smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C(=O)C1CC[NH+](C2CC2)CC1)C1CCN(CCn2cccn2)CC1 ZINC000194592271 178217034 /nfs/dbraw/zinc/21/70/34/178217034.db2.gz XLFWHTWUWISQES-UHFFFAOYSA-N 1 3 359.518 1.680 10 0 FDAEHO CC[N@H+](CCNC(=O)NC[C@H](O)CN1CCc2ccccc2C1)C1CC1 ZINC000102066537 172345975 /nfs/dbraw/zinc/34/59/75/172345975.db2.gz WDZHNUDRZPMHFJ-IBGZPJMESA-N 1 3 360.502 1.189 10 0 FDAEHO CC[N@@H+](CCNC(=O)NC[C@H](O)CN1CCc2ccccc2C1)C1CC1 ZINC000102066537 172345978 /nfs/dbraw/zinc/34/59/78/172345978.db2.gz WDZHNUDRZPMHFJ-IBGZPJMESA-N 1 3 360.502 1.189 10 0 FDAEHO Cc1ccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000177696854 174152275 /nfs/dbraw/zinc/15/22/75/174152275.db2.gz WJEWYBKNWPUDSK-INIZCTEOSA-N 1 3 374.485 1.181 10 0 FDAEHO CC(C)OCCN1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000176627074 258325276 /nfs/dbraw/zinc/32/52/76/258325276.db2.gz UNJIJLKNDXBXMR-FUHWJXTLSA-N 1 3 352.523 1.754 10 0 FDAEHO CC(C)OCCN1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000176627074 258325277 /nfs/dbraw/zinc/32/52/77/258325277.db2.gz UNJIJLKNDXBXMR-FUHWJXTLSA-N 1 3 352.523 1.754 10 0 FDAEHO CC(C)[NH+]1CCC(NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000049165975 522816940 /nfs/dbraw/zinc/81/69/40/522816940.db2.gz ZBWBTJUGNNQKPW-FQEVSTJZSA-N 1 3 374.529 1.578 10 0 FDAEHO C[C@@H](CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000105267443 525482039 /nfs/dbraw/zinc/48/20/39/525482039.db2.gz RSRBKUHECMJQCJ-KXBFYZLASA-N 1 3 360.502 1.188 10 0 FDAEHO C[C@@H](CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000105267443 525482043 /nfs/dbraw/zinc/48/20/43/525482043.db2.gz RSRBKUHECMJQCJ-KXBFYZLASA-N 1 3 360.502 1.188 10 0 FDAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184865735 536188232 /nfs/dbraw/zinc/18/82/32/536188232.db2.gz QKQDDAHGVVBUAU-WMZOPIPTSA-N 1 3 356.555 1.697 10 0 FDAEHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246435412 536952529 /nfs/dbraw/zinc/95/25/29/536952529.db2.gz VUIIZLIFRWMQMF-HOJAQTOUSA-N 1 3 358.530 1.649 10 0 FDAEHO C[C@H](C(=O)NCCc1cccs1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246770428 537023162 /nfs/dbraw/zinc/02/31/62/537023162.db2.gz ORUNVKFMPTVQBW-JKSUJKDBSA-N 1 3 367.559 1.820 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246784868 537025424 /nfs/dbraw/zinc/02/54/24/537025424.db2.gz AAJFBSBMPUIALM-KURKYZTESA-N 1 3 351.539 1.138 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246784868 537025427 /nfs/dbraw/zinc/02/54/27/537025427.db2.gz AAJFBSBMPUIALM-KURKYZTESA-N 1 3 351.539 1.138 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246784976 537026090 /nfs/dbraw/zinc/02/60/90/537026090.db2.gz AAJFBSBMPUIALM-KZNAEPCWSA-N 1 3 351.539 1.138 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246784976 537026094 /nfs/dbraw/zinc/02/60/94/537026094.db2.gz AAJFBSBMPUIALM-KZNAEPCWSA-N 1 3 351.539 1.138 10 0 FDAEHO CN(C(=O)C(C)(C)N1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388410087 537765739 /nfs/dbraw/zinc/76/57/39/537765739.db2.gz ONONBXDOWLXWCF-LJQANCHMSA-N 1 3 358.530 1.793 10 0 FDAEHO O=C(NC[C@H](O)CN1CCCCC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194443407 178211641 /nfs/dbraw/zinc/21/16/41/178211641.db2.gz FHEMJOUQCHMYJD-PMACEKPBSA-N 1 3 374.529 1.655 10 0 FDAEHO O=C(NC[C@H](O)CN1CCCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194443407 178211642 /nfs/dbraw/zinc/21/16/42/178211642.db2.gz FHEMJOUQCHMYJD-PMACEKPBSA-N 1 3 374.529 1.655 10 0 FDAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCn2ncnc21 ZINC000245886356 178387113 /nfs/dbraw/zinc/38/71/13/178387113.db2.gz LWPYEUGMQKIHIO-CVEARBPZSA-N 1 3 363.510 1.171 10 0 FDAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCn2ncnc21 ZINC000245886356 178387114 /nfs/dbraw/zinc/38/71/14/178387114.db2.gz LWPYEUGMQKIHIO-CVEARBPZSA-N 1 3 363.510 1.171 10 0 FDAEHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000112921734 524598396 /nfs/dbraw/zinc/59/83/96/524598396.db2.gz IZUXOHUFXBFYCV-ICSRJNTNSA-N 1 3 360.546 1.549 10 0 FDAEHO CCC(CC)[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[NH+]1CCCC1 ZINC000117029527 525269146 /nfs/dbraw/zinc/26/91/46/525269146.db2.gz IUGGRMGHSTXPLD-QZTJIDSGSA-N 1 3 354.539 1.859 10 0 FDAEHO C[C@H](CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1)[N@H+](C)C1CC1 ZINC000105267448 525482624 /nfs/dbraw/zinc/48/26/24/525482624.db2.gz RSRBKUHECMJQCJ-BEFAXECRSA-N 1 3 360.502 1.188 10 0 FDAEHO C[C@H](CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1)[N@@H+](C)C1CC1 ZINC000105267448 525482628 /nfs/dbraw/zinc/48/26/28/525482628.db2.gz RSRBKUHECMJQCJ-BEFAXECRSA-N 1 3 360.502 1.188 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000106125667 525621611 /nfs/dbraw/zinc/62/16/11/525621611.db2.gz QGCFUFFNFIEMTM-HOTGVXAUSA-N 1 3 365.493 1.855 10 0 FDAEHO CN(CC(=O)N(C)C1CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106126926 525622008 /nfs/dbraw/zinc/62/20/08/525622008.db2.gz QKOOGZWYCVGNON-FQEVSTJZSA-N 1 3 359.514 1.985 10 0 FDAEHO Cn1ccnc1CC1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000106162816 525645218 /nfs/dbraw/zinc/64/52/18/525645218.db2.gz NNAFMFTVDMESGC-UHFFFAOYSA-N 1 3 359.518 1.418 10 0 FDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000181751671 525917579 /nfs/dbraw/zinc/91/75/79/525917579.db2.gz ZGUXULKDVKIPLA-PMACEKPBSA-N 1 3 374.529 1.879 10 0 FDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000181751671 525917587 /nfs/dbraw/zinc/91/75/87/525917587.db2.gz ZGUXULKDVKIPLA-PMACEKPBSA-N 1 3 374.529 1.879 10 0 FDAEHO CCO[C@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCOCC2 ZINC000186243183 536229825 /nfs/dbraw/zinc/22/98/25/536229825.db2.gz JOPXXUFPQCPAEN-OALUTQOASA-N 1 3 353.551 1.968 10 0 FDAEHO C[C@H](C(=O)NCc1cccs1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246964820 537060135 /nfs/dbraw/zinc/06/01/35/537060135.db2.gz BSRQROSIVJKVAC-LSDHHAIUSA-N 1 3 353.532 1.777 10 0 FDAEHO CCN1CCC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000245890088 178387187 /nfs/dbraw/zinc/38/71/87/178387187.db2.gz JISWSWUKJHAWDD-HTUJPFKRSA-N 1 3 363.550 1.423 10 0 FDAEHO CCN1CCC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000245890088 178387191 /nfs/dbraw/zinc/38/71/91/178387191.db2.gz JISWSWUKJHAWDD-HTUJPFKRSA-N 1 3 363.550 1.423 10 0 FDAEHO COc1ccc(CN2CCC2)cc1OC[C@H](O)CN1CCC[N@H+](C)CC1 ZINC000108263667 206029864 /nfs/dbraw/zinc/02/98/64/206029864.db2.gz HZUXVNIQDJUHDL-GOSISDBHSA-N 1 3 363.502 1.278 10 0 FDAEHO CN1CCN([C@@H]2CCCCN(C(=O)NCCC3CC[NH+](C)CC3)C2)CC1 ZINC000091854792 172289202 /nfs/dbraw/zinc/28/92/02/172289202.db2.gz YXCZBXPCBXTFFO-LJQANCHMSA-N 1 3 365.566 1.530 10 0 FDAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@@H]3CO)CC2)CC1 ZINC000176020677 174045088 /nfs/dbraw/zinc/04/50/88/174045088.db2.gz NENHDRMICIXFII-QAPCUYQASA-N 1 3 352.523 1.395 10 0 FDAEHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000173505947 258301502 /nfs/dbraw/zinc/30/15/02/258301502.db2.gz UDGQMLMTNMPXHH-ZWKOTPCHSA-N 1 3 351.539 1.140 10 0 FDAEHO COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000333717431 259373505 /nfs/dbraw/zinc/37/35/05/259373505.db2.gz UARPCWVVIOWJEL-WDSOQIARSA-N 1 3 358.486 1.630 10 0 FDAEHO CC(C)[NH+]1CCC(C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CC1 ZINC000174862984 524767513 /nfs/dbraw/zinc/76/75/13/524767513.db2.gz JOCWLUCSTIYGSG-UHFFFAOYSA-N 1 3 373.545 1.912 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000179147922 525539021 /nfs/dbraw/zinc/53/90/21/525539021.db2.gz BSERSKFLVSGARS-LJQANCHMSA-N 1 3 366.550 1.861 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000179147922 525539026 /nfs/dbraw/zinc/53/90/26/525539026.db2.gz BSERSKFLVSGARS-LJQANCHMSA-N 1 3 366.550 1.861 10 0 FDAEHO C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000246521163 536972205 /nfs/dbraw/zinc/97/22/05/536972205.db2.gz KOQIMZYEMMTRHM-YZGWKJHDSA-N 1 3 374.529 1.795 10 0 FDAEHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248460989 537185402 /nfs/dbraw/zinc/18/54/02/537185402.db2.gz WZXVMCXULQEJCY-RBUKOAKNSA-N 1 3 358.486 1.243 10 0 FDAEHO O=C(NCc1ccccc1CN1CC[C@@H](O)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000248460989 537185404 /nfs/dbraw/zinc/18/54/04/537185404.db2.gz WZXVMCXULQEJCY-RBUKOAKNSA-N 1 3 358.486 1.243 10 0 FDAEHO CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)C[C@@H]2CCC[NH2+]C2)n1 ZINC000261814300 672676672 /nfs/dbraw/zinc/67/66/72/672676672.db2.gz QBVTYBWDHZGHOV-PMPSAXMXSA-N 1 3 350.486 1.391 10 0 FDAEHO CN(C)[C@@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)s2)C1 ZINC000170859975 258265294 /nfs/dbraw/zinc/26/52/94/258265294.db2.gz AHTUVUJQXGNDIT-ZIAGYGMSSA-N 1 3 364.515 1.300 10 0 FDAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000091846757 172289623 /nfs/dbraw/zinc/28/96/23/172289623.db2.gz OQFDFYTZFPUPQX-RTBURBONSA-N 1 3 367.582 1.774 10 0 FDAEHO CC1CC[NH+](CCNC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)CC1 ZINC000091845978 172290177 /nfs/dbraw/zinc/29/01/77/172290177.db2.gz ANJXSWAXYWDUNQ-IBGZPJMESA-N 1 3 365.566 1.530 10 0 FDAEHO CCN1CC[NH+](CCCCNC(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000105135038 172396984 /nfs/dbraw/zinc/39/69/84/172396984.db2.gz SGHISHXJSZHUDR-SFHVURJKSA-N 1 3 351.539 1.284 10 0 FDAEHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177685072 174151102 /nfs/dbraw/zinc/15/11/02/174151102.db2.gz QUDVZHIFJYLAHX-IBGZPJMESA-N 1 3 370.497 1.570 10 0 FDAEHO CN1CCC[C@@H]1CNC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174355200 524549148 /nfs/dbraw/zinc/54/91/48/524549148.db2.gz RRPZZHGFUAJSCX-UXHICEINSA-N 1 3 374.529 1.825 10 0 FDAEHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](Cc2ccccc2)N(C)C)CC1 ZINC000112921733 524597079 /nfs/dbraw/zinc/59/70/79/524597079.db2.gz IZUXOHUFXBFYCV-UYAOXDASSA-N 1 3 360.546 1.549 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000176486190 525126754 /nfs/dbraw/zinc/12/67/54/525126754.db2.gz CHLSBAIAOXISJI-GOSISDBHSA-N 1 3 352.523 1.756 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000130721952 525790367 /nfs/dbraw/zinc/79/03/67/525790367.db2.gz LIUKYJMKZAFTRS-ROUUACIJSA-N 1 3 354.539 1.500 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000130721952 525790372 /nfs/dbraw/zinc/79/03/72/525790372.db2.gz LIUKYJMKZAFTRS-ROUUACIJSA-N 1 3 354.539 1.500 10 0 FDAEHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171867238 526158329 /nfs/dbraw/zinc/15/83/29/526158329.db2.gz VFSVOKUBYXZAHM-HXUWFJFHSA-N 1 3 356.514 1.895 10 0 FDAEHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171867238 526158339 /nfs/dbraw/zinc/15/83/39/526158339.db2.gz VFSVOKUBYXZAHM-HXUWFJFHSA-N 1 3 356.514 1.895 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000184834089 536186978 /nfs/dbraw/zinc/18/69/78/536186978.db2.gz GBZKZFWWZCJFRV-IAGOWNOFSA-N 1 3 354.539 1.453 10 0 FDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)[C@@H](C)C1 ZINC000246925931 537051882 /nfs/dbraw/zinc/05/18/82/537051882.db2.gz BMANPPNVFMZIRF-BZSNNMDCSA-N 1 3 370.538 1.095 10 0 FDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)[C@@H](C)C1 ZINC000246925931 537051887 /nfs/dbraw/zinc/05/18/87/537051887.db2.gz BMANPPNVFMZIRF-BZSNNMDCSA-N 1 3 370.538 1.095 10 0 FDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000247247285 537100143 /nfs/dbraw/zinc/10/01/43/537100143.db2.gz PFINKHFQLFDQCZ-KSZLIROESA-N 1 3 352.523 1.613 10 0 FDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@@H](C)C1 ZINC000247247285 537100147 /nfs/dbraw/zinc/10/01/47/537100147.db2.gz PFINKHFQLFDQCZ-KSZLIROESA-N 1 3 352.523 1.613 10 0 FDAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190348161 537166438 /nfs/dbraw/zinc/16/64/38/537166438.db2.gz HEUHFJGKIHNFHA-ZWKOTPCHSA-N 1 3 358.486 1.772 10 0 FDAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190348161 537166440 /nfs/dbraw/zinc/16/64/40/537166440.db2.gz HEUHFJGKIHNFHA-ZWKOTPCHSA-N 1 3 358.486 1.772 10 0 FDAEHO CCN1CCC[C@H](Nc2cc(N[C@@H]3CCC[N@H+](CC)C3)nc3ncnn32)C1 ZINC000251662892 537246886 /nfs/dbraw/zinc/24/68/86/537246886.db2.gz ICKCWXYBELMQMR-CVEARBPZSA-N 1 3 372.521 1.917 10 0 FDAEHO CCN1CCC[C@H](Nc2cc(N[C@@H]3CCC[N@@H+](CC)C3)nc3ncnn32)C1 ZINC000251662892 537246888 /nfs/dbraw/zinc/24/68/88/537246888.db2.gz ICKCWXYBELMQMR-CVEARBPZSA-N 1 3 372.521 1.917 10 0 FDAEHO CN(C)CCNC(=O)[C@]1(Cc2cccc(-c3cncnc3)c2)CCC[NH2+]1 ZINC000616575243 555320021 /nfs/dbraw/zinc/32/00/21/555320021.db2.gz IORSBMVWGPDRFB-HXUWFJFHSA-N 1 3 353.470 1.486 10 0 FDAEHO C[C@H](O)CN1CCC(C[N@H+](C)CCCS(=O)(=O)c2ccccc2)CC1 ZINC000170941705 258265562 /nfs/dbraw/zinc/26/55/62/258265562.db2.gz HMHOJYPCUUJJLC-KRWDZBQOSA-N 1 3 368.543 1.875 10 0 FDAEHO C[C@H](O)CN1CCC(C[N@@H+](C)CCCS(=O)(=O)c2ccccc2)CC1 ZINC000170941705 258265563 /nfs/dbraw/zinc/26/55/63/258265563.db2.gz HMHOJYPCUUJJLC-KRWDZBQOSA-N 1 3 368.543 1.875 10 0 FDAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)CN1CCN(C)CC1 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RVRNFEZCKSUPMI-CQSZACIVSA-N 1 3 362.474 1.073 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000117027635 525270103 /nfs/dbraw/zinc/27/01/03/525270103.db2.gz CFJNEQISLZKVBC-IBGZPJMESA-N 1 3 360.502 1.754 10 0 FDAEHO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CCO1 ZINC000117026000 525270769 /nfs/dbraw/zinc/27/07/69/525270769.db2.gz AZTDMZGCHPPQSL-CVEARBPZSA-N 1 3 366.531 1.857 10 0 FDAEHO Cc1ccc(NC(=O)C(=O)N2CC[C@H](N(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000164423674 525504982 /nfs/dbraw/zinc/50/49/82/525504982.db2.gz PLOCDYZMGHAFPJ-HNNXBMFYSA-N 1 3 362.474 1.036 10 0 FDAEHO C[C@H](CN1CCCCC1)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184836441 536186712 /nfs/dbraw/zinc/18/67/12/536186712.db2.gz BDQZPNGSWHOPLC-SJORKVTESA-N 1 3 354.539 1.595 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000186271616 536230695 /nfs/dbraw/zinc/23/06/95/536230695.db2.gz IDLGISJSYPRHLI-WOJBJXKFSA-N 1 3 374.529 1.869 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000186271616 536230696 /nfs/dbraw/zinc/23/06/96/536230696.db2.gz IDLGISJSYPRHLI-WOJBJXKFSA-N 1 3 374.529 1.869 10 0 FDAEHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000190092388 537138705 /nfs/dbraw/zinc/13/87/05/537138705.db2.gz BBJQCQDAHFNVLO-DOTOQJQBSA-N 1 3 374.485 1.261 10 0 FDAEHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248457235 537184819 /nfs/dbraw/zinc/18/48/19/537184819.db2.gz OOMABDFCAITODW-KURKYZTESA-N 1 3 368.566 1.841 10 0 FDAEHO CCN1CCC[C@H](Nc2cc(N[C@H]3CCC[N@H+](CC)C3)nc3ncnn32)C1 ZINC000251662895 537246929 /nfs/dbraw/zinc/24/69/29/537246929.db2.gz ICKCWXYBELMQMR-HOTGVXAUSA-N 1 3 372.521 1.917 10 0 FDAEHO CCN1CCC[C@H](Nc2cc(N[C@H]3CCC[N@@H+](CC)C3)nc3ncnn32)C1 ZINC000251662895 537246930 /nfs/dbraw/zinc/24/69/30/537246930.db2.gz ICKCWXYBELMQMR-HOTGVXAUSA-N 1 3 372.521 1.917 10 0 FDAEHO