/25/28/98/177252898.db2.gz HPNFLUVEGVQVOG-UHFFFAOYSA-N 1 3 278.400 1.262 50 0 CDAAHO CN1CCC[C@H]1CC[NH2+]C1CSCCSC1 ZINC000952968264 749844670 /nfs/dbraw/zinc/84/46/70/749844670.db2.gz KSCZDCAGNKLBND-LBPRGKRZSA-N 1 3 260.472 1.909 50 0 CDAAHO C[N@@H+]1CCC[C@H]1CCNC1CSCCSC1 ZINC000952968264 749844673 /nfs/dbraw/zinc/84/46/73/749844673.db2.gz KSCZDCAGNKLBND-LBPRGKRZSA-N 1 3 260.472 1.909 50 0 CDAAHO C[N@H+]1CCC[C@H]1CCNC1CSCCSC1 ZINC000952968264 749844677 /nfs/dbraw/zinc/84/46/77/749844677.db2.gz KSCZDCAGNKLBND-LBPRGKRZSA-N 1 3 260.472 1.909 50 0 CDAAHO CCCN1CCC([NH2+]C[C@@H](O)c2ccncc2)CC1 ZINC000095985132 185055324 /nfs/dbraw/zinc/05/53/24/185055324.db2.gz MXUPRHXCXXCALZ-OAHLLOKOSA-N 1 3 263.385 1.579 50 0 CDAAHO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000016124113 356431596 /nfs/dbraw/zinc/43/15/96/356431596.db2.gz DUNDIGFYPOUEEK-CYBMUJFWSA-N 1 3 297.443 1.975 50 0 CDAAHO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000016124113 356431599 /nfs/dbraw/zinc/43/15/99/356431599.db2.gz DUNDIGFYPOUEEK-CYBMUJFWSA-N 1 3 297.443 1.975 50 0 CDAAHO CC[C@H](N)C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246750761 379644302 /nfs/dbraw/zinc/64/43/02/379644302.db2.gz ZVKPLFGNDYTKEV-ILXRZTDVSA-N 1 3 281.444 1.837 50 0 CDAAHO CC[C@H](N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246750761 379644308 /nfs/dbraw/zinc/64/43/08/379644308.db2.gz ZVKPLFGNDYTKEV-ILXRZTDVSA-N 1 3 281.444 1.837 50 0 CDAAHO [NH3+]CC1CCN(Cc2cc(=O)c3ccccc3[nH]2)CC1 ZINC000534579054 328311286 /nfs/dbraw/zinc/31/12/86/328311286.db2.gz HCSBYOGVEVHERP-UHFFFAOYSA-N 1 3 271.364 1.699 50 0 CDAAHO NC[C@@H]1CC[C@H]([C@H]2CC[C@@H](C(F)(F)F)NC2)[NH2+]C1 ZINC000757209908 577035822 /nfs/dbraw/zinc/03/58/22/577035822.db2.gz GPSDDLHWXJHUCF-MMWGEVLESA-N 1 3 265.323 1.244 50 0 CDAAHO O=C(NC1CCN(Cc2cccs2)CC1)[C@@H]1C=CC[NH2+]1 ZINC000827690922 925955915 /nfs/dbraw/zinc/95/59/15/925955915.db2.gz MZVZTDOQSONIAQ-AWEZNQCLSA-N 1 3 291.420 1.357 50 0 CDAAHO CN(C)C[C@@H]1COCC[N@@H+](C2CSCCSC2)C1 ZINC000584900324 349362365 /nfs/dbraw/zinc/36/23/65/349362365.db2.gz FVZCZUTWEOSAGT-LBPRGKRZSA-N 1 3 290.498 1.345 50 0 CDAAHO CN(C)C[C@@H]1COCC[N@H+](C2CSCCSC2)C1 ZINC000584900324 349362368 /nfs/dbraw/zinc/36/23/68/349362368.db2.gz FVZCZUTWEOSAGT-LBPRGKRZSA-N 1 3 290.498 1.345 50 0 CDAAHO CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(Br)cc1 ZINC000000146421 355890877 /nfs/dbraw/zinc/89/08/77/355890877.db2.gz LLRTYNPSGQWCLZ-UHFFFAOYSA-N 1 3 296.172 1.635 50 0 CDAAHO CCCC[C@@H](N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000252513903 367726513 /nfs/dbraw/zinc/72/65/13/367726513.db2.gz AQWQWFFHNJJHCD-UKRRQHHQSA-N 1 3 281.444 1.979 50 0 CDAAHO CCCC[C@@H](N)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000252513903 367726516 /nfs/dbraw/zinc/72/65/16/367726516.db2.gz AQWQWFFHNJJHCD-UKRRQHHQSA-N 1 3 281.444 1.979 50 0 CDAAHO CNCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299738465 375199631 /nfs/dbraw/zinc/19/96/31/375199631.db2.gz BDLHYPLZEHHBHX-GDBMZVCRSA-N 1 3 289.423 1.575 50 0 CDAAHO CNCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000299738465 375199636 /nfs/dbraw/zinc/19/96/36/375199636.db2.gz BDLHYPLZEHHBHX-GDBMZVCRSA-N 1 3 289.423 1.575 50 0 CDAAHO O[C@@]1(C[NH2+]CCSCc2ccccc2)CCCNC1 ZINC000077517672 177277786 /nfs/dbraw/zinc/27/77/86/177277786.db2.gz LVKQKCLMDFSJNP-HNNXBMFYSA-N 1 3 280.437 1.624 50 0 CDAAHO O=C([C@@H]1CCC[NH2+]CC1)N1CCCN(C2CCCC2)CC1 ZINC000534649341 328343891 /nfs/dbraw/zinc/34/38/91/328343891.db2.gz CGVXHULNVUWRNV-OAHLLOKOSA-N 1 3 293.455 1.853 50 0 CDAAHO COc1ccc2c(CN3CC[C@H](C[NH3+])C3)cn(C)c2c1 ZINC000071749579 758867985 /nfs/dbraw/zinc/86/79/85/758867985.db2.gz QJOZLHOTRLWWPP-GFCCVEGCSA-N 1 3 273.380 1.968 50 0 CDAAHO O[C@H](CNCCc1ccccc1)C[NH+]1CCCCC1 ZINC000312083906 768888960 /nfs/dbraw/zinc/88/89/60/768888960.db2.gz VKFRUJGLKJYKNF-MRXNPFEDSA-N 1 3 262.397 1.666 50 0 CDAAHO COc1ccc2c(CN3CC[C@@H](C[NH3+])C3)cn(C)c2c1 ZINC000071749580 768898472 /nfs/dbraw/zinc/89/84/72/768898472.db2.gz QJOZLHOTRLWWPP-LBPRGKRZSA-N 1 3 273.380 1.968 50 0 CDAAHO Cc1cc(N2CCCN(CCn3cncn3)CC2)cc[nH+]1 ZINC000252482351 771235080 /nfs/dbraw/zinc/23/50/80/771235080.db2.gz DDQLDLZGDXYQSE-UHFFFAOYSA-N 1 3 286.383 1.194 50 0 CDAAHO C[NH2+]C[C@@H]1CCCN(CCCn2ccnc2C)C1 ZINC000244678647 361857428 /nfs/dbraw/zinc/85/74/28/361857428.db2.gz IHNGQYRMKWWXBO-AWEZNQCLSA-N 1 3 250.390 1.513 50 0 CDAAHO Clc1ccc(N2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)nc1 ZINC000102775612 358890922 /nfs/dbraw/zinc/89/09/22/358890922.db2.gz YMBDVQKAYRLKJR-WDNDVIMCSA-N 1 3 292.814 1.322 50 0 CDAAHO Cc1ncc(CN2CCC(CO)(C[NH+]3CCCC3)CC2)[nH]1 ZINC000223180846 359406787 /nfs/dbraw/zinc/40/67/87/359406787.db2.gz UQCDQHPQUQKLPD-UHFFFAOYSA-N 1 3 292.427 1.388 50 0 CDAAHO OC[C@H]1CN(Cc2ccccc2F)CC12CC[NH2+]CC2 ZINC000409421500 360231753 /nfs/dbraw/zinc/23/17/53/360231753.db2.gz ZLJCQDUIHBAHHP-CQSZACIVSA-N 1 3 278.371 1.620 50 0 CDAAHO Cc1ncsc1CN1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426369459 360659948 /nfs/dbraw/zinc/65/99/48/360659948.db2.gz XQGHVVQQRDNKLL-UHFFFAOYSA-N 1 3 294.468 1.711 50 0 CDAAHO CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000238852836 376014523 /nfs/dbraw/zinc/01/45/23/376014523.db2.gz HHSHRDJOGQTWNB-IMJJTQAJSA-N 1 3 293.455 1.850 50 0 CDAAHO CN(CCO)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450371813 251251405 /nfs/dbraw/zinc/25/14/05/251251405.db2.gz KLJJSCNDYSHHIL-UHFFFAOYSA-N 1 3 252.402 1.875 50 0 CDAAHO CC[C@H](O)[C@@H]1CCCCN1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424713 390515727 /nfs/dbraw/zinc/51/57/27/390515727.db2.gz VOJUROBBYILNPW-IKGGRYGDSA-N 1 3 298.471 1.705 50 0 CDAAHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(N)CCCC2)C1 ZINC000067726497 277390522 /nfs/dbraw/zinc/39/05/22/277390522.db2.gz NNUYZIFHLHGZKP-AWEZNQCLSA-N 1 3 281.444 1.742 50 0 CDAAHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2(N)CCCC2)C1 ZINC000067726497 277390523 /nfs/dbraw/zinc/39/05/23/277390523.db2.gz NNUYZIFHLHGZKP-AWEZNQCLSA-N 1 3 281.444 1.742 50 0 CDAAHO O=C([C@H]1CCC[NH2+]CC1)N1CCCN(C2CCCC2)CC1 ZINC000534649340 328343873 /nfs/dbraw/zinc/34/38/73/328343873.db2.gz CGVXHULNVUWRNV-HNNXBMFYSA-N 1 3 293.455 1.853 50 0 CDAAHO COC[C@@H](O)C[NH+]1CCC(NCc2cccc(C)c2)CC1 ZINC000089800813 327173590 /nfs/dbraw/zinc/17/35/90/327173590.db2.gz QQWMSFRMJULHMO-KRWDZBQOSA-N 1 3 292.423 1.556 50 0 CDAAHO N[C@@H](c1ccsc1C(F)(F)F)C1(O)CC[NH2+]CC1 ZINC000958528561 780105188 /nfs/dbraw/zinc/10/51/88/780105188.db2.gz QSQRAYAXHJMYHX-QMMMGPOBSA-N 1 3 280.315 1.881 50 0 CDAAHO C[C@@H]1CNCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000124579571 187144203 /nfs/dbraw/zinc/14/42/03/187144203.db2.gz IGHMFRILLQZTMV-CQSZACIVSA-N 1 3 287.407 1.716 50 0 CDAAHO C[NH2+]C[C@H]1CCCN(CCCn2ccnc2C)C1 ZINC000244678648 361857107 /nfs/dbraw/zinc/85/71/07/361857107.db2.gz IHNGQYRMKWWXBO-CQSZACIVSA-N 1 3 250.390 1.513 50 0 CDAAHO CC(C)N1CCCN(C(=O)[C@](C)([NH3+])C2CC2)CC1 ZINC000095996130 539088252 /nfs/dbraw/zinc/08/82/52/539088252.db2.gz SJLWCXCJDQATFR-CQSZACIVSA-N 1 3 253.390 1.057 50 0 CDAAHO C[N@@H+]1CCC[C@@H](N2CCN(CC3CCC3)CC2)C1 ZINC000078950028 350881236 /nfs/dbraw/zinc/88/12/36/350881236.db2.gz XSNTXNRKTXIXHL-OAHLLOKOSA-N 1 3 251.418 1.498 50 0 CDAAHO C[N@H+]1CCC[C@@H](N2CCN(CC3CCC3)CC2)C1 ZINC000078950028 350881238 /nfs/dbraw/zinc/88/12/38/350881238.db2.gz XSNTXNRKTXIXHL-OAHLLOKOSA-N 1 3 251.418 1.498 50 0 CDAAHO C[C@@H](C1CCN(c2ccncc2)CC1)[NH+]1CCN(C)CC1 ZINC000077519419 278220013 /nfs/dbraw/zinc/22/00/13/278220013.db2.gz FUYDDDYABPZCIZ-HNNXBMFYSA-N 1 3 288.439 1.934 50 0 CDAAHO COc1ncccc1CNCCNc1cc[nH+]cc1C ZINC000952983956 910548611 /nfs/dbraw/zinc/54/86/11/910548611.db2.gz YNKZEANDBIBMMO-UHFFFAOYSA-N 1 3 272.352 1.417 50 0 CDAAHO CCN1CCC[C@]2(CCC[N@H+](CCn3cnnc3C)C2)C1 ZINC001506412864 975154548 /nfs/dbraw/zinc/15/45/48/975154548.db2.gz PDDDGCFFKONEOJ-INIZCTEOSA-N 1 3 291.443 1.784 50 0 CDAAHO CCN1CCC[C@]2(CCC[N@@H+](CCn3cnnc3C)C2)C1 ZINC001506412864 975154550 /nfs/dbraw/zinc/15/45/50/975154550.db2.gz PDDDGCFFKONEOJ-INIZCTEOSA-N 1 3 291.443 1.784 50 0 CDAAHO CN(C)CCOc1ccccc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179071164 362249815 /nfs/dbraw/zinc/24/98/15/362249815.db2.gz LAKDQKFRKFQYMR-CYBMUJFWSA-N 1 3 291.395 1.061 50 0 CDAAHO Cc1ccc(OCC[NH2+]C[C@]2(O)CCCNC2)cc1C ZINC000072419084 357833883 /nfs/dbraw/zinc/83/38/83/357833883.db2.gz DTTXRRYGPDNSJS-INIZCTEOSA-N 1 3 278.396 1.386 50 0 CDAAHO CCCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000408523353 283322080 /nfs/dbraw/zinc/32/20/80/283322080.db2.gz RGTXIGOLOJSJPJ-KBPBESRZSA-N 1 3 267.417 1.319 50 0 CDAAHO [NH3+]C[C@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000299796701 372768770 /nfs/dbraw/zinc/76/87/70/372768770.db2.gz NNRDPAMZOBUCSF-CQSZACIVSA-N 1 3 261.369 1.554 50 0 CDAAHO OC1CC[NH+]([C@@H]2CCN(CC3CCCC3)C[C@H]2O)CC1 ZINC000012710406 376973076 /nfs/dbraw/zinc/97/30/76/376973076.db2.gz AKODJGBLUQQEFM-HZPDHXFCSA-N 1 3 282.428 1.069 50 0 CDAAHO Nc1ccncc1-c1cc2c(c(F)c1)O[C@H](C[NH3+])C2 ZINC000071278967 545504921 /nfs/dbraw/zinc/50/49/21/545504921.db2.gz UADHMDOACSVWKL-JTQLQIEISA-N 1 3 259.284 1.732 50 0 CDAAHO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CCNCC2)C1 ZINC000090635763 180016703 /nfs/dbraw/zinc/01/67/03/180016703.db2.gz XQUKBFCAOSSEKZ-LBPRGKRZSA-N 1 3 269.389 1.337 50 0 CDAAHO c1ccc(CCCN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000097568831 360994057 /nfs/dbraw/zinc/99/40/57/360994057.db2.gz HAPQWJXHZHQEBR-QGZVFWFLSA-N 1 3 273.424 1.599 50 0 CDAAHO C[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN(C)C)c2)C1 ZINC000178981991 277033335 /nfs/dbraw/zinc/03/33/35/277033335.db2.gz SRFIGAGRVJOMOK-CQSZACIVSA-N 1 3 275.396 1.430 50 0 CDAAHO NC[C@@H]1CC[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)[NH2+]C1 ZINC000757209913 577036136 /nfs/dbraw/zinc/03/61/36/577036136.db2.gz GPSDDLHWXJHUCF-ZDCRXTMVSA-N 1 3 265.323 1.244 50 0 CDAAHO Cc1nccn1CCCN(C)C[C@@H]1CCCC[N@@H+]1C ZINC000243956735 937589103 /nfs/dbraw/zinc/58/91/03/937589103.db2.gz CCZLXCAKDBMDIK-HNNXBMFYSA-N 1 3 264.417 1.998 50 0 CDAAHO Cc1nccn1CCCN(C)C[C@@H]1CCCC[N@H+]1C ZINC000243956735 937589105 /nfs/dbraw/zinc/58/91/05/937589105.db2.gz CCZLXCAKDBMDIK-HNNXBMFYSA-N 1 3 264.417 1.998 50 0 CDAAHO FC(F)(F)CN1CC[C@H](N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000107524939 398151622 /nfs/dbraw/zinc/15/16/22/398151622.db2.gz PYYKMKAJZAWCMR-YNEHKIRRSA-N 1 3 291.361 1.839 50 0 CDAAHO FC(F)(F)CN1CC[C@H](N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000107524939 398151626 /nfs/dbraw/zinc/15/16/26/398151626.db2.gz PYYKMKAJZAWCMR-YNEHKIRRSA-N 1 3 291.361 1.839 50 0 CDAAHO CC[C@]1(CO)CCC[N@@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192841585 529431420 /nfs/dbraw/zinc/43/14/20/529431420.db2.gz GVTFDKSWWCDIFQ-QGZVFWFLSA-N 1 3 297.487 1.639 50 0 CDAAHO CC[C@]1(CO)CCC[N@H+]1CCCN1CCN(C(C)C)CC1 ZINC000192841585 529431421 /nfs/dbraw/zinc/43/14/21/529431421.db2.gz GVTFDKSWWCDIFQ-QGZVFWFLSA-N 1 3 297.487 1.639 50 0 CDAAHO CC[N@@H+]1CCC[C@@](C)(CN2CCC(CO)CC2)C1 ZINC000019642384 374767995 /nfs/dbraw/zinc/76/79/95/374767995.db2.gz OLMDMUBUWKXJLF-OAHLLOKOSA-N 1 3 254.418 1.813 50 0 CDAAHO CC[N@H+]1CCC[C@@](C)(CN2CCC(CO)CC2)C1 ZINC000019642384 374767999 /nfs/dbraw/zinc/76/79/99/374767999.db2.gz OLMDMUBUWKXJLF-OAHLLOKOSA-N 1 3 254.418 1.813 50 0 CDAAHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000299738716 375200358 /nfs/dbraw/zinc/20/03/58/375200358.db2.gz FMRYHZJVWARLMI-MELADBBJSA-N 1 3 267.417 1.447 50 0 CDAAHO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CN ZINC000299739976 390595810 /nfs/dbraw/zinc/59/58/10/390595810.db2.gz UIGOCNAEAOLZRH-UKRRQHHQSA-N 1 3 275.396 1.314 50 0 CDAAHO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CN ZINC000299739976 390595814 /nfs/dbraw/zinc/59/58/14/390595814.db2.gz UIGOCNAEAOLZRH-UKRRQHHQSA-N 1 3 275.396 1.314 50 0 CDAAHO Cc1c[nH+]ccc1N1CCN(CCCn2cccn2)CC1 ZINC000825253415 925857210 /nfs/dbraw/zinc/85/72/10/925857210.db2.gz NMLUCZNYYQEUJQ-UHFFFAOYSA-N 1 3 285.395 1.799 50 0 CDAAHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000263263680 362409390 /nfs/dbraw/zinc/40/93/90/362409390.db2.gz NABVAZOHCMCGMX-ZIAGYGMSSA-N 1 3 281.444 1.837 50 0 CDAAHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000263263680 362409391 /nfs/dbraw/zinc/40/93/91/362409391.db2.gz NABVAZOHCMCGMX-ZIAGYGMSSA-N 1 3 281.444 1.837 50 0 CDAAHO C[NH2+]CC(=O)N1CCCN(CCCc2ccccc2)CC1 ZINC000071639251 277263488 /nfs/dbraw/zinc/26/34/88/277263488.db2.gz BVRUNOOCHMSQQO-UHFFFAOYSA-N 1 3 289.423 1.373 50 0 CDAAHO [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000262245053 295303796 /nfs/dbraw/zinc/30/37/96/295303796.db2.gz CHBVKLNZILPMTA-OAGGEKHMSA-N 1 3 293.455 1.981 50 0 CDAAHO CC[C@H](C(=O)NCC(C)(C)[NH+]1CCCC1)N(C)CC ZINC000822554852 1161928659 /nfs/dbraw/zinc/92/86/59/1161928659.db2.gz OGBLGSWAWYYMTC-CYBMUJFWSA-N 1 3 269.433 1.707 50 0 CDAAHO CN(C)C[C@@H](O)c1cc2n(n1)CCC[N@H+](CC1CCC1)C2 ZINC000222782536 230398565 /nfs/dbraw/zinc/39/85/65/230398565.db2.gz SNISBODOUULBRR-MRXNPFEDSA-N 1 3 292.427 1.484 50 0 CDAAHO CN(C)C[C@@H](O)c1cc2n(n1)CCC[N@@H+](CC1CCC1)C2 ZINC000222782536 230398566 /nfs/dbraw/zinc/39/85/66/230398566.db2.gz SNISBODOUULBRR-MRXNPFEDSA-N 1 3 292.427 1.484 50 0 CDAAHO NC[C@@]12CCC[C@@H](C[N@H+](Cc3ccccc3)C1)[C@H]2O ZINC000238855101 360560969 /nfs/dbraw/zinc/56/09/69/360560969.db2.gz QLVGVVNOORRUNH-XHSDSOJGSA-N 1 3 260.381 1.608 50 0 CDAAHO NC[C@@]12CCC[C@@H](C[N@@H+](Cc3ccccc3)C1)[C@H]2O ZINC000238855101 360560972 /nfs/dbraw/zinc/56/09/72/360560972.db2.gz QLVGVVNOORRUNH-XHSDSOJGSA-N 1 3 260.381 1.608 50 0 CDAAHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+](C)C1CC1 ZINC000095351211 374888355 /nfs/dbraw/zinc/88/83/55/374888355.db2.gz OSQJQCFMHFHPBR-LBPRGKRZSA-N 1 3 294.443 1.395 50 0 CDAAHO C[C@@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+](C)C1CC1 ZINC000095351211 374888359 /nfs/dbraw/zinc/88/83/59/374888359.db2.gz OSQJQCFMHFHPBR-LBPRGKRZSA-N 1 3 294.443 1.395 50 0 CDAAHO CC(=O)N[C@H]1CCN(C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000055132485 392864743 /nfs/dbraw/zinc/86/47/43/392864743.db2.gz FXFBVSQNYRPCCA-HRCADAONSA-N 1 3 279.428 1.461 50 0 CDAAHO CC(=O)N[C@H]1CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000055132485 392864747 /nfs/dbraw/zinc/86/47/47/392864747.db2.gz FXFBVSQNYRPCCA-HRCADAONSA-N 1 3 279.428 1.461 50 0 CDAAHO NCc1cn(C[C@H]2CCC[N@H+](Cc3ccoc3)C2)nn1 ZINC000023153347 1159182077 /nfs/dbraw/zinc/18/20/77/1159182077.db2.gz CDTKNANCITWCKM-LBPRGKRZSA-N 1 3 275.356 1.242 50 0 CDAAHO NCc1cn(C[C@H]2CCC[N@@H+](Cc3ccoc3)C2)nn1 ZINC000023153347 1159182085 /nfs/dbraw/zinc/18/20/85/1159182085.db2.gz CDTKNANCITWCKM-LBPRGKRZSA-N 1 3 275.356 1.242 50 0 CDAAHO CCCN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000022913454 812095482 /nfs/dbraw/zinc/09/54/82/812095482.db2.gz CNQXMKLWGIKOKQ-KRWDZBQOSA-N 1 3 297.487 1.638 50 0 CDAAHO CN1CCC[C@@H]1CC[NH2+]C1CSCCSC1 ZINC000952968254 910535074 /nfs/dbraw/zinc/53/50/74/910535074.db2.gz KSCZDCAGNKLBND-GFCCVEGCSA-N 1 3 260.472 1.909 50 0 CDAAHO C[N@@H+]1CCC[C@@H]1CCNC1CSCCSC1 ZINC000952968254 910535081 /nfs/dbraw/zinc/53/50/81/910535081.db2.gz KSCZDCAGNKLBND-GFCCVEGCSA-N 1 3 260.472 1.909 50 0 CDAAHO C[N@H+]1CCC[C@@H]1CCNC1CSCCSC1 ZINC000952968254 910535089 /nfs/dbraw/zinc/53/50/89/910535089.db2.gz KSCZDCAGNKLBND-GFCCVEGCSA-N 1 3 260.472 1.909 50 0 CDAAHO O[C@H]1CCC[N@H+](CCCNc2ccnc3ccccc32)C1 ZINC000828627372 926151125 /nfs/dbraw/zinc/15/11/25/926151125.db2.gz IUWYJYFBIHHISJ-AWEZNQCLSA-N 1 3 285.391 1.915 50 0 CDAAHO O[C@H]1CCC[N@@H+](CCCNc2ccnc3ccccc32)C1 ZINC000828627372 926151127 /nfs/dbraw/zinc/15/11/27/926151127.db2.gz IUWYJYFBIHHISJ-AWEZNQCLSA-N 1 3 285.391 1.915 50 0 CDAAHO C[NH+](C)C[C@H]1[C@@H]2CN(Cc3cccn3-c3ncccn3)C[C@H]12 ZINC000102653967 358885406 /nfs/dbraw/zinc/88/54/06/358885406.db2.gz LULYOXQPEVVPOJ-PHZGNYQRSA-N 1 3 297.406 1.507 50 0 CDAAHO [NH3+]CCC(=O)N1C[C@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071757198 176260830 /nfs/dbraw/zinc/26/08/30/176260830.db2.gz MLNRXEVXHAVJLK-KBAYOESNSA-N 1 3 299.418 1.424 50 0 CDAAHO C(C[NH+]1CCCCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000096455417 527481638 /nfs/dbraw/zinc/48/16/38/527481638.db2.gz RGIJKQAVPNXBET-INIZCTEOSA-N 1 3 281.444 1.126 50 0 CDAAHO OC[C@@H]1C[NH2+]CCC12CCN(Cc1cccs1)CC2 ZINC000097654154 358790138 /nfs/dbraw/zinc/79/01/38/358790138.db2.gz SBYHBEJYHMLQJI-ZDUSSCGKSA-N 1 3 280.437 1.932 50 0 CDAAHO C[C@@H]1CN(C2CC[NH+](C[C@@H]3CCN(C)C3)CC2)CCO1 ZINC000089941158 366973882 /nfs/dbraw/zinc/97/38/82/366973882.db2.gz DZWZLLBGFSDSOG-HUUCEWRRSA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@@H]1CN(C2CCN(C[C@@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000089941158 366973887 /nfs/dbraw/zinc/97/38/87/366973887.db2.gz DZWZLLBGFSDSOG-HUUCEWRRSA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@@H]1CN(C2CCN(C[C@@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000089941158 366973896 /nfs/dbraw/zinc/97/38/96/366973896.db2.gz DZWZLLBGFSDSOG-HUUCEWRRSA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000261662664 391954110 /nfs/dbraw/zinc/95/41/10/391954110.db2.gz ABSKSSMOMWOFJJ-MGPQQGTHSA-N 1 3 267.417 1.447 50 0 CDAAHO C[C@@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000261662664 391954113 /nfs/dbraw/zinc/95/41/13/391954113.db2.gz ABSKSSMOMWOFJJ-MGPQQGTHSA-N 1 3 267.417 1.447 50 0 CDAAHO O=C(CN1CCCCCC1)NCC[C@H]1CCCC[NH2+]1 ZINC001506415726 975155905 /nfs/dbraw/zinc/15/59/05/975155905.db2.gz BYMGJVULSFJCSA-CQSZACIVSA-N 1 3 267.417 1.511 50 0 CDAAHO OCCCCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000247764694 358762848 /nfs/dbraw/zinc/76/28/48/358762848.db2.gz JUEBTNNNOCUEPL-KFWWJZLASA-N 1 3 252.402 1.565 50 0 CDAAHO OCCCCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000247764694 358762851 /nfs/dbraw/zinc/76/28/51/358762851.db2.gz JUEBTNNNOCUEPL-KFWWJZLASA-N 1 3 252.402 1.565 50 0 CDAAHO CCCC[C@H]1C(=O)N(C)CCN1C[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244659792 376033703 /nfs/dbraw/zinc/03/37/03/376033703.db2.gz HIRWQPVJWSGVEY-ZNMIVQPWSA-N 1 3 281.444 1.837 50 0 CDAAHO CN1CCN(C)[C@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000068806320 277103268 /nfs/dbraw/zinc/10/32/68/277103268.db2.gz UJAGGMFMHAYPFX-CYBMUJFWSA-N 1 3 270.380 1.893 50 0 CDAAHO CC(C)(CN1CCCCC1)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000534647266 328342741 /nfs/dbraw/zinc/34/27/41/328342741.db2.gz REECXSFTGKYAHT-CQSZACIVSA-N 1 3 281.444 1.757 50 0 CDAAHO CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000685939632 539045781 /nfs/dbraw/zinc/04/57/81/539045781.db2.gz VZBYTCIFFDEURJ-OAGGEKHMSA-N 1 3 293.455 1.659 50 0 CDAAHO CC(C)C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000685939632 539045782 /nfs/dbraw/zinc/04/57/82/539045782.db2.gz VZBYTCIFFDEURJ-OAGGEKHMSA-N 1 3 293.455 1.659 50 0 CDAAHO C[C@@H]1C[C@H](NC(=O)CC[NH3+])CN1Cc1ccccc1 ZINC000200644398 364918681 /nfs/dbraw/zinc/91/86/81/364918681.db2.gz OYLLMQUUEAKRES-OCCSQVGLSA-N 1 3 261.369 1.114 50 0 CDAAHO Cc1cccc(CNCCNc2cc[nH+]cc2C)n1 ZINC000952990291 837372353 /nfs/dbraw/zinc/37/23/53/837372353.db2.gz HTAFLWGXNCYWQT-UHFFFAOYSA-N 1 3 256.353 1.717 50 0 CDAAHO c1ncc(C[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)cn1 ZINC000952960214 910469415 /nfs/dbraw/zinc/46/94/15/910469415.db2.gz LZKYBDXUGRBJJQ-LSDHHAIUSA-N 1 3 260.385 1.831 50 0 CDAAHO CC(C)NC(=O)C[C@H](C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000252477639 361840137 /nfs/dbraw/zinc/84/01/37/361840137.db2.gz RVLZQKRZMPYGSR-HZSPNIEDSA-N 1 3 269.433 1.608 50 0 CDAAHO CC(C)NC(=O)C[C@H](C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000252477639 361840145 /nfs/dbraw/zinc/84/01/45/361840145.db2.gz RVLZQKRZMPYGSR-HZSPNIEDSA-N 1 3 269.433 1.608 50 0 CDAAHO CC(C)(C)OC(=O)NCC1CC[NH+](C2CCNCC2)CC1 ZINC000016124107 356431145 /nfs/dbraw/zinc/43/11/45/356431145.db2.gz YOQSKBHJINOZQI-UHFFFAOYSA-N 1 3 297.443 1.975 50 0 CDAAHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1Nc1cnn(CCN(C)C)c1 ZINC000097037672 375139157 /nfs/dbraw/zinc/13/91/57/375139157.db2.gz QSJBCARSVWVSQO-NFAWXSAZSA-N 1 3 279.432 1.585 50 0 CDAAHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cnn(CCN(C)C)c1 ZINC000097037672 375139164 /nfs/dbraw/zinc/13/91/64/375139164.db2.gz QSJBCARSVWVSQO-NFAWXSAZSA-N 1 3 279.432 1.585 50 0 CDAAHO CCOC(=O)[C@H]1CC2(CCN(C)CC2)[N@@H+]2CCC[C@@H]12 ZINC000014987429 390214394 /nfs/dbraw/zinc/21/43/94/390214394.db2.gz IQJCIKOQCJLDKT-STQMWFEESA-N 1 3 266.385 1.498 50 0 CDAAHO CCOC(=O)[C@H]1CC2(CCN(C)CC2)[N@H+]2CCC[C@@H]12 ZINC000014987429 390214398 /nfs/dbraw/zinc/21/43/98/390214398.db2.gz IQJCIKOQCJLDKT-STQMWFEESA-N 1 3 266.385 1.498 50 0 CDAAHO [NH3+][C@@H]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3)C[C@H]12 ZINC000261856022 140399498 /nfs/dbraw/zinc/39/94/98/140399498.db2.gz XEGNLKHGZQVCOH-VHDGCEQUSA-N 1 3 273.380 1.684 50 0 CDAAHO CC(C)[C@H](N)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000195554977 342626112 /nfs/dbraw/zinc/62/61/12/342626112.db2.gz DYSAKWPDRFNWPH-AWEZNQCLSA-N 1 3 269.433 1.550 50 0 CDAAHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@H+](C)C1CC1 ZINC000095351212 374887720 /nfs/dbraw/zinc/88/77/20/374887720.db2.gz OSQJQCFMHFHPBR-GFCCVEGCSA-N 1 3 294.443 1.395 50 0 CDAAHO C[C@H](CNC(=O)NC1CCN(C2CC2)CC1)[N@@H+](C)C1CC1 ZINC000095351212 374887723 /nfs/dbraw/zinc/88/77/23/374887723.db2.gz OSQJQCFMHFHPBR-GFCCVEGCSA-N 1 3 294.443 1.395 50 0 CDAAHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000299738946 375200001 /nfs/dbraw/zinc/20/00/01/375200001.db2.gz ISYQZVAYSSWJKE-CHWSQXEVSA-N 1 3 253.390 1.058 50 0 CDAAHO C[C@]1(C[NH3+])CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662560371 413127429 /nfs/dbraw/zinc/12/74/29/413127429.db2.gz IQPFCGSQVKUIPK-CQSZACIVSA-N 1 3 279.409 1.205 50 0 CDAAHO [NH3+]CCNS(=O)(=O)c1ccc(Cl)c2ccncc21 ZINC000006415144 170199380 /nfs/dbraw/zinc/19/93/80/170199380.db2.gz OGKYMFFYOWUTKV-UHFFFAOYSA-N 1 3 285.756 1.125 50 0 in-vivo CDAAHO Cc1nccn1CC[C@@H](C)[NH+]1CCC2(CC1)CNCCO2 ZINC000426393110 697876269 /nfs/dbraw/zinc/87/62/69/697876269.db2.gz ZDSOBDNMXOCBKB-CQSZACIVSA-N 1 3 292.427 1.425 50 0 CDAAHO Cc1cc(N)cc(CNC[C@H](C[NH3+])Cc2cnn(C)c2)c1 ZINC000685940390 539045841 /nfs/dbraw/zinc/04/58/41/539045841.db2.gz IHYRHOPDKSPADK-AWEZNQCLSA-N 1 3 287.411 1.218 50 0 CDAAHO CO[C@H]1CN(C(C)C)C[C@@H]1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000584894811 349355137 /nfs/dbraw/zinc/35/51/37/349355137.db2.gz NGVJASAYYMYSSM-GJZGRUSLSA-N 1 3 297.487 1.993 50 0 CDAAHO Cc1ccc2[nH]c(CN[C@@H]3CC[C@@H]([NH3+])C3)cc(=O)c2c1 ZINC000095359333 358684689 /nfs/dbraw/zinc/68/46/89/358684689.db2.gz DTXCVRFYMMYEMO-VXGBXAGGSA-N 1 3 271.364 1.806 50 0 CDAAHO CCSC[C@H](C)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426383117 360661521 /nfs/dbraw/zinc/66/15/21/360661521.db2.gz JZIYASHCHALCTD-AWEZNQCLSA-N 1 3 285.501 1.888 50 0 CDAAHO CN(C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010111675 170397662 /nfs/dbraw/zinc/39/76/62/170397662.db2.gz BDRLLLCBZRJKRG-UHFFFAOYSA-N 1 3 289.423 1.964 50 0 CDAAHO OC[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484361 230381036 /nfs/dbraw/zinc/38/10/36/230381036.db2.gz CTUMWRFFXBTOBG-YESZJQIVSA-N 1 3 274.408 1.979 50 0 CDAAHO OC[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000096484361 230381037 /nfs/dbraw/zinc/38/10/37/230381037.db2.gz CTUMWRFFXBTOBG-YESZJQIVSA-N 1 3 274.408 1.979 50 0 CDAAHO Fc1cccc(CN2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102200190 358872684 /nfs/dbraw/zinc/87/26/84/358872684.db2.gz OZVYSRAAWQCOGD-FVQHAEBGSA-N 1 3 289.398 1.409 50 0 CDAAHO N[C@@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262569276 131234275 /nfs/dbraw/zinc/23/42/75/131234275.db2.gz GBDOBAJGPYINKA-MJBXVCDLSA-N 1 3 261.369 1.320 50 0 CDAAHO Cc1nccn1CCC1CCN(C[C@@]2(O)CC[NH2+]C2)CC1 ZINC000072410643 176398456 /nfs/dbraw/zinc/39/84/56/176398456.db2.gz IUFLSLKMBWXXJI-MRXNPFEDSA-N 1 3 292.427 1.018 50 0 CDAAHO CC[N@@H+]1CCC[C@@H](N2CCN(C(C)C)[C@H](C)C2)C1 ZINC000042976595 279292977 /nfs/dbraw/zinc/29/29/77/279292977.db2.gz BCSJDSWAOGLBCU-HUUCEWRRSA-N 1 3 253.434 1.885 50 0 CDAAHO CC[N@H+]1CCC[C@@H](N2CCN(C(C)C)[C@H](C)C2)C1 ZINC000042976595 279292978 /nfs/dbraw/zinc/29/29/78/279292978.db2.gz BCSJDSWAOGLBCU-HUUCEWRRSA-N 1 3 253.434 1.885 50 0 CDAAHO CN1CCN(C[C@H]2CCC[N@H+](Cc3ccoc3)C2)CC1 ZINC000952978295 616244357 /nfs/dbraw/zinc/24/43/57/616244357.db2.gz KVQXZAMDSFLPFI-OAHLLOKOSA-N 1 3 277.412 1.739 50 0 CDAAHO CN1CCN(C[C@H]2CCC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000952978295 616244358 /nfs/dbraw/zinc/24/43/58/616244358.db2.gz KVQXZAMDSFLPFI-OAHLLOKOSA-N 1 3 277.412 1.739 50 0 CDAAHO CC[C@H](N)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000037020608 712793427 /nfs/dbraw/zinc/79/34/27/712793427.db2.gz IBIBMHUYQLWFCG-AWEZNQCLSA-N 1 3 261.369 1.958 50 0 CDAAHO CC1(C)NC(=N)NC(=[NH2+])N1CCCCc1ccccc1 ZINC000001569545 363031948 /nfs/dbraw/zinc/03/19/48/363031948.db2.gz FFWJGCZSJMMGEI-UHFFFAOYSA-N 1 3 273.384 1.690 50 0 in-vitro CDAAHO CN1CC[NH+](C2CCN(Cc3ccccc3)CC2)CC1 ZINC000019637153 356494207 /nfs/dbraw/zinc/49/42/07/356494207.db2.gz DOHZFLAAIVWAKA-UHFFFAOYSA-N 1 3 273.424 1.898 50 0 CDAAHO O[C@@]1(CNCCN2CCCC2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063855381 357517503 /nfs/dbraw/zinc/51/75/03/357517503.db2.gz GWRBBTPHNHAQLV-HZPDHXFCSA-N 1 3 281.444 1.051 50 0 CDAAHO O[C@@]1(CNCCN2CCCC2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063855381 357517508 /nfs/dbraw/zinc/51/75/08/357517508.db2.gz GWRBBTPHNHAQLV-HZPDHXFCSA-N 1 3 281.444 1.051 50 0 CDAAHO NC[C@@]12CCC[C@@H](C[N@H+](Cc3ccccc3)C1)[C@@H]2O ZINC000100427216 295261065 /nfs/dbraw/zinc/26/10/65/295261065.db2.gz QLVGVVNOORRUNH-JYJNAYRXSA-N 1 3 260.381 1.608 50 0 CDAAHO NC[C@@]12CCC[C@@H](C[N@@H+](Cc3ccccc3)C1)[C@@H]2O ZINC000100427216 295261067 /nfs/dbraw/zinc/26/10/67/295261067.db2.gz QLVGVVNOORRUNH-JYJNAYRXSA-N 1 3 260.381 1.608 50 0 CDAAHO C[C@@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1CCCCCC1 ZINC000096436180 357472334 /nfs/dbraw/zinc/47/23/34/357472334.db2.gz WYSLSWFNDCYREB-KBPBESRZSA-N 1 3 267.417 1.319 50 0 CDAAHO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N1CCCCCC1 ZINC000096436180 357472336 /nfs/dbraw/zinc/47/23/36/357472336.db2.gz WYSLSWFNDCYREB-KBPBESRZSA-N 1 3 267.417 1.319 50 0 CDAAHO C[N@H+](CCC(F)(F)F)C[C@H]1CCCN(CCO)C1 ZINC000067804125 357629151 /nfs/dbraw/zinc/62/91/51/357629151.db2.gz YTERNYBKHGNKLP-LLVKDONJSA-N 1 3 268.323 1.575 50 0 CDAAHO C[N@@H+](CCC(F)(F)F)C[C@H]1CCCN(CCO)C1 ZINC000067804125 357629153 /nfs/dbraw/zinc/62/91/53/357629153.db2.gz YTERNYBKHGNKLP-LLVKDONJSA-N 1 3 268.323 1.575 50 0 CDAAHO COc1ccc2c(c1)C[C@@H]([N@@H+]1CCCNCC1)CC2 ZINC000133311587 361596621 /nfs/dbraw/zinc/59/66/21/361596621.db2.gz KFHDHLJUFSVFRZ-HNNXBMFYSA-N 1 3 260.381 1.848 50 0 CDAAHO COc1ccc2c(c1)C[C@@H]([N@H+]1CCCNCC1)CC2 ZINC000133311587 361596624 /nfs/dbraw/zinc/59/66/24/361596624.db2.gz KFHDHLJUFSVFRZ-HNNXBMFYSA-N 1 3 260.381 1.848 50 0 CDAAHO Cc1cc(Br)ccc1NC(=N)NC(N)=[NH2+] ZINC000000073409 364099822 /nfs/dbraw/zinc/09/98/22/364099822.db2.gz OWNFQZKEWYFEJG-UHFFFAOYSA-N 1 3 270.134 1.587 50 0 CDAAHO Cc1cc(Br)ccc1NC(=[NH2+])NC(=N)N ZINC000000073409 364099828 /nfs/dbraw/zinc/09/98/28/364099828.db2.gz OWNFQZKEWYFEJG-UHFFFAOYSA-N 1 3 270.134 1.587 50 0 CDAAHO CSCC[C@H](N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000252495536 367642344 /nfs/dbraw/zinc/64/23/44/367642344.db2.gz OSVOKESMUGCZDC-OCCSQVGLSA-N 1 3 299.484 1.542 50 0 CDAAHO CSCC[C@H](N)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000252495536 367642350 /nfs/dbraw/zinc/64/23/50/367642350.db2.gz OSVOKESMUGCZDC-OCCSQVGLSA-N 1 3 299.484 1.542 50 0 CDAAHO [NH3+]C[C@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000178576294 295274330 /nfs/dbraw/zinc/27/43/30/295274330.db2.gz SWEYIZQHKBFPHY-OAHLLOKOSA-N 1 3 287.407 1.703 50 0 CDAAHO NC[C@@H]1CCC[NH2+][C@@H]1[C@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757216153 574908130 /nfs/dbraw/zinc/90/81/30/574908130.db2.gz YCCRSESSTVICKV-MMWGEVLESA-N 1 3 265.323 1.244 50 0 CDAAHO CCOC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000239352753 361745437 /nfs/dbraw/zinc/74/54/37/361745437.db2.gz ADKWJLPWNCWVKV-DZGCQCFKSA-N 1 3 280.412 1.888 50 0 CDAAHO CCOC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000239352753 361745441 /nfs/dbraw/zinc/74/54/41/361745441.db2.gz ADKWJLPWNCWVKV-DZGCQCFKSA-N 1 3 280.412 1.888 50 0 CDAAHO N=C1NC(=[NH2+])NC2(CCCCC2)N1c1ccccc1 ZINC000000273390 356813905 /nfs/dbraw/zinc/81/39/05/356813905.db2.gz PAOQYQJSNZBMSM-UHFFFAOYSA-N 1 3 257.341 1.796 50 0 CDAAHO N=C1NC(=[NH2+])N(c2ccccc2)C2(CCCCC2)N1 ZINC000000273390 356813906 /nfs/dbraw/zinc/81/39/06/356813906.db2.gz PAOQYQJSNZBMSM-UHFFFAOYSA-N 1 3 257.341 1.796 50 0 CDAAHO O[C@H]1CC[C@H](CN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000244816818 377795646 /nfs/dbraw/zinc/79/56/46/377795646.db2.gz SOYNKTZQUOMXEU-KOMQPUFPSA-N 1 3 275.396 1.755 50 0 CDAAHO [NH3+][C@@H]1CC[C@H](C(=O)N2CCC(N3CCSCC3)CC2)C1 ZINC000534654329 328338841 /nfs/dbraw/zinc/33/88/41/328338841.db2.gz CSCDKSLQKSKUIH-QWHCGFSZSA-N 1 3 297.468 1.154 50 0 CDAAHO O=C(NC1CCN(Cc2cccs2)CC1)[C@H]1C=CC[NH2+]1 ZINC000827690923 925956253 /nfs/dbraw/zinc/95/62/53/925956253.db2.gz MZVZTDOQSONIAQ-CQSZACIVSA-N 