CC[C@H](C)[C@@H](N)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000237039446 178293566 /nfs/dbraw/zinc/29/35/66/178293566.db2.gz HZZCVDGBTYIHGO-GOEBONIOSA-N 1 3 354.539 1.302 10 0 FDAEHO C[C@H](CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000091854874 172288963 /nfs/dbraw/zinc/28/89/63/172288963.db2.gz RTIPASHPRJZTCE-AEFFLSMTSA-N 1 3 351.539 1.281 10 0 FDAEHO C[C@H](CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000091854874 172288966 /nfs/dbraw/zinc/28/89/66/172288966.db2.gz RTIPASHPRJZTCE-AEFFLSMTSA-N 1 3 351.539 1.281 10 0 FDAEHO C[C@@H](CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000091854873 172289964 /nfs/dbraw/zinc/28/99/64/172289964.db2.gz RTIPASHPRJZTCE-WMZOPIPTSA-N 1 3 351.539 1.281 10 0 FDAEHO C[C@@H](CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000091854873 172289965 /nfs/dbraw/zinc/28/99/65/172289965.db2.gz RTIPASHPRJZTCE-WMZOPIPTSA-N 1 3 351.539 1.281 10 0 FDAEHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000179850423 258359043 /nfs/dbraw/zinc/35/90/43/258359043.db2.gz RSBDQNOZZCGCAH-LJQANCHMSA-N 1 3 370.497 1.570 10 0 FDAEHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000333708391 259372524 /nfs/dbraw/zinc/37/25/24/259372524.db2.gz RXHCCGCFWUFBJG-GDAAHCPNSA-N 1 3 358.486 1.486 10 0 FDAEHO CN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCN(CCn2cccn2)CC1 ZINC000109394513 526119830 /nfs/dbraw/zinc/11/98/30/526119830.db2.gz OSDDCBVHPCOSRK-KRWDZBQOSA-N 1 3 374.533 1.473 10 0 FDAEHO CN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCN(CCn2cccn2)CC1 ZINC000109394513 526119837 /nfs/dbraw/zinc/11/98/37/526119837.db2.gz OSDDCBVHPCOSRK-KRWDZBQOSA-N 1 3 374.533 1.473 10 0 FDAEHO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247810505 537151505 /nfs/dbraw/zinc/15/15/05/537151505.db2.gz UTPWRBNNEVKMKY-XWTMOSNGSA-N 1 3 353.551 1.904 10 0 FDAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248438315 537182276 /nfs/dbraw/zinc/18/22/76/537182276.db2.gz HUSXVZUAUZMNMQ-NSISKUIASA-N 1 3 372.513 1.631 10 0 FDAEHO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248438315 537182278 /nfs/dbraw/zinc/18/22/78/537182278.db2.gz HUSXVZUAUZMNMQ-NSISKUIASA-N 1 3 372.513 1.631 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000174233304 258321943 /nfs/dbraw/zinc/32/19/43/258321943.db2.gz JULSJRFGUYQXGD-GOSISDBHSA-N 1 3 365.566 1.720 10 0 FDAEHO Cc1cccc2nc(CN(C)CC3CC[NH+](C[C@H](C)O)CC3)cc(=O)n12 ZINC000329205533 259084184 /nfs/dbraw/zinc/08/41/84/259084184.db2.gz ZIRPLKNPQMIFCU-INIZCTEOSA-N 1 3 358.486 1.528 10 0 FDAEHO CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000141520729 524334675 /nfs/dbraw/zinc/33/46/75/524334675.db2.gz RSKCLSAHOMHLLP-IBGZPJMESA-N 1 3 362.518 1.784 10 0 FDAEHO CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](O)CN2CCCCC2)c1 ZINC000141520729 524334682 /nfs/dbraw/zinc/33/46/82/524334682.db2.gz RSKCLSAHOMHLLP-IBGZPJMESA-N 1 3 362.518 1.784 10 0 FDAEHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114477529 524818181 /nfs/dbraw/zinc/81/81/81/524818181.db2.gz VUIIZLIFRWMQMF-MISYRCLQSA-N 1 3 358.530 1.649 10 0 FDAEHO CN1CCC([NH+]2CCC(NC(=O)N3CCN4CCCC[C@@H]4C3)CC2)CC1 ZINC000105211148 525475203 /nfs/dbraw/zinc/47/52/03/525475203.db2.gz VNYHTFLZZGXXRB-LJQANCHMSA-N 1 3 363.550 1.425 10 0 FDAEHO Cc1nccn1CCCC[NH+]1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000120778543 526180808 /nfs/dbraw/zinc/18/08/08/526180808.db2.gz LMPSXFUHQRFNPW-FQEVSTJZSA-N 1 3 363.550 1.699 10 0 FDAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000248461913 537185193 /nfs/dbraw/zinc/18/51/93/537185193.db2.gz XXGBHHSVLCMSFI-NSISKUIASA-N 1 3 374.529 1.781 10 0 FDAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2CN2CC[C@@H](O)C2)C1 ZINC000248461913 537185194 /nfs/dbraw/zinc/18/51/94/537185194.db2.gz XXGBHHSVLCMSFI-NSISKUIASA-N 1 3 374.529 1.781 10 0 FDAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077570028 172129241 /nfs/dbraw/zinc/12/92/41/172129241.db2.gz RDHDJNDJOFEYMZ-FUHWJXTLSA-N 1 3 354.539 1.763 10 0 FDAEHO CN1CCN([C@H]2CCCCN(C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000091854934 172289327 /nfs/dbraw/zinc/28/93/27/172289327.db2.gz JPJRKOGLCOPAKT-IBGZPJMESA-N 1 3 365.566 1.672 10 0 FDAEHO CN1CCN([C@H]2CCCCN(C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000091854934 172289329 /nfs/dbraw/zinc/28/93/29/172289329.db2.gz JPJRKOGLCOPAKT-IBGZPJMESA-N 1 3 365.566 1.672 10 0 FDAEHO C[C@@H](CNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)C[NH+]1CCCC1 ZINC000091847084 172289714 /nfs/dbraw/zinc/28/97/14/172289714.db2.gz KLPJYPZIFQAUCL-RBUKOAKNSA-N 1 3 365.566 1.530 10 0 FDAEHO CN1CCN([C@H]2CCCCN(C(=O)NCCC[NH+]3CCCCC3)C2)CC1 ZINC000091844610 172289883 /nfs/dbraw/zinc/28/98/83/172289883.db2.gz BDNUVCMICAFHJX-IBGZPJMESA-N 1 3 365.566 1.674 10 0 FDAEHO Cc1nccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000175728333 174023931 /nfs/dbraw/zinc/02/39/31/174023931.db2.gz PLRBMRLPFWZAFB-SFHVURJKSA-N 1 3 362.522 1.392 10 0 FDAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000175812406 174029473 /nfs/dbraw/zinc/02/94/73/174029473.db2.gz LNJMDSIMADPWOH-GUDVDZBRSA-N 1 3 365.566 1.528 10 0 FDAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC000175812406 174029475 /nfs/dbraw/zinc/02/94/75/174029475.db2.gz LNJMDSIMADPWOH-GUDVDZBRSA-N 1 3 365.566 1.528 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000172117923 524121137 /nfs/dbraw/zinc/12/11/37/524121137.db2.gz JQPHVYRMEHMVHW-LJQANCHMSA-N 1 3 360.502 1.754 10 0 FDAEHO CCC[C@@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)N(C)C ZINC000137796607 524247366 /nfs/dbraw/zinc/24/73/66/524247366.db2.gz PQWYDWSJHHLJDP-KRWDZBQOSA-N 1 3 368.566 1.659 10 0 FDAEHO CN1CCC[C@H]1CNC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000174355218 524547966 /nfs/dbraw/zinc/54/79/66/524547966.db2.gz RRPZZHGFUAJSCX-PMACEKPBSA-N 1 3 374.529 1.825 10 0 FDAEHO CN(C)[C@H]1CCN(C(=O)CCCCCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000105600225 525518073 /nfs/dbraw/zinc/51/80/73/525518073.db2.gz XJPAZSGKOAYBKK-IRXDYDNUSA-N 1 3 352.523 1.262 10 0 FDAEHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181797157 525935871 /nfs/dbraw/zinc/93/58/71/525935871.db2.gz KWGWHWXLVJODMH-IEBWSBKVSA-N 1 3 368.566 1.985 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000184970785 536194540 /nfs/dbraw/zinc/19/45/40/536194540.db2.gz FRWLBHWSTCBAJT-QZTJIDSGSA-N 1 3 368.566 1.841 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000184970797 536194603 /nfs/dbraw/zinc/19/46/03/536194603.db2.gz FRWLBHWSTCBAJT-ROUUACIJSA-N 1 3 368.566 1.841 10 0 FDAEHO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H](CN(C)C)C2)cc1OC ZINC000247513255 537128261 /nfs/dbraw/zinc/12/82/61/537128261.db2.gz WBBXWVFXHGJLKT-DLBZAZTESA-N 1 3 352.475 1.465 10 0 FDAEHO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@@H](CN(C)C)C2)cc1OC ZINC000247513255 537128262 /nfs/dbraw/zinc/12/82/62/537128262.db2.gz WBBXWVFXHGJLKT-DLBZAZTESA-N 1 3 352.475 1.465 10 0 FDAEHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000248394566 537176342 /nfs/dbraw/zinc/17/63/42/537176342.db2.gz XZTAQLQOUVJSOF-SOLBZPMBSA-N 1 3 367.534 1.885 10 0 FDAEHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000248394566 537176343 /nfs/dbraw/zinc/17/63/43/537176343.db2.gz XZTAQLQOUVJSOF-SOLBZPMBSA-N 1 3 367.534 1.885 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000248494194 537187808 /nfs/dbraw/zinc/18/78/08/537187808.db2.gz PTZWEKVPBYFGNR-ZOBUZTSGSA-N 1 3 352.523 1.346 10 0 FDAEHO CCN1CCCC[C@H]1CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248508740 537189394 /nfs/dbraw/zinc/18/93/94/537189394.db2.gz YHTMAXCZVLUCGX-WMZOPIPTSA-N 1 3 354.539 1.595 10 0 FDAEHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000249115003 537230137 /nfs/dbraw/zinc/23/01/37/537230137.db2.gz BBJQCQDAHFNVLO-RDJZCZTQSA-N 1 3 374.485 1.261 10 0 FDAEHO CC1CC[NH+](CCCCNC(=O)NC[C@@H](O)CN2CCCCC2)CC1 ZINC000193476438 537248942 /nfs/dbraw/zinc/24/89/42/537248942.db2.gz ZLVLYWXTVXQEJJ-GOSISDBHSA-N 1 3 354.539 1.645 10 0 FDAEHO CC(C)[NH2+]Cc1cccc(OCCOc2nccnc2N2CCNCC2)c1 ZINC000001552803 132382211 /nfs/dbraw/zinc/38/22/11/132382211.db2.gz SGQNDQAVSJOBEL-UHFFFAOYSA-N 1 3 371.485 1.842 10 0 FDAEHO CCN1CCC[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000174233288 258321937 /nfs/dbraw/zinc/32/19/37/258321937.db2.gz JULSJRFGUYQXGD-SFHVURJKSA-N 1 3 365.566 1.720 10 0 FDAEHO C[C@@H]1CN(CCC2CCN(C(=O)NC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333473801 259351604 /nfs/dbraw/zinc/35/16/04/259351604.db2.gz BCYJHLHSPDEMGI-JFIYKMOQSA-N 1 3 352.523 1.517 10 0 FDAEHO COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)cc1 ZINC000333708393 259372550 /nfs/dbraw/zinc/37/25/50/259372550.db2.gz RXHCCGCFWUFBJG-WZGPROSRSA-N 1 3 358.486 1.486 10 0 FDAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3COc4ccccc43)CC2)CC1 ZINC000051300942 523007908 /nfs/dbraw/zinc/00/79/08/523007908.db2.gz XPGLGRXXGBIEKT-SFHVURJKSA-N 1 3 358.486 1.978 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000123229208 524706903 /nfs/dbraw/zinc/70/69/03/524706903.db2.gz UFEOOXPBHPROEM-SQNIBIBYSA-N 1 3 353.555 1.288 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000123229208 524706918 /nfs/dbraw/zinc/70/69/18/524706918.db2.gz UFEOOXPBHPROEM-SQNIBIBYSA-N 1 3 353.555 1.288 10 0 FDAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cc(C)cn1 ZINC000175039739 524849254 /nfs/dbraw/zinc/84/92/54/524849254.db2.gz BUKPAOWUJDTMRX-QGZVFWFLSA-N 1 3 350.511 1.249 10 0 FDAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)NCCn1cc(C)cn1 ZINC000175039739 524849262 /nfs/dbraw/zinc/84/92/62/524849262.db2.gz BUKPAOWUJDTMRX-QGZVFWFLSA-N 1 3 350.511 1.249 10 0 FDAEHO CCN1CCN(c2ccc(-c3nc([C@H]4C[NH2+]CCN4C)no3)cc2)CC1 ZINC000263262198 537003813 /nfs/dbraw/zinc/00/38/13/537003813.db2.gz RCMGOEDGLKLLEZ-QGZVFWFLSA-N 1 3 356.474 1.455 10 0 FDAEHO CCN1CCN(c2ccc(-c3nc([C@@H]4C[NH2+]CCN4C)no3)cc2)CC1 ZINC000263262197 537004105 /nfs/dbraw/zinc/00/41/05/537004105.db2.gz RCMGOEDGLKLLEZ-KRWDZBQOSA-N 1 3 356.474 1.455 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000247458861 537120944 /nfs/dbraw/zinc/12/09/44/537120944.db2.gz UFEOOXPBHPROEM-KZNAEPCWSA-N 1 3 353.555 1.288 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247458861 537120945 /nfs/dbraw/zinc/12/09/45/537120945.db2.gz UFEOOXPBHPROEM-KZNAEPCWSA-N 1 3 353.555 1.288 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000194453759 537283066 /nfs/dbraw/zinc/28/30/66/537283066.db2.gz UHSXEZYFPPDVRH-RTBURBONSA-N 1 3 360.502 1.481 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000194453759 537283069 /nfs/dbraw/zinc/28/30/69/537283069.db2.gz UHSXEZYFPPDVRH-RTBURBONSA-N 1 3 360.502 1.481 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000194453774 537283161 /nfs/dbraw/zinc/28/31/61/537283161.db2.gz UHSXEZYFPPDVRH-MOPGFXCFSA-N 1 3 360.502 1.481 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000194453774 537283164 /nfs/dbraw/zinc/28/31/64/537283164.db2.gz UHSXEZYFPPDVRH-MOPGFXCFSA-N 1 3 360.502 1.481 10 0 FDAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(CN2CCN(C)CC2)CC1 ZINC000192150279 178097086 /nfs/dbraw/zinc/09/70/86/178097086.db2.gz SCNUDNHGYPWFBO-KRWDZBQOSA-N 1 3 353.555 1.386 10 0 FDAEHO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000180128911 258362761 /nfs/dbraw/zinc/36/27/61/258362761.db2.gz CTRARORBVJNMKP-GOSISDBHSA-N 1 3 355.490 1.398 10 0 FDAEHO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000180128911 258362762 /nfs/dbraw/zinc/36/27/62/258362762.db2.gz CTRARORBVJNMKP-GOSISDBHSA-N 1 3 355.490 1.398 10 0 FDAEHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@@H](C)O1 ZINC000333701639 259371492 /nfs/dbraw/zinc/37/14/92/259371492.db2.gz QXHBXSGDGYWKKL-YFHUEUNASA-N 1 3 352.523 1.658 10 0 FDAEHO CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000111883507 524371640 /nfs/dbraw/zinc/37/16/40/524371640.db2.gz HVQWWLVZSCKGDU-PMACEKPBSA-N 1 3 374.529 1.579 10 0 FDAEHO CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000111883507 524371648 /nfs/dbraw/zinc/37/16/48/524371648.db2.gz HVQWWLVZSCKGDU-PMACEKPBSA-N 1 3 374.529 1.579 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000174233497 524531833 /nfs/dbraw/zinc/53/18/33/524531833.db2.gz IOYUVAKYBNSARE-QGZVFWFLSA-N 1 3 352.523 1.757 10 0 FDAEHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000176411154 525116917 /nfs/dbraw/zinc/11/69/17/525116917.db2.gz WSHZXGFTTSAUEP-ZWKOTPCHSA-N 1 3 353.555 1.386 10 0 FDAEHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000176411154 525116923 /nfs/dbraw/zinc/11/69/23/525116923.db2.gz WSHZXGFTTSAUEP-ZWKOTPCHSA-N 1 3 353.555 1.386 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000106125670 525621145 /nfs/dbraw/zinc/62/11/45/525621145.db2.gz QGCFUFFNFIEMTM-CVEARBPZSA-N 1 3 365.493 1.855 10 0 FDAEHO CCN1CCN(Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+](C)C)C2)CC1 ZINC000170829369 525727248 /nfs/dbraw/zinc/72/72/48/525727248.db2.gz JDXHQXLFLMNGMZ-HXUWFJFHSA-N 1 3 373.545 1.670 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000130721709 525791138 /nfs/dbraw/zinc/79/11/38/525791138.db2.gz LIUKYJMKZAFTRS-MSOLQXFVSA-N 1 3 354.539 1.500 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000130721709 525791143 /nfs/dbraw/zinc/79/11/43/525791143.db2.gz LIUKYJMKZAFTRS-MSOLQXFVSA-N 1 3 354.539 1.500 10 0 FDAEHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000171202935 525895521 /nfs/dbraw/zinc/89/55/21/525895521.db2.gz UNPOXOVUZSGIPV-IBGZPJMESA-N 1 3 362.518 1.919 10 0 FDAEHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000171202935 525895529 /nfs/dbraw/zinc/89/55/29/525895529.db2.gz UNPOXOVUZSGIPV-IBGZPJMESA-N 1 3 362.518 1.919 10 0 FDAEHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171867242 526158641 /nfs/dbraw/zinc/15/86/41/526158641.db2.gz VFSVOKUBYXZAHM-FQEVSTJZSA-N 1 3 356.514 1.895 10 0 FDAEHO O=C(CCCN1CCN(c2ccccc2)CC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171867242 526158653 /nfs/dbraw/zinc/15/86/53/526158653.db2.gz VFSVOKUBYXZAHM-FQEVSTJZSA-N 1 3 356.514 1.895 10 0 FDAEHO O=C(NCC1(N2CCSCC2)CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171901981 526174676 /nfs/dbraw/zinc/17/46/76/526174676.db2.gz KUZQXURJNNXNQF-MRXNPFEDSA-N 1 3 352.548 1.838 10 0 FDAEHO O=C(NCC1(N2CCSCC2)CCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171901981 526174682 /nfs/dbraw/zinc/17/46/82/526174682.db2.gz KUZQXURJNNXNQF-MRXNPFEDSA-N 1 3 352.548 1.838 10 0 FDAEHO C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182931994 535889805 /nfs/dbraw/zinc/88/98/05/535889805.db2.gz FDCKGDYCYISYRV-LNLFQRSKSA-N 1 3 366.550 1.785 10 0 FDAEHO C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182931994 535889810 /nfs/dbraw/zinc/88/98/10/535889810.db2.gz FDCKGDYCYISYRV-LNLFQRSKSA-N 1 3 366.550 1.785 10 0 FDAEHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000246829784 