1 3 291.420 1.357 50 0 CDAAHO C[C@H]1CC[C@@H](CO)CN1CCC[NH+]1CCCCC1 ZINC000097103395 342192090 /nfs/dbraw/zinc/19/20/90/342192090.db2.gz ZOCTYLFWRJDOBT-LSDHHAIUSA-N 1 3 254.418 1.955 50 0 CDAAHO CCOC(=O)N[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000097021395 185153977 /nfs/dbraw/zinc/15/39/77/185153977.db2.gz FCULVMSQGYSJCJ-RRFJBIMHSA-N 1 3 295.427 1.728 50 0 CDAAHO CCOC(=O)N[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000097021395 185153979 /nfs/dbraw/zinc/15/39/79/185153979.db2.gz FCULVMSQGYSJCJ-RRFJBIMHSA-N 1 3 295.427 1.728 50 0 CDAAHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000091391818 180144787 /nfs/dbraw/zinc/14/47/87/180144787.db2.gz HYDDFZUEMOQMGY-LSDHHAIUSA-N 1 3 275.396 1.109 50 0 CDAAHO COc1ccc2c(c1)C[C@H]([N@@H+]1CCCNCC1)CC2 ZINC000133311360 361596160 /nfs/dbraw/zinc/59/61/60/361596160.db2.gz KFHDHLJUFSVFRZ-OAHLLOKOSA-N 1 3 260.381 1.848 50 0 CDAAHO COc1ccc2c(c1)C[C@H]([N@H+]1CCCNCC1)CC2 ZINC000133311360 361596170 /nfs/dbraw/zinc/59/61/70/361596170.db2.gz KFHDHLJUFSVFRZ-OAHLLOKOSA-N 1 3 260.381 1.848 50 0 CDAAHO [NH3+]CCc1ccc(CN2CCN3CCCC[C@H]3C2)cc1 ZINC000244734286 391044319 /nfs/dbraw/zinc/04/43/19/391044319.db2.gz NCSRZYPYRWMPGG-KRWDZBQOSA-N 1 3 273.424 1.858 50 0 CDAAHO CNCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000299739502 277020312 /nfs/dbraw/zinc/02/03/12/277020312.db2.gz PKDZGVWNVDQEIN-ZIAGYGMSSA-N 1 3 267.417 1.319 50 0 CDAAHO CNCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000299739502 277020314 /nfs/dbraw/zinc/02/03/14/277020314.db2.gz PKDZGVWNVDQEIN-ZIAGYGMSSA-N 1 3 267.417 1.319 50 0 CDAAHO C[C@H](C(N)=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821647 289392730 /nfs/dbraw/zinc/39/27/30/289392730.db2.gz INZHNGFEGXCBED-CYBMUJFWSA-N 1 3 290.411 1.494 50 0 CDAAHO CCc1ccc(CNCCNc2cc[nH+]cc2C)nc1 ZINC000952968153 615673846 /nfs/dbraw/zinc/67/38/46/615673846.db2.gz JZTALXGFIMXLIB-UHFFFAOYSA-N 1 3 270.380 1.971 50 0 CDAAHO CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000036135345 356862115 /nfs/dbraw/zinc/86/21/15/356862115.db2.gz HHSHRDJOGQTWNB-KBMXLJTQSA-N 1 3 293.455 1.850 50 0 CDAAHO CCC(CC)(C[NH3+])C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000261635745 359546965 /nfs/dbraw/zinc/54/69/65/359546965.db2.gz DEFYUULXLSEVAW-CHWSQXEVSA-N 1 3 269.433 1.693 50 0 CDAAHO CC[N@H+](CCNC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000089969208 366990331 /nfs/dbraw/zinc/99/03/31/366990331.db2.gz YFDFVVCZSMNIDD-UHFFFAOYSA-N 1 3 294.443 1.397 50 0 CDAAHO CC[N@@H+](CCNC(=O)NC1CCN(C2CC2)CC1)C1CC1 ZINC000089969208 366990334 /nfs/dbraw/zinc/99/03/34/366990334.db2.gz YFDFVVCZSMNIDD-UHFFFAOYSA-N 1 3 294.443 1.397 50 0 CDAAHO O[C@@]1(CNC[C@H]2CCCO2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063883962 371047205 /nfs/dbraw/zinc/04/72/05/371047205.db2.gz QLHFEGQNRSVSHQ-RBSFLKMASA-N 1 3 268.401 1.134 50 0 CDAAHO O[C@@]1(CNC[C@H]2CCCO2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063883962 371047210 /nfs/dbraw/zinc/04/72/10/371047210.db2.gz QLHFEGQNRSVSHQ-RBSFLKMASA-N 1 3 268.401 1.134 50 0 CDAAHO NC[C@@H]1C[NH2+]C[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757218611 574909558 /nfs/dbraw/zinc/90/95/58/574909558.db2.gz VHILDOGCIBXCCO-LMLFDSFASA-N 1 3 265.323 1.101 50 0 CDAAHO c1cc2c(cccc2CN2CCN([C@@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000426596669 684937415 /nfs/dbraw/zinc/93/74/15/684937415.db2.gz WKGWSZZNEGINQD-OAHLLOKOSA-N 1 3 284.407 1.647 50 0 CDAAHO CC[C@H](N)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246750776 392018219 /nfs/dbraw/zinc/01/82/19/392018219.db2.gz ZVKPLFGNDYTKEV-KFWWJZLASA-N 1 3 281.444 1.837 50 0 CDAAHO CC[C@H](N)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246750776 392018225 /nfs/dbraw/zinc/01/82/25/392018225.db2.gz ZVKPLFGNDYTKEV-KFWWJZLASA-N 1 3 281.444 1.837 50 0 CDAAHO Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037408370 173185321 /nfs/dbraw/zinc/18/53/21/173185321.db2.gz GIZRRICXDPWZOI-ZDUSSCGKSA-N 1 3 262.401 1.611 50 0 CDAAHO CNC(=O)C[C@@H]1CCN(C2CC[NH+](C3CCCC3)CC2)C1 ZINC000670455287 483031416 /nfs/dbraw/zinc/03/14/16/483031416.db2.gz OFACTCPBFUZCEE-AWEZNQCLSA-N 1 3 293.455 1.851 50 0 CDAAHO C[C@H]1CC[C@H](CO)CN1CCC[NH+]1CCCCC1 ZINC000097103393 342192065 /nfs/dbraw/zinc/19/20/65/342192065.db2.gz ZOCTYLFWRJDOBT-GJZGRUSLSA-N 1 3 254.418 1.955 50 0 CDAAHO Cc1ccccc1CN1CCN(C[C@H]2[C@@H]3C[NH2+]C[C@H]23)CC1 ZINC000101842057 358862237 /nfs/dbraw/zinc/86/22/37/358862237.db2.gz RZOBLOXEVMSTLW-PIIMJCKOSA-N 1 3 285.435 1.578 50 0 CDAAHO OCC1(C[NH+]2CCCC2)CCN(c2ccncc2)CC1 ZINC000223441450 359427123 /nfs/dbraw/zinc/42/71/23/359427123.db2.gz YWBXEHARHXWKKQ-UHFFFAOYSA-N 1 3 275.396 1.756 50 0 CDAAHO C[NH+](C)CCCNC(=O)c1csc2c1CCNC2 ZINC000299803967 372772685 /nfs/dbraw/zinc/77/26/85/372772685.db2.gz NMNQGOSGSYYKRS-UHFFFAOYSA-N 1 3 267.398 1.075 50 0 CDAAHO CC(C)[C@H](CN1CCOCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095974253 280238536 /nfs/dbraw/zinc/23/85/36/280238536.db2.gz IWMRMUHLKWTPGN-BBWFWOEESA-N 1 3 295.471 1.560 50 0 CDAAHO CC(C)[C@H](CN1CCOCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095974253 280238538 /nfs/dbraw/zinc/23/85/38/280238538.db2.gz IWMRMUHLKWTPGN-BBWFWOEESA-N 1 3 295.471 1.560 50 0 CDAAHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000091392049 289294458 /nfs/dbraw/zinc/29/44/58/289294458.db2.gz KREYCRCOJQIIBC-HUUCEWRRSA-N 1 3 275.396 1.282 50 0 CDAAHO CN(C)CCOc1ccccc1CN1CC[C@H]([NH+](C)C)C1 ZINC000216217452 358931698 /nfs/dbraw/zinc/93/16/98/358931698.db2.gz GKYWAVOLOSJJEC-INIZCTEOSA-N 1 3 291.439 1.763 50 0 CDAAHO Nc1nc(NCCN2CCCCC2)cc(C2CC([NH3+])C2)n1 ZINC000219207937 359082854 /nfs/dbraw/zinc/08/28/54/359082854.db2.gz ZJHCQCSKJPVHBS-UHFFFAOYSA-N 1 3 290.415 1.161 50 0 CDAAHO CCN1CCCN(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000252497896 367646967 /nfs/dbraw/zinc/64/69/67/367646967.db2.gz HHBGMXMXWGAFMK-OAHLLOKOSA-N 1 3 296.459 1.598 50 0 CDAAHO CCN1CCCN(C(=O)NCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000252497896 367646969 /nfs/dbraw/zinc/64/69/69/367646969.db2.gz HHBGMXMXWGAFMK-OAHLLOKOSA-N 1 3 296.459 1.598 50 0 CDAAHO CCCN1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000299739028 375199682 /nfs/dbraw/zinc/19/96/82/375199682.db2.gz JPWSMXSUBOAJBG-OLZOCXBDSA-N 1 3 253.390 1.201 50 0 CDAAHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000195554598 393294921 /nfs/dbraw/zinc/29/49/21/393294921.db2.gz UUIVQKHBAVRWQA-SDADXPQNSA-N 1 3 293.455 1.835 50 0 CDAAHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000195554598 393294926 /nfs/dbraw/zinc/29/49/26/393294926.db2.gz UUIVQKHBAVRWQA-SDADXPQNSA-N 1 3 293.455 1.835 50 0 CDAAHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccccc3)C[C@@H]12 ZINC000261856021 140398853 /nfs/dbraw/zinc/39/88/53/140398853.db2.gz XEGNLKHGZQVCOH-NWANDNLSSA-N 1 3 273.380 1.684 50 0 CDAAHO COCCN1CCC[C@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001506426385 975160711 /nfs/dbraw/zinc/16/07/11/975160711.db2.gz GNWJAIRXXJTYJV-CQSZACIVSA-N 1 3 278.400 1.233 50 0 CDAAHO CN(C)Cc1cccc(C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000178540720 362245025 /nfs/dbraw/zinc/24/50/25/362245025.db2.gz VIMIYRCFXNXEFN-ZDUSSCGKSA-N 1 3 261.369 1.169 50 0 CDAAHO CN(C)CCc1noc(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000134766308 363607611 /nfs/dbraw/zinc/60/76/11/363607611.db2.gz RWSTWKIDDFVBEH-GFCCVEGCSA-N 1 3 260.341 1.416 50 0 CDAAHO CN1CCCN([C@@H]2CCSC2)CC12CC[NH2+]CC2 ZINC000426701767 360698097 /nfs/dbraw/zinc/69/80/97/360698097.db2.gz XWTTXPXOHIXGRA-CYBMUJFWSA-N 1 3 269.458 1.252 50 0 CDAAHO [NH3+]C[C@@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000299799997 372771225 /nfs/dbraw/zinc/77/12/25/372771225.db2.gz YMNXKPZHXHPYLF-AWEZNQCLSA-N 1 3 261.369 1.554 50 0 CDAAHO CC(C)[NH+]1CCC(CN2CCN3CCN(C)C[C@@H]3C2)CC1 ZINC000065387803 390552250 /nfs/dbraw/zinc/55/22/50/390552250.db2.gz ZUWMMWASXDKCJA-QGZVFWFLSA-N 1 3 294.487 1.038 50 0 CDAAHO Cc1nc(N)cc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000091768818 135073678 /nfs/dbraw/zinc/07/36/78/135073678.db2.gz ALUSIDXCXLQOEZ-CYBMUJFWSA-N 1 3 269.352 1.518 50 0 CDAAHO CC(C)C[C@@H](N)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000071721417 176252791 /nfs/dbraw/zinc/25/27/91/176252791.db2.gz DQWUJOKZUVDXDT-QWHCGFSZSA-N 1 3 253.390 1.057 50 0 CDAAHO CC(C)C[C@@H](N)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000071721417 176252793 /nfs/dbraw/zinc/25/27/93/176252793.db2.gz DQWUJOKZUVDXDT-QWHCGFSZSA-N 1 3 253.390 1.057 50 0 CDAAHO Cc1cccc(CN2CCCN(CCC[NH3+])CC2)c1 ZINC000037038104 356897132 /nfs/dbraw/zinc/89/71/32/356897132.db2.gz ZROSKQRSATUSPG-UHFFFAOYSA-N 1 3 261.413 1.852 50 0 CDAAHO FC(F)(F)CN1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000252517729 367741697 /nfs/dbraw/zinc/74/16/97/367741697.db2.gz PYYKMKAJZAWCMR-AVGNSLFASA-N 1 3 291.361 1.839 50 0 CDAAHO FC(F)(F)CN1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000252517729 367741700 /nfs/dbraw/zinc/74/17/00/367741700.db2.gz PYYKMKAJZAWCMR-AVGNSLFASA-N 1 3 291.361 1.839 50 0 CDAAHO CCN(CC[NH+]1CCCCCC1)C(=O)C[C@H]1CNCCO1 ZINC000055107417 390487315 /nfs/dbraw/zinc/48/73/15/390487315.db2.gz OPRHOWLTJSIPKS-HNNXBMFYSA-N 1 3 297.443 1.089 50 0 CDAAHO O=C(CN1CCCCCCC1)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000534631128 328331356 /nfs/dbraw/zinc/33/13/56/328331356.db2.gz DYXXOSIGZAUFCZ-CABCVRRESA-N 1 3 279.428 1.463 50 0 CDAAHO Cc1c[nH]c(CN2CCC3(C2)CC[NH2+]CC3)c(C)c1=O ZINC000534661143 328349056 /nfs/dbraw/zinc/34/90/56/328349056.db2.gz SATDPOMUBXNKBF-UHFFFAOYSA-N 1 3 275.396 1.567 50 0 CDAAHO Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)cc(C)[nH+]1 ZINC000215518384 358893414 /nfs/dbraw/zinc/89/34/14/358893414.db2.gz ZBXKHXVQOIUOEB-OAHLLOKOSA-N 1 3 275.396 1.857 50 0 CDAAHO O=C([C@H]1CCCN1CC1CC[NH2+]CC1)N1CCSCC1 ZINC000252509749 367660823 /nfs/dbraw/zinc/66/08/23/367660823.db2.gz YUUIEZRCQDSMRA-CQSZACIVSA-N 1 3 297.468 1.026 50 0 CDAAHO N[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262569266 131234283 /nfs/dbraw/zinc/23/42/83/131234283.db2.gz GBDOBAJGPYINKA-BFHYXJOUSA-N 1 3 261.369 1.320 50 0 CDAAHO CNCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262648040 131246365 /nfs/dbraw/zinc/24/63/65/131246365.db2.gz PMGFVAIOALYKQM-UKRRQHHQSA-N 1 3 275.396 1.375 50 0 CDAAHO CNCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262648040 131246367 /nfs/dbraw/zinc/24/63/67/131246367.db2.gz PMGFVAIOALYKQM-UKRRQHHQSA-N 1 3 275.396 1.375 50 0 CDAAHO C[NH2+]CC(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000262648040 131246369 /nfs/dbraw/zinc/24/63/69/131246369.db2.gz PMGFVAIOALYKQM-UKRRQHHQSA-N 1 3 275.396 1.375 50 0 CDAAHO Cc1nc(N)cc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000091768816 135074053 /nfs/dbraw/zinc/07/40/53/135074053.db2.gz ALUSIDXCXLQOEZ-ZDUSSCGKSA-N 1 3 269.352 1.518 50 0 CDAAHO [NH3+][C@H]1[C@@H]2CC[C@H]1CN([C@@H]1CCN(c3ccccc3)C1)C2 ZINC001506400449 975148834 /nfs/dbraw/zinc/14/88/34/975148834.db2.gz VGXKAHZYEKFHFU-WTTBNOFXSA-N 1 3 271.408 1.934 50 0 CDAAHO O[C@H]1C[NH2+]CCN(Cc2cc(CN3CCCC3)cs2)C1 ZINC000097568756 185629004 /nfs/dbraw/zinc/62/90/04/185629004.db2.gz LECIHCOAKSZWCV-AWEZNQCLSA-N 1 3 295.452 1.110 50 0 CDAAHO CN(C)Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000091545353 180186411 /nfs/dbraw/zinc/18/64/11/180186411.db2.gz CGOYEHCGEWDXTK-STQMWFEESA-N 1 3 261.369 1.814 50 0 CDAAHO C[C@@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)[C@H]1C[NH3+] ZINC000299739582 200852053 /nfs/dbraw/zinc/85/20/53/200852053.db2.gz QIBIWGANOSNCFI-SNPRPXQTSA-N 1 3 275.396 1.662 50 0 CDAAHO [NH3+]C[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1 ZINC000299799999 372771563 /nfs/dbraw/zinc/77/15/63/372771563.db2.gz YMNXKPZHXHPYLF-CQSZACIVSA-N 1 3 261.369 1.554 50 0 CDAAHO OCCCCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000110618706 374122617 /nfs/dbraw/zinc/12/26/17/374122617.db2.gz JUEBTNNNOCUEPL-RBSFLKMASA-N 1 3 252.402 1.565 50 0 CDAAHO OCCCCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000110618706 374122622 /nfs/dbraw/zinc/12/26/22/374122622.db2.gz JUEBTNNNOCUEPL-RBSFLKMASA-N 1 3 252.402 1.565 50 0 CDAAHO C[C@@H](Cn1ccnc1)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486102 738950137 /nfs/dbraw/zinc/95/01/37/738950137.db2.gz JHDYFXPWLZWMEL-HNNXBMFYSA-N 1 3 291.443 1.031 50 0 CDAAHO [NH3+]CCNCCCOc1cccc(Br)c1 ZINC000020118395 356526262 /nfs/dbraw/zinc/52/62/62/356526262.db2.gz LEKXQZORWSSDJT-UHFFFAOYSA-N 1 3 273.174 1.766 50 0 CDAAHO CN(Cc1ccccc1)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000065460515 357543124 /nfs/dbraw/zinc/54/31/24/357543124.db2.gz XOQZAUJMTLVLIL-INIZCTEOSA-N 1 3 262.397 1.823 50 0 CDAAHO CN(Cc1ccccc1)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000065460515 357543128 /nfs/dbraw/zinc/54/31/28/357543128.db2.gz XOQZAUJMTLVLIL-INIZCTEOSA-N 1 3 262.397 1.823 50 0 CDAAHO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000299745198 357702301 /nfs/dbraw/zinc/70/23/01/357702301.db2.gz WMBXMTMCVVIIKV-LSDHHAIUSA-N 1 3 293.455 1.851 50 0 CDAAHO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000299745198 357702310 /nfs/dbraw/zinc/70/23/10/357702310.db2.gz WMBXMTMCVVIIKV-LSDHHAIUSA-N 1 3 293.455 1.851 50 0 CDAAHO CCCN1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000408523356 283322491 /nfs/dbraw/zinc/32/24/91/283322491.db2.gz RGTXIGOLOJSJPJ-KGLIPLIRSA-N 1 3 267.417 1.319 50 0 CDAAHO C[NH+](C)CC[C@@H](NC(=O)CNC1CC1)c1ccccc1 ZINC000216012393 358917826 /nfs/dbraw/zinc/91/78/26/358917826.db2.gz UYPQANAVHFIKLB-OAHLLOKOSA-N 1 3 275.396 1.548 50 0 CDAAHO CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCN(C)[C@H](C)C1 ZINC000299739309 279133993 /nfs/dbraw/zinc/13/39/93/279133993.db2.gz NFYBWFJPNXYVLH-MCIONIFRSA-N 1 3 269.433 1.549 50 0 CDAAHO CN1CCCN(C[C@@H]2CCCOC2)CC12CC[NH2+]CC2 ZINC000534666305 328345237 /nfs/dbraw/zinc/34/52/37/328345237.db2.gz LXFWJZBRVOPZAI-HNNXBMFYSA-N 1 3 281.444 1.173 50 0 CDAAHO COc1ccc(SCC[NH2+]C[C@]2(O)CCCNC2)cc1 ZINC000072454649 357837416 /nfs/dbraw/zinc/83/74/16/357837416.db2.gz RNEDAVXEPHKQQA-HNNXBMFYSA-N 1 3 296.436 1.491 50 0 CDAAHO O=C([C@@H]1CCCN(C2CC[NH2+]CC2)C1)N1CCCC1 ZINC000082126677 296014767 /nfs/dbraw/zinc/01/47/67/296014767.db2.gz WAZAWKDZOGTZBO-CYBMUJFWSA-N 1 3 265.401 1.073 50 0 CDAAHO O=C([C@@H]1CCC[N@@H+](C2CCNCC2)C1)N1CCCC1 ZINC000082126677 296014768 /nfs/dbraw/zinc/01/47/68/296014768.db2.gz WAZAWKDZOGTZBO-CYBMUJFWSA-N 1 3 265.401 1.073 50 0 CDAAHO O=C([C@@H]1CCC[N@H+](C2CCNCC2)C1)N1CCCC1 ZINC000082126677 296014769 /nfs/dbraw/zinc/01/47/69/296014769.db2.gz WAZAWKDZOGTZBO-CYBMUJFWSA-N 1 3 265.401 1.073 50 0 CDAAHO FC(F)(F)CN1CC[C@H](N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000252517730 367741784 /nfs/dbraw/zinc/74/17/84/367741784.db2.gz PYYKMKAJZAWCMR-RWMBFGLXSA-N 1 3 291.361 1.839 50 0 CDAAHO FC(F)(F)CN1CC[C@H](N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000252517730 367741787 /nfs/dbraw/zinc/74/17/87/367741787.db2.gz PYYKMKAJZAWCMR-RWMBFGLXSA-N 1 3 291.361 1.839 50 0 CDAAHO CC[NH+](CC)CCC[C@@]1(C)NCCc2nc[nH]c21 ZINC000065492158 279101197 /nfs/dbraw/zinc/10/11/97/279101197.db2.gz QPOXZVUVIWXHRA-CQSZACIVSA-N 1 3 250.390 1.893 50 0 CDAAHO CCOC(=O)N1CCC([N@@H+]2CCCC[C@H](N)C2)CC1 ZINC000082136932 482763503 /nfs/dbraw/zinc/76/35/03/482763503.db2.gz QEHOKQVYVNWBJP-LBPRGKRZSA-N 1 3 269.389 1.421 50 0 CDAAHO CCOC(=O)N1CCC([N@H+]2CCCC[C@H](N)C2)CC1 ZINC000082136932 482763507 /nfs/dbraw/zinc/76/35/07/482763507.db2.gz QEHOKQVYVNWBJP-LBPRGKRZSA-N 1 3 269.389 1.421 50 0 CDAAHO O=C(CN1CCCCCC1)NCC[C@@H]1CCCC[NH2+]1 ZINC001506415724 975156275 /nfs/dbraw/zinc/15/62/75/975156275.db2.gz BYMGJVULSFJCSA-AWEZNQCLSA-N 1 3 267.417 1.511 50 0 CDAAHO COCCN1CCC[C@@H](C[NH2+]Cc2cnc(C)nc2)C1 ZINC001506426372 975160460 /nfs/dbraw/zinc/16/04/60/975160460.db2.gz GNWJAIRXXJTYJV-AWEZNQCLSA-N 1 3 278.400 1.233 50 0 CDAAHO C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)C1)N1CCCCCC1 ZINC000096436181 357472394 /nfs/dbraw/zinc/47/23/94/357472394.db2.gz WYSLSWFNDCYREB-KGLIPLIRSA-N 1 3 267.417 1.319 50 0 CDAAHO C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)N1CCCCCC1 ZINC000096436181 357472395 /nfs/dbraw/zinc/47/23/95/357472395.db2.gz WYSLSWFNDCYREB-KGLIPLIRSA-N 1 3 267.417 1.319 50 0 CDAAHO CN1CCC[N@H+](C)CC12CCN(Cc1ccoc1)CC2 ZINC000215214350 358878679 /nfs/dbraw/zinc/87/86/79/358878679.db2.gz GDDVDBMRDDNUSM-UHFFFAOYSA-N 1 3 277.412 1.882 50 0 CDAAHO CN1CCC[N@@H+](C)CC12CCN(Cc1ccoc1)CC2 ZINC000215214350 358878680 /nfs/dbraw/zinc/87/86/80/358878680.db2.gz GDDVDBMRDDNUSM-UHFFFAOYSA-N 1 3 277.412 1.882 50 0 CDAAHO CC[C@H](O)[C@H]1CCCCN1C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000096424715 390516279 /nfs/dbraw/zinc/51/62/79/390516279.db2.gz VOJUROBBYILNPW-ZACQAIPSSA-N 1 3 298.471 1.705 50 0 CDAAHO CCn1nnc(C)c1CN1CC[C@H](CC[NH+](C)C)C1 ZINC000952880298 910441649 /nfs/dbraw/zinc/44/16/49/910441649.db2.gz CIFPFWKNCSBTSY-ZDUSSCGKSA-N 1 3 265.405 1.380 50 0 CDAAHO C[C@@H](C[NH+]1CCCCCC1)N1CCCN(C)CC1 ZINC001506405612 975152056 /nfs/dbraw/zinc/15/20/56/975152056.db2.gz VSYVRPQTYKBJEK-HNNXBMFYSA-N 1 3 253.434 1.888 50 0 CDAAHO CN1CCC(O)(C[NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000584900414 349362475 /nfs/dbraw/zinc/36/24/75/349362475.db2.gz YHTZMZOMHBMLPC-HNNXBMFYSA-N 1 3 289.423 1.312 50 0 CDAAHO [NH3+]CCc1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000094440582 359786899 /nfs/dbraw/zinc/78/68/99/359786899.db2.gz NCSRZYPYRWMPGG-QGZVFWFLSA-N 1 3 273.424 1.858 50 0 CDAAHO Cc1c[nH+]ccc1NCCNC(=O)[C@H](C)N1CCCCC1 ZINC000426511559 360678880 /nfs/dbraw/zinc/67/88/80/360678880.db2.gz DSVJDOGBGVKJTC-AWEZNQCLSA-N 1 3 290.411 1.214 50 0 CDAAHO C(C1CCN([C@H]2CCCOC2)CC1)[NH+]1CCCC1 ZINC000674301066 482994506 /nfs/dbraw/zinc/99/45/06/482994506.db2.gz MAYFJTPYARESIM-HNNXBMFYSA-N 1 3 252.402 1.973 50 0 CDAAHO C[NH+](C)C[C@@H]1CCN(Cc2ccc3ncccc3c2)C[C@H]1O ZINC000670460102 483042581 /nfs/dbraw/zinc/04/25/81/483042581.db2.gz HWWMTSALUBALAW-FUHWJXTLSA-N 1 3 299.418 1.979 50 0 CDAAHO c1cc2c(cccc2CN2CCN([C@H]3CC[NH2+]C3)CC2)[nH]1 ZINC000426596668 756837373 /nfs/dbraw/zinc/83/73/73/756837373.db2.gz WKGWSZZNEGINQD-HNNXBMFYSA-N 1 3 284.407 1.647 50 0 CDAAHO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@](C)(O)c1ccsc1 ZINC000863984335 758159487 /nfs/dbraw/zinc/15/94/87/758159487.db2.gz TUPFNXOWQJVBLQ-BNGAQMRFSA-N 1 3 280.437 1.885 50 0 CDAAHO C[N@@H+]1C[C@H]2CC[C@@H](C1)C2NC[C@@](C)(O)c1ccsc1 ZINC000863984335 758159496 /nfs/dbraw/zinc/15/94/96/758159496.db2.gz TUPFNXOWQJVBLQ-BNGAQMRFSA-N 1 3 280.437 1.885 50 0 CDAAHO CN(C)C[C@H]1CC[N@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000108080071 186203272 /nfs/dbraw/zinc/20/32/72/186203272.db2.gz FDKWJESCJJZBQU-ZIAGYGMSSA-N 1 3 298.452 1.509 50 0 CDAAHO CN(C)C[C@H]1CC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000108080071 186203274 /nfs/dbraw/zinc/20/32/74/186203274.db2.gz FDKWJESCJJZBQU-ZIAGYGMSSA-N 1 3 298.452 1.509 50 0 CDAAHO [NH3+][C@@H]1[C@@H]2CC[C@H]1CN(C[C@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299756875 372744908 /nfs/dbraw/zinc/74/49/08/372744908.db2.gz IGBIADUEVDGXDI-ZXFNITATSA-N 1 3 299.418 1.709 50 0 CDAAHO CN(CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000089374834 377848087 /nfs/dbraw/zinc/84/80/87/377848087.db2.gz SMSYDJPQRKOYLF-LQDVMPOASA-N 1 3 294.443 1.395 50 0 CDAAHO CN(CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000089374834 377848093 /nfs/dbraw/zinc/84/80/93/377848093.db2.gz SMSYDJPQRKOYLF-LQDVMPOASA-N 1 3 294.443 1.395 50 0 CDAAHO CN(C)CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000022045021 171350626 /nfs/dbraw/zinc/35/06/26/171350626.db2.gz ZXGBKHNDHRNYRE-UHFFFAOYSA-N 1 3 275.440 1.845 50 0 CDAAHO CN(C)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000022045021 171350627 /nfs/dbraw/zinc/35/06/27/171350627.db2.gz ZXGBKHNDHRNYRE-UHFFFAOYSA-N 1 3 275.440 1.845 50 0 CDAAHO Cn1ccnc1CCN1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001506424943 975159494 /nfs/dbraw/zinc/15/94/94/975159494.db2.gz NEJCCXODTFQTLE-MRXNPFEDSA-N 1 3 276.428 1.770 50 0 CDAAHO Cn1ccnc1CCN1CCC[C@@]2(CCC[N@@H+](C)C2)C1 ZINC001506424943 975159498 /nfs/dbraw/zinc/15/94/98/975159498.db2.gz NEJCCXODTFQTLE-MRXNPFEDSA-N 1 3 276.428 1.770 50 0 CDAAHO Cn1ccnc1CC[N@@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001506424943 975159503 /nfs/dbraw/zinc/15/95/03/975159503.db2.gz NEJCCXODTFQTLE-MRXNPFEDSA-N 1 3 276.428 1.770 50 0 CDAAHO Cn1ccnc1CC[N@H+]1CCC[C@@]2(CCCN(C)C2)C1 ZINC001506424943 975159507 /nfs/dbraw/zinc/15/95/07/975159507.db2.gz NEJCCXODTFQTLE-MRXNPFEDSA-N 1 3 276.428 1.770 50 0 CDAAHO C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000091394230 180145715 /nfs/dbraw/zinc/14/57/15/180145715.db2.gz JFVQQBOBSJMSDM-LSDHHAIUSA-N 1 3 275.396 1.629 50 0 CDAAHO CN1CCCN(CCC[NH2+]C(C2CC2)C2CC2)CC1 ZINC000095421922 374923831 /nfs/dbraw/zinc/92/38/31/374923831.db2.gz JZJLYYUGEROQEQ-UHFFFAOYSA-N 1 3 265.445 1.792 50 0 CDAAHO CC(C)NC(=O)C[C@H](C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000088735536 391485046 /nfs/dbraw/zinc/48/50/46/391485046.db2.gz RVLZQKRZMPYGSR-RDBSUJKOSA-N 1 3 269.433 1.608 50 0 CDAAHO CC(C)NC(=O)C[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000088735536 391485050 /nfs/dbraw/zinc/48/50/50/391485050.db2.gz RVLZQKRZMPYGSR-RDBSUJKOSA-N 1 3 269.433 1.608 50 0 CDAAHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2(N)CCCC2)C1 ZINC000067726494 277395336 /nfs/dbraw/zinc/39/53/36/277395336.db2.gz NNUYZIFHLHGZKP-CQSZACIVSA-N 1 3 281.444 1.742 50 0 CDAAHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2(N)CCCC2)C1 ZINC000067726494 277395337 /nfs/dbraw/zinc/39/53/37/277395337.db2.gz NNUYZIFHLHGZKP-CQSZACIVSA-N 1 3 281.444 1.742 50 0 CDAAHO OC1(C[NH+]2CCCC2)CCN(C[C@@H]2CCCCO2)CC1 ZINC000828605310 926148184 /nfs/dbraw/zinc/14/81/84/926148184.db2.gz BXEIHILZFOPKEX-HNNXBMFYSA-N 1 3 282.428 1.478 50 0 CDAAHO CC(C)NC(=O)C[C@H](C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000088735539 366430803 /nfs/dbraw/zinc/43/08/03/366430803.db2.gz RVLZQKRZMPYGSR-IHRRRGAJSA-N 1 3 269.433 1.608 50 0 CDAAHO CC(C)NC(=O)C[C@H](C)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000088735539 366430804 /nfs/dbraw/zinc/43/08/04/366430804.db2.gz RVLZQKRZMPYGSR-IHRRRGAJSA-N 1 3 269.433 1.608 50 0 CDAAHO c1ccc(CCCN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000097568832 360994274 /nfs/dbraw/zinc/99/42/74/360994274.db2.gz HAPQWJXHZHQEBR-KRWDZBQOSA-N 1 3 273.424 1.599 50 0 CDAAHO CN(Cc1ccccc1)C[C@H]1CCC[N@H+](CCO)C1 ZINC000065460517 357543504 /nfs/dbraw/zinc/54/35/04/357543504.db2.gz XOQZAUJMTLVLIL-MRXNPFEDSA-N 1 3 262.397 1.823 50 0 CDAAHO CN(Cc1ccccc1)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000065460517 357543508 /nfs/dbraw/zinc/54/35/08/357543508.db2.gz XOQZAUJMTLVLIL-MRXNPFEDSA-N 1 3 262.397 1.823 50 0 CDAAHO Cc1ccc2c(N3CC[C@@H]([NH3+])[C@H](O)C3)ccnc2c1C ZINC000082115142 358147899 /nfs/dbraw/zinc/14/78/99/358147899.db2.gz YURLJIHKGQJASG-UKRRQHHQSA-N 1 3 271.364 1.750 50 0 CDAAHO CC(C)[NH+]1CCC(N(C)C(=O)C2(N)CCCC2)CC1 ZINC000037804653 373353000 /nfs/dbraw/zinc/35/30/00/373353000.db2.gz WBIJWDFCWZTZKA-UHFFFAOYSA-N 1 3 267.417 1.589 50 0 CDAAHO COc1cc(C[NH2+]CCCN(C)C)cc(OC)c1OC ZINC000002518426 355972697 /nfs/dbraw/zinc/97/26/97/355972697.db2.gz UEQSXXIWIFDWFA-UHFFFAOYSA-N 1 3 282.384 1.754 50 0 CDAAHO CSCC[C@H](N)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299739106 356266990 /nfs/dbraw/zinc/26/69/90/356266990.db2.gz KNADUFWHLQENDX-WOPDTQHZSA-N 1 3 273.446 1.008 50 0 CDAAHO CSCC[C@H](N)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299739106 356266993 /nfs/dbraw/zinc/26/69/93/356266993.db2.gz KNADUFWHLQENDX-WOPDTQHZSA-N 1 3 273.446 1.008 50 0 CDAAHO CCCN1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000299738949 357700850 /nfs/dbraw/zinc/70/08/50/357700850.db2.gz ISYQZVAYSSWJKE-STQMWFEESA-N 1 3 253.390 1.058 50 0 CDAAHO CN(C)CCOc1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC000097732736 358795617 /nfs/dbraw/zinc/79/56/17/358795617.db2.gz ZMRCWMWGRPVXBI-INIZCTEOSA-N 1 3 291.439 1.940 50 0 CDAAHO CC[N@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000096432438 390519804 /nfs/dbraw/zinc/51/98/04/390519804.db2.gz CGNDGKDKDDMTFE-ZDUSSCGKSA-N 1 3 255.406 1.127 50 0 CDAAHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC000096432438 390519806 /nfs/dbraw/zinc/51/98/06/390519806.db2.gz CGNDGKDKDDMTFE-ZDUSSCGKSA-N 1 3 255.406 1.127 50 0 CDAAHO Cc1ncsc1CCC[NH2+]C[C@]1(O)CCCNC1 ZINC000077519370 177277823 /nfs/dbraw/zinc/27/78/23/177277823.db2.gz XPNBXNLWIJSTRW-CYBMUJFWSA-N 1 3 269.414 1.088 50 0 CDAAHO Cc1ncsc1CCCNC[C@]1(O)CCC[NH2+]C1 ZINC000077519370 177277824 /nfs/dbraw/zinc/27/78/24/177277824.db2.gz XPNBXNLWIJSTRW-CYBMUJFWSA-N 1 3 269.414 1.088 50 0 CDAAHO O[C@]12CC[NH2+]C[C@H]1CN(c1ccnc3ccccc31)CC2 ZINC000095391695 358692015 /nfs/dbraw/zinc/69/20/15/358692015.db2.gz DMMVAMQHWWBRAW-GUYCJALGSA-N 1 3 283.375 1.786 50 0 CDAAHO Cc1cccc(CN2CCC[C@@](O)(C[NH+](C)C)CC2)n1 ZINC000072168518 176332391 /nfs/dbraw/zinc/33/23/91/176332391.db2.gz QJDJSENTGOJDKT-INIZCTEOSA-N 1 3 277.412 1.669 50 0 CDAAHO CC(C)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000262676486 279174606 /nfs/dbraw/zinc/17/46/06/279174606.db2.gz SKTDUHDYOZTILC-UPJWGTAASA-N 1 3 255.406 1.301 50 0 CDAAHO CC(C)C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000262676486 279174608 /nfs/dbraw/zinc/17/46/08/279174608.db2.gz SKTDUHDYOZTILC-UPJWGTAASA-N 1 3 255.406 1.301 50 0 CDAAHO CC(C)[C@H](CN1CCOCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000095974251 280238163 /nfs/dbraw/zinc/23/81/63/280238163.db2.gz IWMRMUHLKWTPGN-ZACQAIPSSA-N 1 3 295.471 1.560 50 0 CDAAHO CC(C)[C@H](CN1CCOCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000095974251 280238165 /nfs/dbraw/zinc/23/81/65/280238165.db2.gz IWMRMUHLKWTPGN-ZACQAIPSSA-N 1 3 295.471 1.560 50 0 CDAAHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000251942144 297095153 /nfs/dbraw/zinc/09/51/53/297095153.db2.gz ZRAXDDXGRDMKBG-XJFOESAGSA-N 1 3 265.401 1.199 50 0 CDAAHO CN(C)Cc1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000178540709 362245943 /nfs/dbraw/zinc/24/59/43/362245943.db2.gz VIMIYRCFXNXEFN-CYBMUJFWSA-N 1 3 261.369 1.169 50 0 CDAAHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000408523384 359931067 /nfs/dbraw/zinc/93/10/67/359931067.db2.gz RGTXIGOLOJSJPJ-ZIAGYGMSSA-N 1 3 267.417 1.319 50 0 CDAAHO c1ccc(CCN2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000178978263 189158991 /nfs/dbraw/zinc/15/89/91/189158991.db2.gz SFKGJAGBPWXIAN-UHFFFAOYSA-N 1 3 287.451 1.846 50 0 CDAAHO O[C@@]1(CNC2CCN(c3ccccc3F)CC2)CC[NH2+]C1 ZINC000072423412 390642179 /nfs/dbraw/zinc/64/21/79/390642179.db2.gz GAHCFKULHYCJHG-INIZCTEOSA-N 1 3 293.386 1.109 50 0 CDAAHO COc1ccc(N2C(=[NH2+])NC(=N)NC23CCCC3)cc1 ZINC000000203702 295156054 /nfs/dbraw/zinc/15/60/54/295156054.db2.gz IJGFJERBVMWCDY-UHFFFAOYSA-N 1 3 273.340 1.415 50 0 biogenic CDAAHO c1cc2ccc(CN3CCC4(CC3)C[NH2+]CCO4)nc2[nH]1 ZINC000534654413 328338778 /nfs/dbraw/zinc/33/87/78/328338778.db2.gz MTIVISNQXPKKFK-UHFFFAOYSA-N 1 3 286.379 1.517 50 0 CDAAHO O[C@@H](CNCCc1ccccc1)C[NH+]1CCCCC1 ZINC000312083905 1159587633 /nfs/dbraw/zinc/58/76/33/1159587633.db2.gz VKFRUJGLKJYKNF-INIZCTEOSA-N 1 3 262.397 1.666 50 0 CDAAHO CC1(C)CC(NCCN2CCC[C@H](CO)C2)CC(C)(C)[NH2+]1 ZINC000828711114 926169025 /nfs/dbraw/zinc/16/90/25/926169025.db2.gz FLZKQWINHCIPKN-AWEZNQCLSA-N 1 3 297.487 1.590 50 0 CDAAHO CSCC[C@@H](N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000252495537 342382532 /nfs/dbraw/zinc/38/25/32/342382532.db2.gz OSVOKESMUGCZDC-TZMCWYRMSA-N 1 3 299.484 1.542 50 0 CDAAHO CSCC[C@@H](N)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000252495537 342382533 /nfs/dbraw/zinc/38/25/33/342382533.db2.gz OSVOKESMUGCZDC-TZMCWYRMSA-N 1 3 299.484 1.542 50 0 CDAAHO CCOC(=O)CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000239352755 276277452 /nfs/dbraw/zinc/27/74/52/276277452.db2.gz ADKWJLPWNCWVKV-ZFWWWQNUSA-N 1 3 280.412 1.888 50 0 CDAAHO CCOC(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000239352755 276277453 /nfs/dbraw/zinc/27/74/53/276277453.db2.gz ADKWJLPWNCWVKV-ZFWWWQNUSA-N 1 3 280.412 1.888 50 0 CDAAHO CCN(CC)CCC[NH2+]C1CCN(C(C)=O)CC1 ZINC000032917413 279099879 /nfs/dbraw/zinc/09/98/79/279099879.db2.gz GKMUVZXDDZGWQW-UHFFFAOYSA-N 1 3 255.406 1.319 50 0 CDAAHO O=C(CN1CCCCCCC1)NC[C@@H]1CCC[NH2+]1 ZINC000534634920 328333114 /nfs/dbraw/zinc/33/31/14/328333114.db2.gz VKIMAGOZKDHLQL-ZDUSSCGKSA-N 1 3 253.390 1.121 50 0 CDAAHO C[N@@H+]1CCCC2(CCN(Cc3cnc(N)nc3)CC2)CC1 ZINC000584904064 341994115 /nfs/dbraw/zinc/99/41/15/341994115.db2.gz OTZAIISLIFNJBD-UHFFFAOYSA-N 1 3 289.427 1.587 50 0 CDAAHO C[N@H+]1CCCC2(CCN(Cc3cnc(N)nc3)CC2)CC1 ZINC000584904064 341994116 /nfs/dbraw/zinc/99/41/16/341994116.db2.gz OTZAIISLIFNJBD-UHFFFAOYSA-N 1 3 289.427 1.587 50 0 CDAAHO CSCC[C@@H](N)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000195554589 363462311 /nfs/dbraw/zinc/46/23/11/363462311.db2.gz OSVOKESMUGCZDC-GXTWGEPZSA-N 1 3 299.484 1.542 50 0 CDAAHO CSCC[C@@H](N)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000195554589 363462313 /nfs/dbraw/zinc/46/23/13/363462313.db2.gz OSVOKESMUGCZDC-GXTWGEPZSA-N 1 3 299.484 1.542 50 0 CDAAHO c1nc(SCCNC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n[nH]1 ZINC000063881988 357519201 /nfs/dbraw/zinc/51/92/01/357519201.db2.gz XTFAMOFCJZSXIC-QWHCGFSZSA-N 1 3 295.456 1.751 50 0 CDAAHO c1nc(SCCNC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n[nH]1 ZINC000063881988 357519206 /nfs/dbraw/zinc/51/92/06/357519206.db2.gz XTFAMOFCJZSXIC-QWHCGFSZSA-N 1 3 295.456 1.751 50 0 CDAAHO CC(C)CN1CCO[C@@H](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000067955025 357640072 /nfs/dbraw/zinc/64/00/72/357640072.db2.gz SYLDIRPOFVFXGT-AWEZNQCLSA-N 1 3 297.443 1.121 50 0 CDAAHO O=C(CN1CCCCCCC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067894659 357636379 /nfs/dbraw/zinc/63/63/79/357636379.db2.gz LGSWAPPNSVWDDB-KRWDZBQOSA-N 1 3 293.455 1.855 50 0 CDAAHO Cc1ccc(OCC[NH2+]C[C@@]2(O)CCCNC2)cc1C ZINC000072419085 357833562 /nfs/dbraw/zinc/83/35/62/357833562.db2.gz DTTXRRYGPDNSJS-MRXNPFEDSA-N 1 3 278.396 1.386 50 0 CDAAHO C[N@@H+]1CC[C@H]2CN([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518930 277179349 /nfs/dbraw/zinc/17/93/49/277179349.db2.gz KVMLLYUFUXXAOG-ZMSDIMECSA-N 1 3 299.418 1.675 50 0 CDAAHO C[N@H+]1CC[C@H]2CN([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518930 277179350 /nfs/dbraw/zinc/17/93/50/277179350.db2.gz KVMLLYUFUXXAOG-ZMSDIMECSA-N 1 3 299.418 1.675 50 0 CDAAHO CN1CC[C@H]2C[N@@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518930 277179352 /nfs/dbraw/zinc/17/93/52/277179352.db2.gz KVMLLYUFUXXAOG-ZMSDIMECSA-N 1 3 299.418 1.675 50 0 CDAAHO CN1CC[C@H]2C[N@H+]([C@@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518930 277179354 /nfs/dbraw/zinc/17/93/54/277179354.db2.gz KVMLLYUFUXXAOG-ZMSDIMECSA-N 1 3 299.418 1.675 50 0 CDAAHO [NH3+]C[C@@H]1CCN(C(=O)c2cccc(CN3CCCC3)c2)C1 ZINC000178576306 303409704 /nfs/dbraw/zinc/40/97/04/303409704.db2.gz SWEYIZQHKBFPHY-HNNXBMFYSA-N 1 3 287.407 1.703 50 0 CDAAHO CCOc1ccc(CC[NH2+]C[C@@]2(O)CCCNC2)cc1 ZINC000072474899 357837917 /nfs/dbraw/zinc/83/79/17/357837917.db2.gz UIXKSFWGERSJRP-MRXNPFEDSA-N 1 3 278.396 1.332 50 0 CDAAHO CCOc1ccc(CCNC[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000072474899 357837922 /nfs/dbraw/zinc/83/79/22/357837922.db2.gz UIXKSFWGERSJRP-MRXNPFEDSA-N 1 3 278.396 1.332 50 0 CDAAHO c1cc(CN2CCC3(CC2)C[NH2+]CCO3)cc2c1OCC2 ZINC000426677973 360695545 /nfs/dbraw/zinc/69/55/45/360695545.db2.gz IISMCFGYXCIDJJ-UHFFFAOYSA-N 1 3 288.391 1.576 50 0 CDAAHO CN(C)[C@@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000299763895 373788714 /nfs/dbraw/zinc/78/87/14/373788714.db2.gz YQIDEMBTRCSHNZ-OAHLLOKOSA-N 1 3 290.411 1.826 50 0 CDAAHO CN(C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccnc2)CC1 ZINC000299763895 373788719 /nfs/dbraw/zinc/78/87/19/373788719.db2.gz YQIDEMBTRCSHNZ-OAHLLOKOSA-N 1 3 290.411 1.826 50 0 CDAAHO OCCCCCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000096421818 390514457 /nfs/dbraw/zinc/51/44/57/390514457.db2.gz JUEBTNNNOCUEPL-ILXRZTDVSA-N 1 3 252.402 1.565 50 0 CDAAHO OCCCCCN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000096421818 390514459 /nfs/dbraw/zinc/51/44/59/390514459.db2.gz JUEBTNNNOCUEPL-ILXRZTDVSA-N 1 3 252.402 1.565 50 0 CDAAHO COc1ccccc1N1CCN(CCCC[NH3+])CC1 ZINC000011805330 356279885 /nfs/dbraw/zinc/27/98/85/356279885.db2.gz UFJPFLDFMPVGRW-UHFFFAOYSA-N 1 3 263.385 1.556 50 0 CDAAHO CC(C)[NH+]1CCC(N2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000015064846 356405451 /nfs/dbraw/zinc/40/54/51/356405451.db2.gz JDOOZUBUINAGTK-AWEZNQCLSA-N 1 3 293.455 1.850 50 0 CDAAHO OCCCCCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000247764696 358763270 /nfs/dbraw/zinc/76/32/70/358763270.db2.gz JUEBTNNNOCUEPL-QLFBSQMISA-N 1 3 252.402 1.565 50 0 CDAAHO OCCCCCN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000247764696 358763272 /nfs/dbraw/zinc/76/32/72/358763272.db2.gz JUEBTNNNOCUEPL-QLFBSQMISA-N 1 3 252.402 1.565 50 0 CDAAHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000296219856 374703582 /nfs/dbraw/zinc/70/35/82/374703582.db2.gz PSGHZDRHNBYWDR-NWANDNLSSA-N 1 3 275.396 1.142 50 0 CDAAHO Cn1cc(CCCN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000089755627 135060596 /nfs/dbraw/zinc/06/05/96/135060596.db2.gz SZKMYIRRZAXAJL-UHFFFAOYSA-N 1 3 285.395 1.570 50 0 CDAAHO O[C@@]1(CNCCCSc2ccccc2)CC[NH2+]C1 ZINC000077337274 177254081 /nfs/dbraw/zinc/25/40/81/177254081.db2.gz ICVZWAAOZUTXRI-CQSZACIVSA-N 1 3 266.410 1.483 50 0 CDAAHO CN1CCCN(CC[C@H]2CC2(F)F)CC12CC[NH2+]CC2 ZINC000534667438 328345952 /nfs/dbraw/zinc/34/59/52/328345952.db2.gz PDGFFNHGEQDFIX-ZDUSSCGKSA-N 1 3 287.398 1.791 50 0 CDAAHO CC(C)(CN1CCCC1)C[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772708384 1159441591 /nfs/dbraw/zinc/44/15/91/1159441591.db2.gz CQFNNVSCMVCHPV-NVXWUHKLSA-N 1 3 296.455 1.439 50 0 CDAAHO CC(C)(CN1CCCC1)C[N@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772708384 1159441593 /nfs/dbraw/zinc/44/15/93/1159441593.db2.gz CQFNNVSCMVCHPV-NVXWUHKLSA-N 1 3 296.455 1.439 50 0 CDAAHO CC(C)(CN1C[C@@H]2COCC[C@]2(CO)C1)C[NH+]1CCCC1 ZINC001772708384 1159441594 /nfs/dbraw/zinc/44/15/94/1159441594.db2.gz CQFNNVSCMVCHPV-NVXWUHKLSA-N 1 3 296.455 1.439 50 0 CDAAHO NC[C@@H]1CCC[NH2+][C@@H]1[C@@H]1CC[C@H](C(F)(F)F)NC1 ZINC000757216159 574908374 /nfs/dbraw/zinc/90/83/74/574908374.db2.gz YCCRSESSTVICKV-ZDCRXTMVSA-N 1 3 265.323 1.244 50 0 CDAAHO CC[NH+](CC)C1CCN(C(=O)[C@@H]2CCCN2C2CC2)CC1 ZINC000252489751 367583777 /nfs/dbraw/zinc/58/37/77/367583777.db2.gz JZEXERQXNBQUGI-INIZCTEOSA-N 1 3 293.455 1.946 50 0 CDAAHO [NH3+][C@H]1[C@@H]2CC[C@H]1CN(C[C@H]1CC(=O)N(c3ccccc3)C1)C2 ZINC000299757367 372745784 /nfs/dbraw/zinc/74/57/84/372745784.db2.gz IGBIADUEVDGXDI-BSXFFOKHSA-N 1 3 299.418 1.709 50 0 CDAAHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000296219852 374703784 /nfs/dbraw/zinc/70/37/84/374703784.db2.gz PSGHZDRHNBYWDR-AEGPPILISA-N 1 3 275.396 1.142 50 0 CDAAHO COC[C@H](C)[NH+]1CCC(CCC(=O)NCCN(C)C)CC1 ZINC000012053101 170468065 /nfs/dbraw/zinc/46/80/65/170468065.db2.gz QSMLXBKGGVTXMS-AWEZNQCLSA-N 1 3 299.459 1.191 50 0 CDAAHO CC1(C)CC(N[C@H]2COC[C@@H]2N2CCCC2)CC(C)(C)[NH2+]1 ZINC000822293573 1161927628 /nfs/dbraw/zinc/92/76/28/1161927628.db2.gz PMGGVTKRQSUFFP-GJZGRUSLSA-N 1 3 295.471 1.748 50 0 CDAAHO Cc1cc(N)cc(CNC[C@@H](C[NH3+])Cc2cnn(C)c2)c1 ZINC000685940391 539045823 /nfs/dbraw/zinc/04/58/23/539045823.db2.gz IHYRHOPDKSPADK-CQSZACIVSA-N 1 3 287.411 1.218 50 0 CDAAHO Cc1n[nH]c(C)c1CN1CCC2(CC[NH2+]C[C@H]2CO)CC1 ZINC000097745224 185660051 /nfs/dbraw/zinc/66/00/51/185660051.db2.gz BFXOEGPCYXSQGC-AWEZNQCLSA-N 1 3 292.427 1.211 50 0 CDAAHO C[N@@H+]1CCC[C@@H]1CNC(=O)CN1CCCCCCC1 ZINC000584896044 349357542 /nfs/dbraw/zinc/35/75/42/349357542.db2.gz BVSBFICSFPGGOV-CQSZACIVSA-N 1 3 267.417 1.463 50 0 CDAAHO C[N@H+]1CCC[C@@H]1CNC(=O)CN1CCCCCCC1 ZINC000584896044 349357545 /nfs/dbraw/zinc/35/75/45/349357545.db2.gz BVSBFICSFPGGOV-CQSZACIVSA-N 1 3 267.417 1.463 50 0 CDAAHO CCN1CCC(C[NH2+][C@@H](C)COC)(N(C)C)CC1 ZINC000584899893 349361687 /nfs/dbraw/zinc/36/16/87/349361687.db2.gz LENOWUJFLLFYHR-ZDUSSCGKSA-N 1 3 257.422 1.027 50 0 CDAAHO Cc1cccc(OC2CN(C(=O)[C@@H](N)CCCC[NH3+])C2)c1 ZINC000091603873 180203546 /nfs/dbraw/zinc/20/35/46/180203546.db2.gz HYELNSUWFWKJNK-HNNXBMFYSA-N 1 3 291.395 1.041 50 0 CDAAHO CC[C@@]1(C)CCCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878147236 850483363 /nfs/dbraw/zinc/48/33/63/850483363.db2.gz AUXQACSRGCSPED-INIZCTEOSA-N 1 3 281.444 1.709 50 0 CDAAHO CC[C@@H](C(=O)NC[C@H]1C[NH2+]Cc2ccccc21)N(C)C ZINC000952852326 910408536 /nfs/dbraw/zinc/40/85/36/910408536.db2.gz WAGIHBITGQITOL-HIFRSBDPSA-N 1 3 275.396 1.330 50 0 CDAAHO Cc1nc(CN)cc(N(C)CC[N@H+]2CCCC[C@H]2C)n1 ZINC000827452424 925941403 /nfs/dbraw/zinc/94/14/03/925941403.db2.gz PPXSJYVSVCUIGN-GFCCVEGCSA-N 1 3 277.416 1.554 50 0 CDAAHO Cc1nc(CN)cc(N(C)CC[N@@H+]2CCCC[C@H]2C)n1 ZINC000827452424 925941410 /nfs/dbraw/zinc/94/14/10/925941410.db2.gz PPXSJYVSVCUIGN-GFCCVEGCSA-N 1 3 277.416 1.554 50 0 CDAAHO [NH3+][C@@H]1CCN(c2nc(-c3ccccc3)nc3c2CCNC3)C1 ZINC000067754347 357624505 /nfs/dbraw/zinc/62/45/05/357624505.db2.gz DSZJFNGJOOZYSH-CYBMUJFWSA-N 1 3 295.390 1.327 50 0 CDAAHO CC(C)C[N@H+](C)CCN1CC2(CCN(C)CC2)OC1=O ZINC000072469772 357837691 /nfs/dbraw/zinc/83/76/91/357837691.db2.gz XUXGQBLSFBYPKA-UHFFFAOYSA-N 1 3 283.416 1.491 50 0 CDAAHO CC(C)C[N@@H+](C)CCN1CC2(CCN(C)CC2)OC1=O ZINC000072469772 357837696 /nfs/dbraw/zinc/83/76/96/357837696.db2.gz XUXGQBLSFBYPKA-UHFFFAOYSA-N 1 3 283.416 1.491 50 0 CDAAHO Cc1nc(C2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc(=O)[n-]1 ZINC000102353255 358875521 /nfs/dbraw/zinc/87/55/21/358875521.db2.gz XQNWXPIKDVLVQH-WDNDVIMCSA-N 1 3 288.395 1.135 50 0 CDAAHO CCSC[C@@H](C)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426383118 360661141 /nfs/dbraw/zinc/66/11/41/360661141.db2.gz JZIYASHCHALCTD-CQSZACIVSA-N 1 3 285.501 1.888 50 0 CDAAHO CC(C)[NH+]1CCC(CN2CCN3CCN(C)C[C@H]3C2)CC1 ZINC000106251106 361595240 /nfs/dbraw/zinc/59/52/40/361595240.db2.gz ZUWMMWASXDKCJA-KRWDZBQOSA-N 1 3 294.487 1.038 50 0 CDAAHO C[C@@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000089901538 366962105 /nfs/dbraw/zinc/96/21/05/366962105.db2.gz NXOAHIPOASISNC-AWEZNQCLSA-N 1 3 291.439 1.687 50 0 CDAAHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000299738717 375199147 /nfs/dbraw/zinc/19/91/47/375199147.db2.gz FMRYHZJVWARLMI-MGPQQGTHSA-N 1 3 267.417 1.447 50 0 CDAAHO O[C@]1(CNCCCSc2ccccc2)CC[NH2+]C1 ZINC000077337279 177253961 /nfs/dbraw/zinc/25/39/61/177253961.db2.gz ICVZWAAOZUTXRI-AWEZNQCLSA-N 1 3 266.410 1.483 50 0 CDAAHO CSCC[C@H](N)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000195554590 363461459 /nfs/dbraw/zinc/46/14/59/363461459.db2.gz OSVOKESMUGCZDC-JSGCOSHPSA-N 1 3 299.484 1.542 50 0 CDAAHO CSCC[C@H](N)C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000195554590 363461466 /nfs/dbraw/zinc/46/14/66/363461466.db2.gz OSVOKESMUGCZDC-JSGCOSHPSA-N 1 3 299.484 1.542 50 0 CDAAHO [NH3+][C@@H]1CC[C@@H](NCc2cc(=O)c3cccc(F)c3[nH]2)C1 ZINC000095353712 358683612 /nfs/dbraw/zinc/68/36/12/358683612.db2.gz YLGSTNDDQKDHER-NXEZZACHSA-N 1 3 275.327 1.637 50 0 CDAAHO CC1(C)NC(=N)NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000001666576 391857459 /nfs/dbraw/zinc/85/74/59/391857459.db2.gz AXIUXECRTOGILY-UHFFFAOYSA-N 1 3 251.721 1.526 50 0 CDAAHO C[N@H+](CCNC(=O)[C@@H]1CCCN1C1CC1)C1CCCC1 ZINC000252500639 361851149 /nfs/dbraw/zinc/85/11/49/361851149.db2.gz SZQHPWUGPYIAOH-HNNXBMFYSA-N 1 3 279.428 1.604 50 0 CDAAHO C[N@@H+](CCNC(=O)[C@@H]1CCCN1C1CC1)C1CCCC1 ZINC000252500639 361851150 /nfs/dbraw/zinc/85/11/50/361851150.db2.gz SZQHPWUGPYIAOH-HNNXBMFYSA-N 1 3 279.428 1.604 50 0 CDAAHO CC(C)=CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000095983992 185055079 /nfs/dbraw/zinc/05/50/79/185055079.db2.gz XKZRYSAZHFJVPD-UHFFFAOYSA-N 1 3 253.434 1.910 50 0 CDAAHO CC(C)=CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000095983992 185055080 /nfs/dbraw/zinc/05/50/80/185055080.db2.gz XKZRYSAZHFJVPD-UHFFFAOYSA-N 1 3 253.434 1.910 50 0 CDAAHO C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)C1 ZINC000091394229 180145323 /nfs/dbraw/zinc/14/53/23/180145323.db2.gz JFVQQBOBSJMSDM-HUUCEWRRSA-N 1 3 275.396 1.629 50 0 CDAAHO C[C@@H](C(=O)NC[C@H]1CC[N@H+](C)C1)N1CCCCCC1 ZINC000096436182 357472324 /nfs/dbraw/zinc/47/23/24/357472324.db2.gz WYSLSWFNDCYREB-UONOGXRCSA-N 1 3 267.417 1.319 50 0 CDAAHO C[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)N1CCCCCC1 ZINC000096436182 357472326 /nfs/dbraw/zinc/47/23/26/357472326.db2.gz WYSLSWFNDCYREB-UONOGXRCSA-N 1 3 267.417 1.319 50 0 CDAAHO O[C@]1(C[NH2+]CCOCc2ccc(Cl)cc2)CCCNC1 ZINC000072423353 357833707 /nfs/dbraw/zinc/83/37/07/357833707.db2.gz FGEODQWLUVBJLE-OAHLLOKOSA-N 1 3 298.814 1.561 50 0 CDAAHO c1cc2nonc2c(CN2CCC3(CC2)C[NH2+]CCO3)c1 ZINC000426690200 360696706 /nfs/dbraw/zinc/69/67/06/360696706.db2.gz AOBQKVNQUUHGKI-UHFFFAOYSA-N 1 3 288.351 1.177 50 0 CDAAHO CC(C)N1CCN(CCC[N@H+](C)C[C@@H]2CCCO2)CC1 ZINC000191454512 361059352 /nfs/dbraw/zinc/05/93/52/361059352.db2.gz OFDNEFLRXNUJBB-INIZCTEOSA-N 1 3 283.460 1.513 50 0 CDAAHO CC(C)N1CCN(CCC[N@@H+](C)C[C@@H]2CCCO2)CC1 ZINC000191454512 361059355 /nfs/dbraw/zinc/05/93/55/361059355.db2.gz OFDNEFLRXNUJBB-INIZCTEOSA-N 1 3 283.460 1.513 50 0 CDAAHO C[NH+]1CCC(NC[C@@H](O)c2cccc(F)c2)CC1 ZINC000037887393 374820413 /nfs/dbraw/zinc/82/04/13/374820413.db2.gz PTSKDJMDPNHXBI-CQSZACIVSA-N 1 3 252.333 1.543 50 0 CDAAHO CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000299738848 375199878 /nfs/dbraw/zinc/19/98/78/375199878.db2.gz HGDZUPIHBXPBAJ-ZIAGYGMSSA-N 1 3 267.417 1.319 50 0 CDAAHO CCC[C@@]12CNC[C@@](CCC)(C[N@H+](CC)C1)[C@H]2O ZINC000250221049 377101951 /nfs/dbraw/zinc/10/19/51/377101951.db2.gz WKQPIKSIYRSCAO-QDMKHBRRSA-N 1 3 254.418 1.859 50 0 CDAAHO CCC[C@@]12CNC[C@@](CCC)(C[N@@H+](CC)C1)[C@H]2O ZINC000250221049 377101958 /nfs/dbraw/zinc/10/19/58/377101958.db2.gz WKQPIKSIYRSCAO-QDMKHBRRSA-N 1 3 254.418 1.859 50 0 CDAAHO C[NH2+]CC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071750938 176260058 /nfs/dbraw/zinc/26/00/58/176260058.db2.gz WGMQZGHFNTZMBX-CGTJXYLNSA-N 1 3 299.418 1.295 50 0 CDAAHO C1C[C@@H](NC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000584903972 341994130 /nfs/dbraw/zinc/99/41/30/341994130.db2.gz HINZUWSLIYPDRA-CYBMUJFWSA-N 1 3 270.442 1.725 50 0 CDAAHO C[N@@H+]1CCC[C@H]1CNC(=O)CN1CCCCCCC1 ZINC000584896040 349357499 /nfs/dbraw/zinc/35/74/99/349357499.db2.gz BVSBFICSFPGGOV-AWEZNQCLSA-N 1 3 267.417 1.463 50 0 CDAAHO C[N@H+]1CCC[C@H]1CNC(=O)CN1CCCCCCC1 ZINC000584896040 349357503 /nfs/dbraw/zinc/35/75/03/349357503.db2.gz BVSBFICSFPGGOV-AWEZNQCLSA-N 1 3 267.417 1.463 50 0 CDAAHO Cc1cc(F)ccc1C[N@@H+]1C[C@H](CO)[C@H](CN(C)C)C1 ZINC000091626005 180209271 /nfs/dbraw/zinc/20/92/71/180209271.db2.gz CWNGEOVUHGJSSH-HUUCEWRRSA-N 1 3 280.387 1.736 50 0 CDAAHO Cc1cc(F)ccc1C[N@H+]1C[C@H](CO)[C@H](CN(C)C)C1 ZINC000091626005 180209272 /nfs/dbraw/zinc/20/92/72/180209272.db2.gz CWNGEOVUHGJSSH-HUUCEWRRSA-N 1 3 280.387 1.736 50 0 CDAAHO C[NH+](C)CCOCCNCc1ccc(OC(F)F)cc1 ZINC000097049984 357930076 /nfs/dbraw/zinc/93/00/76/357930076.db2.gz YJANOEDETUGXHH-UHFFFAOYSA-N 1 3 288.338 1.956 50 0 CDAAHO C[C@H](CCn1cccn1)[NH+]1CCC2(CC1)CNCCO2 ZINC000426479098 360673927 /nfs/dbraw/zinc/67/39/27/360673927.db2.gz YYEDJCQGLOUMQK-CQSZACIVSA-N 1 3 278.400 1.116 50 0 CDAAHO CC[NH+](CC)C1CCN(C(=O)[C@H]2CCCN2C2CC2)CC1 ZINC000252489752 367583287 /nfs/dbraw/zinc/58/32/87/367583287.db2.gz JZEXERQXNBQUGI-MRXNPFEDSA-N 1 3 293.455 1.946 50 0 CDAAHO O[C@@H]1CN(C2CCC3(CC[NH2+]CC3)CC2)C[C@H]1F ZINC000952963035 678407416 /nfs/dbraw/zinc/40/74/16/678407416.db2.gz HGUYWWFDGOKKSH-CHWSQXEVSA-N 1 3 256.365 1.313 50 0 CDAAHO COCCN1CCC2(CC1)C[NH2+]Cc1ccccc1O2 ZINC000257196936 391245773 /nfs/dbraw/zinc/24/57/73/391245773.db2.gz ZDTNDHPAROLFNS-UHFFFAOYSA-N 1 3 