537035611 /nfs/dbraw/zinc/03/56/11/537035611.db2.gz XHBZPTPVERJKLK-RLLQIKCJSA-N 1 3 374.529 1.028 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000192801759 537233487 /nfs/dbraw/zinc/23/34/87/537233487.db2.gz WTJUVZHEQHTSLZ-KSZLIROESA-N 1 3 354.539 1.500 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000192801759 537233489 /nfs/dbraw/zinc/23/34/89/537233489.db2.gz WTJUVZHEQHTSLZ-KSZLIROESA-N 1 3 354.539 1.500 10 0 FDAEHO C[C@@H]1C[C@H](NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000130203274 173163224 /nfs/dbraw/zinc/16/32/24/173163224.db2.gz DKKVKCDMKVVNPY-BPAFIMBUSA-N 1 3 372.513 1.330 10 0 FDAEHO C[C@@H]1C[C@H](NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000130203274 173163226 /nfs/dbraw/zinc/16/32/26/173163226.db2.gz DKKVKCDMKVVNPY-BPAFIMBUSA-N 1 3 372.513 1.330 10 0 FDAEHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178630614 258330754 /nfs/dbraw/zinc/33/07/54/258330754.db2.gz PJKDEEDXWIXZNG-GHTZIAJQSA-N 1 3 370.541 1.936 10 0 FDAEHO C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000178630614 258330755 /nfs/dbraw/zinc/33/07/55/258330755.db2.gz PJKDEEDXWIXZNG-GHTZIAJQSA-N 1 3 370.541 1.936 10 0 FDAEHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@@H](C)O1 ZINC000333701637 259371540 /nfs/dbraw/zinc/37/15/40/259371540.db2.gz QXHBXSGDGYWKKL-XLMAVXFVSA-N 1 3 352.523 1.658 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000136844036 524216742 /nfs/dbraw/zinc/21/67/42/524216742.db2.gz SQQCXVASKUTODZ-OAHLLOKOSA-N 1 3 366.510 1.001 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000158007139 524382412 /nfs/dbraw/zinc/38/24/12/524382412.db2.gz LSTYDESPKIKHLR-ZWKOTPCHSA-N 1 3 353.555 1.432 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000158007139 524382409 /nfs/dbraw/zinc/38/24/09/524382409.db2.gz LSTYDESPKIKHLR-ZWKOTPCHSA-N 1 3 353.555 1.432 10 0 FDAEHO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000153667273 525282430 /nfs/dbraw/zinc/28/24/30/525282430.db2.gz YMMSJHSFCMCRGP-DOTOQJQBSA-N 1 3 361.490 1.400 10 0 FDAEHO C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000153667273 525282439 /nfs/dbraw/zinc/28/24/39/525282439.db2.gz YMMSJHSFCMCRGP-DOTOQJQBSA-N 1 3 361.490 1.400 10 0 FDAEHO CCC[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)N(C)C ZINC000164265344 525490865 /nfs/dbraw/zinc/49/08/65/525490865.db2.gz QMMWAWAFIVPSTN-GOSISDBHSA-N 1 3 366.550 1.557 10 0 FDAEHO C[NH+]1CCC(N2CCC(NC(=O)NC[C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000154331984 525498996 /nfs/dbraw/zinc/49/89/96/525498996.db2.gz VGBARMGOLLBYCI-YJBOKZPZSA-N 1 3 352.523 1.395 10 0 FDAEHO Cc1ccccc1CN1CCCN(C(=O)CN2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000171573157 526039397 /nfs/dbraw/zinc/03/93/97/526039397.db2.gz WIFIWYKMNRCWOD-OAQYLSRUSA-N 1 3 370.541 1.809 10 0 FDAEHO Cc1ccccc1CN1CCCN(C(=O)CN2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171573157 526039407 /nfs/dbraw/zinc/03/94/07/526039407.db2.gz WIFIWYKMNRCWOD-OAQYLSRUSA-N 1 3 370.541 1.809 10 0 FDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(CC)C2)[C@H](C)C1 ZINC000247286352 537103940 /nfs/dbraw/zinc/10/39/40/537103940.db2.gz STKUGSONVJYGCL-KURKYZTESA-N 1 3 354.539 1.907 10 0 FDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCCN(CC)C2)[C@H](C)C1 ZINC000247286352 537103941 /nfs/dbraw/zinc/10/39/41/537103941.db2.gz STKUGSONVJYGCL-KURKYZTESA-N 1 3 354.539 1.907 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000248457236 537184832 /nfs/dbraw/zinc/18/48/32/537184832.db2.gz OOMABDFCAITODW-SQNIBIBYSA-N 1 3 368.566 1.841 10 0 FDAEHO CC[C@@H]1CCCCN1CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248485781 537187316 /nfs/dbraw/zinc/18/73/16/537187316.db2.gz KWGWHWXLVJODMH-PKOBYXMFSA-N 1 3 368.566 1.985 10 0 FDAEHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@@H](c1ccccc1)N1CCCC1 ZINC000192798375 537233476 /nfs/dbraw/zinc/23/34/76/537233476.db2.gz YCTKFGGKGPYFQS-UXHICEINSA-N 1 3 374.529 1.970 10 0 FDAEHO CSCC[NH2+]Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1 ZINC000012580092 670614328 /nfs/dbraw/zinc/61/43/28/670614328.db2.gz WMXBKDDILVEELU-KRWDZBQOSA-N 1 3 354.516 1.336 10 0 FDAEHO CC(C)(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)N1CC[NH2+]CC1 ZINC000379662376 889766374 /nfs/dbraw/zinc/76/63/74/889766374.db2.gz IHUCRWNQJDVDRV-IBGZPJMESA-N 1 3 358.530 1.841 10 0 FDAEHO OC1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCCN3)cc2)CC1 ZINC000262033235 178660476 /nfs/dbraw/zinc/66/04/76/178660476.db2.gz XRKMYHNYWTZLRC-BHDDXSALSA-N 1 3 373.541 1.890 10 0 FDAEHO CN(C)C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000128232725 173104372 /nfs/dbraw/zinc/10/43/72/173104372.db2.gz POCIKNJISYDUBU-HXUWFJFHSA-N 1 3 360.546 1.979 10 0 FDAEHO CC(C)[N@H+]1C[C@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000135722764 173352157 /nfs/dbraw/zinc/35/21/57/173352157.db2.gz VGKPZXSBVITBAF-RDJZCZTQSA-N 1 3 363.506 1.550 10 0 FDAEHO CC(C)[N@@H+]1C[C@H](NC(=O)NCc2ccnc(OCCN(C)C)c2)[C@@H](C)C1 ZINC000135722764 173352159 /nfs/dbraw/zinc/35/21/59/173352159.db2.gz VGKPZXSBVITBAF-RDJZCZTQSA-N 1 3 363.506 1.550 10 0 FDAEHO CN(C)[C@@H]1CCN(C(=O)c2cccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2)C1 ZINC000181165804 174209468 /nfs/dbraw/zinc/20/94/68/174209468.db2.gz IXFBDWARODLTPT-QZTJIDSGSA-N 1 3 358.486 1.239 10 0 FDAEHO O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000179850437 258358789 /nfs/dbraw/zinc/35/87/89/258358789.db2.gz RSBDQNOZZCGCAH-IBGZPJMESA-N 1 3 370.497 1.570 10 0 FDAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000333527226 259356308 /nfs/dbraw/zinc/35/63/08/259356308.db2.gz HJRNQZXKLZLEKJ-LAVFITLUSA-N 1 3 352.523 1.643 10 0 FDAEHO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H](O)CN1CCCCC1 ZINC000049174715 522821845 /nfs/dbraw/zinc/82/18/45/522821845.db2.gz HVJSKJIZRDKBCZ-HXUWFJFHSA-N 1 3 374.529 1.928 10 0 FDAEHO C[NH+]1CCC(N2CCC(NC(=O)N3CCC(c4cc[nH]n4)CC3)CC2)CC1 ZINC000158200110 524420529 /nfs/dbraw/zinc/42/05/29/524420529.db2.gz BKYKHGYELAIYJB-UHFFFAOYSA-N 1 3 374.533 1.857 10 0 FDAEHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H](O)CN1CCCCC1 ZINC000161600466 525134477 /nfs/dbraw/zinc/13/44/77/525134477.db2.gz HHGIRLLEPLITEU-GOSISDBHSA-N 1 3 354.539 1.789 10 0 FDAEHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117030311 525269592 /nfs/dbraw/zinc/26/95/92/525269592.db2.gz JAVHMGKAGPTCTQ-IBGZPJMESA-N 1 3 362.518 1.999 10 0 FDAEHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000117030311 525269599 /nfs/dbraw/zinc/26/95/99/525269599.db2.gz JAVHMGKAGPTCTQ-IBGZPJMESA-N 1 3 362.518 1.999 10 0 FDAEHO CC(C)[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000117031433 525272815 /nfs/dbraw/zinc/27/28/15/525272815.db2.gz VWPNODAPOQOQKI-ZWKOTPCHSA-N 1 3 354.539 1.715 10 0 FDAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000108557046 525988274 /nfs/dbraw/zinc/98/82/74/525988274.db2.gz ZBKDLKFDIIPDGR-OALUTQOASA-N 1 3 367.582 1.774 10 0 FDAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000108557046 525988279 /nfs/dbraw/zinc/98/82/79/525988279.db2.gz ZBKDLKFDIIPDGR-OALUTQOASA-N 1 3 367.582 1.774 10 0 FDAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109398081 526122836 /nfs/dbraw/zinc/12/28/36/526122836.db2.gz ARCHWXMEDWZNMT-KRWDZBQOSA-N 1 3 364.538 1.719 10 0 FDAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109398081 526122846 /nfs/dbraw/zinc/12/28/46/526122846.db2.gz ARCHWXMEDWZNMT-KRWDZBQOSA-N 1 3 364.538 1.719 10 0 FDAEHO CN1CCN(Cc2ccc(CNC(=O)N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000171900376 526174951 /nfs/dbraw/zinc/17/49/51/526174951.db2.gz YPXNCXJPEBAMNQ-FQEVSTJZSA-N 1 3 371.529 1.424 10 0 FDAEHO CN1CCN(Cc2ccc(CNC(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000171900376 526174955 /nfs/dbraw/zinc/17/49/55/526174955.db2.gz YPXNCXJPEBAMNQ-FQEVSTJZSA-N 1 3 371.529 1.424 10 0 FDAEHO CCO[C@@H]1C[C@](N)(C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)C1(C)C ZINC000188188863 536285504 /nfs/dbraw/zinc/28/55/04/536285504.db2.gz BUCSCVXBSGZVGP-OGWOLHLISA-N 1 3 355.523 1.070 10 0 FDAEHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000192798361 537233514 /nfs/dbraw/zinc/23/35/14/537233514.db2.gz YCTKFGGKGPYFQS-WOJBJXKFSA-N 1 3 374.529 1.970 10 0 FDAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190838985 178027960 /nfs/dbraw/zinc/02/79/60/178027960.db2.gz RXKRJHVILZFKSN-OALUTQOASA-N 1 3 360.502 1.623 10 0 FDAEHO CCN1CCC[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000074496585 172081852 /nfs/dbraw/zinc/08/18/52/172081852.db2.gz NEDDHKQKJQQDID-MSOLQXFVSA-N 1 3 351.539 1.282 10 0 FDAEHO CCN1CCC[C@@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000074496585 172081854 /nfs/dbraw/zinc/08/18/54/172081854.db2.gz NEDDHKQKJQQDID-MSOLQXFVSA-N 1 3 351.539 1.282 10 0 FDAEHO C[C@@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)CN1CCN(C)CC1 ZINC000074656799 172084389 /nfs/dbraw/zinc/08/43/89/172084389.db2.gz QLUMXGLYLDRHIN-KRWDZBQOSA-N 1 3 351.539 1.140 10 0 FDAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117032740 172687105 /nfs/dbraw/zinc/68/71/05/172687105.db2.gz CNQOSTVULDLXDT-KZNAEPCWSA-N 1 3 354.539 1.717 10 0 FDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000173502142 258301144 /nfs/dbraw/zinc/30/11/44/258301144.db2.gz ARWIQOMEMYPAQB-WOJBJXKFSA-N 1 3 374.529 1.778 10 0 FDAEHO C[C@@H](NC[C@@H]1CN(C)CCO1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113439036 524685919 /nfs/dbraw/zinc/68/59/19/524685919.db2.gz AIMDMTVUFINLEQ-YLJYHZDGSA-N 1 3 374.529 1.076 10 0 FDAEHO CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H](O)CN2CCCCC2)CC1 ZINC000175772550 525004777 /nfs/dbraw/zinc/00/47/77/525004777.db2.gz BTDKIKASXUJCIT-LJQANCHMSA-N 1 3 368.566 1.891 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000176486204 525126977 /nfs/dbraw/zinc/12/69/77/525126977.db2.gz CHLSBAIAOXISJI-SFHVURJKSA-N 1 3 352.523 1.756 10 0 FDAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000108557053 525989040 /nfs/dbraw/zinc/98/90/40/525989040.db2.gz ZBKDLKFDIIPDGR-RBUKOAKNSA-N 1 3 367.582 1.774 10 0 FDAEHO CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000108557053 525989054 /nfs/dbraw/zinc/98/90/54/525989054.db2.gz ZBKDLKFDIIPDGR-RBUKOAKNSA-N 1 3 367.582 1.774 10 0 FDAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000246322699 536926909 /nfs/dbraw/zinc/92/69/09/536926909.db2.gz OBZDGTPMKZTGRW-KURKYZTESA-N 1 3 351.539 1.138 10 0 FDAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000246322699 536926912 /nfs/dbraw/zinc/92/69/12/536926912.db2.gz OBZDGTPMKZTGRW-KURKYZTESA-N 1 3 351.539 1.138 10 0 FDAEHO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000193873224 537256472 /nfs/dbraw/zinc/25/64/72/537256472.db2.gz VMFBFKVKPSQDBS-SJORKVTESA-N 1 3 354.539 1.643 10 0 FDAEHO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000193873224 537256473 /nfs/dbraw/zinc/25/64/73/537256473.db2.gz VMFBFKVKPSQDBS-SJORKVTESA-N 1 3 354.539 1.643 10 0 FDAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000245435096 537659629 /nfs/dbraw/zinc/65/96/29/537659629.db2.gz SFYWWDBYDQQXAA-RCCFBDPRSA-N 1 3 364.534 1.262 10 0 FDAEHO CCN1CCC[C@@H]1CN(C)C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@H+]2CC)C1 ZINC000245435096 537659634 /nfs/dbraw/zinc/65/96/34/537659634.db2.gz SFYWWDBYDQQXAA-RCCFBDPRSA-N 1 3 364.534 1.262 10 0 FDAEHO CC(C)CN1CCN(c2nc(CC[NH3+])nc3ccccc32)C[C@@H]1CCO ZINC000065525859 221230228 /nfs/dbraw/zinc/23/02/28/221230228.db2.gz ODKSSHGONRCWBF-INIZCTEOSA-N 1 3 357.502 1.660 10 0 FDAEHO CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000170843176 258265326 /nfs/dbraw/zinc/26/53/26/258265326.db2.gz FWTKUKGZVQRXLC-GOSISDBHSA-N 1 3 358.486 1.426 10 0 FDAEHO CN1CCC(NC(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000173382027 258297425 /nfs/dbraw/zinc/29/74/25/258297425.db2.gz WONQFRZILNQXPR-HXUWFJFHSA-N 1 3 374.529 1.825 10 0 FDAEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091846051 172289562 /nfs/dbraw/zinc/28/95/62/172289562.db2.gz XLOOQUDRWIXTDI-OALUTQOASA-N 1 3 365.566 1.672 10 0 FDAEHO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C(=O)C3(N)CC3)C2)cc1OC ZINC000072138853 522164060 /nfs/dbraw/zinc/16/40/60/522164060.db2.gz NFYGJIKZWMKPJB-MRXNPFEDSA-N 1 3 361.486 1.660 10 0 FDAEHO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C(=O)C3(N)CC3)C2)cc1OC ZINC000072138853 522164071 /nfs/dbraw/zinc/16/40/71/522164071.db2.gz NFYGJIKZWMKPJB-MRXNPFEDSA-N 1 3 361.486 1.660 10 0 FDAEHO COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@H](CN(C)C)C2)cc1OC ZINC000113513829 524692258 /nfs/dbraw/zinc/69/22/58/524692258.db2.gz WBBXWVFXHGJLKT-SJORKVTESA-N 1 3 352.475 1.465 10 0 FDAEHO COc1ccc(COC[C@@H](O)C[N@H+]2CC[C@H](CN(C)C)C2)cc1OC ZINC000113513829 524692268 /nfs/dbraw/zinc/69/22/68/524692268.db2.gz WBBXWVFXHGJLKT-SJORKVTESA-N 1 3 352.475 1.465 10 0 FDAEHO CN(C)Cc1ccc(N2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)nc1 ZINC000114582963 524834016 /nfs/dbraw/zinc/83/40/16/524834016.db2.gz HDFKJUVWPNKTRD-UHFFFAOYSA-N 1 3 360.506 1.069 10 0 FDAEHO CN(C)[C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000106913378 525823184 /nfs/dbraw/zinc/82/31/84/525823184.db2.gz RPHAWEYEAMBCCQ-NRFANRHFSA-N 1 3 372.557 1.834 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000184836410 536186654 /nfs/dbraw/zinc/18/66/54/536186654.db2.gz BDQZPNGSWHOPLC-IAGOWNOFSA-N 1 3 354.539 1.595 10 0 FDAEHO CN1CC[NH2+]C[C@H]1c1noc(-c2ccc(CN3CCSCC3)cc2)n1 ZINC000263294185 537010693 /nfs/dbraw/zinc/01/06/93/537010693.db2.gz WCFBIFFCHFQBQJ-INIZCTEOSA-N 1 3 359.499 1.862 10 0 FDAEHO Cn1cc([C@@H]2CCN(CCOCC[N@@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000247051971 537075498 /nfs/dbraw/zinc/07/54/98/537075498.db2.gz NNXTWBLXKHVFMQ-QZTJIDSGSA-N 1 3 372.517 1.449 10 0 FDAEHO Cn1cc([C@@H]2CCN(CCOCC[N@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000247051971 537075502 /nfs/dbraw/zinc/07/55/02/537075502.db2.gz NNXTWBLXKHVFMQ-QZTJIDSGSA-N 1 3 372.517 1.449 10 0 FDAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000249516682 537237200 /nfs/dbraw/zinc/23/72/00/537237200.db2.gz FYFSAEXKVNJQEA-GUDVDZBRSA-N 1 3 368.566 1.891 10 0 FDAEHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771421 558524831 /nfs/dbraw/zinc/52/48/31/558524831.db2.gz UTSSXKJEMVRDJB-ZJOUEHCJSA-N 1 3 357.498 1.783 10 0 FDAEHO O=S1(=O)CCCN1CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000362027397 676906536 /nfs/dbraw/zinc/90/65/36/676906536.db2.gz YITFGYOVVZNHFK-YQQQUEKLSA-N 1 3 363.527 1.807 10 0 FDAEHO CC(C)N1CCN(CCC[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000192734379 178129896 /nfs/dbraw/zinc/12/98/96/178129896.db2.gz OOVRDJRKIICOCC-IBGZPJMESA-N 1 3 360.550 1.793 10 0 FDAEHO CC(C)N1CCN(CCC[N@@H+](C)[C@H]2CCCN(c3cccnn3)C2)CC1 ZINC000192734379 178129898 /nfs/dbraw/zinc/12/98/98/178129898.db2.gz OOVRDJRKIICOCC-IBGZPJMESA-N 1 3 360.550 1.793 10 0 FDAEHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000091863564 172289261 /nfs/dbraw/zinc/28/92/61/172289261.db2.gz WWNOTBVRFGFMHH-AOIWGVFYSA-N 1 3 363.550 1.423 10 0 FDAEHO C[C@@H]1C[C@H](NC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000091863564 172289264 /nfs/dbraw/zinc/28/92/64/172289264.db2.gz WWNOTBVRFGFMHH-AOIWGVFYSA-N 1 3 363.550 1.423 10 0 FDAEHO C[NH+](C)CCCC1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000179704507 258356631 /nfs/dbraw/zinc/35/66/31/258356631.db2.gz LOGQBAFCYAFUDA-KRWDZBQOSA-N 1 3 373.497 1.697 10 0 FDAEHO Cc1c(-c2cc(CN(C)CC3CC[NH+](C[C@@H](C)O)CC3)on2)cnn1C ZINC000184521950 258382252 /nfs/dbraw/zinc/38/22/52/258382252.db2.gz XMRHFEFKMUGDMI-CQSZACIVSA-N 1 3 361.490 1.908 10 0 FDAEHO O=C(NC[C@H](O)CN1CCc2ccccc2C1)NC1CC[NH+](C2CC2)CC1 ZINC000049169662 522817781 /nfs/dbraw/zinc/81/77/81/522817781.db2.gz FCAIWRBOJAGPIX-FQEVSTJZSA-N 1 3 372.513 1.332 10 0 FDAEHO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000114834643 524883699 /nfs/dbraw/zinc/88/36/99/524883699.db2.gz STYQIHDJIBTCEH-UXHICEINSA-N 1 3 374.529 1.797 10 0 FDAEHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000176411125 525116415 /nfs/dbraw/zinc/11/64/15/525116415.db2.gz WSHZXGFTTSAUEP-ROUUACIJSA-N 1 3 353.555 1.386 10 0 FDAEHO CCN1CCN(C[C@@H](C)CNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000176411125 525116422 /nfs/dbraw/zinc/11/64/22/525116422.db2.gz WSHZXGFTTSAUEP-ROUUACIJSA-N 1 3 353.555 1.386 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000117045310 525277388 /nfs/dbraw/zinc/27/73/88/525277388.db2.gz MEDBXWGNTYZKGI-WOJBJXKFSA-N 1 3 374.529 1.523 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000117045310 525277399 /nfs/dbraw/zinc/27/73/99/525277399.db2.gz MEDBXWGNTYZKGI-WOJBJXKFSA-N 1 3 374.529 1.523 10 0 FDAEHO CN(CCN1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1)Cc1ccccc1 ZINC000181001854 525786870 /nfs/dbraw/zinc/78/68/70/525786870.db2.gz NUPXBICKFOUTEU-OAQYLSRUSA-N 1 3 358.530 1.795 10 0 FDAEHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182896437 535883879 /nfs/dbraw/zinc/88/38/79/535883879.db2.gz WZXVMCXULQEJCY-MOPGFXCFSA-N 1 3 358.486 1.243 10 0 FDAEHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000182896437 535883881 /nfs/dbraw/zinc/88/38/81/535883881.db2.gz WZXVMCXULQEJCY-MOPGFXCFSA-N 1 3 358.486 1.243 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000184834100 536186794 /nfs/dbraw/zinc/18/67/94/536186794.db2.gz GBZKZFWWZCJFRV-DLBZAZTESA-N 1 3 354.539 1.453 10 0 FDAEHO C[N@H+](CCCNC(=O)NC[C@H](O)CN1CCCCC1)Cc1ccccc1 ZINC000192801183 537233358 /nfs/dbraw/zinc/23/33/58/537233358.db2.gz ZHOHOKUYEXCPHX-IBGZPJMESA-N 1 3 362.518 1.655 10 0 FDAEHO C[N@@H+](CCCNC(=O)NC[C@H](O)CN1CCCCC1)Cc1ccccc1 ZINC000192801183 537233360 /nfs/dbraw/zinc/23/33/60/537233360.db2.gz ZHOHOKUYEXCPHX-IBGZPJMESA-N 1 3 362.518 1.655 10 0 FDAEHO CC(C)[NH+](CCNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)C(C)C ZINC000091843573 172290026 /nfs/dbraw/zinc/29/00/26/172290026.db2.gz MPSFNEPKXITYIK-LJQANCHMSA-N 1 3 367.582 1.917 10 0 FDAEHO C[C@@H]1CN(CCC2CCN(C(=O)NC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000333473803 259351591 /nfs/dbraw/zinc/35/15/91/259351591.db2.gz BCYJHLHSPDEMGI-NUJGCVRESA-N 1 3 352.523 1.517 10 0 FDAEHO C[N@H+](C[C@@H](O)COc1cccc(CNC(CO)CO)c1)C1CCCCC1 ZINC000012208050 518596940 /nfs/dbraw/zinc/59/69/40/518596940.db2.gz UNNPQEPSENSPCE-LJQANCHMSA-N 1 3 366.502 1.134 10 0 FDAEHO C[N@@H+](C[C@@H](O)COc1cccc(CNC(CO)CO)c1)C1CCCCC1 ZINC000012208050 518596947 /nfs/dbraw/zinc/59/69/47/518596947.db2.gz UNNPQEPSENSPCE-LJQANCHMSA-N 1 3 366.502 1.134 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccn(CCN(C)C)n2)CC1 ZINC000136843987 524216457 /nfs/dbraw/zinc/21/64/57/524216457.db2.gz SQQCXVASKUTODZ-HNNXBMFYSA-N 1 3 366.510 1.001 10 0 FDAEHO COC(=O)[C@@H]1CCCN(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)C1 ZINC000158198130 524421569 /nfs/dbraw/zinc/42/15/69/524421569.db2.gz NFHYIQUBKWLNCG-OAHLLOKOSA-N 1 3 366.506 1.140 10 0 FDAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000158951646 524561920 /nfs/dbraw/zinc/56/19/20/524561920.db2.gz QMXKEMFLLIOLJA-HKUYNNGSSA-N 1 3 351.535 1.946 10 0 FDAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000158951646 524561926 /nfs/dbraw/zinc/56/19/26/524561926.db2.gz QMXKEMFLLIOLJA-HKUYNNGSSA-N 1 3 351.535 1.946 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000114719808 524858829 /nfs/dbraw/zinc/85/88/29/524858829.db2.gz ORUNVKFMPTVQBW-CVEARBPZSA-N 1 3 367.559 1.820 10 0 FDAEHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000125553906 525212010 /nfs/dbraw/zinc/21/20/10/525212010.db2.gz RXJQSJSMPBGKDG-HZPDHXFCSA-N 1 3 364.490 1.272 10 0 FDAEHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(=O)c1ccco1 ZINC000125553906 525212012 /nfs/dbraw/zinc/21/20/12/525212012.db2.gz RXJQSJSMPBGKDG-HZPDHXFCSA-N 1 3 364.490 1.272 10 0 FDAEHO CCC[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)N(C)C ZINC000153848341 525341748 /nfs/dbraw/zinc/34/17/48/525341748.db2.gz FECRKFOVMUGGMQ-OALUTQOASA-N 1 3 374.529 1.730 10 0 FDAEHO CCC[C@@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)N(C)C ZINC000153848341 525341760 /nfs/dbraw/zinc/34/17/60/525341760.db2.gz FECRKFOVMUGGMQ-OALUTQOASA-N 1 3 374.529 1.730 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)Cc2cnc(N3CCOCC3)s2)CC1 ZINC000179515540 525595224 /nfs/dbraw/zinc/59/52/24/525595224.db2.gz UOAXUXAZOKAPSC-HNNXBMFYSA-N 1 3 368.547 1.504 10 0 FDAEHO CN(C)C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000171945543 526188949 /nfs/dbraw/zinc/18/89/49/526188949.db2.gz KNWOOGMPUQXWQH-FQEVSTJZSA-N 1 3 374.529 1.161 10 0 FDAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185170489 536201304 /nfs/dbraw/zinc/20/13/04/536201304.db2.gz ZFEZDNLQCQYTRQ-QGZVFWFLSA-N 1 3 355.571 1.678 10 0 FDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)[C@H](C)C1 ZINC000246925963 537052255 /nfs/dbraw/zinc/05/22/55/537052255.db2.gz BMANPPNVFMZIRF-SQNIBIBYSA-N 1 3 370.538 1.095 10 0 FDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@@H](CN(C)C)C2)[C@H](C)C1 ZINC000246925963 537052256 /nfs/dbraw/zinc/05/22/56/537052256.db2.gz BMANPPNVFMZIRF-SQNIBIBYSA-N 1 3 370.538 1.095 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)NCc2cccs2)CC1 ZINC000246962349 537058990 /nfs/dbraw/zinc/05/89/90/537058990.db2.gz BSRQROSIVJKVAC-HUUCEWRRSA-N 1 3 353.532 1.777 10 0 FDAEHO CC(C)[C@@H](CNC(=O)NC[C@H](O)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000192800548 537233197 /nfs/dbraw/zinc/23/31/97/537233197.db2.gz HOOLDJRJUUSBFB-RBUKOAKNSA-N 1 3 368.566 1.889 10 0 FDAEHO C[N@H+](CCCNC(=O)NC[C@@H](O)CN1CCCCC1)Cc1ccccc1 ZINC000192801197 537233306 /nfs/dbraw/zinc/23/33/06/537233306.db2.gz ZHOHOKUYEXCPHX-LJQANCHMSA-N 1 3 362.518 1.655 10 0 FDAEHO C[N@@H+](CCCNC(=O)NC[C@@H](O)CN1CCCCC1)Cc1ccccc1 ZINC000192801197 537233307 /nfs/dbraw/zinc/23/33/07/537233307.db2.gz ZHOHOKUYEXCPHX-LJQANCHMSA-N 1 3 362.518 1.655 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000245890757 178386861 /nfs/dbraw/zinc/38/68/61/178386861.db2.gz JISWSWUKJHAWDD-KAKFPZCNSA-N 1 3 363.550 1.423 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C1 ZINC000245890757 178386862 /nfs/dbraw/zinc/38/68/62/178386862.db2.gz JISWSWUKJHAWDD-KAKFPZCNSA-N 1 3 363.550 1.423 10 0 FDAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCn2ncnc21 ZINC000245886360 178386877 /nfs/dbraw/zinc/38/68/77/178386877.db2.gz LWPYEUGMQKIHIO-HOTGVXAUSA-N 1 3 363.510 1.171 10 0 FDAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)N[C@H]1CCCn2ncnc21 ZINC000245886360 178386879 /nfs/dbraw/zinc/38/68/79/178386879.db2.gz LWPYEUGMQKIHIO-HOTGVXAUSA-N 1 3 363.510 1.171 10 0 FDAEHO CC[NH+](CC)CCCNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091843423 172289237 /nfs/dbraw/zinc/28/92/37/172289237.db2.gz ILTSLRFMSQZHSV-SFHVURJKSA-N 1 3 353.555 1.530 10 0 FDAEHO CC(C)OCCN1CCC(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000176627060 258325130 /nfs/dbraw/zinc/32/51/30/258325130.db2.gz UNJIJLKNDXBXMR-SJLPKXTDSA-N 1 3 352.523 1.754 10 0 FDAEHO CC(C)OCCN1CCC(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000176627060 258325131 /nfs/dbraw/zinc/32/51/31/258325131.db2.gz UNJIJLKNDXBXMR-SJLPKXTDSA-N 1 3 352.523 1.754 10 0 FDAEHO COC(=O)N[C@@H](C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1)C(C)C ZINC000108263719 525943092 /nfs/dbraw/zinc/94/30/92/525943092.db2.gz JLISWWTZXOBBBE-MRXNPFEDSA-N 1 3 354.495 1.042 10 0 FDAEHO CN1CCC[C@H]1CNC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246405008 536945435 /nfs/dbraw/zinc/94/54/35/536945435.db2.gz RRPZZHGFUAJSCX-VQTJNVASSA-N 1 3 374.529 1.825 10 0 FDAEHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000247258263 537102178 /nfs/dbraw/zinc/10/21/78/537102178.db2.gz YHGSEAXWTREFQQ-ZACQAIPSSA-N 1 3 354.539 1.715 10 0 FDAEHO CN(C)[C@@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)s2)C1 ZINC000170859968 258265372 /nfs/dbraw/zinc/26/53/72/258265372.db2.gz AHTUVUJQXGNDIT-OKILXGFUSA-N 1 3 364.515 1.300 10 0 FDAEHO CN(C)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)s2)C1 ZINC000170859968 258265373 /nfs/dbraw/zinc/26/53/73/258265373.db2.gz AHTUVUJQXGNDIT-OKILXGFUSA-N 1 3 364.515 1.300 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000173505851 258301418 /nfs/dbraw/zinc/30/14/18/258301418.db2.gz AAJFBSBMPUIALM-SQNIBIBYSA-N 1 3 351.539 1.138 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000173505851 258301419 /nfs/dbraw/zinc/30/14/19/258301419.db2.gz AAJFBSBMPUIALM-SQNIBIBYSA-N 1 3 351.539 1.138 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000178609819 258329710 /nfs/dbraw/zinc/32/97/10/258329710.db2.gz TVNUGFKYZBVIIK-ROUUACIJSA-N 1 3 373.541 1.984 10 0 FDAEHO CCNC(=O)[C@@H]1C[C@H](NC2CC[NH+](CC)CC2)CN1Cc1ccccc1 ZINC000019837510 521744963 /nfs/dbraw/zinc/74/49/63/521744963.db2.gz ORZYCOYORQPZOK-PMACEKPBSA-N 1 3 358.530 1.840 10 0 FDAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3COc4ccccc43)CC2)CC1 ZINC000051300940 523007355 /nfs/dbraw/zinc/00/73/55/523007355.db2.gz XPGLGRXXGBIEKT-GOSISDBHSA-N 1 3 358.486 1.978 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000121156544 524168910 /nfs/dbraw/zinc/16/89/10/524168910.db2.gz GAZYGRHGGOSASL-RTBURBONSA-N 1 3 367.582 1.678 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000121156544 524168915 /nfs/dbraw/zinc/16/89/15/524168915.db2.gz GAZYGRHGGOSASL-RTBURBONSA-N 1 3 367.582 1.678 10 0 FDAEHO c1ncn([C@@H]2CCCN(CCCC[N@@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157909583 524364582 /nfs/dbraw/zinc/36/45/82/524364582.db2.gz FOSYWWXYGVOUDA-HDICACEKSA-N 1 3 358.494 1.624 10 0 FDAEHO c1ncn([C@@H]2CCCN(CCCC[N@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157909583 524364592 /nfs/dbraw/zinc/36/45/92/524364592.db2.gz FOSYWWXYGVOUDA-HDICACEKSA-N 1 3 358.494 1.624 10 0 FDAEHO c1ncn([C@@H]2CCC[N@@H+](CCCCN3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157909583 524364598 /nfs/dbraw/zinc/36/45/98/524364598.db2.gz FOSYWWXYGVOUDA-HDICACEKSA-N 1 3 358.494 1.624 10 0 FDAEHO c1ncn([C@@H]2CCC[N@H+](CCCCN3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157909583 524364607 /nfs/dbraw/zinc/36/46/07/524364607.db2.gz FOSYWWXYGVOUDA-HDICACEKSA-N 1 3 358.494 1.624 10 0 FDAEHO C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)CCO1 ZINC000117034544 525271566 /nfs/dbraw/zinc/27/15/66/525271566.db2.gz KWYWZCQMWALUBS-RBUKOAKNSA-N 1 3 360.502 1.623 10 0 FDAEHO CN1CCN(Cc2ccc(CNC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000170828754 525726876 /nfs/dbraw/zinc/72/68/76/525726876.db2.gz DSQLJUMLZOHMOQ-IBGZPJMESA-N 1 3 359.518 1.280 10 0 FDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000170829925 525727274 /nfs/dbraw/zinc/72/72/74/525727274.db2.gz GXJCROOQDZOXTK-HXUWFJFHSA-N 1 3 373.545 1.540 10 0 FDAEHO COc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2CN)cc1OC ZINC000584627958 551524890 /nfs/dbraw/zinc/52/48/90/551524890.db2.gz ZPKZBKPJCCNZOX-KRWDZBQOSA-N 1 3 360.454 1.735 10 0 FDAEHO O=C1c2ccccc2C(=O)N1C[C@@H](O)CN1CCC(C[NH+]2CCCC2)CC1 ZINC000193081231 178146218 /nfs/dbraw/zinc/14/62/18/178146218.db2.gz KDXRWKDRUDRPQV-KRWDZBQOSA-N 1 3 371.481 1.451 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000074659465 172085209 /nfs/dbraw/zinc/08/52/09/172085209.db2.gz IIDLZTNZZWXQPT-GOSISDBHSA-N 1 3 365.566 1.530 10 0 FDAEHO C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000091846062 172289802 /nfs/dbraw/zinc/28/98/02/172289802.db2.gz XLOOQUDRWIXTDI-RBUKOAKNSA-N 1 3 365.566 1.672 10 0 FDAEHO Cn1cc([C@H]2CCN(CCOCC[N@@H+]3CC[C@H](c4cnn(C)c4)C3)C2)cn1 ZINC000178703460 258332928 /nfs/dbraw/zinc/33/29/28/258332928.db2.gz NNXTWBLXKHVFMQ-ROUUACIJSA-N 1 3 372.517 1.449 10 0 FDAEHO Cn1cc([C@H]2CCN(CCOCC[N@H+]3CC[C@H](c4cnn(C)c4)C3)C2)cn1 ZINC000178703460 258332929 /nfs/dbraw/zinc/33/29/29/258332929.db2.gz NNXTWBLXKHVFMQ-ROUUACIJSA-N 1 3 372.517 1.449 10 0 FDAEHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000333717428 259374030 /nfs/dbraw/zinc/37/40/30/259374030.db2.gz UARPCWVVIOWJEL-NZSAHSFTSA-N 1 3 358.486 1.630 10 0 FDAEHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000183616807 536016046 /nfs/dbraw/zinc/01/60/46/536016046.db2.gz XZTAQLQOUVJSOF-XYJFISCASA-N 1 3 367.534 1.885 10 0 FDAEHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000183616807 536016052 /nfs/dbraw/zinc/01/60/52/536016052.db2.gz XZTAQLQOUVJSOF-XYJFISCASA-N 1 3 367.534 1.885 10 0 FDAEHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000248394565 537176803 /nfs/dbraw/zinc/17/68/03/537176803.db2.gz XZTAQLQOUVJSOF-RYRKJORJSA-N 1 3 367.534 1.885 10 0 FDAEHO CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000248394565 537176805 /nfs/dbraw/zinc/17/68/05/537176805.db2.gz XZTAQLQOUVJSOF-RYRKJORJSA-N 1 3 367.534 1.885 10 0 FDAEHO CCO[C@@H]1C[C@](N)(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1(C)C ZINC000249053207 537225963 /nfs/dbraw/zinc/22/59/63/537225963.db2.gz BUCSCVXBSGZVGP-GMBSWORKSA-N 1 3 355.523 1.070 10 0 FDAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000193476560 537249131 /nfs/dbraw/zinc/24/91/31/537249131.db2.gz FYFSAEXKVNJQEA-QRVBRYPASA-N 1 3 368.566 1.891 10 0 FDAEHO O=C(CCN(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCOCC1 ZINC000261703123 571015840 /nfs/dbraw/zinc/01/58/40/571015840.db2.gz IGCLTBUVXCGTCT-KRWDZBQOSA-N 1 3 363.527 1.941 10 0 FDAEHO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)C1 ZINC000091847591 172288910 /nfs/dbraw/zinc/28/89/10/172288910.db2.gz NJKMYHAAKYQUGX-OALUTQOASA-N 1 3 365.566 1.530 10 0 FDAEHO CCC[N@H+]1CC[C@@H](CNC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)C1 ZINC000091847591 172288911 /nfs/dbraw/zinc/28/89/11/172288911.db2.gz NJKMYHAAKYQUGX-OALUTQOASA-N 1 3 365.566 1.530 10 