276.380 1.650 50 0 CDAAHO [NH3+][C@@H]1CC[C@H]2CN(CCC(=O)Nc3ccccc3)C[C@H]12 ZINC000261856019 140398777 /nfs/dbraw/zinc/39/87/77/140398777.db2.gz XEGNLKHGZQVCOH-AEGPPILISA-N 1 3 273.380 1.684 50 0 CDAAHO CC[C@H](C(=O)NCCN1CCCCC1)[N@H+](C)CC ZINC000822555075 1161928536 /nfs/dbraw/zinc/92/85/36/1161928536.db2.gz JIBHGDVYFVSPNW-CYBMUJFWSA-N 1 3 255.406 1.319 50 0 CDAAHO CC[C@H](C(=O)NCCN1CCCCC1)[N@@H+](C)CC ZINC000822555075 1161928537 /nfs/dbraw/zinc/92/85/37/1161928537.db2.gz JIBHGDVYFVSPNW-CYBMUJFWSA-N 1 3 255.406 1.319 50 0 CDAAHO C[C@H]1CN(C2CC[NH+](C[C@@H]3CCN(C)C3)CC2)CCO1 ZINC000089941159 366974691 /nfs/dbraw/zinc/97/46/91/366974691.db2.gz DZWZLLBGFSDSOG-LSDHHAIUSA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@H]1CN(C2CCN(C[C@@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000089941159 366974695 /nfs/dbraw/zinc/97/46/95/366974695.db2.gz DZWZLLBGFSDSOG-LSDHHAIUSA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@H]1CN(C2CCN(C[C@@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000089941159 366974698 /nfs/dbraw/zinc/97/46/98/366974698.db2.gz DZWZLLBGFSDSOG-LSDHHAIUSA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1Nc1cnn(CCN(C)C)c1 ZINC000097037673 375139464 /nfs/dbraw/zinc/13/94/64/375139464.db2.gz QSJBCARSVWVSQO-IPYPFGDCSA-N 1 3 279.432 1.585 50 0 CDAAHO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cnn(CCN(C)C)c1 ZINC000097037673 375139470 /nfs/dbraw/zinc/13/94/70/375139470.db2.gz QSJBCARSVWVSQO-IPYPFGDCSA-N 1 3 279.432 1.585 50 0 CDAAHO CN1CCCN(CC[C@@H]2CC2(F)F)CC12CC[NH2+]CC2 ZINC000534667434 328345778 /nfs/dbraw/zinc/34/57/78/328345778.db2.gz PDGFFNHGEQDFIX-CYBMUJFWSA-N 1 3 287.398 1.791 50 0 CDAAHO CC[C@@H](C(=O)NCC(C)(C)[NH+]1CCCC1)N(C)CC ZINC000822554853 1161928331 /nfs/dbraw/zinc/92/83/31/1161928331.db2.gz OGBLGSWAWYYMTC-ZDUSSCGKSA-N 1 3 269.433 1.707 50 0 CDAAHO COCCCC[NH+]1CCC(C)(CN2CCN(C)CC2)CC1 ZINC000096014162 185066381 /nfs/dbraw/zinc/06/63/81/185066381.db2.gz LKXSWUZOYFJFSL-UHFFFAOYSA-N 1 3 297.487 1.763 50 0 CDAAHO CN(C)Cc1cccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000091545352 180186490 /nfs/dbraw/zinc/18/64/90/180186490.db2.gz CGOYEHCGEWDXTK-OLZOCXBDSA-N 1 3 261.369 1.814 50 0 CDAAHO CC(C)CN1CCO[C@H](CCNC(=O)C2([NH3+])CCCC2)C1 ZINC000067955023 357640043 /nfs/dbraw/zinc/64/00/43/357640043.db2.gz SYLDIRPOFVFXGT-CQSZACIVSA-N 1 3 297.443 1.121 50 0 CDAAHO OC[C@@H]1CN(Cc2ccccc2F)CC12CC[NH2+]CC2 ZINC000409421499 360229990 /nfs/dbraw/zinc/22/99/90/360229990.db2.gz ZLJCQDUIHBAHHP-AWEZNQCLSA-N 1 3 278.371 1.620 50 0 CDAAHO CCCC[C@H](N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000252513902 367726018 /nfs/dbraw/zinc/72/60/18/367726018.db2.gz AQWQWFFHNJJHCD-HIFRSBDPSA-N 1 3 281.444 1.979 50 0 CDAAHO CCCC[C@H](N)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000252513902 367726025 /nfs/dbraw/zinc/72/60/25/367726025.db2.gz AQWQWFFHNJJHCD-HIFRSBDPSA-N 1 3 281.444 1.979 50 0 CDAAHO CC(C)C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000299739310 279134118 /nfs/dbraw/zinc/13/41/18/279134118.db2.gz NFYBWFJPNXYVLH-MGPQQGTHSA-N 1 3 269.433 1.549 50 0 CDAAHO CC[N@@H+]1CCC[C@@H](N2CCN(C(C)C)[C@@H](C)C2)C1 ZINC000032540699 279293007 /nfs/dbraw/zinc/29/30/07/279293007.db2.gz BCSJDSWAOGLBCU-LSDHHAIUSA-N 1 3 253.434 1.885 50 0 CDAAHO CC[N@H+]1CCC[C@@H](N2CCN(C(C)C)[C@@H](C)C2)C1 ZINC000032540699 279293008 /nfs/dbraw/zinc/29/30/08/279293008.db2.gz BCSJDSWAOGLBCU-LSDHHAIUSA-N 1 3 253.434 1.885 50 0 CDAAHO C[NH+](C)[C@H]1CCCN(C(=O)[C@H](CN)c2ccccc2)C1 ZINC000091392050 289372336 /nfs/dbraw/zinc/37/23/36/289372336.db2.gz KREYCRCOJQIIBC-LSDHHAIUSA-N 1 3 275.396 1.282 50 0 CDAAHO CN1C[C@]2(C)CN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)C[C@](C)(C1)C2 ZINC000534649302 328343784 /nfs/dbraw/zinc/34/37/84/328343784.db2.gz VFNKGHFVGANEEA-WTTBNOFXSA-N 1 3 293.455 1.694 50 0 CDAAHO Cc1cc(N2CCN(CCC(N)=O)CC2)c2ccccc2[nH+]1 ZINC000032592878 688721482 /nfs/dbraw/zinc/72/14/82/688721482.db2.gz FZNUVTLYYWBJIA-UHFFFAOYSA-N 1 3 298.390 1.541 50 0 CDAAHO CCn1nnc(C)c1CN1CC[C@@H](CC[NH+](C)C)C1 ZINC000952880292 910442355 /nfs/dbraw/zinc/44/23/55/910442355.db2.gz CIFPFWKNCSBTSY-CYBMUJFWSA-N 1 3 265.405 1.380 50 0 CDAAHO C[C@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1CCCCCC1 ZINC000685939539 539045754 /nfs/dbraw/zinc/04/57/54/539045754.db2.gz YQXMSUPDGINDGU-CVEARBPZSA-N 1 3 293.455 1.948 50 0 CDAAHO C[C@H](C(=O)N1CCC[N@H+]2CCC[C@H]2C1)N1CCCCCC1 ZINC000685939539 539045755 /nfs/dbraw/zinc/04/57/55/539045755.db2.gz YQXMSUPDGINDGU-CVEARBPZSA-N 1 3 293.455 1.948 50 0 CDAAHO CCOc1ccc(C[NH2+]CCCNCCO)cc1 ZINC000013732677 356355364 /nfs/dbraw/zinc/35/53/64/356355364.db2.gz AUTJRDGREMFZGV-UHFFFAOYSA-N 1 3 252.358 1.147 50 0 CDAAHO O[C@]1(C[NH2+]CCCSCc2ccco2)CCCNC1 ZINC000072479174 357839003 /nfs/dbraw/zinc/83/90/03/357839003.db2.gz WFUXDVYTHTXYFS-CQSZACIVSA-N 1 3 284.425 1.607 50 0 CDAAHO O[C@]1(CNCCCSCc2ccco2)CCC[NH2+]C1 ZINC000072479174 357839008 /nfs/dbraw/zinc/83/90/08/357839008.db2.gz WFUXDVYTHTXYFS-CQSZACIVSA-N 1 3 284.425 1.607 50 0 CDAAHO OC[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245289579 378045915 /nfs/dbraw/zinc/04/59/15/378045915.db2.gz CTUMWRFFXBTOBG-BBWFWOEESA-N 1 3 274.408 1.979 50 0 CDAAHO OC[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000245289579 378045920 /nfs/dbraw/zinc/04/59/20/378045920.db2.gz CTUMWRFFXBTOBG-BBWFWOEESA-N 1 3 274.408 1.979 50 0 CDAAHO CN1CCCN(C[C@H]2CCCOC2)CC12CC[NH2+]CC2 ZINC000534666306 328345286 /nfs/dbraw/zinc/34/52/86/328345286.db2.gz LXFWJZBRVOPZAI-OAHLLOKOSA-N 1 3 281.444 1.173 50 0 CDAAHO C[NH+](C)CC1(O)CCN(CC2=CCCCC2)CC1 ZINC000670450924 483015958 /nfs/dbraw/zinc/01/59/58/483015958.db2.gz SATZTAIHXFJIIQ-UHFFFAOYSA-N 1 3 252.402 1.875 50 0 CDAAHO Cc1nccn1C[C@@H](C)[N@@H+]1CCCN(C(C)C)CC1 ZINC000821751102 925594935 /nfs/dbraw/zinc/59/49/35/925594935.db2.gz FVOCEUJMMVOGSE-CQSZACIVSA-N 1 3 264.417 1.996 50 0 CDAAHO Cc1nccn1C[C@@H](C)[N@H+]1CCCN(C(C)C)CC1 ZINC000821751102 925594937 /nfs/dbraw/zinc/59/49/37/925594937.db2.gz FVOCEUJMMVOGSE-CQSZACIVSA-N 1 3 264.417 1.996 50 0 CDAAHO CCOC(=O)[C@@H]1CC2(CCN(C)CC2)[N@@H+]2CCC[C@@H]12 ZINC000014987426 356403331 /nfs/dbraw/zinc/40/33/31/356403331.db2.gz IQJCIKOQCJLDKT-OLZOCXBDSA-N 1 3 266.385 1.498 50 0 CDAAHO CCOC(=O)[C@@H]1CC2(CCN(C)CC2)[N@H+]2CCC[C@@H]12 ZINC000014987426 356403335 /nfs/dbraw/zinc/40/33/35/356403335.db2.gz IQJCIKOQCJLDKT-OLZOCXBDSA-N 1 3 266.385 1.498 50 0 CDAAHO C[N@H+](CCC(F)(F)F)C[C@@H]1CCCN(CCO)C1 ZINC000067804123 357628510 /nfs/dbraw/zinc/62/85/10/357628510.db2.gz YTERNYBKHGNKLP-NSHDSACASA-N 1 3 268.323 1.575 50 0 CDAAHO C[N@@H+](CCC(F)(F)F)C[C@@H]1CCCN(CCO)C1 ZINC000067804123 357628517 /nfs/dbraw/zinc/62/85/17/357628517.db2.gz YTERNYBKHGNKLP-NSHDSACASA-N 1 3 268.323 1.575 50 0 CDAAHO CSCC[C@H](N)C(=O)N(C)CC[N@H+](C)C1CCCC1 ZINC000952984558 617243901 /nfs/dbraw/zinc/24/39/01/617243901.db2.gz XTQFDNUBFYPEEJ-ZDUSSCGKSA-N 1 3 287.473 1.400 50 0 CDAAHO CSCC[C@H](N)C(=O)N(C)CC[N@@H+](C)C1CCCC1 ZINC000952984558 617243902 /nfs/dbraw/zinc/24/39/02/617243902.db2.gz XTQFDNUBFYPEEJ-ZDUSSCGKSA-N 1 3 287.473 1.400 50 0 CDAAHO CC1(C)CC(NCCc2ncc[nH]2)CC(C)(C)[NH2+]1 ZINC000822293574 1161928032 /nfs/dbraw/zinc/92/80/32/1161928032.db2.gz POIRYTYCFXWEOM-UHFFFAOYSA-N 1 3 250.390 1.851 50 0 CDAAHO CO[C@H]1CN(C(C)C)C[C@@H]1NC1CC[NH+](CC(C)C)CC1 ZINC000824504755 925828612 /nfs/dbraw/zinc/82/86/12/925828612.db2.gz MIPCAXWMQJVAQE-IRXDYDNUSA-N 1 3 297.487 1.804 50 0 CDAAHO C[C@@H]1CN(C2CC[NH+](C[C@H]3CCN(C)C3)CC2)CCO1 ZINC000107532783 398152301 /nfs/dbraw/zinc/15/23/01/398152301.db2.gz DZWZLLBGFSDSOG-CABCVRRESA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@@H]1CN(C2CCN(C[C@H]3CC[N@H+](C)C3)CC2)CCO1 ZINC000107532783 398152303 /nfs/dbraw/zinc/15/23/03/398152303.db2.gz DZWZLLBGFSDSOG-CABCVRRESA-N 1 3 281.444 1.123 50 0 CDAAHO C[C@@H]1CN(C2CCN(C[C@H]3CC[N@@H+](C)C3)CC2)CCO1 ZINC000107532783 398152309 /nfs/dbraw/zinc/15/23/09/398152309.db2.gz DZWZLLBGFSDSOG-CABCVRRESA-N 1 3 281.444 1.123 50 0 CDAAHO C[N@H+](CCNC(=O)[C@H]1CCCN1C1CC1)C1CCCC1 ZINC000252500640 361851103 /nfs/dbraw/zinc/85/11/03/361851103.db2.gz SZQHPWUGPYIAOH-OAHLLOKOSA-N 1 3 279.428 1.604 50 0 CDAAHO C[N@@H+](CCNC(=O)[C@H]1CCCN1C1CC1)C1CCCC1 ZINC000252500640 361851104 /nfs/dbraw/zinc/85/11/04/361851104.db2.gz SZQHPWUGPYIAOH-OAHLLOKOSA-N 1 3 279.428 1.604 50 0 CDAAHO CCOC(=O)[C@@H]1CC2(CCN(C)CC2)[N@@H+]2CCC[C@H]12 ZINC000004342650 356028292 /nfs/dbraw/zinc/02/82/92/356028292.db2.gz IQJCIKOQCJLDKT-CHWSQXEVSA-N 1 3 266.385 1.498 50 0 CDAAHO CCOC(=O)[C@@H]1CC2(CCN(C)CC2)[N@H+]2CCC[C@H]12 ZINC000004342650 356028298 /nfs/dbraw/zinc/02/82/98/356028298.db2.gz IQJCIKOQCJLDKT-CHWSQXEVSA-N 1 3 266.385 1.498 50 0 CDAAHO C[C@@H]1CCCN(C(=O)C[C@@H](N)c2ccccc2)[C@H]1C[NH3+] ZINC000299739583 375200140 /nfs/dbraw/zinc/20/01/40/375200140.db2.gz QIBIWGANOSNCFI-YUELXQCFSA-N 1 3 275.396 1.662 50 0 CDAAHO C[N@@H+]1CC[C@H]2CN([C@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518929 277179421 /nfs/dbraw/zinc/17/94/21/277179421.db2.gz KVMLLYUFUXXAOG-UXLLHSPISA-N 1 3 299.418 1.675 50 0 CDAAHO C[N@H+]1CC[C@H]2CN([C@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518929 277179422 /nfs/dbraw/zinc/17/94/22/277179422.db2.gz KVMLLYUFUXXAOG-UXLLHSPISA-N 1 3 299.418 1.675 50 0 CDAAHO CN1CC[C@H]2C[N@@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518929 277179423 /nfs/dbraw/zinc/17/94/23/277179423.db2.gz KVMLLYUFUXXAOG-UXLLHSPISA-N 1 3 299.418 1.675 50 0 CDAAHO CN1CC[C@H]2C[N@H+]([C@H]3CCN(c4ccccc4)C3=O)C[C@H]2C1 ZINC000408518929 277179424 /nfs/dbraw/zinc/17/94/24/277179424.db2.gz KVMLLYUFUXXAOG-UXLLHSPISA-N 1 3 299.418 1.675 50 0 CDAAHO C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](CN)c2ccccc2)C1 ZINC000091392048 289370486 /nfs/dbraw/zinc/37/04/86/289370486.db2.gz KREYCRCOJQIIBC-GJZGRUSLSA-N 1 3 275.396 1.282 50 0 CDAAHO C[C@H](C[NH+]1CCCCCC1)N1CCCN(C)CC1 ZINC001506405625 975151808 /nfs/dbraw/zinc/15/18/08/975151808.db2.gz VSYVRPQTYKBJEK-OAHLLOKOSA-N 1 3 253.434 1.888 50 0 CDAAHO CN1C[C@H](c2noc(C3CC3)n2)C2(C1)CC[NH+](C)CC2 ZINC000097940991 342158758 /nfs/dbraw/zinc/15/87/58/342158758.db2.gz AQEUXLNUTKKJPI-GFCCVEGCSA-N 1 3 276.384 1.688 50 0 CDAAHO C[C@@H]1CC[C@@H](CO)CN1CCC[NH+]1CCCCC1 ZINC000097103394 342192074 /nfs/dbraw/zinc/19/20/74/342192074.db2.gz ZOCTYLFWRJDOBT-HUUCEWRRSA-N 1 3 254.418 1.955 50 0 CDAAHO O[C@@]1(C[NH2+]CCCSCc2ccco2)CCCNC1 ZINC000072479173 357839076 /nfs/dbraw/zinc/83/90/76/357839076.db2.gz WFUXDVYTHTXYFS-AWEZNQCLSA-N 1 3 284.425 1.607 50 0 CDAAHO O[C@@]1(CNCCCSCc2ccco2)CCC[NH2+]C1 ZINC000072479173 357839077 /nfs/dbraw/zinc/83/90/77/357839077.db2.gz WFUXDVYTHTXYFS-AWEZNQCLSA-N 1 3 284.425 1.607 50 0 CDAAHO C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](N)Cc2ccccc2)C1 ZINC000091391817 357602000 /nfs/dbraw/zinc/60/20/00/357602000.db2.gz HYDDFZUEMOQMGY-HUUCEWRRSA-N 1 3 275.396 1.109 50 0 CDAAHO Cc1nc(CC[NH2+]C[C@]2(O)CCCNC2)sc1C ZINC000072470225 360233332 /nfs/dbraw/zinc/23/33/32/360233332.db2.gz QNYLQNGJYMHZJY-ZDUSSCGKSA-N 1 3 269.414 1.007 50 0 CDAAHO CCCN1CCN(C2CC[NH+](C[C@H](O)CC)CC2)CC1 ZINC000095404860 374907436 /nfs/dbraw/zinc/90/74/36/374907436.db2.gz WNQFFEXAKAOSOX-MRXNPFEDSA-N 1 3 283.460 1.249 50 0 CDAAHO CSCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000299739105 375200315 /nfs/dbraw/zinc/20/03/15/375200315.db2.gz KNADUFWHLQENDX-UTUOFQBUSA-N 1 3 273.446 1.008 50 0 CDAAHO CSCC[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000299739105 375200320 /nfs/dbraw/zinc/20/03/20/375200320.db2.gz KNADUFWHLQENDX-UTUOFQBUSA-N 1 3 273.446 1.008 50 0 CDAAHO CSCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246024281 376356979 /nfs/dbraw/zinc/35/69/79/376356979.db2.gz VIRCTFGXDBXASD-HZSPNIEDSA-N 1 3 299.484 1.541 50 0 CDAAHO CSCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246024281 376356986 /nfs/dbraw/zinc/35/69/86/376356986.db2.gz VIRCTFGXDBXASD-HZSPNIEDSA-N 1 3 299.484 1.541 50 0 CDAAHO CC(C)CN1CCC([NH2+][C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000096491730 390527870 /nfs/dbraw/zinc/52/78/70/390527870.db2.gz VHRMETRVPBVNFD-GDBMZVCRSA-N 1 3 283.460 1.416 50 0 CDAAHO CCC[C@@]12CNC[C@@](CCC)(C[N@H+](CC)C1)[C@@H]2O ZINC000250221051 391522499 /nfs/dbraw/zinc/52/24/99/391522499.db2.gz WKQPIKSIYRSCAO-QKDCVEJESA-N 1 3 254.418 1.859 50 0 CDAAHO CCC[C@@]12CNC[C@@](CCC)(C[N@@H+](CC)C1)[C@@H]2O ZINC000250221051 391522502 /nfs/dbraw/zinc/52/25/02/391522502.db2.gz WKQPIKSIYRSCAO-QKDCVEJESA-N 1 3 254.418 1.859 50 0 CDAAHO CCCN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000039437996 735542572 /nfs/dbraw/zinc/54/25/72/735542572.db2.gz CNQXMKLWGIKOKQ-QGZVFWFLSA-N 1 3 297.487 1.638 50 0 CDAAHO Cc1cc(N2CCN(c3cc(C)[nH+]c(C)c3)CC2)nc(N)n1 ZINC000032553537 735081556 /nfs/dbraw/zinc/08/15/56/735081556.db2.gz VYDNAODBJUBDAG-UHFFFAOYSA-N 1 3 298.394 1.706 50 0 CDAAHO CCCN1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000299738948 357701018 /nfs/dbraw/zinc/70/10/18/357701018.db2.gz ISYQZVAYSSWJKE-QWHCGFSZSA-N 1 3 253.390 1.058 50 0 CDAAHO Oc1ccc(CCC[NH2+]C[C@]2(O)CCCNC2)cc1 ZINC000072469680 357837744 /nfs/dbraw/zinc/83/77/44/357837744.db2.gz XYDCEEYYWJUCOE-OAHLLOKOSA-N 1 3 264.369 1.029 50 0 CDAAHO Oc1ccc(CCCNC[C@]2(O)CCC[NH2+]C2)cc1 ZINC000072469680 357837749 /nfs/dbraw/zinc/83/77/49/357837749.db2.gz XYDCEEYYWJUCOE-OAHLLOKOSA-N 1 3 264.369 1.029 50 0 CDAAHO O=C([C@@H]1CCCN1CC1CC[NH2+]CC1)N1CCSCC1 ZINC000252509748 296019164 /nfs/dbraw/zinc/01/91/64/296019164.db2.gz YUUIEZRCQDSMRA-AWEZNQCLSA-N 1 3 297.468 1.026 50 0 CDAAHO OC[C@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCOC1 ZINC000097237595 375159066 /nfs/dbraw/zinc/15/90/66/375159066.db2.gz MRGQRPMHIAQTRD-IAGOWNOFSA-N 1 3 290.407 1.522 50 0 CDAAHO OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCOC1 ZINC000097237595 375159071 /nfs/dbraw/zinc/15/90/71/375159071.db2.gz MRGQRPMHIAQTRD-IAGOWNOFSA-N 1 3 290.407 1.522 50 0 CDAAHO c1ncn(CCNC2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000268868755 132080420 /nfs/dbraw/zinc/08/04/20/132080420.db2.gz XFQRATAMSLQCDW-UHFFFAOYSA-N 1 3 299.422 1.575 50 0 CDAAHO Cc1cc(N2CCC[N@H+](C[C@@H]3CCOC3)CC2)ccn1 ZINC000072161138 176329898 /nfs/dbraw/zinc/32/98/98/176329898.db2.gz ZUPAMLROIQTGSE-HNNXBMFYSA-N 1 3 275.396 1.939 50 0 CDAAHO Cc1cc(N2CCC[N@@H+](C[C@@H]3CCOC3)CC2)ccn1 ZINC000072161138 176329900 /nfs/dbraw/zinc/32/99/00/176329900.db2.gz ZUPAMLROIQTGSE-HNNXBMFYSA-N 1 3 275.396 1.939 50 0 CDAAHO CC(C)CN1CCC([NH2+]C2CCN(C)CC2)CC1 ZINC000084544262 277386085 /nfs/dbraw/zinc/38/60/85/277386085.db2.gz RSRUBCQPXLZSNE-UHFFFAOYSA-N 1 3 253.434 1.791 50 0 CDAAHO C[C@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCCCCC1 ZINC000095404174 539088046 /nfs/dbraw/zinc/08/80/46/539088046.db2.gz YQXMSUPDGINDGU-HZPDHXFCSA-N 1 3 293.455 1.948 50 0 CDAAHO C[C@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCCCCC1 ZINC000095404174 539088047 /nfs/dbraw/zinc/08/80/47/539088047.db2.gz YQXMSUPDGINDGU-HZPDHXFCSA-N 1 3 293.455 1.948 50 0 CDAAHO C[NH+]1CCC(C)(CNCc2cc3c(cn2)OCCO3)CC1 ZINC000585118268 362047887 /nfs/dbraw/zinc/04/78/87/362047887.db2.gz IOWFEFCQQQZBEW-UHFFFAOYSA-N 1 3 291.395 1.674 50 0 CDAAHO CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000036135343 356862132 /nfs/dbraw/zinc/86/21/32/356862132.db2.gz HHSHRDJOGQTWNB-BPUTZDHNSA-N 1 3 293.455 1.850 50 0 CDAAHO CN1CCCN([C@H]2CCSC2)CC12CC[NH2+]CC2 ZINC000426701770 360697409 /nfs/dbraw/zinc/69/74/09/360697409.db2.gz XWTTXPXOHIXGRA-ZDUSSCGKSA-N 1 3 269.458 1.252 50 0 CDAAHO C[C@H](C1CC1)N(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000089894159 366960193 /nfs/dbraw/zinc/96/01/93/366960193.db2.gz YBBNEOTZKKWECS-GFCCVEGCSA-N 1 3 279.428 1.460 50 0 CDAAHO [NH3+]C[C@@H]1CCC2(CCN(Cc3ccncc3)CC2)O1 ZINC000299796695 372769506 /nfs/dbraw/zinc/76/95/06/372769506.db2.gz NNRDPAMZOBUCSF-AWEZNQCLSA-N 1 3 261.369 1.554 50 0 CDAAHO CCCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092003846 391483069 /nfs/dbraw/zinc/48/30/69/391483069.db2.gz YFABSRYVUCTVHL-FRRDWIJNSA-N 1 3 253.390 1.199 50 0 CDAAHO CCCC[C@@H](N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092003846 391483072 /nfs/dbraw/zinc/48/30/72/391483072.db2.gz YFABSRYVUCTVHL-FRRDWIJNSA-N 1 3 253.390 1.199 50 0 CDAAHO CC[C@@H]1CCCCN1CC(=O)NCC1CC[NH+](C)CC1 ZINC000822718135 925647194 /nfs/dbraw/zinc/64/71/94/925647194.db2.gz OZDCEQMPELCORB-OAHLLOKOSA-N 1 3 281.444 1.709 50 0 CDAAHO C[C@H](CN(C)CCO)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001506428244 975162192 /nfs/dbraw/zinc/16/21/92/975162192.db2.gz YOUWQRQYCJJPOD-GFCCVEGCSA-N 1 3 271.449 1.198 50 0 CDAAHO COCCC[N@@H+]1CC[C@H](CNc2cc(C)nc(N)n2)C1 ZINC000091441418 180156857 /nfs/dbraw/zinc/15/68/57/180156857.db2.gz TUGAMXWRYFILPP-GFCCVEGCSA-N 1 3 279.388 1.138 50 0 CDAAHO COCCC[N@H+]1CC[C@H](CNc2cc(C)nc(N)n2)C1 ZINC000091441418 180156858 /nfs/dbraw/zinc/15/68/58/180156858.db2.gz TUGAMXWRYFILPP-GFCCVEGCSA-N 1 3 279.388 1.138 50 0 CDAAHO CCOC(=O)N1CCC([N@@H+]2CCCC[C@@H](N)C2)CC1 ZINC000082136933 482763586 /nfs/dbraw/zinc/76/35/86/482763586.db2.gz QEHOKQVYVNWBJP-GFCCVEGCSA-N 1 3 269.389 1.421 50 0 CDAAHO CCOC(=O)N1CCC([N@H+]2CCCC[C@@H](N)C2)CC1 ZINC000082136933 482763588 /nfs/dbraw/zinc/76/35/88/482763588.db2.gz QEHOKQVYVNWBJP-GFCCVEGCSA-N 1 3 269.389 1.421 50 0 CDAAHO CN(C)CCOc1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC000097732739 358795764 /nfs/dbraw/zinc/79/57/64/358795764.db2.gz ZMRCWMWGRPVXBI-MRXNPFEDSA-N 1 3 291.439 1.940 50 0 CDAAHO CC(C)C(=O)N1CCC([N@@H+]2C[C@@H]3CC[C@H]2CNC3)CC1 ZINC000426493101 360676189 /nfs/dbraw/zinc/67/61/89/360676189.db2.gz WQLOGTMSKBEGAF-HIFRSBDPSA-N 1 3 279.428 1.317 50 0 CDAAHO CC(C)C(=O)N1CCC([N@H+]2C[C@@H]3CC[C@H]2CNC3)CC1 ZINC000426493101 360676195 /nfs/dbraw/zinc/67/61/95/360676195.db2.gz WQLOGTMSKBEGAF-HIFRSBDPSA-N 1 3 279.428 1.317 50 0 CDAAHO CC(C)C[NH+]1CCC(NCC2(O)CCOCC2)CC1 ZINC000095421803 277386099 /nfs/dbraw/zinc/38/60/99/277386099.db2.gz XEOXCHFUFVSRCQ-UHFFFAOYSA-N 1 3 270.417 1.238 50 0 CDAAHO N[C@@H](CC(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000188650515 527329074 /nfs/dbraw/zinc/32/90/74/527329074.db2.gz KBSRYAOPMIXBHA-KRWDZBQOSA-N 1 3 295.386 1.996 50 0 CDAAHO c1c(CN2C[C@@H]3CC=CC[C@@H]3C2)nn2c1C[NH2+]CCC2 ZINC000072156679 745363428 /nfs/dbraw/zinc/36/34/28/745363428.db2.gz MJZXMDIEYOKELN-OKILXGFUSA-N 1 3 272.396 1.774 50 0 CDAAHO Cc1ccccc1OC1CN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC000244633523 361855503 /nfs/dbraw/zinc/85/55/03/361855503.db2.gz GEKIUNZJHQDKRI-AWEZNQCLSA-N 1 3 291.395 1.041 50 0 CDAAHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000299738704 375199797 /nfs/dbraw/zinc/19/97/97/375199797.db2.gz FLAVWGBEFKOFTB-FRRDWIJNSA-N 1 3 253.390 1.057 50 0 CDAAHO [NH3+][C@H]1[C@@H]2CC[C@H]1CN([C@H]1CCN(c3ccccc3)C1)C2 ZINC001506400442 975149215 /nfs/dbraw/zinc/14/92/15/975149215.db2.gz VGXKAHZYEKFHFU-HDEZJCGLSA-N 1 3 271.408 1.934 50 0 CDAAHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000299739484 356269900 /nfs/dbraw/zinc/26/99/00/356269900.db2.gz OXUJBQKWCJCSCJ-KFWWJZLASA-N 1 3 279.428 1.591 50 0 CDAAHO NCCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000066323403 357562139 /nfs/dbraw/zinc/56/21/39/357562139.db2.gz SRAHAKLADOCBPU-UHFFFAOYSA-N 1 3 291.395 1.726 50 0 CDAAHO c1nc2c(c(NCCN3CCCCCC3)n1)CC[NH2+]CC2 ZINC000072422704 357833500 /nfs/dbraw/zinc/83/35/00/357833500.db2.gz UJLUXFPFOFDMBX-UHFFFAOYSA-N 1 3 289.427 1.453 50 0 CDAAHO C[C@@H](CC1CC1)[NH2+]CCCN1CCCN(C)CC1 ZINC000095421924 374923541 /nfs/dbraw/zinc/92/35/41/374923541.db2.gz CCLGRLOVKWIEQL-AWEZNQCLSA-N 1 3 253.434 1.792 50 0 CDAAHO CCOC(=O)c1c(C)nc(C)cc1NCC[NH+](C)C ZINC000005033754 170058538 /nfs/dbraw/zinc/05/85/38/170058538.db2.gz PDKUZVXCYIGXIC-UHFFFAOYSA-N 1 3 265.357 1.849 50 0 CDAAHO Cc1cccc(CSCCCNC[C@]2(O)CC[NH2+]C2)c1 ZINC000077318858 177251885 /nfs/dbraw/zinc/25/18/85/177251885.db2.gz XIGCAFMYAUOIGE-MRXNPFEDSA-N 1 3 294.464 1.932 50 0 CDAAHO Oc1ccc(CCC[NH2+]C[C@@]2(O)CCCNC2)cc1 ZINC000072469683 357837568 /nfs/dbraw/zinc/83/75/68/357837568.db2.gz XYDCEEYYWJUCOE-HNNXBMFYSA-N 1 3 264.369 1.029 50 0 CDAAHO Oc1ccc(CCCNC[C@@]2(O)CCC[NH2+]C2)cc1 ZINC000072469683 357837573 /nfs/dbraw/zinc/83/75/73/357837573.db2.gz XYDCEEYYWJUCOE-HNNXBMFYSA-N 1 3 264.369 1.029 50 0 CDAAHO CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(Cl)cc1 ZINC000000001233 361266375 /nfs/dbraw/zinc/26/63/75/361266375.db2.gz QMNFFXRFOJIOKZ-UHFFFAOYSA-N 1 3 251.721 1.526 50 0 world CDAAHO COC[C@H](O)C[NH+]1CCC(NCc2ccccc2)CC1 ZINC000089800793 366936223 /nfs/dbraw/zinc/93/62/23/366936223.db2.gz UIVJVLFGLSPPQT-MRXNPFEDSA-N 1 3 278.396 1.248 50 0 CDAAHO CC(C)[NH+]1CCC(C(=O)N(C)CCN(C)C2CC2)CC1 ZINC000186732312 391530751 /nfs/dbraw/zinc/53/07/51/391530751.db2.gz BANOFBWPLRHXGW-UHFFFAOYSA-N 1 3 281.444 1.659 50 0 CDAAHO C[C@@H](C1CCN(Cc2cccnc2N)CC1)[NH+](C)C ZINC000077390741 177262227 /nfs/dbraw/zinc/26/22/27/177262227.db2.gz VPSUNOLKFNUUEK-LBPRGKRZSA-N 1 3 262.401 1.826 50 0 CDAAHO NC[C@@H]1C[NH2+]C[C@H]([C@@H]2CC[C@@H](C(F)(F)F)NC2)C1 ZINC000757218609 574909554 /nfs/dbraw/zinc/90/95/54/574909554.db2.gz VHILDOGCIBXCCO-DBIOUOCHSA-N 1 3 265.323 1.101 50 0 CDAAHO CCc1ccccc1CN1C[C@H](CO)[C@H](C[NH+](C)C)C1 ZINC000091305176 180131229 /nfs/dbraw/zinc/13/12/29/180131229.db2.gz MECCPLMRWKVNRY-IAGOWNOFSA-N 1 3 276.424 1.851 50 0 CDAAHO CC[N@@H+]1CCC[C@@H](CN2CCC(OCCOC)CC2)C1 ZINC000019114387 356475825 /nfs/dbraw/zinc/47/58/25/356475825.db2.gz WTKPPPMODPIDBS-OAHLLOKOSA-N 1 3 284.444 1.846 50 0 CDAAHO CC[N@H+]1CCC[C@@H](CN2CCC(OCCOC)CC2)C1 ZINC000019114387 356475827 /nfs/dbraw/zinc/47/58/27/356475827.db2.gz WTKPPPMODPIDBS-OAHLLOKOSA-N 1 3 284.444 1.846 50 0 CDAAHO CN1CCCN(Cc2cnc[nH]2)CC12CC[NH+](C)CC2 ZINC000067973914 357641432 /nfs/dbraw/zinc/64/14/32/357641432.db2.gz YNBNGUXLBIZIIS-UHFFFAOYSA-N 1 3 277.416 1.012 50 0 CDAAHO Cc1n[nH]c(C)c1CN1CCC2(CC[NH2+]C[C@@H]2CO)CC1 ZINC000097745222 358796691 /nfs/dbraw/zinc/79/66/91/358796691.db2.gz BFXOEGPCYXSQGC-CQSZACIVSA-N 1 3 292.427 1.211 50 0 CDAAHO C[C@@H](CCn1cccn1)[NH+]1CCC2(CC1)CNCCO2 ZINC000426479097 360674491 /nfs/dbraw/zinc/67/44/91/360674491.db2.gz YYEDJCQGLOUMQK-AWEZNQCLSA-N 1 3 278.400 1.116 50 0 CDAAHO CC(C)N1CCN(CCC[NH+]2CCC(C)(CO)CC2)CC1 ZINC000192798940 363995340 /nfs/dbraw/zinc/99/53/40/363995340.db2.gz CDMWAAKLVOYOCV-UHFFFAOYSA-N 1 3 297.487 1.497 50 0 CDAAHO C[C@@]1(C[NH3+])CCN(C(=O)c2cc3c(s2)CCNC3)C1 ZINC000662560370 413127569 /nfs/dbraw/zinc/12/75/69/413127569.db2.gz IQPFCGSQVKUIPK-AWEZNQCLSA-N 1 3 279.409 1.205 50 0 CDAAHO C(C[NH+]1CCCCC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000096455418 527481926 /nfs/dbraw/zinc/48/19/26/527481926.db2.gz RGIJKQAVPNXBET-MRXNPFEDSA-N 1 3 281.444 1.126 50 0 CDAAHO Cc1c[nH+]ccc1NCCNC(=O)CN1CCCC[C@H]1C ZINC000020255292 776964027 /nfs/dbraw/zinc/96/40/27/776964027.db2.gz KITJBJWMFSVESH-CQSZACIVSA-N 1 3 290.411 1.793 50 0 CDAAHO NCC(C[NH3+])NCc1c(Cl)oc2ccccc21 ZINC000864096798 779100473 /nfs/dbraw/zinc/10/04/73/779100473.db2.gz HYHAVFDOSXFKQN-UHFFFAOYSA-N 1 3 253.733 1.462 50 0 CDAAHO CC(C)N1CCCN(C(=O)[C@@](C)([NH3+])C2CC2)CC1 ZINC000095996131 539088271 /nfs/dbraw/zinc/08/82/71/539088271.db2.gz SJLWCXCJDQATFR-AWEZNQCLSA-N 1 3 253.390 1.057 50 0 CDAAHO COC[C@@H](C)[NH+]1CCC(CCC(=O)NCCN(C)C)CC1 ZINC000012053098 356286631 /nfs/dbraw/zinc/28/66/31/356286631.db2.gz QSMLXBKGGVTXMS-CQSZACIVSA-N 1 3 299.459 1.191 50 0 CDAAHO CN1CCC([NH2+]C2CCN(C(C)(C)C)CC2)CC1 ZINC000037786308 392619747 /nfs/dbraw/zinc/61/97/47/392619747.db2.gz NPOCGLZOKUPYTA-UHFFFAOYSA-N 1 3 253.434 1.933 50 0 CDAAHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000299745197 287273607 /nfs/dbraw/zinc/27/36/07/287273607.db2.gz WMBXMTMCVVIIKV-HUUCEWRRSA-N 1 3 293.455 1.851 50 0 CDAAHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CNC2CC2)C1 ZINC000299745197 287273610 /nfs/dbraw/zinc/27/36/10/287273610.db2.gz WMBXMTMCVVIIKV-HUUCEWRRSA-N 1 3 293.455 1.851 50 0 CDAAHO C[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)N1CCCCCC1 ZINC000095404173 539088011 /nfs/dbraw/zinc/08/80/11/539088011.db2.gz YQXMSUPDGINDGU-JKSUJKDBSA-N 1 3 293.455 1.948 50 0 CDAAHO C[C@@H](C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)N1CCCCCC1 ZINC000095404173 539088012 /nfs/dbraw/zinc/08/80/12/539088012.db2.gz YQXMSUPDGINDGU-JKSUJKDBSA-N 1 3 293.455 1.948 50 0 CDAAHO CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000037825971 359234120 /nfs/dbraw/zinc/23/41/20/359234120.db2.gz GZCHVOOUEOHLEA-GFCCVEGCSA-N 1 3 255.406 1.304 50 0 CDAAHO CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)N)CC1 ZINC000037825971 359234125 /nfs/dbraw/zinc/23/41/25/359234125.db2.gz GZCHVOOUEOHLEA-GFCCVEGCSA-N 1 3 255.406 1.304 50 0 CDAAHO C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@@H](C)N1 ZINC000299739349 375200019 /nfs/dbraw/zinc/20/00/19/375200019.db2.gz NNGBRDKTYSUVSJ-UMVBOHGHSA-N 1 3 275.396 1.675 50 0 CDAAHO N=C1NC(=[NH2+])N(c2ccccc2)[C@H](c2ccccc2)N1 ZINC000017039325 390221418 /nfs/dbraw/zinc/22/14/18/390221418.db2.gz GWOLNTNSXCWRKK-CYBMUJFWSA-N 1 3 265.320 1.835 50 0 CDAAHO Cc1ncc(CN2CCC([N@@H+](C)CCN(C)C)CC2)[nH]1 ZINC000215226024 390990085 /nfs/dbraw/zinc/99/00/85/390990085.db2.gz KSVLPENUWFUWFW-UHFFFAOYSA-N 1 3 279.432 1.176 50 0 CDAAHO Cc1ncc(CN2CCC([N@H+](C)CCN(C)C)CC2)[nH]1 ZINC000215226024 390990089 /nfs/dbraw/zinc/99/00/89/390990089.db2.gz KSVLPENUWFUWFW-UHFFFAOYSA-N 1 3 279.432 1.176 50 0 CDAAHO OC1(C[NH+]2CCCC2)CCN([C@H]2CCCOC2)CC1 ZINC000828605353 926148294 /nfs/dbraw/zinc/14/82/94/926148294.db2.gz PNXQWRYHXLSHRN-AWEZNQCLSA-N 1 3 268.401 1.088 50 0 CDAAHO CCCN1CCC([NH2+]C[C@H](O)c2ccncc2)CC1 ZINC000095985131 185055704 /nfs/dbraw/zinc/05/57/04/185055704.db2.gz MXUPRHXCXXCALZ-HNNXBMFYSA-N 1 3 263.385 1.579 50 0 CDAAHO COCCCN1CC[C@H](C[NH2+]C2CCSCC2)C1 ZINC000065529410 357548327 /nfs/dbraw/zinc/54/83/27/357548327.db2.gz UPWTZWOOIOSNAI-CYBMUJFWSA-N 1 3 272.458 1.830 50 0 CDAAHO Cc1nccn1CCC1CCN(C[C@]2(O)CC[NH2+]C2)CC1 ZINC000072410642 176398359 /nfs/dbraw/zinc/39/83/59/176398359.db2.gz IUFLSLKMBWXXJI-INIZCTEOSA-N 1 3 292.427 1.018 50 0 CDAAHO C[C@H]1CCC[N@H+](CCC(=O)N(C)CCN(C)C)C1 ZINC000020857486 786290542 /nfs/dbraw/zinc/29/05/42/786290542.db2.gz FDTRYRXEKBPODT-ZDUSSCGKSA-N 1 3 255.406 1.128 50 0 CDAAHO C[C@H]1CCC[N@@H+](CCC(=O)N(C)CCN(C)C)C1 ZINC000020857486 786290560 /nfs/dbraw/zinc/29/05/60/786290560.db2.gz FDTRYRXEKBPODT-ZDUSSCGKSA-N 1 3 255.406 1.128 50 0 CDAAHO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000016124110 356430809 /nfs/dbraw/zinc/43/08/09/356430809.db2.gz DUNDIGFYPOUEEK-ZDUSSCGKSA-N 1 3 297.443 1.975 50 0 CDAAHO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000016124110 356430812 /nfs/dbraw/zinc/43/08/12/356430812.db2.gz DUNDIGFYPOUEEK-ZDUSSCGKSA-N 1 3 297.443 1.975 50 0 CDAAHO CN(CCNC(=O)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000071372517 176138397 /nfs/dbraw/zinc/13/83/97/176138397.db2.gz BUZUNLFPRMWKDM-UHFFFAOYSA-N 1 3 275.396 1.234 50 0 CDAAHO [NH3+]C[C@@H]1CCN(Cc2ccccc2Cn2cccn2)C1 ZINC000067725969 789906042 /nfs/dbraw/zinc/90/60/42/789906042.db2.gz QQDLRMGIVLAACV-AWEZNQCLSA-N 1 3 270.380 1.712 50 0 CDAAHO Cc1cccc(CN2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102763068 185790213 /nfs/dbraw/zinc/79/02/13/185790213.db2.gz UNOYCYQOFPPTIG-PIIMJCKOSA-N 1 3 285.435 1.578 50 0 CDAAHO [NH3+]CCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071763280 357778884 /nfs/dbraw/zinc/77/88/84/357778884.db2.gz MLNRXEVXHAVJLK-CGTJXYLNSA-N 1 3 299.418 1.424 50 0 CDAAHO N[C@@H]1CC[N@H+](CCCCOCc2ccccc2)C[C@H]1O ZINC000082107026 358147051 /nfs/dbraw/zinc/14/70/51/358147051.db2.gz GVUGHIPGFNURCH-HZPDHXFCSA-N 1 3 278.396 1.377 50 0 CDAAHO N[C@@H]1CC[N@@H+](CCCCOCc2ccccc2)C[C@H]1O ZINC000082107026 358147053 /nfs/dbraw/zinc/14/70/53/358147053.db2.gz GVUGHIPGFNURCH-HZPDHXFCSA-N 1 3 278.396 1.377 50 0 CDAAHO CN(C)CC[P@](=O)(CC[NH+](C)C)c1ccccc1 ZINC000003105894 375541994 /nfs/dbraw/zinc/54/19/94/375541994.db2.gz HEMMLODBBQAMSB-UHFFFAOYSA-N 1 3 268.341 1.798 50 0 CDAAHO CN(C)CC[P@@](=O)(CC[NH+](C)C)c1ccccc1 ZINC000003105894 375542005 /nfs/dbraw/zinc/54/20/05/375542005.db2.gz HEMMLODBBQAMSB-UHFFFAOYSA-N 1 3 268.341 1.798 50 0 CDAAHO CCOC(=O)[C@H]1CC2(CCN(C)CC2)[N@@H+]2CCC[C@H]12 ZINC000004342651 390152602 /nfs/dbraw/zinc/15/26/02/390152602.db2.gz IQJCIKOQCJLDKT-QWHCGFSZSA-N 1 3 266.385 1.498 50 0 CDAAHO CCOC(=O)[C@H]1CC2(CCN(C)CC2)[N@H+]2CCC[C@H]12 ZINC000004342651 390152604 /nfs/dbraw/zinc/15/26/04/390152604.db2.gz IQJCIKOQCJLDKT-QWHCGFSZSA-N 1 3 266.385 1.498 50 0 CDAAHO CC(C)N1C[C@@H](C)[C@@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000095410390 391719998 /nfs/dbraw/zinc/71/99/98/391719998.db2.gz HOUMOIQGVSYEBN-FPCVCCKLSA-N 1 3 265.445 1.932 50 0 CDAAHO CC(C)N1C[C@@H](C)[C@@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000095410390 391720000 /nfs/dbraw/zinc/72/00/00/391720000.db2.gz HOUMOIQGVSYEBN-FPCVCCKLSA-N 1 3 265.445 1.932 50 0 CDAAHO Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037408371 173184561 /nfs/dbraw/zinc/18/45/61/173184561.db2.gz GIZRRICXDPWZOI-CYBMUJFWSA-N 1 3 262.401 1.611 50 0 CDAAHO NC[C@@H]1CC[C@H]([C@H]2CC[C@H](C(F)(F)F)NC2)[NH2+]C1 ZINC000757209911 577035799 /nfs/dbraw/zinc/03/57/99/577035799.db2.gz GPSDDLHWXJHUCF-UKKRHICBSA-N 1 3 265.323 1.244 50 0 CDAAHO C[C@@](O)(C[N@@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000402816582 940910531 /nfs/dbraw/zinc/91/05/31/940910531.db2.gz MUVZXKOEFIGQEJ-BBWFWOEESA-N 1 3 274.408 1.955 50 0 CDAAHO C[C@@](O)(C[N@H+]1C[C@@H]2CCC[C@]2(CN)C1)c1ccccc1 