0 FDAEHO C[C@H](NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000091863576 172289467 /nfs/dbraw/zinc/28/94/67/172289467.db2.gz IRIWFCJOCMAQAL-ZWKOTPCHSA-N 1 3 367.582 1.774 10 0 FDAEHO C[C@@H](NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000091863580 172289992 /nfs/dbraw/zinc/28/99/92/172289992.db2.gz IRIWFCJOCMAQAL-QZTJIDSGSA-N 1 3 367.582 1.774 10 0 FDAEHO C[C@H](CCNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175632922 174016417 /nfs/dbraw/zinc/01/64/17/174016417.db2.gz LNFNBMNEZADDGL-MJGOQNOKSA-N 1 3 362.518 1.869 10 0 FDAEHO C[C@H](CCNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175632922 174016418 /nfs/dbraw/zinc/01/64/18/174016418.db2.gz LNFNBMNEZADDGL-MJGOQNOKSA-N 1 3 362.518 1.869 10 0 FDAEHO C[NH+](C)[C@H]1CCN(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)C1 ZINC000173502157 258301205 /nfs/dbraw/zinc/30/12/05/258301205.db2.gz ARWIQOMEMYPAQB-VQTJNVASSA-N 1 3 374.529 1.778 10 0 FDAEHO O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H](O)CN1CCCCC1 ZINC000049174713 522820538 /nfs/dbraw/zinc/82/05/38/522820538.db2.gz HVJSKJIZRDKBCZ-FQEVSTJZSA-N 1 3 374.529 1.928 10 0 FDAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117048912 525277724 /nfs/dbraw/zinc/27/77/24/525277724.db2.gz AUMQWLHNIDBJDN-IAGOWNOFSA-N 1 3 354.539 1.859 10 0 FDAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117048912 525277727 /nfs/dbraw/zinc/27/77/27/525277727.db2.gz AUMQWLHNIDBJDN-IAGOWNOFSA-N 1 3 354.539 1.859 10 0 FDAEHO CCN1CCCC[C@@H]1CNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181744082 525916293 /nfs/dbraw/zinc/91/62/93/525916293.db2.gz YHTMAXCZVLUCGX-SJLPKXTDSA-N 1 3 354.539 1.595 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000184776957 536182993 /nfs/dbraw/zinc/18/29/93/536182993.db2.gz AQNWMWZHQCMXEF-OAHLLOKOSA-N 1 3 352.523 1.347 10 0 FDAEHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCN1Cc1ccccc1 ZINC000246799468 537029720 /nfs/dbraw/zinc/02/97/20/537029720.db2.gz STYQIHDJIBTCEH-WOJBJXKFSA-N 1 3 374.529 1.797 10 0 FDAEHO C[N@H+](C[C@@H](O)Cn1cccn1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247875351 537155620 /nfs/dbraw/zinc/15/56/20/537155620.db2.gz YKZWUWRXTLAUIS-NHCUHLMSSA-N 1 3 372.513 1.621 10 0 FDAEHO C[N@@H+](C[C@@H](O)Cn1cccn1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000247875351 537155621 /nfs/dbraw/zinc/15/56/21/537155621.db2.gz YKZWUWRXTLAUIS-NHCUHLMSSA-N 1 3 372.513 1.621 10 0 FDAEHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000248461912 537185158 /nfs/dbraw/zinc/18/51/58/537185158.db2.gz XXGBHHSVLCMSFI-LSTHTHJFSA-N 1 3 374.529 1.781 10 0 FDAEHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCc2ccccc2CN2CC[C@H](O)C2)C1 ZINC000248461912 537185160 /nfs/dbraw/zinc/18/51/60/537185160.db2.gz XXGBHHSVLCMSFI-LSTHTHJFSA-N 1 3 374.529 1.781 10 0 FDAEHO CN(CCN1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000237137384 178298834 /nfs/dbraw/zinc/29/88/34/178298834.db2.gz UKMHBRSCRPUTQP-VQTJNVASSA-N 1 3 358.530 1.780 10 0 FDAEHO CC1CC[NH+](CCNC(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)CC1 ZINC000091845981 172289810 /nfs/dbraw/zinc/28/98/10/172289810.db2.gz ANJXSWAXYWDUNQ-LJQANCHMSA-N 1 3 365.566 1.530 10 0 FDAEHO CN1CCN([C@H]2CCCCN(C(=O)NCCC3CC[NH+](C)CC3)C2)CC1 ZINC000091854791 172290148 /nfs/dbraw/zinc/29/01/48/172290148.db2.gz YXCZBXPCBXTFFO-IBGZPJMESA-N 1 3 365.566 1.530 10 0 FDAEHO CC(C)N1CCN(CCC[NH+]2CCC(N(C)c3cccnn3)CC2)CC1 ZINC000191588053 258391740 /nfs/dbraw/zinc/39/17/40/258391740.db2.gz FWPQLXVNUMPKJE-UHFFFAOYSA-N 1 3 360.550 1.793 10 0 FDAEHO Cn1cc([C@@H]2CCN(C(=O)NC3CCN(C4CC[NH+](C)CC4)CC3)C2)cn1 ZINC000116429286 525150733 /nfs/dbraw/zinc/15/07/33/525150733.db2.gz JPEKMYUQDSWEPM-MRXNPFEDSA-N 1 3 374.533 1.478 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000117030792 525270293 /nfs/dbraw/zinc/27/02/93/525270293.db2.gz BMDFXNUBIUATNU-IBGZPJMESA-N 1 3 360.502 1.754 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000117030353 525270306 /nfs/dbraw/zinc/27/03/06/525270306.db2.gz AKYOUSWHJDZULL-GOSISDBHSA-N 1 3 364.490 1.099 10 0 FDAEHO CC(C)[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000117031423 525271907 /nfs/dbraw/zinc/27/19/07/525271907.db2.gz VWPNODAPOQOQKI-MSOLQXFVSA-N 1 3 354.539 1.715 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CCO1 ZINC000117040717 525275424 /nfs/dbraw/zinc/27/54/24/525275424.db2.gz CJYLZMNLYRYOGO-KRWDZBQOSA-N 1 3 364.490 1.099 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000106125734 525621734 /nfs/dbraw/zinc/62/17/34/525621734.db2.gz BSRQROSIVJKVAC-CABCVRRESA-N 1 3 353.532 1.777 10 0 FDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000170832223 525728986 /nfs/dbraw/zinc/72/89/86/525728986.db2.gz QFNCYVXTTBKWBQ-HXUWFJFHSA-N 1 3 373.545 1.934 10 0 FDAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000108557056 525989914 /nfs/dbraw/zinc/98/99/14/525989914.db2.gz ZBKDLKFDIIPDGR-RTBURBONSA-N 1 3 367.582 1.774 10 0 FDAEHO CC(C)C[C@H](CN(C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000108557056 525989922 /nfs/dbraw/zinc/98/99/22/525989922.db2.gz ZBKDLKFDIIPDGR-RTBURBONSA-N 1 3 367.582 1.774 10 0 FDAEHO CN1CCC[C@@H]1CNC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000246405012 536945918 /nfs/dbraw/zinc/94/59/18/536945918.db2.gz RRPZZHGFUAJSCX-WOJBJXKFSA-N 1 3 374.529 1.825 10 0 FDAEHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000190092373 537138499 /nfs/dbraw/zinc/13/84/99/537138499.db2.gz BBJQCQDAHFNVLO-NVXWUHKLSA-N 1 3 374.485 1.261 10 0 FDAEHO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247810507 537151784 /nfs/dbraw/zinc/15/17/84/537151784.db2.gz UTPWRBNNEVKMKY-ZJPYXAASSA-N 1 3 353.551 1.904 10 0 FDAEHO CCN1CCCC[C@@H]1CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248508739 537189338 /nfs/dbraw/zinc/18/93/38/537189338.db2.gz YHTMAXCZVLUCGX-FUHWJXTLSA-N 1 3 354.539 1.595 10 0 FDAEHO O[C@H]1C[NH2+]C[C@@H]1CNC1CCN(Cc2ccccc2Br)CC1 ZINC000262107200 672727286 /nfs/dbraw/zinc/72/72/86/672727286.db2.gz JTYBWYFVVYOTQM-PBHICJAKSA-N 1 3 368.319 1.583 10 0 FDAEHO CC(C)[NH+](CCNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)C(C)C ZINC000091843571 172289435 /nfs/dbraw/zinc/28/94/35/172289435.db2.gz MPSFNEPKXITYIK-IBGZPJMESA-N 1 3 367.582 1.917 10 0 FDAEHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)C1 ZINC000091847589 172289669 /nfs/dbraw/zinc/28/96/69/172289669.db2.gz NJKMYHAAKYQUGX-MOPGFXCFSA-N 1 3 365.566 1.530 10 0 FDAEHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)C1 ZINC000091847589 172289670 /nfs/dbraw/zinc/28/96/70/172289670.db2.gz NJKMYHAAKYQUGX-MOPGFXCFSA-N 1 3 365.566 1.530 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000172128416 173917323 /nfs/dbraw/zinc/91/73/23/173917323.db2.gz KMONGYBUQSNJIR-HXUWFJFHSA-N 1 3 374.529 1.871 10 0 FDAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@H]3CCCC[C@H]3CO)CC2)CC1 ZINC000176020704 174045058 /nfs/dbraw/zinc/04/50/58/174045058.db2.gz NENHDRMICIXFII-YJBOKZPZSA-N 1 3 352.523 1.395 10 0 FDAEHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1cc(C)cn1 ZINC000175039763 524848720 /nfs/dbraw/zinc/84/87/20/524848720.db2.gz BUKPAOWUJDTMRX-KRWDZBQOSA-N 1 3 350.511 1.249 10 0 FDAEHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)NCCn1cc(C)cn1 ZINC000175039763 524848728 /nfs/dbraw/zinc/84/87/28/524848728.db2.gz BUKPAOWUJDTMRX-KRWDZBQOSA-N 1 3 350.511 1.249 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000117045307 525277148 /nfs/dbraw/zinc/27/71/48/525277148.db2.gz MEDBXWGNTYZKGI-PMACEKPBSA-N 1 3 374.529 1.523 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000117045307 525277156 /nfs/dbraw/zinc/27/71/56/525277156.db2.gz MEDBXWGNTYZKGI-PMACEKPBSA-N 1 3 374.529 1.523 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)C2(C(=O)N[C@@H]3CCC[N@H+](CC)C3)CCC2)C1 ZINC000178146506 525388956 /nfs/dbraw/zinc/38/89/56/525388956.db2.gz SJTPPXPNWHJBJA-IAGOWNOFSA-N 1 3 364.534 1.358 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)C2(C(=O)N[C@@H]3CCC[N@@H+](CC)C3)CCC2)C1 ZINC000178146506 525388967 /nfs/dbraw/zinc/38/89/67/525388967.db2.gz SJTPPXPNWHJBJA-IAGOWNOFSA-N 1 3 364.534 1.358 10 0 FDAEHO Cc1ccc(NC(=O)C(=O)N2CC[C@@H](N(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000164423794 525506142 /nfs/dbraw/zinc/50/61/42/525506142.db2.gz PLOCDYZMGHAFPJ-OAHLLOKOSA-N 1 3 362.474 1.036 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000184776939 536182737 /nfs/dbraw/zinc/18/27/37/536182737.db2.gz AQNWMWZHQCMXEF-HNNXBMFYSA-N 1 3 352.523 1.347 10 0 FDAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000184865750 536188235 /nfs/dbraw/zinc/18/82/35/536188235.db2.gz QKQDDAHGVVBUAU-FUHWJXTLSA-N 1 3 356.555 1.697 10 0 FDAEHO C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393843 537176671 /nfs/dbraw/zinc/17/66/71/537176671.db2.gz FDCKGDYCYISYRV-YQVWRLOYSA-N 1 3 366.550 1.785 10 0 FDAEHO C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393843 537176674 /nfs/dbraw/zinc/17/66/74/537176674.db2.gz FDCKGDYCYISYRV-YQVWRLOYSA-N 1 3 366.550 1.785 10 0 FDAEHO C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000382745108 537757919 /nfs/dbraw/zinc/75/79/19/537757919.db2.gz RYPCFFAISILJIR-SFHVURJKSA-N 1 3 358.530 1.793 10 0 FDAEHO C[C@H]([NH2+]C1(CNC(=O)C2(N)CCOCC2)CCOCC1)c1ccccc1 ZINC000261845615 178631567 /nfs/dbraw/zinc/63/15/67/178631567.db2.gz LVWAYEWVMGBSJF-INIZCTEOSA-N 1 3 361.486 1.511 10 0 FDAEHO CN(C)[C@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000170859858 258265446 /nfs/dbraw/zinc/26/54/46/258265446.db2.gz DEOLNIRPWVVRMF-ROUUACIJSA-N 1 3 358.486 1.239 10 0 FDAEHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091846056 172289356 /nfs/dbraw/zinc/28/93/56/172289356.db2.gz XLOOQUDRWIXTDI-MOPGFXCFSA-N 1 3 365.566 1.672 10 0 FDAEHO CN1CCN([C@H]2CCCCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000091845069 172289557 /nfs/dbraw/zinc/28/95/57/172289557.db2.gz AGRAGFITPBYNKN-IBGZPJMESA-N 1 3 363.550 1.425 10 0 FDAEHO CN1CC[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179466579 258351412 /nfs/dbraw/zinc/35/14/12/258351412.db2.gz WFOPHNCNGOOXHV-FHWLQOOXSA-N 1 3 360.502 1.578 10 0 FDAEHO C[N@H+](CCN1CCN(C(=O)CN2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000159225527 524619478 /nfs/dbraw/zinc/61/94/78/524619478.db2.gz JDFSPKIAMJXEQM-UHFFFAOYSA-N 1 3 362.493 1.498 10 0 FDAEHO C[N@@H+](CCN1CCN(C(=O)CN2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000159225527 524619492 /nfs/dbraw/zinc/61/94/92/524619492.db2.gz JDFSPKIAMJXEQM-UHFFFAOYSA-N 1 3 362.493 1.498 10 0 FDAEHO CCC[C@@H](C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000152537236 524917914 /nfs/dbraw/zinc/91/79/14/524917914.db2.gz OAGUALCQNYYVKL-FQEVSTJZSA-N 1 3 360.546 1.993 10 0 FDAEHO CCC[C@@H](C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000152537236 524917922 /nfs/dbraw/zinc/91/79/22/524917922.db2.gz OAGUALCQNYYVKL-FQEVSTJZSA-N 1 3 360.546 1.993 10 0 FDAEHO CN1CCN(Cc2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000170828755 525725830 /nfs/dbraw/zinc/72/58/30/525725830.db2.gz DSQLJUMLZOHMOQ-LJQANCHMSA-N 1 3 359.518 1.280 10 0 FDAEHO CN(C)C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000171945539 526188726 /nfs/dbraw/zinc/18/87/26/526188726.db2.gz KNWOOGMPUQXWQH-HXUWFJFHSA-N 1 3 374.529 1.161 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)C1 ZINC000182601123 535831682 /nfs/dbraw/zinc/83/16/82/535831682.db2.gz PQGPXSHRQQLTQN-WOJBJXKFSA-N 1 3 374.529 1.927 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000182601123 535831685 /nfs/dbraw/zinc/83/16/85/535831685.db2.gz PQGPXSHRQQLTQN-WOJBJXKFSA-N 1 3 374.529 1.927 10 0 FDAEHO C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182861802 535878026 /nfs/dbraw/zinc/87/80/26/535878026.db2.gz BISYRELADHUSMW-XYJFISCASA-N 1 3 352.523 1.611 10 0 FDAEHO C[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182861802 535878033 /nfs/dbraw/zinc/87/80/33/535878033.db2.gz BISYRELADHUSMW-XYJFISCASA-N 1 3 352.523 1.611 10 0 FDAEHO O=C(NC[C@@H](O)CN1CCCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248716933 537208568 /nfs/dbraw/zinc/20/85/68/537208568.db2.gz FHEMJOUQCHMYJD-WOJBJXKFSA-N 1 3 374.529 1.655 10 0 FDAEHO O=C(NC[C@@H](O)CN1CCCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248716933 537208570 /nfs/dbraw/zinc/20/85/70/537208570.db2.gz FHEMJOUQCHMYJD-WOJBJXKFSA-N 1 3 374.529 1.655 10 0 FDAEHO CN1CCN(c2ncc(CN3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cn2)CC1 ZINC000261796300 537253167 /nfs/dbraw/zinc/25/31/67/537253167.db2.gz VLQLUMADSRSLMX-UXHICEINSA-N 1 3 366.513 1.403 10 0 FDAEHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190851811 178028716 /nfs/dbraw/zinc/02/87/16/178028716.db2.gz AWAVTGYZLCXDKU-WOJBJXKFSA-N 1 3 372.513 1.767 10 0 FDAEHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000190851811 178028717 /nfs/dbraw/zinc/02/87/17/178028717.db2.gz AWAVTGYZLCXDKU-WOJBJXKFSA-N 1 3 372.513 1.767 10 0 FDAEHO C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000246054810 178398236 /nfs/dbraw/zinc/39/82/36/178398236.db2.gz QMXKEMFLLIOLJA-PKOBYXMFSA-N 1 3 351.535 1.946 10 0 FDAEHO C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000246054810 178398238 /nfs/dbraw/zinc/39/82/38/178398238.db2.gz QMXKEMFLLIOLJA-PKOBYXMFSA-N 1 3 351.535 1.946 10 0 FDAEHO C[C@H](CCNC(=O)N1CCO[C@H](CN(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175632884 174016639 /nfs/dbraw/zinc/01/66/39/174016639.db2.gz LNFNBMNEZADDGL-IEBWSBKVSA-N 1 3 362.518 1.869 10 0 FDAEHO C[C@H](CCNC(=O)N1CCO[C@H](CN(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175632884 174016642 /nfs/dbraw/zinc/01/66/42/174016642.db2.gz LNFNBMNEZADDGL-IEBWSBKVSA-N 1 3 362.518 1.869 10 0 FDAEHO C[C@@H]1CN(CC2CCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@H](C)O1 ZINC000333701636 259371379 /nfs/dbraw/zinc/37/13/79/259371379.db2.gz QXHBXSGDGYWKKL-UIBIWLFHSA-N 1 3 352.523 1.658 10 0 FDAEHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000061955623 522503218 /nfs/dbraw/zinc/50/32/18/522503218.db2.gz RYWYRCLWHCLMGY-WOJBJXKFSA-N 1 3 374.529 1.797 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000172117926 524120727 /nfs/dbraw/zinc/12/07/27/524120727.db2.gz JQPHVYRMEHMVHW-IBGZPJMESA-N 1 3 360.502 1.754 10 0 FDAEHO CC(C)[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000117031428 525272777 /nfs/dbraw/zinc/27/27/77/525272777.db2.gz VWPNODAPOQOQKI-QZTJIDSGSA-N 1 3 354.539 1.715 10 0 FDAEHO CC(C)C[C@H](CN(C)C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000184865713 536188498 /nfs/dbraw/zinc/18/84/98/536188498.db2.gz QKQDDAHGVVBUAU-SJLPKXTDSA-N 1 3 356.555 1.697 10 0 FDAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248438314 537182427 /nfs/dbraw/zinc/18/24/27/537182427.db2.gz HUSXVZUAUZMNMQ-LSTHTHJFSA-N 1 3 372.513 1.631 10 0 FDAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248438314 537182429 /nfs/dbraw/zinc/18/24/29/537182429.db2.gz HUSXVZUAUZMNMQ-LSTHTHJFSA-N 1 3 372.513 1.631 10 0 FDAEHO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000192805519 537233292 /nfs/dbraw/zinc/23/32/92/537233292.db2.gz RYWYRCLWHCLMGY-UXHICEINSA-N 1 3 374.529 1.797 10 0 FDAEHO CN(C(=O)C(C)(C)N1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388410085 537765823 /nfs/dbraw/zinc/76/58/23/537765823.db2.gz ONONBXDOWLXWCF-IBGZPJMESA-N 1 3 358.530 1.793 10 0 FDAEHO Cc1ccc(N2CCC[N@@H+](CCCN3CCN(C(C)C)CC3)CC2)nn1 ZINC000192734292 178129181 /nfs/dbraw/zinc/12/91/81/178129181.db2.gz LOKQRBXVYUCMHN-UHFFFAOYSA-N 1 3 360.550 1.713 10 0 FDAEHO Cc1ccc(N2CCC[N@H+](CCCN3CCN(C(C)C)CC3)CC2)nn1 ZINC000192734292 178129183 /nfs/dbraw/zinc/12/91/83/178129183.db2.gz LOKQRBXVYUCMHN-UHFFFAOYSA-N 1 3 360.550 1.713 10 0 FDAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000245756678 178379566 /nfs/dbraw/zinc/37/95/66/178379566.db2.gz YMMSJHSFCMCRGP-WBVHZDCISA-N 1 3 361.490 1.400 10 0 FDAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccnc(OCCN(C)C)c1 ZINC000245756678 178379568 /nfs/dbraw/zinc/37/95/68/178379568.db2.gz YMMSJHSFCMCRGP-WBVHZDCISA-N 1 3 361.490 1.400 10 0 FDAEHO CC[NH+](CC)CCCNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000091843424 172288931 /nfs/dbraw/zinc/28/89/31/172288931.db2.gz ILTSLRFMSQZHSV-GOSISDBHSA-N 1 3 353.555 1.530 10 0 FDAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091846748 172289606 /nfs/dbraw/zinc/28/96/06/172289606.db2.gz OQFDFYTZFPUPQX-OALUTQOASA-N 1 3 367.582 1.774 10 0 FDAEHO C[C@@H](CCNC(=O)N1CCO[C@H](CN(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175632863 174016250 /nfs/dbraw/zinc/01/62/50/174016250.db2.gz LNFNBMNEZADDGL-PKOBYXMFSA-N 1 3 362.518 1.869 10 0 FDAEHO C[C@@H](CCNC(=O)N1CCO[C@H](CN(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175632863 174016252 /nfs/dbraw/zinc/01/62/52/174016252.db2.gz LNFNBMNEZADDGL-PKOBYXMFSA-N 1 3 362.518 1.869 10 0 FDAEHO Cc1nc(CN2CC[C@@H]3[C@@H](CCC(=O)N3CCC[NH3+])C2)c2ccccn12 ZINC000072412125 522245534 /nfs/dbraw/zinc/24/55/34/522245534.db2.gz UNADDYADJFCQFT-FUHWJXTLSA-N 1 3 355.486 1.804 10 0 FDAEHO CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000172447110 524222220 /nfs/dbraw/zinc/22/22/20/524222220.db2.gz BULRHROHRVQMMY-GOSISDBHSA-N 1 3 354.539 1.717 10 0 FDAEHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000111883505 524371238 /nfs/dbraw/zinc/37/12/38/524371238.db2.gz HVQWWLVZSCKGDU-UXHICEINSA-N 1 3 374.529 1.579 10 0 FDAEHO CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000111883505 524371243 /nfs/dbraw/zinc/37/12/43/524371243.db2.gz HVQWWLVZSCKGDU-UXHICEINSA-N 1 3 374.529 1.579 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000176411139 525116570 /nfs/dbraw/zinc/11/65/70/525116570.db2.gz WSHZXGFTTSAUEP-MSOLQXFVSA-N 1 3 353.555 1.386 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000176411139 525116576 /nfs/dbraw/zinc/11/65/76/525116576.db2.gz WSHZXGFTTSAUEP-MSOLQXFVSA-N 1 3 353.555 1.386 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000117030327 525270557 /nfs/dbraw/zinc/27/05/57/525270557.db2.gz GDVRRVAHRWNTOR-GOSISDBHSA-N 1 3 364.490 1.099 10 0 FDAEHO CC1CCN(CC(=O)N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)CC1 ZINC000118997019 525601056 /nfs/dbraw/zinc/60/10/56/525601056.db2.gz OLWAPDITJOVFIX-UHFFFAOYSA-N 1 3 359.518 1.524 10 0 FDAEHO COCCN(C)CCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000171202942 525895174 /nfs/dbraw/zinc/89/51/74/525895174.db2.gz UNPOXOVUZSGIPV-LJQANCHMSA-N 1 3 362.518 1.919 10 0 FDAEHO COCCN(C)CCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000171202942 525895180 /nfs/dbraw/zinc/89/51/80/525895180.db2.gz UNPOXOVUZSGIPV-LJQANCHMSA-N 1 3 362.518 1.919 10 0 FDAEHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171907387 526178153 /nfs/dbraw/zinc/17/81/53/526178153.db2.gz BNQAUROQQHWECC-LJQANCHMSA-N 1 3 372.513 1.633 10 0 FDAEHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000171907387 526178158 /nfs/dbraw/zinc/17/81/58/526178158.db2.gz BNQAUROQQHWECC-LJQANCHMSA-N 1 3 372.513 1.633 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000186271577 536230651 /nfs/dbraw/zinc/23/06/51/536230651.db2.gz IDLGISJSYPRHLI-UXHICEINSA-N 1 3 374.529 1.869 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000186271577 536230652 /nfs/dbraw/zinc/23/06/52/536230652.db2.gz IDLGISJSYPRHLI-UXHICEINSA-N 1 3 374.529 1.869 10 0 FDAEHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246322687 536927519 /nfs/dbraw/zinc/92/75/19/536927519.db2.gz OBZDGTPMKZTGRW-KSZLIROESA-N 1 3 351.539 1.138 10 0 FDAEHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246322687 536927523 /nfs/dbraw/zinc/92/75/23/536927523.db2.gz OBZDGTPMKZTGRW-KSZLIROESA-N 1 3 351.539 1.138 10 0 FDAEHO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000192801945 537233187 /nfs/dbraw/zinc/23/31/87/537233187.db2.gz OYTZIKAUQMSMKI-PMACEKPBSA-N 1 3 374.529 1.970 10 0 FDAEHO CN(C)CCNC(=O)[C@@]1(Cc2cccc(-c3cncnc3)c2)CCC[NH2+]1 ZINC000616575242 555319766 /nfs/dbraw/zinc/31/97/66/555319766.db2.gz IORSBMVWGPDRFB-FQEVSTJZSA-N 1 3 353.470 1.486 10 0 FDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190838968 178028020 /nfs/dbraw/zinc/02/80/20/178028020.db2.gz RXKRJHVILZFKSN-MOPGFXCFSA-N 1 3 360.502 1.623 10 0 FDAEHO CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000170843179 258265059 /nfs/dbraw/zinc/26/50/59/258265059.db2.gz FWTKUKGZVQRXLC-SFHVURJKSA-N 1 3 358.486 1.426 10 0 FDAEHO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091855142 172289301 /nfs/dbraw/zinc/28/93/01/172289301.db2.gz RNSHHUDHSLSHKO-OALUTQOASA-N 1 3 365.566 1.672 10 0 FDAEHO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091855142 172289303 /nfs/dbraw/zinc/28/93/03/172289303.db2.gz RNSHHUDHSLSHKO-OALUTQOASA-N 1 3 365.566 1.672 10 0 FDAEHO C[C@H](CNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)C[NH+]1CCCC1 ZINC000091847088 172290018 /nfs/dbraw/zinc/29/00/18/172290018.db2.gz KLPJYPZIFQAUCL-RTBURBONSA-N 1 3 365.566 1.530 10 0 FDAEHO CN1CC[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)[C@@H]1c1ccccc1 ZINC000179164239 258345521 /nfs/dbraw/zinc/34/55/21/258345521.db2.gz USEXJQIMEOWVLJ-OALUTQOASA-N 1 3 360.502 1.435 10 0 FDAEHO C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)CCO1 ZINC000117034538 525272763 /nfs/dbraw/zinc/27/27/63/525272763.db2.gz KWYWZCQMWALUBS-RTBURBONSA-N 1 3 360.502 1.623 10 0 FDAEHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171907388 526178649 /nfs/dbraw/zinc/17/86/49/526178649.db2.gz BNQAUROQQHWECC-IBGZPJMESA-N 1 3 372.513 1.633 10 0 FDAEHO O=C(NCc1ccc(CN2CCC(O)CC2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171907388 526178654 /nfs/dbraw/zinc/17/86/54/526178654.db2.gz BNQAUROQQHWECC-IBGZPJMESA-N 1 3 372.513 1.633 10 0 FDAEHO C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182931961 535889663 /nfs/dbraw/zinc/88/96/63/535889663.db2.gz FDCKGDYCYISYRV-SCTDSRPQSA-N 1 3 366.550 1.785 10 0 FDAEHO C[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182931961 535889671 /nfs/dbraw/zinc/88/96/71/535889671.db2.gz FDCKGDYCYISYRV-SCTDSRPQSA-N 1 3 366.550 1.785 10 0 FDAEHO Cn1cc([C@@H]2CCN(C/C=C/C[N@@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000247578676 537137611 /nfs/dbraw/zinc/13/76/11/537137611.db2.gz YAPKYCLJPPKFDN-GVKUHWBJSA-N 1 3 354.502 1.989 10 0 FDAEHO Cn1cc([C@@H]2CCN(C/C=C/C[N@H+]3CC[C@@H](c4cnn(C)c4)C3)C2)cn1 ZINC000247578676 537137613 /nfs/dbraw/zinc/13/76/13/537137613.db2.gz YAPKYCLJPPKFDN-GVKUHWBJSA-N 1 3 354.502 1.989 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000248494193 537187787 /nfs/dbraw/zinc/18/77/87/537187787.db2.gz PTZWEKVPBYFGNR-YQQAZPJKSA-N 1 3 352.523 1.346 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000252348464 672593065 /nfs/dbraw/zinc/59/30/65/672593065.db2.gz COJOSRHCRRZSQQ-QZTJIDSGSA-N 1 3 351.539 1.282 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000252348464 672593069 /nfs/dbraw/zinc/59/30/69/672593069.db2.gz COJOSRHCRRZSQQ-QZTJIDSGSA-N 1 3 351.539 1.282 10 0 FDAEHO CN1CCN([C@@H]2CCCCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000091846669 172289633 /nfs/dbraw/zinc/28/96/33/172289633.db2.gz ABTPOYSMZAWJTF-PKOBYXMFSA-N 1 3 363.550 1.282 10 0 FDAEHO CN1CCN([C@@H]2CCCCN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000091846669 172289634 /nfs/dbraw/zinc/28/96/34/172289634.db2.gz ABTPOYSMZAWJTF-PKOBYXMFSA-N 1 3 363.550 1.282 10 0 FDAEHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000130203655 173163523 /nfs/dbraw/zinc/16/35/23/173163523.db2.gz DKKVKCDMKVVNPY-ZTNFWEORSA-N 1 3 372.513 1.330 10 0 FDAEHO C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C[N@H+]1C1CC1 ZINC000130203655 173163526 /nfs/dbraw/zinc/16/35/26/173163526.db2.gz DKKVKCDMKVVNPY-ZTNFWEORSA-N 1 3 372.513 1.330 10 0 FDAEHO CN(c1ccccc1CN[C@@H]1CCc2ncnn2C1)C1CC[NH+](C)CC1 ZINC000134010627 173316488 /nfs/dbraw/zinc/31/64/88/173316488.db2.gz XKVZHEKXEGANSR-QGZVFWFLSA-N 1 3 354.502 1.913 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000172120078 173916359 /nfs/dbraw/zinc/91/63/59/173916359.db2.gz QPDBAZNTPMKJLS-FQEVSTJZSA-N 1 3 374.529 1.666 10 0 FDAEHO Cc1ccc(NC(=O)N2CCO[C@H](CN(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000181214119 174211904 /nfs/dbraw/zinc/21/19/04/174211904.db2.gz GQHKMTVHUZEGIQ-MRXNPFEDSA-N 1 3 364.490 1.730 10 0 FDAEHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H](O)CN1CCCCC1 ZINC000061954995 522503307 /nfs/dbraw/zinc/50/33/07/522503307.db2.gz VKEKQJATHLUDDC-FQEVSTJZSA-N 1 3 374.529 1.928 10 0 FDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H](CN(C)C)C2)[C@H](C)C1 ZINC000117052091 525280037 /nfs/dbraw/zinc/28/00/37/525280037.db2.gz BMANPPNVFMZIRF-KURKYZTESA-N 1 3 370.538 1.095 10 0 FDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCO[C@H](CN(C)C)C2)[C@H](C)C1 ZINC000117052091 525280049 /nfs/dbraw/zinc/28/00/49/525280049.db2.gz BMANPPNVFMZIRF-KURKYZTESA-N 1 3 370.538 1.095 10 0 FDAEHO CCC[C@H](C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)N(C)C ZINC000153848468 525341826 /nfs/dbraw/zinc/34/18/26/525341826.db2.gz FECRKFOVMUGGMQ-RBUKOAKNSA-N 1 3 374.529 1.730 10 0 FDAEHO CCC[C@H](C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)N(C)C ZINC000153848468 525341835 /nfs/dbraw/zinc/34/18/35/525341835.db2.gz FECRKFOVMUGGMQ-RBUKOAKNSA-N 1 3 374.529 1.730 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246953587 537057829 /nfs/dbraw/zinc/05/78/29/537057829.db2.gz DFNNLFFXKVXMAE-MSOLQXFVSA-N 1 3 351.539 1.282 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246953587 537057833 /nfs/dbraw/zinc/05/78/33/537057833.db2.gz DFNNLFFXKVXMAE-MSOLQXFVSA-N 1 3 351.539 1.282 10 0 FDAEHO CCN1CCC[C@H](NC(=O)CCCCC(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000247095255 537080038 /nfs/dbraw/zinc/08/00/38/537080038.db2.gz HXCROYDMJQBCPK-ROUUACIJSA-N 1 3 366.550 1.748 10 0 FDAEHO CCN1CCC[C@H](NC(=O)CCCCC(=O)N[C@H]2CCC[N@@H+](CC)C2)C1 ZINC000247095255 537080041 /nfs/dbraw/zinc/08/00/41/537080041.db2.gz HXCROYDMJQBCPK-ROUUACIJSA-N 1 3 366.550 1.748 10 0 FDAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000248890946 537219362 /nfs/dbraw/zinc/21/93/62/537219362.db2.gz WTJUVZHEQHTSLZ-KZNAEPCWSA-N 1 3 354.539 1.500 10 0 FDAEHO C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000382745107 537758605 /nfs/dbraw/zinc/75/86/05/537758605.db2.gz RYPCFFAISILJIR-GOSISDBHSA-N 1 3 358.530 1.793 10 0 FDAEHO O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@]12CCC[C@H]1C[NH2+]C2 ZINC000634771422 558524679 /nfs/dbraw/zinc/52/46/79/558524679.db2.gz UTSSXKJEMVRDJB-ZVDOUQERSA-N 1 3 357.498 1.783 10 0 FDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190838937 178027773 /nfs/dbraw/zinc/02/77/73/178027773.db2.gz RXKRJHVILZFKSN-RTBURBONSA-N 1 3 360.502 1.623 10 0 FDAEHO C[NH+]1CCC(N2CCC(NC(=O)c3cccc4c3OCC(=O)N4)CC2)CC1 ZINC000104345969 172378517 /nfs/dbraw/zinc/37/85/17/172378517.db2.gz BHPOJDPCYQDJCS-UHFFFAOYSA-N 1 3 372.469 1.306 10 0 FDAEHO C[NH+]1CCC(N2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3CO)CC2)CC1 ZINC000176020661 174045040 /nfs/dbraw/zinc/04/50/40/174045040.db2.gz NENHDRMICIXFII-CRAIPNDOSA-N 1 3 352.523 1.395 10 0 FDAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000333527229 259356666 /nfs/dbraw/zinc/35/66/66/259356666.db2.gz HJRNQZXKLZLEKJ-UBDQQSCGSA-N 1 3 352.523 1.643 10 0 FDAEHO CCN1CCN(CCCCNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000153556217 525248121 /nfs/dbraw/zinc/24/81/21/525248121.db2.gz YHTOYBUAKUFOBA-LJQANCHMSA-N 1 3 367.582 1.824 10 0 FDAEHO CCN1CCN(CCCCNC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000153556217 525248124 /nfs/dbraw/zinc/24/81/24/525248124.db2.gz YHTOYBUAKUFOBA-LJQANCHMSA-N 1 3 367.582 1.824 10 0 FDAEHO C[NH+](C)[C@H]1CCN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)C1 ZINC000170832224 525729690 /nfs/dbraw/zinc/72/96/90/525729690.db2.gz QFNCYVXTTBKWBQ-FQEVSTJZSA-N 1 3 373.545 1.934 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000246953618 537057651 /nfs/dbraw/zinc/05/76/51/537057651.db2.gz DFNNLFFXKVXMAE-QZTJIDSGSA-N 1 3 351.539 1.282 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CC1 ZINC000246953618 537057655 /nfs/dbraw/zinc/05/76/55/537057655.db2.gz DFNNLFFXKVXMAE-QZTJIDSGSA-N 1 3 351.539 1.282 10 0 FDAEHO CN1CC[C@H](NC(=O)NCC2CC[NH+](CCO)CC2)[C@H]1c1ccccc1 ZINC000248122694 537167249 /nfs/dbraw/zinc/16/72/49/537167249.db2.gz USEXJQIMEOWVLJ-RBUKOAKNSA-N 1 3 360.502 1.435 10 0 FDAEHO C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393839 537176462 /nfs/dbraw/zinc/17/64/62/537176462.db2.gz FDCKGDYCYISYRV-JENIJYKNSA-N 1 3 366.550 1.785 10 0 FDAEHO C[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393839 537176465 /nfs/dbraw/zinc/17/64/65/537176465.db2.gz FDCKGDYCYISYRV-JENIJYKNSA-N 1 3 366.550 1.785 10 0 FDAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000192801786 537233300 /nfs/dbraw/zinc/23/33/00/537233300.db2.gz WTJUVZHEQHTSLZ-KURKYZTESA-N 1 3 354.539 1.500 10 0 FDAEHO CC(C)N1CCN(CCC[N@H+](C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000192734367 178129419 /nfs/dbraw/zinc/12/94/19/178129419.db2.gz OOVRDJRKIICOCC-LJQANCHMSA-N 1 3 360.550 1.793 10 0 FDAEHO CC(C)N1CCN(CCC[N@@H+](C)[C@@H]2CCCN(c3cccnn3)C2)CC1 ZINC000192734367 178129421 /nfs/dbraw/zinc/12/94/21/178129421.db2.gz OOVRDJRKIICOCC-LJQANCHMSA-N 1 3 360.550 1.793 10 0 FDAEHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000091845918 172288973 /nfs/dbraw/zinc/28/89/73/172288973.db2.gz ODJQFWCRYDRDOY-QZTJIDSGSA-N 1 3 353.555 1.528 10 0 FDAEHO CN1CCN([C@@H]2CCCCN(C(=O)NCCCC[NH+]3CCCC3)C2)CC1 ZINC000091846171 172289906 /nfs/dbraw/zinc/28/99/06/172289906.db2.gz RGCSGQBHOUOYBG-LJQANCHMSA-N 1 3 365.566 1.674 10 0 FDAEHO CN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCN(CCn2cccn2)CC1 ZINC000109394515 172501744 /nfs/dbraw/zinc/50/17/44/172501744.db2.gz