ZINC000402816582 940910533 /nfs/dbraw/zinc/91/05/33/940910533.db2.gz MUVZXKOEFIGQEJ-BBWFWOEESA-N 1 3 274.408 1.955 50 0 CDAAHO NCc1cn(CC2CC[NH+](Cc3ccccn3)CC2)nn1 ZINC000023338835 359094027 /nfs/dbraw/zinc/09/40/27/359094027.db2.gz ZIASYIHRCNCVEY-UHFFFAOYSA-N 1 3 286.383 1.044 50 0 CDAAHO CC[N@@H+]1CC[C@@H](c2nnc3n2CCN(CC(C)C)CC3)C1 ZINC000257187206 359529274 /nfs/dbraw/zinc/52/92/74/359529274.db2.gz ABKCPQZKXDBCLL-CQSZACIVSA-N 1 3 291.443 1.601 50 0 CDAAHO CC[N@H+]1CC[C@@H](c2nnc3n2CCN(CC(C)C)CC3)C1 ZINC000257187206 359529278 /nfs/dbraw/zinc/52/92/78/359529278.db2.gz ABKCPQZKXDBCLL-CQSZACIVSA-N 1 3 291.443 1.601 50 0 CDAAHO N[C@@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000262569269 283549548 /nfs/dbraw/zinc/54/95/48/283549548.db2.gz GBDOBAJGPYINKA-MCIONIFRSA-N 1 3 261.369 1.320 50 0 CDAAHO CN(C)C[C@@H]1CC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000095396853 374902589 /nfs/dbraw/zinc/90/25/89/374902589.db2.gz FDKWJESCJJZBQU-KBPBESRZSA-N 1 3 298.452 1.509 50 0 CDAAHO CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)COCc2cccs2)C1 ZINC000095396853 374902594 /nfs/dbraw/zinc/90/25/94/374902594.db2.gz FDKWJESCJJZBQU-KBPBESRZSA-N 1 3 298.452 1.509 50 0 CDAAHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000299738703 375200164 /nfs/dbraw/zinc/20/01/64/375200164.db2.gz FLAVWGBEFKOFTB-AGIUHOORSA-N 1 3 253.390 1.057 50 0 CDAAHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000240333296 376017161 /nfs/dbraw/zinc/01/71/61/376017161.db2.gz FCULVMSQGYSJCJ-QLFBSQMISA-N 1 3 295.427 1.728 50 0 CDAAHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000240333296 376017168 /nfs/dbraw/zinc/01/71/68/376017168.db2.gz FCULVMSQGYSJCJ-QLFBSQMISA-N 1 3 295.427 1.728 50 0 CDAAHO CCN1CC[C@H](NC(=O)CCC[NH+]2CCCCCC2)C1 ZINC000670473084 483082566 /nfs/dbraw/zinc/08/25/66/483082566.db2.gz BYAJQXHWYSQAIN-HNNXBMFYSA-N 1 3 281.444 1.853 50 0 CDAAHO C[C@H](Cn1ccnc1)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000426486108 812803327 /nfs/dbraw/zinc/80/33/27/812803327.db2.gz JHDYFXPWLZWMEL-OAHLLOKOSA-N 1 3 291.443 1.031 50 0 CDAAHO NCc1cn(C[C@@H]2CCC[N@H+](Cc3ccoc3)C2)nn1 ZINC000023153346 812808332 /nfs/dbraw/zinc/80/83/32/812808332.db2.gz CDTKNANCITWCKM-GFCCVEGCSA-N 1 3 275.356 1.242 50 0 CDAAHO NCc1cn(C[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)nn1 ZINC000023153346 812808333 /nfs/dbraw/zinc/80/83/33/812808333.db2.gz CDTKNANCITWCKM-GFCCVEGCSA-N 1 3 275.356 1.242 50 0 CDAAHO CN1CCC[C@H]1C(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000823783440 925732811 /nfs/dbraw/zinc/73/28/11/925732811.db2.gz UMXQSLWMIUGZIO-AWEZNQCLSA-N 1 3 297.468 1.120 50 0 CDAAHO CCC[C@H](N)C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000253369939 342416132 /nfs/dbraw/zinc/41/61/32/342416132.db2.gz KGWHZXJYGUFUSF-OCCSQVGLSA-N 1 3 267.417 1.589 50 0 CDAAHO CCC[C@H](N)C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000253369939 342416133 /nfs/dbraw/zinc/41/61/33/342416133.db2.gz KGWHZXJYGUFUSF-OCCSQVGLSA-N 1 3 267.417 1.589 50 0 CDAAHO COc1ccc(O)cc1CN1CCC2(C1)CC[NH2+]CC2 ZINC000067818095 357629072 /nfs/dbraw/zinc/62/90/72/357629072.db2.gz SNBIFVGGAPEQTA-UHFFFAOYSA-N 1 3 276.380 1.976 50 0 CDAAHO CCCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000299739027 375200423 /nfs/dbraw/zinc/20/04/23/375200423.db2.gz JPWSMXSUBOAJBG-CHWSQXEVSA-N 1 3 253.390 1.201 50 0 CDAAHO C[C@H](C1CCN(Cc2cccnc2N)CC1)[NH+](C)C ZINC000077390745 177262088 /nfs/dbraw/zinc/26/20/88/177262088.db2.gz VPSUNOLKFNUUEK-GFCCVEGCSA-N 1 3 262.401 1.826 50 0 CDAAHO CN1CCN(C)[C@@H](CNc2cc[nH+]c3ccccc23)C1 ZINC000225344492 277102211 /nfs/dbraw/zinc/10/22/11/277102211.db2.gz UJAGGMFMHAYPFX-ZDUSSCGKSA-N 1 3 270.380 1.893 50 0 CDAAHO CN(C)CC[N@H+](C)C1CCN(c2ccnc(CO)c2)CC1 ZINC000828837218 926194745 /nfs/dbraw/zinc/19/47/45/926194745.db2.gz IAMGACAHMGWJFA-UHFFFAOYSA-N 1 3 292.427 1.036 50 0 CDAAHO CN(C)CC[N@@H+](C)C1CCN(c2ccnc(CO)c2)CC1 ZINC000828837218 926194750 /nfs/dbraw/zinc/19/47/50/926194750.db2.gz IAMGACAHMGWJFA-UHFFFAOYSA-N 1 3 292.427 1.036 50 0 CDAAHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000097021392 185153901 /nfs/dbraw/zinc/15/39/01/185153901.db2.gz FCULVMSQGYSJCJ-RBSFLKMASA-N 1 3 295.427 1.728 50 0 CDAAHO CCOC(=O)N[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000097021392 185153902 /nfs/dbraw/zinc/15/39/02/185153902.db2.gz FCULVMSQGYSJCJ-RBSFLKMASA-N 1 3 295.427 1.728 50 0 CDAAHO CN1CCCN([C@H]2CCCSC2)CC12CC[NH2+]CC2 ZINC000426623361 391860113 /nfs/dbraw/zinc/86/01/13/391860113.db2.gz UEDHBESQMSRRBU-AWEZNQCLSA-N 1 3 283.485 1.642 50 0 CDAAHO CN1CCN(C[C@@H]2CCC[N@H+](Cc3ccoc3)C2)CC1 ZINC000952978266 616243358 /nfs/dbraw/zinc/24/33/58/616243358.db2.gz KVQXZAMDSFLPFI-HNNXBMFYSA-N 1 3 277.412 1.739 50 0 CDAAHO CN1CCN(C[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000952978266 616243359 /nfs/dbraw/zinc/24/33/59/616243359.db2.gz KVQXZAMDSFLPFI-HNNXBMFYSA-N 1 3 277.412 1.739 50 0 CDAAHO CCN1CCN(C2CCN(c3cc[nH+]cc3C)CC2)CC1 ZINC000823112746 925673834 /nfs/dbraw/zinc/67/38/34/925673834.db2.gz ARBKBBDIOODHAJ-UHFFFAOYSA-N 1 3 288.439 1.996 50 0 CDAAHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299739230 356268550 /nfs/dbraw/zinc/26/85/50/356268550.db2.gz MCROZEKQFHBRJV-IJEWVQPXSA-N 1 3 289.423 1.703 50 0 CDAAHO C[C@H](N)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000299739230 356268553 /nfs/dbraw/zinc/26/85/53/356268553.db2.gz MCROZEKQFHBRJV-IJEWVQPXSA-N 1 3 289.423 1.703 50 0 CDAAHO CC(C)(CN1CCC[C@H](O)CC1)C[NH+]1CCCC1 ZINC000828628881 926150829 /nfs/dbraw/zinc/15/08/29/926150829.db2.gz WFRZVBVAQZYQRE-AWEZNQCLSA-N 1 3 254.418 1.955 50 0 CDAAHO CC(C)(CN1CCCC1)C[N@@H+]1CCC[C@H](O)CC1 ZINC000828628881 926150835 /nfs/dbraw/zinc/15/08/35/926150835.db2.gz WFRZVBVAQZYQRE-AWEZNQCLSA-N 1 3 254.418 1.955 50 0 CDAAHO CC(C)(CN1CCCC1)C[N@H+]1CCC[C@H](O)CC1 ZINC000828628881 926150839 /nfs/dbraw/zinc/15/08/39/926150839.db2.gz WFRZVBVAQZYQRE-AWEZNQCLSA-N 1 3 254.418 1.955 50 0 CDAAHO CCC[C@H]1NC(=N)NC(=[NH2+])N1c1cccc(Cl)c1 ZINC000096026641 351475543 /nfs/dbraw/zinc/47/55/43/351475543.db2.gz JZSCQRCFXATNGX-JTQLQIEISA-N 1 3 265.748 1.916 50 0 CDAAHO C[NH+](C)C[C@H]1[C@@H]2CN(Cc3ccc(CO)o3)C[C@H]12 ZINC000102017425 358868275 /nfs/dbraw/zinc/86/82/75/358868275.db2.gz WBTSDKJHKKHWOW-ZSOGYDGISA-N 1 3 250.342 1.011 50 0 CDAAHO C[C@H](CO)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000089901541 366962252 /nfs/dbraw/zinc/96/22/52/366962252.db2.gz NXOAHIPOASISNC-CQSZACIVSA-N 1 3 291.439 1.687 50 0 CDAAHO C[C@H](CC1CC1)[NH2+]CCCN1CCCN(C)CC1 ZINC000095421925 374923067 /nfs/dbraw/zinc/92/30/67/374923067.db2.gz CCLGRLOVKWIEQL-CQSZACIVSA-N 1 3 253.434 1.792 50 0 CDAAHO C[N@H+](CCc1cn[nH]c1)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000067790577 377237678 /nfs/dbraw/zinc/23/76/78/377237678.db2.gz PEOVRKUYFQAZKB-HZPDHXFCSA-N 1 3 292.427 1.263 50 0 CDAAHO C[N@@H+](CCc1cn[nH]c1)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000067790577 377237682 /nfs/dbraw/zinc/23/76/82/377237682.db2.gz PEOVRKUYFQAZKB-HZPDHXFCSA-N 1 3 292.427 1.263 50 0 CDAAHO [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[C@H]2CN2CCCCC2)C1 ZINC000262245054 303462858 /nfs/dbraw/zinc/46/28/58/303462858.db2.gz CHBVKLNZILPMTA-XHSDSOJGSA-N 1 3 293.455 1.981 50 0 CDAAHO C[N@@H+]1CCC[C@H](N2CCN(CC3CCC3)CC2)C1 ZINC000078950023 342206152 /nfs/dbraw/zinc/20/61/52/342206152.db2.gz XSNTXNRKTXIXHL-HNNXBMFYSA-N 1 3 251.418 1.498 50 0 CDAAHO C[N@H+]1CCC[C@H](N2CCN(CC3CCC3)CC2)C1 ZINC000078950023 342206153 /nfs/dbraw/zinc/20/61/53/342206153.db2.gz XSNTXNRKTXIXHL-HNNXBMFYSA-N 1 3 251.418 1.498 50 0 CDAAHO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1Nc1cnn(CCN(C)C)c1 ZINC000097037676 358100684 /nfs/dbraw/zinc/10/06/84/358100684.db2.gz QSJBCARSVWVSQO-UMVBOHGHSA-N 1 3 279.432 1.585 50 0 CDAAHO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cnn(CCN(C)C)c1 ZINC000097037676 358100687 /nfs/dbraw/zinc/10/06/87/358100687.db2.gz QSJBCARSVWVSQO-UMVBOHGHSA-N 1 3 279.432 1.585 50 0 CDAAHO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000263233620 287273845 /nfs/dbraw/zinc/27/38/45/287273845.db2.gz CWUPRYNTXJDKPD-CHWSQXEVSA-N 1 3 253.390 1.058 50 0 CDAAHO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CN)C1 ZINC000263233620 287273846 /nfs/dbraw/zinc/27/38/46/287273846.db2.gz CWUPRYNTXJDKPD-CHWSQXEVSA-N 1 3 253.390 1.058 50 0 CDAAHO CC(C)(CN1CCCCC1)NC(=O)[C@H]1CCC[NH2+]CC1 ZINC000534647265 328342713 /nfs/dbraw/zinc/34/27/13/328342713.db2.gz REECXSFTGKYAHT-AWEZNQCLSA-N 1 3 281.444 1.757 50 0 CDAAHO OC1(C[NH+]2CCCC2)CCN(C[C@H]2CCCCO2)CC1 ZINC000828605314 926148301 /nfs/dbraw/zinc/14/83/01/926148301.db2.gz BXEIHILZFOPKEX-OAHLLOKOSA-N 1 3 282.428 1.478 50 0 CDAAHO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CN ZINC000299739975 356275376 /nfs/dbraw/zinc/27/53/76/356275376.db2.gz UIGOCNAEAOLZRH-DZGCQCFKSA-N 1 3 275.396 1.314 50 0 CDAAHO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)CN ZINC000299739975 356275377 /nfs/dbraw/zinc/27/53/77/356275377.db2.gz UIGOCNAEAOLZRH-DZGCQCFKSA-N 1 3 275.396 1.314 50 0 CDAAHO O[C@]1(CNC2CCN(c3ccccc3F)CC2)CC[NH2+]C1 ZINC000072423414 357890095 /nfs/dbraw/zinc/89/00/95/357890095.db2.gz GAHCFKULHYCJHG-MRXNPFEDSA-N 1 3 293.386 1.109 50 0 CDAAHO NC[C@@H]1C[NH2+]C[C@H]([C@@H]2CC[C@H](C(F)(F)F)NC2)C1 ZINC000757218610 574909799 /nfs/dbraw/zinc/90/97/99/574909799.db2.gz VHILDOGCIBXCCO-GWOFURMSSA-N 1 3 265.323 1.101 50 0 CDAAHO C[NH+](C)[C@H]1CCN(C(=O)CN2CCCCCC2)C1 ZINC000823662618 925719320 /nfs/dbraw/zinc/71/93/20/925719320.db2.gz DHWWLBGRRRCYNC-ZDUSSCGKSA-N 1 3 253.390 1.025 50 0 CDAAHO Cc1nn(C)c(C)c1CNCCC1CC[NH+](C)CC1 ZINC000105454604 186057968 /nfs/dbraw/zinc/05/79/68/186057968.db2.gz UTVFPUQXUOVHFV-UHFFFAOYSA-N 1 3 264.417 1.858 50 0 CDAAHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000195554596 358557821 /nfs/dbraw/zinc/55/78/21/358557821.db2.gz UUIVQKHBAVRWQA-UGQVUOCMSA-N 1 3 293.455 1.835 50 0 CDAAHO CC[C@H](C)[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000195554596 358557826 /nfs/dbraw/zinc/55/78/26/358557826.db2.gz UUIVQKHBAVRWQA-UGQVUOCMSA-N 1 3 293.455 1.835 50 0 CDAAHO C[N@@H+]1CCC2(C1)CCN(CC(C)(C)N1CCOCC1)CC2 ZINC000067833734 705945209 /nfs/dbraw/zinc/94/52/09/705945209.db2.gz YVSVBINCPLXMMN-UHFFFAOYSA-N 1 3 295.471 1.515 50 0 CDAAHO C[N@H+]1CCC2(C1)CCN(CC(C)(C)N1CCOCC1)CC2 ZINC000067833734 705945213 /nfs/dbraw/zinc/94/52/13/705945213.db2.gz YVSVBINCPLXMMN-UHFFFAOYSA-N 1 3 295.471 1.515 50 0 CDAAHO CC[C@H](C(=O)NC[C@H]1C[NH2+]Cc2ccccc21)N(C)C ZINC000952852327 910407800 /nfs/dbraw/zinc/40/78/00/910407800.db2.gz WAGIHBITGQITOL-UKRRQHHQSA-N 1 3 275.396 1.330 50 0 CDAAHO C1C[C@H](NC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000584903973 341994192 /nfs/dbraw/zinc/99/41/92/341994192.db2.gz HINZUWSLIYPDRA-ZDUSSCGKSA-N 1 3 270.442 1.725 50 0 CDAAHO CN1C[C@@H](c2noc(C3CC3)n2)C2(C1)CC[NH+](C)CC2 ZINC000097940992 342158781 /nfs/dbraw/zinc/15/87/81/342158781.db2.gz AQEUXLNUTKKJPI-LBPRGKRZSA-N 1 3 276.384 1.688 50 0 CDAAHO Cc1nccn1CCN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000244900246 358725133 /nfs/dbraw/zinc/72/51/33/358725133.db2.gz ZYNJXYQEOASMMI-HNNXBMFYSA-N 1 3 264.417 1.998 50 0 CDAAHO Cc1nccn1CCN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000244900246 358725138 /nfs/dbraw/zinc/72/51/38/358725138.db2.gz ZYNJXYQEOASMMI-HNNXBMFYSA-N 1 3 264.417 1.998 50 0 CDAAHO Cc1nccn1CC[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000244900246 358725142 /nfs/dbraw/zinc/72/51/42/358725142.db2.gz ZYNJXYQEOASMMI-HNNXBMFYSA-N 1 3 264.417 1.998 50 0 CDAAHO Cc1nccn1CC[N@H+](C)CC[C@@H]1CCCCN1C ZINC000244900246 358725145 /nfs/dbraw/zinc/72/51/45/358725145.db2.gz ZYNJXYQEOASMMI-HNNXBMFYSA-N 1 3 264.417 1.998 50 0 CDAAHO CCc1cccc(CC)c1N1C(=N)NC(=[NH2+])NC1(C)C ZINC000000071379 390134028 /nfs/dbraw/zinc/13/40/28/390134028.db2.gz MOTSUCXTDVBHLQ-UHFFFAOYSA-N 1 3 273.384 1.997 50 0 CDAAHO CCN(CC[NH+]1CCCCCC1)C(=O)C[C@@H]1CNCCO1 ZINC000055107415 390487299 /nfs/dbraw/zinc/48/72/99/390487299.db2.gz OPRHOWLTJSIPKS-OAHLLOKOSA-N 1 3 297.443 1.089 50 0 CDAAHO O[C@]1(C[NH2+]CCSCc2ccccc2)CCCNC1 ZINC000077517677 177277811 /nfs/dbraw/zinc/27/78/11/177277811.db2.gz LVKQKCLMDFSJNP-OAHLLOKOSA-N 1 3 280.437 1.624 50 0 CDAAHO c1ccc(CN2CCN(CC3CC[NH2+]CC3)CC2)cc1 ZINC000019861687 356511310 /nfs/dbraw/zinc/51/13/10/356511310.db2.gz WWKLYRBVTHFMIZ-UHFFFAOYSA-N 1 3 273.424 1.804 50 0 CDAAHO CC(C)CN1CCC([NH2+][C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000096491729 357515249 /nfs/dbraw/zinc/51/52/49/357515249.db2.gz VHRMETRVPBVNFD-GOEBONIOSA-N 1 3 283.460 1.416 50 0 CDAAHO O[C@@H]1C[NH2+]CC[C@H]1CNCc1c(F)cccc1Cl ZINC000072161032 176329992 /nfs/dbraw/zinc/32/99/92/176329992.db2.gz FVHCIGDKNSNFRC-TVQRCGJNSA-N 1 3 272.751 1.539 50 0 CDAAHO OCc1ccc(CN2CCC3(CC[NH2+]CC3)CC2)o1 ZINC000072172601 176333664 /nfs/dbraw/zinc/33/36/64/176333664.db2.gz ZMMPUXBMNOFYDO-UHFFFAOYSA-N 1 3 264.369 1.738 50 0 CDAAHO CC[C@H]1CCCCN1CC(=O)NCC1CC[NH+](C)CC1 ZINC000822718134 925647554 /nfs/dbraw/zinc/64/75/54/925647554.db2.gz OZDCEQMPELCORB-HNNXBMFYSA-N 1 3 281.444 1.709 50 0 CDAAHO C[NH+](C)[C@H]1CCCN(C(=O)C[C@H](N)c2ccccc2)C1 ZINC000091394228 180145494 /nfs/dbraw/zinc/14/54/94/180145494.db2.gz JFVQQBOBSJMSDM-GJZGRUSLSA-N 1 3 275.396 1.629 50 0 CDAAHO CC[C@H](O)[C@H]1CCCCN1C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000195530869 363456229 /nfs/dbraw/zinc/45/62/29/363456229.db2.gz VOJUROBBYILNPW-BBWFWOEESA-N 1 3 298.471 1.705 50 0 CDAAHO c1ccc(CN2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000019371848 356484037 /nfs/dbraw/zinc/48/40/37/356484037.db2.gz MDLTWIOGYBLZDN-UHFFFAOYSA-N 1 3 259.397 1.556 50 0 CDAAHO COc1ccc(SCC[NH2+]C[C@@]2(O)CCCNC2)cc1 ZINC000072454650 357837293 /nfs/dbraw/zinc/83/72/93/357837293.db2.gz RNEDAVXEPHKQQA-OAHLLOKOSA-N 1 3 296.436 1.491 50 0 CDAAHO CC[N@@H+]1CC[C@H](c2nnc3n2CCN(CC(C)C)CC3)C1 ZINC000257187205 359529028 /nfs/dbraw/zinc/52/90/28/359529028.db2.gz ABKCPQZKXDBCLL-AWEZNQCLSA-N 1 3 291.443 1.601 50 0 CDAAHO CC[N@H+]1CC[C@H](c2nnc3n2CCN(CC(C)C)CC3)C1 ZINC000257187205 359529035 /nfs/dbraw/zinc/52/90/35/359529035.db2.gz ABKCPQZKXDBCLL-AWEZNQCLSA-N 1 3 291.443 1.601 50 0 CDAAHO Cc1nc(CC[NH3+])cc(N(C)C[C@@]2(C)CCN(C)C2)n1 ZINC000067754559 359705835 /nfs/dbraw/zinc/70/58/35/359705835.db2.gz SDRLXPYHSXNDFN-HNNXBMFYSA-N 1 3 277.416 1.064 50 0 CDAAHO C[NH2+]CC1CCN(Cc2ccc3cc[nH]c3n2)CC1 ZINC000534640771 328336091 /nfs/dbraw/zinc/33/60/91/328336091.db2.gz AOVJIZPQHUYQMS-UHFFFAOYSA-N 1 3 258.369 1.994 50 0 CDAAHO c1cn(CCCN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000678884029 483210602 /nfs/dbraw/zinc/21/06/02/483210602.db2.gz DKEONWVUWXPZTA-UHFFFAOYSA-N 1 3 271.368 1.490 50 0 CDAAHO