OSDDCBVHPCOSRK-QGZVFWFLSA-N 1 3 374.533 1.473 10 0 FDAEHO CN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CCN(CCn2cccn2)CC1 ZINC000109394515 172501745 /nfs/dbraw/zinc/50/17/45/172501745.db2.gz OSDDCBVHPCOSRK-QGZVFWFLSA-N 1 3 374.533 1.473 10 0 FDAEHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCO[C@@H](CN(C)C)C2)CC1 ZINC000175774871 174026247 /nfs/dbraw/zinc/02/62/47/174026247.db2.gz IMFNKMGSJLDGCD-SFHVURJKSA-N 1 3 354.539 1.717 10 0 FDAEHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN3CCCC[C@@H]3C2)CC1 ZINC000173505957 258300909 /nfs/dbraw/zinc/30/09/09/258300909.db2.gz UDGQMLMTNMPXHH-QZTJIDSGSA-N 1 3 351.539 1.140 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cnc(N3CCOCC3)s2)CC1 ZINC000179515549 525594498 /nfs/dbraw/zinc/59/44/98/525594498.db2.gz UOAXUXAZOKAPSC-OAHLLOKOSA-N 1 3 368.547 1.504 10 0 FDAEHO C[C@@H](CNC(=O)N(C)C1CCN(CCn2cccn2)CC1)[N@H+](C)C1CC1 ZINC000109398792 526122354 /nfs/dbraw/zinc/12/23/54/526122354.db2.gz CFBSBGKPXBTLCH-INIZCTEOSA-N 1 3 362.522 1.472 10 0 FDAEHO C[C@@H](CNC(=O)N(C)C1CCN(CCn2cccn2)CC1)[N@@H+](C)C1CC1 ZINC000109398792 526122362 /nfs/dbraw/zinc/12/23/62/526122362.db2.gz CFBSBGKPXBTLCH-INIZCTEOSA-N 1 3 362.522 1.472 10 0 FDAEHO CC(=O)N[C@@H]1CCCN(CCCCC[N@@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000247106636 537081945 /nfs/dbraw/zinc/08/19/45/537081945.db2.gz VMQLWWNZLJCROU-RTBURBONSA-N 1 3 352.523 1.358 10 0 FDAEHO CC(=O)N[C@@H]1CCCN(CCCCC[N@H+]2CCC[C@@H](NC(C)=O)C2)C1 ZINC000247106636 537081949 /nfs/dbraw/zinc/08/19/49/537081949.db2.gz VMQLWWNZLJCROU-RTBURBONSA-N 1 3 352.523 1.358 10 0 FDAEHO COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H](CN(C)C)C2)cc1OC ZINC000247513261 537128615 /nfs/dbraw/zinc/12/86/15/537128615.db2.gz WBBXWVFXHGJLKT-IAGOWNOFSA-N 1 3 352.475 1.465 10 0 FDAEHO COc1ccc(COC[C@H](O)C[N@H+]2CC[C@H](CN(C)C)C2)cc1OC ZINC000247513261 537128617 /nfs/dbraw/zinc/12/86/17/537128617.db2.gz WBBXWVFXHGJLKT-IAGOWNOFSA-N 1 3 352.475 1.465 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000248446580 537183667 /nfs/dbraw/zinc/18/36/67/537183667.db2.gz GBZKZFWWZCJFRV-IRXDYDNUSA-N 1 3 354.539 1.453 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)CCCC(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000194661892 537310993 /nfs/dbraw/zinc/31/09/93/537310993.db2.gz RVKHRDAVGWTHJE-IAGOWNOFSA-N 1 3 352.523 1.358 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)CCCC(=O)N[C@@H]2CCC[N@@H+](CC)C2)C1 ZINC000194661892 537310996 /nfs/dbraw/zinc/31/09/96/537310996.db2.gz RVKHRDAVGWTHJE-IAGOWNOFSA-N 1 3 352.523 1.358 10 0 FDAEHO COc1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2CN)cc1OC ZINC000584627959 551524859 /nfs/dbraw/zinc/52/48/59/551524859.db2.gz ZPKZBKPJCCNZOX-QGZVFWFLSA-N 1 3 360.454 1.735 10 0 FDAEHO O=C(CCN(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N1CCOCC1 ZINC000261703125 571015850 /nfs/dbraw/zinc/01/58/50/571015850.db2.gz IGCLTBUVXCGTCT-QGZVFWFLSA-N 1 3 363.527 1.941 10 0 FDAEHO CC[C@H](C)[C@H](N)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000236996267 178292068 /nfs/dbraw/zinc/29/20/68/178292068.db2.gz HZZCVDGBTYIHGO-HOCLYGCPSA-N 1 3 354.539 1.302 10 0 FDAEHO CC[C@@H](C)[C@@H](N)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262707821 178783182 /nfs/dbraw/zinc/78/31/82/178783182.db2.gz NKNCACPJIQXUEJ-VQIMIIECSA-N 1 3 362.518 1.649 10 0 FDAEHO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000091863569 172289017 /nfs/dbraw/zinc/28/90/17/172289017.db2.gz WWNOTBVRFGFMHH-LMMKCTJWSA-N 1 3 363.550 1.423 10 0 FDAEHO C[C@@H]1C[C@@H](NC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000091863569 172289018 /nfs/dbraw/zinc/28/90/18/172289018.db2.gz WWNOTBVRFGFMHH-LMMKCTJWSA-N 1 3 363.550 1.423 10 0 FDAEHO C[C@H](NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000091863573 172289955 /nfs/dbraw/zinc/28/99/55/172289955.db2.gz IRIWFCJOCMAQAL-ROUUACIJSA-N 1 3 367.582 1.774 10 0 FDAEHO Cc1cccc2nc(CN(C)CC3CC[NH+](C[C@@H](C)O)CC3)cc(=O)n12 ZINC000329205534 259084080 /nfs/dbraw/zinc/08/40/80/259084080.db2.gz ZIRPLKNPQMIFCU-MRXNPFEDSA-N 1 3 358.486 1.528 10 0 FDAEHO CC(C)[C@H](CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)N1CCN(C)CC1 ZINC000163093523 525359272 /nfs/dbraw/zinc/35/92/72/525359272.db2.gz SLOFYVRMGCOAKL-BZSNNMDCSA-N 1 3 353.555 1.286 10 0 FDAEHO CC(C)[C@H](CNC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)N1CCN(C)CC1 ZINC000163093523 525359280 /nfs/dbraw/zinc/35/92/80/525359280.db2.gz SLOFYVRMGCOAKL-BZSNNMDCSA-N 1 3 353.555 1.286 10 0 FDAEHO C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@H](O)COC(C)(C)C)CC1 ZINC000130677574 525784382 /nfs/dbraw/zinc/78/43/82/525784382.db2.gz SWUBNVRLZVGXSS-KRWDZBQOSA-N 1 3 371.566 1.578 10 0 FDAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109393658 526121063 /nfs/dbraw/zinc/12/10/63/526121063.db2.gz GJRBHBCDLRKHQO-KRWDZBQOSA-N 1 3 364.538 1.719 10 0 FDAEHO C[N@H+](C[C@@H](O)Cn1cccn1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000247875354 537155405 /nfs/dbraw/zinc/15/54/05/537155405.db2.gz YKZWUWRXTLAUIS-RTWAWAEBSA-N 1 3 372.513 1.621 10 0 FDAEHO C[N@@H+](C[C@@H](O)Cn1cccn1)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000247875354 537155409 /nfs/dbraw/zinc/15/54/09/537155409.db2.gz YKZWUWRXTLAUIS-RTWAWAEBSA-N 1 3 372.513 1.621 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000248494191 537188047 /nfs/dbraw/zinc/18/80/47/537188047.db2.gz PTZWEKVPBYFGNR-HLLBOEOZSA-N 1 3 352.523 1.346 10 0 FDAEHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000190851830 178028797 /nfs/dbraw/zinc/02/87/97/178028797.db2.gz AWAVTGYZLCXDKU-UXHICEINSA-N 1 3 372.513 1.767 10 0 FDAEHO O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000190851830 178028798 /nfs/dbraw/zinc/02/87/98/178028798.db2.gz AWAVTGYZLCXDKU-UXHICEINSA-N 1 3 372.513 1.767 10 0 FDAEHO CC[C@@H](C)[C@H](N)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000236887617 178286912 /nfs/dbraw/zinc/28/69/12/178286912.db2.gz HZZCVDGBTYIHGO-ZBFHGGJFSA-N 1 3 354.539 1.302 10 0 FDAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000127493814 173078677 /nfs/dbraw/zinc/07/86/77/173078677.db2.gz OAYZOQITZVFGMH-GOSISDBHSA-N 1 3 367.582 1.821 10 0 FDAEHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000177687657 174150651 /nfs/dbraw/zinc/15/06/51/174150651.db2.gz URYPYAQPNCLKSH-SFHVURJKSA-N 1 3 358.486 1.774 10 0 FDAEHO CN(C)[C@H]1CCN(C(=O)c2cccc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2)C1 ZINC000181165785 174209660 /nfs/dbraw/zinc/20/96/60/174209660.db2.gz IXFBDWARODLTPT-ROUUACIJSA-N 1 3 358.486 1.239 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000173505872 258300959 /nfs/dbraw/zinc/30/09/59/258300959.db2.gz AAJFBSBMPUIALM-FGTMMUONSA-N 1 3 351.539 1.138 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000173505872 258300960 /nfs/dbraw/zinc/30/09/60/258300960.db2.gz AAJFBSBMPUIALM-FGTMMUONSA-N 1 3 351.539 1.138 10 0 FDAEHO CCN1CCN(c2ccc(C(=O)N3CCO[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000173643790 258306090 /nfs/dbraw/zinc/30/60/90/258306090.db2.gz DGIJTWBJCWSEEY-IBGZPJMESA-N 1 3 360.502 1.231 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000113593042 524700892 /nfs/dbraw/zinc/70/08/92/524700892.db2.gz DFNNLFFXKVXMAE-ZWKOTPCHSA-N 1 3 351.539 1.282 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000113593042 524700900 /nfs/dbraw/zinc/70/09/00/524700900.db2.gz DFNNLFFXKVXMAE-ZWKOTPCHSA-N 1 3 351.539 1.282 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000114719806 524860101 /nfs/dbraw/zinc/86/01/01/524860101.db2.gz ORUNVKFMPTVQBW-HOTGVXAUSA-N 1 3 367.559 1.820 10 0 FDAEHO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000114834645 524885295 /nfs/dbraw/zinc/88/52/95/524885295.db2.gz STYQIHDJIBTCEH-PMACEKPBSA-N 1 3 374.529 1.797 10 0 FDAEHO C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCO1 ZINC000117026008 525270412 /nfs/dbraw/zinc/27/04/12/525270412.db2.gz AZTDMZGCHPPQSL-HZPDHXFCSA-N 1 3 366.531 1.857 10 0 FDAEHO CCN1CCN(Cc2ccccc2CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000170829367 525727548 /nfs/dbraw/zinc/72/75/48/525727548.db2.gz JDXHQXLFLMNGMZ-FQEVSTJZSA-N 1 3 373.545 1.670 10 0 FDAEHO O=C(NCC1(N2CCSCC2)CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171901982 526175134 /nfs/dbraw/zinc/17/51/34/526175134.db2.gz KUZQXURJNNXNQF-INIZCTEOSA-N 1 3 352.548 1.838 10 0 FDAEHO O=C(NCC1(N2CCSCC2)CCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000171901982 526175138 /nfs/dbraw/zinc/17/51/38/526175138.db2.gz KUZQXURJNNXNQF-INIZCTEOSA-N 1 3 352.548 1.838 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000184711555 536177758 /nfs/dbraw/zinc/17/77/58/536177758.db2.gz DMBJRDIKHTXJLE-QGZVFWFLSA-N 1 3 368.566 1.985 10 0 FDAEHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCN3CCC[C@H]3C2)CC1 ZINC000246249674 536909838 /nfs/dbraw/zinc/90/98/38/536909838.db2.gz FFZULTLDHHPMRP-NRFANRHFSA-N 1 3 370.541 1.856 10 0 FDAEHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246947795 537056401 /nfs/dbraw/zinc/05/64/01/537056401.db2.gz CNQOSTVULDLXDT-KURKYZTESA-N 1 3 354.539 1.717 10 0 FDAEHO CCOC(=O)C1CCC(O)(CN(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000191011677 537194554 /nfs/dbraw/zinc/19/45/54/537194554.db2.gz FBISYQBNCCOLNX-UHFFFAOYSA-N 1 3 369.550 1.429 10 0 FDAEHO CCOC(=O)C1CCC(O)(CN(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000191011677 537194557 /nfs/dbraw/zinc/19/45/57/537194557.db2.gz FBISYQBNCCOLNX-UHFFFAOYSA-N 1 3 369.550 1.429 10 0 FDAEHO O=C(NC[C@H](O)CN1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176492119 258324584 /nfs/dbraw/zinc/32/45/84/258324584.db2.gz TZTHPCWCDVLZKA-IBGZPJMESA-N 1 3 366.550 1.930 10 0 FDAEHO CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000333527225 259356527 /nfs/dbraw/zinc/35/65/27/259356527.db2.gz HJRNQZXKLZLEKJ-BGTYHANMSA-N 1 3 352.523 1.643 10 0 FDAEHO COC(=O)N[C@H](CC(C)C)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050796918 522940047 /nfs/dbraw/zinc/94/00/47/522940047.db2.gz ALHMXSWRIWJARW-QGZVFWFLSA-N 1 3 368.522 1.432 10 0 FDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@H](C)C1 ZINC000172166684 524144286 /nfs/dbraw/zinc/14/42/86/524144286.db2.gz PFINKHFQLFDQCZ-KURKYZTESA-N 1 3 352.523 1.613 10 0 FDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN3CCC[C@@H]3C2)[C@H](C)C1 ZINC000172166684 524144291 /nfs/dbraw/zinc/14/42/91/524144291.db2.gz PFINKHFQLFDQCZ-KURKYZTESA-N 1 3 352.523 1.613 10 0 FDAEHO C[NH+](C)Cc1cccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000159188692 524611563 /nfs/dbraw/zinc/61/15/63/524611563.db2.gz KYZZMNYKLDIQRK-NRFANRHFSA-N 1 3 367.493 1.897 10 0 FDAEHO CC(C)OCCN1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000176619539 525155294 /nfs/dbraw/zinc/15/52/94/525155294.db2.gz CDACGKSOZBJICH-SFHVURJKSA-N 1 3 370.538 1.022 10 0 FDAEHO CCC[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)N(C)C ZINC000154713681 525618708 /nfs/dbraw/zinc/61/87/08/525618708.db2.gz PMFASSYKYVWERZ-IBGZPJMESA-N 1 3 374.529 1.859 10 0 FDAEHO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246910567 537050020 /nfs/dbraw/zinc/05/00/20/537050020.db2.gz AUMQWLHNIDBJDN-SJORKVTESA-N 1 3 354.539 1.859 10 0 FDAEHO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246910567 537050023 /nfs/dbraw/zinc/05/00/23/537050023.db2.gz AUMQWLHNIDBJDN-SJORKVTESA-N 1 3 354.539 1.859 10 0 FDAEHO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248464098 537185823 /nfs/dbraw/zinc/18/58/23/537185823.db2.gz ZGUXULKDVKIPLA-VQTJNVASSA-N 1 3 374.529 1.879 10 0 FDAEHO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248464098 537185825 /nfs/dbraw/zinc/18/58/25/537185825.db2.gz ZGUXULKDVKIPLA-VQTJNVASSA-N 1 3 374.529 1.879 10 0 FDAEHO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000192805507 537233505 /nfs/dbraw/zinc/23/35/05/537233505.db2.gz RYWYRCLWHCLMGY-PMACEKPBSA-N 1 3 374.529 1.797 10 0 FDAEHO C[C@H]1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000382726213 537758386 /nfs/dbraw/zinc/75/83/86/537758386.db2.gz TXUXBGLQXWDBME-SFHVURJKSA-N 1 3 358.530 1.793 10 0 FDAEHO CS(=O)(=O)N1CCC[C@@H](CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261706442 672655712 /nfs/dbraw/zinc/65/57/12/672655712.db2.gz KAZBKDPRCJEEEN-JQHSSLGASA-N 1 3 351.516 1.332 10 0 FDAEHO O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177685059 174150814 /nfs/dbraw/zinc/15/08/14/174150814.db2.gz QUDVZHIFJYLAHX-LJQANCHMSA-N 1 3 370.497 1.570 10 0 FDAEHO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000333717433 259374009 /nfs/dbraw/zinc/37/40/09/259374009.db2.gz UARPCWVVIOWJEL-YTQUADARSA-N 1 3 358.486 1.630 10 0 FDAEHO C[C@H](NC[C@@H]1CN(C)CCO1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113439033 524685729 /nfs/dbraw/zinc/68/57/29/524685729.db2.gz AIMDMTVUFINLEQ-FXAWDEMLSA-N 1 3 374.529 1.076 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@H]2CCC[N@@H+]2CC)CC1 ZINC000176411170 525116695 /nfs/dbraw/zinc/11/66/95/525116695.db2.gz WSHZXGFTTSAUEP-QZTJIDSGSA-N 1 3 353.555 1.386 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N(C)C[C@H]2CCC[N@H+]2CC)CC1 ZINC000176411170 525116700 /nfs/dbraw/zinc/11/67/00/525116700.db2.gz WSHZXGFTTSAUEP-QZTJIDSGSA-N 1 3 353.555 1.386 10 0 FDAEHO CN1CC[C@H](CNS(=O)(=O)c2ccc(C[NH2+]C3CCCC3)cc2)C1 ZINC000098178624 525209974 /nfs/dbraw/zinc/20/99/74/525209974.db2.gz WRHNFEVAEHACQU-MRXNPFEDSA-N 1 3 351.516 1.949 10 0 FDAEHO CN1CCC([NH+]2CCC(NC(=O)N3CCN4CCCC[C@H]4C3)CC2)CC1 ZINC000105211155 525475358 /nfs/dbraw/zinc/47/53/58/525475358.db2.gz VNYHTFLZZGXXRB-IBGZPJMESA-N 1 3 363.550 1.425 10 0 FDAEHO CC(C)OCCN1CCC(NC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132469683 525966850 /nfs/dbraw/zinc/96/68/50/525966850.db2.gz DGKSSMLFDRSYST-WMZOPIPTSA-N 1 3 354.539 1.904 10 0 FDAEHO CC(C)OCCN1CCC(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000132469683 525966855 /nfs/dbraw/zinc/96/68/55/525966855.db2.gz DGKSSMLFDRSYST-WMZOPIPTSA-N 1 3 354.539 1.904 10 0 FDAEHO C[C@H](CNC(=O)N(C)C1CCN(CCn2cccn2)CC1)[N@H+](C)C1CC1 ZINC000109398795 526122739 /nfs/dbraw/zinc/12/27/39/526122739.db2.gz CFBSBGKPXBTLCH-MRXNPFEDSA-N 1 3 362.522 1.472 10 0 FDAEHO C[C@H](CNC(=O)N(C)C1CCN(CCn2cccn2)CC1)[N@@H+](C)C1CC1 ZINC000109398795 526122745 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1.841 10 0 FDAEHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000248882841 537218650 /nfs/dbraw/zinc/21/86/50/537218650.db2.gz RYWYRCLWHCLMGY-VQTJNVASSA-N 1 3 374.529 1.797 10 0 FDAEHO CS(=O)(=O)N1CCC[C@H](CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1 ZINC000261706446 672655657 /nfs/dbraw/zinc/65/56/57/672655657.db2.gz KAZBKDPRCJEEEN-NXHRZFHOSA-N 1 3 351.516 1.332 10 0 FDAEHO O[C@@H]1C[NH2+]C[C@@H]1CNC1CCN(Cc2ccccc2Br)CC1 ZINC000262107205 672727395 /nfs/dbraw/zinc/72/73/95/672727395.db2.gz JTYBWYFVVYOTQM-RHSMWYFYSA-N 1 3 368.319 1.583 10 0 FDAEHO CN1CCN([C@@H]2CCCCN(C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000091854933 172289415 /nfs/dbraw/zinc/28/94/15/172289415.db2.gz JPJRKOGLCOPAKT-LJQANCHMSA-N 1 3 365.566 1.672 10 0 FDAEHO CN1CCN([C@@H]2CCCCN(C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000091854933 172289417 /nfs/dbraw/zinc/28/94/17/172289417.db2.gz JPJRKOGLCOPAKT-LJQANCHMSA-N 1 3 365.566 1.672 10 0 FDAEHO C[C@H](CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)C[NH+]1CCCC1 ZINC000091847079 172289518 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354.539 1.787 10 0 FDAEHO C[N@@H+](CCCNC(=O)NC[C@H](O)CN1CCCCC1)C1CCCCC1 ZINC000192801696 537233375 /nfs/dbraw/zinc/23/33/75/537233375.db2.gz HXOZPJNNARPYGD-SFHVURJKSA-N 1 3 354.539 1.787 10 0 FDAEHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H](O)CN1CCCCC1 ZINC000192800087 537233519 /nfs/dbraw/zinc/23/35/19/537233519.db2.gz LRURGBYPRGFARH-HXUWFJFHSA-N 1 3 374.529 1.928 10 0 FDAEHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000245477599 178360891 /nfs/dbraw/zinc/36/08/91/178360891.db2.gz UNJIJLKNDXBXMR-WMZOPIPTSA-N 1 3 352.523 1.754 10 0 FDAEHO CC(C)OCCN1CCC(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)CC1 ZINC000245477599 178360893 /nfs/dbraw/zinc/36/08/93/178360893.db2.gz UNJIJLKNDXBXMR-WMZOPIPTSA-N 1 3 352.523 1.754 10 0 FDAEHO O=C(CN1CCN2CCC[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000245793906 178381790 /nfs/dbraw/zinc/38/17/90/178381790.db2.gz DUFPLADZMMLVJX-FQEVSTJZSA-N 1 3 356.514 1.679 10 0 FDAEHO O=C(NC[C@@H](O)CN1CCCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176492134 258324525 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10 0 FDAEHO CCN1CCN(CCCCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000247307886 537106168 /nfs/dbraw/zinc/10/61/68/537106168.db2.gz LSTYDESPKIKHLR-MSOLQXFVSA-N 1 3 353.555 1.432 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247307886 537106172 /nfs/dbraw/zinc/10/61/72/537106172.db2.gz LSTYDESPKIKHLR-MSOLQXFVSA-N 1 3 353.555 1.432 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000247810499 537151994 /nfs/dbraw/zinc/15/19/94/537151994.db2.gz UTPWRBNNEVKMKY-MHORFTMASA-N 1 3 353.551 1.904 10 0 FDAEHO C[N@H+](CCCNC(=O)NC[C@@H](O)CN1CCCCC1)C1CCCCC1 ZINC000192801709 537233202 /nfs/dbraw/zinc/23/32/02/537233202.db2.gz HXOZPJNNARPYGD-GOSISDBHSA-N 1 3 354.539 1.787 10 0 FDAEHO C[N@@H+](CCCNC(=O)NC[C@@H](O)CN1CCCCC1)C1CCCCC1 ZINC000192801709 537233203 /nfs/dbraw/zinc/23/32/03/537233203.db2.gz HXOZPJNNARPYGD-GOSISDBHSA-N 1 3 354.539 1.787 10 0 FDAEHO O=C(NC[C@@H](c1ccccc1)N1CCCC1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000192798343 537233547 /nfs/dbraw/zinc/23/35/47/537233547.db2.gz YCTKFGGKGPYFQS-PMACEKPBSA-N 1 3 374.529 1.970 10 0 FDAEHO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000193873236 537256454 /nfs/dbraw/zinc/25/64/54/537256454.db2.gz VMFBFKVKPSQDBS-IRXDYDNUSA-N 1 3 354.539 1.643 10 0 FDAEHO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000193873236 537256455 /nfs/dbraw/zinc/25/64/55/537256455.db2.gz VMFBFKVKPSQDBS-IRXDYDNUSA-N 1 3 354.539 1.643 10 0 FDAEHO COC1CC[NH+](C2(CNC(=O)[C@H](N)C3CCOCC3)CCCC2)CC1 ZINC000261911016 672692465 /nfs/dbraw/zinc/69/24/65/672692465.db2.gz XODJCTKOHXYXFA-QGZVFWFLSA-N 1 3 353.507 1.280 10 0 FDAEHO CN(C)[C@@H]1CCN(C(=O)c2cccc(C(=O)N3CC[C@H]([NH+](C)C)C3)c2)C1 ZINC000181165766 174209491 /nfs/dbraw/zinc/20/94/91/174209491.db2.gz IXFBDWARODLTPT-HDICACEKSA-N 1 3 358.486 1.239 10 0 FDAEHO CN(C)[C@H]1CCN(C(=O)c2cccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)c2)C1 ZINC000181165766 174209494 /nfs/dbraw/zinc/20/94/94/174209494.db2.gz IXFBDWARODLTPT-HDICACEKSA-N 1 3 358.486 1.239 10 0 FDAEHO CC[C@@H](C)[C@@H](N)C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000182294341 177512753 /nfs/dbraw/zinc/51/27/53/177512753.db2.gz HNFDQDPYTMVAGQ-NVXWUHKLSA-N 1 3 352.523 1.201 10 0 FDAEHO CC(=O)N[C@@H]1CCCN(CCCCC[N@@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000077266575 523282034 /nfs/dbraw/zinc/28/20/34/523282034.db2.gz VMQLWWNZLJCROU-KDURUIRLSA-N 1 3 352.523 1.358 10 0 FDAEHO CC(=O)N[C@@H]1CCCN(CCCCC[N@H+]2CCC[C@H](NC(C)=O)C2)C1 ZINC000077266575 523282042 /nfs/dbraw/zinc/28/20/42/523282042.db2.gz VMQLWWNZLJCROU-KDURUIRLSA-N 1 3 352.523 1.358 10 0 FDAEHO CC(=O)N[C@@H]1CCC[N@@H+](CCCCCN2CCC[C@H](NC(C)=O)C2)C1 ZINC000077266575 523282055 /nfs/dbraw/zinc/28/20/55/523282055.db2.gz VMQLWWNZLJCROU-KDURUIRLSA-N 1 3 352.523 1.358 10 0 FDAEHO CC(=O)N[C@@H]1CCC[N@H+](CCCCCN2CCC[C@H](NC(C)=O)C2)C1 ZINC000077266575 523282062 /nfs/dbraw/zinc/28/20/62/523282062.db2.gz VMQLWWNZLJCROU-KDURUIRLSA-N 1 3 352.523 1.358 10 0 FDAEHO CCC(CC)[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)[NH+]1CCCC1 ZINC000117029529 525269772 /nfs/dbraw/zinc/26/97/72/525269772.db2.gz IUGGRMGHSTXPLD-MSOLQXFVSA-N 1 3 354.539 1.859 10 0 FDAEHO CCN1CCC[C@H](NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000105174464 525473711 /nfs/dbraw/zinc/47/37/11/525473711.db2.gz UVMNWYLPTPNVRP-OTWHNJEPSA-N 1 3 365.566 1.671 10 0 FDAEHO CCN1CCC[C@H](NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000105174464 525473719 /nfs/dbraw/zinc/47/37/19/525473719.db2.gz UVMNWYLPTPNVRP-OTWHNJEPSA-N 1 3 365.566 1.671 10 0 FDAEHO CCC[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)N(C)C ZINC000164265228 525490923 /nfs/dbraw/zinc/49/09/23/525490923.db2.gz QMMWAWAFIVPSTN-SFHVURJKSA-N 1 3 366.550 1.557 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185892744 536220522 /nfs/dbraw/zinc/22/05/22/536220522.db2.gz RPZKJJHMNPYWNO-ZWKOTPCHSA-N 1 3 353.555 1.432 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000185892744 536220523 /nfs/dbraw/zinc/22/05/23/536220523.db2.gz RPZKJJHMNPYWNO-ZWKOTPCHSA-N 1 3 353.555 1.432 10 0 FDAEHO C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246435417 536952754 /nfs/dbraw/zinc/95/27/54/536952754.db2.gz VUIIZLIFRWMQMF-YZGWKJHDSA-N 1 3 358.530 1.649 10 0 FDAEHO CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000247198260 537093697 /nfs/dbraw/zinc/09/36/97/537093697.db2.gz UDGQMLMTNMPXHH-MSOLQXFVSA-N 1 3 351.539 1.140 10 0 FDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@@H](C)C1 ZINC000247247282 537100355 /nfs/dbraw/zinc/10/03/55/537100355.db2.gz PFINKHFQLFDQCZ-BZSNNMDCSA-N 1 3 352.523 1.613 10 0 FDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@@H](C)C1 ZINC000247247282 537100360 /nfs/dbraw/zinc/10/03/60/537100360.db2.gz PFINKHFQLFDQCZ-BZSNNMDCSA-N 1 3 352.523 1.613 10 0 FDAEHO C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000190838955 178027521 /nfs/dbraw/zinc/02/75/21/178027521.db2.gz RXKRJHVILZFKSN-RBUKOAKNSA-N 1 3 360.502 1.623 10 0 FDAEHO C[C@H](CNC(=O)N1CCC([NH+]2CCCC2)CC1)CN1CCN(C)CC1 ZINC000074656800 172084342 /nfs/dbraw/zinc/08/43/42/172084342.db2.gz QLUMXGLYLDRHIN-QGZVFWFLSA-N 1 3 351.539 1.140 10 0 FDAEHO CC[N@H+](CCNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)C1CC1 ZINC000091848642 172289537 /nfs/dbraw/zinc/28/95/37/172289537.db2.gz BJBLEAKYVOQUCO-GOSISDBHSA-N 1 3 351.539 1.282 10 0 FDAEHO CC[N@@H+](CCNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)C1CC1 ZINC000091848642 172289539 /nfs/dbraw/zinc/28/95/39/172289539.db2.gz BJBLEAKYVOQUCO-GOSISDBHSA-N 1 3 351.539 1.282 10 0 FDAEHO CCN1CCN(c2ccc(C(=O)N3CCO[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000173643777 258305675 /nfs/dbraw/zinc/30/56/75/258305675.db2.gz DGIJTWBJCWSEEY-LJQANCHMSA-N 1 3 360.502 1.231 10 0 FDAEHO CC1CC[NH+](CCNC(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 ZINC000077801817 523467112 /nfs/dbraw/zinc/46/71/12/523467112.db2.gz CQDHINPWNNHTNN-FQEVSTJZSA-N 1 3 374.529 1.437 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000177400625 525287101 /nfs/dbraw/zinc/28/71/01/525287101.db2.gz SVOLYYVIIMMCKE-SFHVURJKSA-N 1 3 353.555 1.530 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)CC1 ZINC000177400625 525287109 /nfs/dbraw/zinc/28/71/09/525287109.db2.gz SVOLYYVIIMMCKE-SFHVURJKSA-N 1 3 353.555 1.530 10 0 FDAEHO CN(CC(=O)N(C)C1CC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106126930 525619699 /nfs/dbraw/zinc/61/96/99/525619699.db2.gz QKOOGZWYCVGNON-HXUWFJFHSA-N 1 3 359.514 1.985 10 0 FDAEHO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000185638489 536214092 /nfs/dbraw/zinc/21/40/92/536214092.db2.gz IMOGYQZIKNHBPM-HOJAQTOUSA-N 1 3 374.529 1.653 10 0 FDAEHO CCO[C@H]1C[C@@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCOCC2 ZINC000186243165 536229834 /nfs/dbraw/zinc/22/98/34/536229834.db2.gz JOPXXUFPQCPAEN-MOPGFXCFSA-N 1 3 353.551 1.968 10 0 FDAEHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CC(C)C)CN(C)C)CC1=O ZINC000246480268 536962584 /nfs/dbraw/zinc/96/25/84/536962584.db2.gz ROSVXBSDAHRMGR-RCCFBDPRSA-N 1 3 366.550 1.412 10 0 FDAEHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CC(C)C)CN(C)C)CC1=O ZINC000246480268 536962589 /nfs/dbraw/zinc/96/25/89/536962589.db2.gz ROSVXBSDAHRMGR-RCCFBDPRSA-N 1 3 366.550 1.412 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000246594294 536987221 /nfs/dbraw/zinc/98/72/21/536987221.db2.gz TVNUGFKYZBVIIK-QZTJIDSGSA-N 1 3 373.541 1.984 10 0 FDAEHO O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H](CN1CCCC1)c1ccccc1 ZINC000192801935 537233405 /nfs/dbraw/zinc/23/34/05/537233405.db2.gz OYTZIKAUQMSMKI-VQTJNVASSA-N 1 3 374.529 1.970 10 0 FDAEHO O=C(NC[C@H](O)CN1CCCCC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194443391 178211671 /nfs/dbraw/zinc/21/16/71/178211671.db2.gz FHEMJOUQCHMYJD-UXHICEINSA-N 1 3 374.529 1.655 10 0 FDAEHO O=C(NC[C@H](O)CN1CCCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194443391 178211672 /nfs/dbraw/zinc/21/16/72/178211672.db2.gz FHEMJOUQCHMYJD-UXHICEINSA-N 1 3 374.529 1.655 10 0 FDAEHO Cc1ccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c(OCC[NH+](C)C)c1 ZINC000177696840 174152280 /nfs/dbraw/zinc/15/22/80/174152280.db2.gz WJEWYBKNWPUDSK-MRXNPFEDSA-N 1 3 374.485 1.181 10 0 FDAEHO C[C@@H]1CN(CCC2CCN(C(=O)NC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333473804 259351738 /nfs/dbraw/zinc/35/17/38/259351738.db2.gz BCYJHLHSPDEMGI-SOLBZPMBSA-N 1 3 352.523 1.517 10 0 FDAEHO C[C@H](CNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[N@H+](C)C1CC1 ZINC000114595853 524837465 /nfs/dbraw/zinc/83/74/65/524837465.db2.gz GMHJYRCCRYYWRZ-MRXNPFEDSA-N 1 3 374.533 1.458 10 0 FDAEHO C[C@H](CNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[N@@H+](C)C1CC1 ZINC000114595853 524837480 /nfs/dbraw/zinc/83/74/80/524837480.db2.gz GMHJYRCCRYYWRZ-MRXNPFEDSA-N 1 3 374.533 1.458 10 0 FDAEHO Cc1ccccc1C[NH+]1CCC(NC(=O)CN2CCN3CCC[C@@H]3C2)CC1 ZINC000178626487 525453851 /nfs/dbraw/zinc/45/38/51/525453851.db2.gz FFZULTLDHHPMRP-OAQYLSRUSA-N 1 3 370.541 1.856 10 0 FDAEHO CN(C)[C@@H]1CCN(C(=O)CCCCCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000105600227 525518570 /nfs/dbraw/zinc/51/85/70/525518570.db2.gz XJPAZSGKOAYBKK-IAGOWNOFSA-N 1 3 352.523 1.262 10 0 FDAEHO CN(CCN1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1)Cc1ccccc1 ZINC000181001872 525788071 /nfs/dbraw/zinc/78/80/71/525788071.db2.gz NUPXBICKFOUTEU-NRFANRHFSA-N 1 3 358.530 1.795 10 0 FDAEHO CN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCN(CCn2cccn2)CC1 ZINC000109392962 526119913 /nfs/dbraw/zinc/11/99/13/526119913.db2.gz JKMOMQAOUZZJHA-UHFFFAOYSA-N 1 3 374.533 1.616 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CCO1 ZINC000186271595 536230713 /nfs/dbraw/zinc/23/07/13/536230713.db2.gz IDLGISJSYPRHLI-PMACEKPBSA-N 1 3 374.529 1.869 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000186271595 536230714 /nfs/dbraw/zinc/23/07/14/536230714.db2.gz IDLGISJSYPRHLI-PMACEKPBSA-N 1 3 374.529 1.869 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000249744671 537242164 /nfs/dbraw/zinc/24/21/64/537242164.db2.gz LPBNRRUPPZHHGR-FGTMMUONSA-N 1 3 368.566 1.889 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000249744671 537242166 /nfs/dbraw/zinc/24/21/66/537242166.db2.gz LPBNRRUPPZHHGR-FGTMMUONSA-N 1 3 368.566 1.889 10 0 FDAEHO O[C@H]1C[NH2+]C[C@H]1CNC1CCN(Cc2ccccc2Br)CC1 ZINC000262107213 672727304 /nfs/dbraw/zinc/72/73/04/672727304.db2.gz JTYBWYFVVYOTQM-YOEHRIQHSA-N 1 3 368.319 1.583 10 0 FDAEHO CN(CCN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000237137142 178298824 /nfs/dbraw/zinc/29/88/24/178298824.db2.gz UKMHBRSCRPUTQP-WOJBJXKFSA-N 1 3 358.530 1.780 10 0 FDAEHO C[NH+](C)[C@@H]1CCN(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)C1 ZINC000173502115 258301463 /nfs/dbraw/zinc/30/14/63/258301463.db2.gz ARWIQOMEMYPAQB-UXHICEINSA-N 1 3 374.529 1.778 10 0 FDAEHO C[C@H](NC[C@H]1CN(C)CCO1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113439038 524684217 /nfs/dbraw/zinc/68/42/17/524684217.db2.gz AIMDMTVUFINLEQ-PXNSSMCTSA-N 1 3 374.529 1.076 10 0 FDAEHO CN(C)[C@@H]1CCN(C(=O)CCCCCC(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000105600222 525518902 /nfs/dbraw/zinc/51/89/02/525518902.db2.gz XJPAZSGKOAYBKK-CALCHBBNSA-N 1 3 352.523 1.262 10 0 FDAEHO CN(C)[C@H]1CCN(C(=O)CCCCCC(=O)N2CC[C@@H]([NH+](C)C)C2)C1 ZINC000105600222 525518906 /nfs/dbraw/zinc/51/89/06/525518906.db2.gz XJPAZSGKOAYBKK-CALCHBBNSA-N 1 3 352.523 1.262 10 0 FDAEHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000246643430 536995675 /nfs/dbraw/zinc/99/56/75/536995675.db2.gz AFJVXCQGIYNGIU-HOJAQTOUSA-N 1 3 356.514 1.546 10 0 FDAEHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000246643430 536995676 /nfs/dbraw/zinc/99/56/76/536995676.db2.gz AFJVXCQGIYNGIU-HOJAQTOUSA-N 1 3 356.514 1.546 10 0 FDAEHO Cc1ccccc1CN1CCCN(C(=O)CN2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000247816464 537152923 /nfs/dbraw/zinc/15/29/23/537152923.db2.gz WIFIWYKMNRCWOD-NRFANRHFSA-N 1 3 370.541 1.809 10 0 FDAEHO Cc1ccccc1CN1CCCN(C(=O)CN2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000247816464 537152925 /nfs/dbraw/zinc/15/29/25/537152925.db2.gz WIFIWYKMNRCWOD-NRFANRHFSA-N 1 3 370.541 1.809 10 0 FDAEHO CC(C)(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CC[NH2+]CC1 ZINC000391010175 537769767 /nfs/dbraw/zinc/76/97/67/537769767.db2.gz JZOSYNFHIMUIIJ-IBGZPJMESA-N 1 3 374.529 1.078 10 0 FDAEHO COC1CC[NH+](C2(CNC(=O)[C@@H](N)C3CCOCC3)CCCC2)CC1 ZINC000261911013 672692787 /nfs/dbraw/zinc/69/27/87/672692787.db2.gz XODJCTKOHXYXFA-KRWDZBQOSA-N 1 3 353.507 1.280 10 0 FDAEHO CCC[C@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)N(C)C ZINC000137796708 524247440 /nfs/dbraw/zinc/24/74/40/524247440.db2.gz PQWYDWSJHHLJDP-QGZVFWFLSA-N 1 3 368.566 1.659 10 0 FDAEHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111689420 524326589 /nfs/dbraw/zinc/32/65/89/524326589.db2.gz AJPUXSQBDPXTOX-FQEVSTJZSA-N 1 3 359.514 1.814 10 0 FDAEHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@H](O)CN2CCCC2=O)CC1 ZINC000111689420 524326598 /nfs/dbraw/zinc/32/65/98/524326598.db2.gz AJPUXSQBDPXTOX-FQEVSTJZSA-N 1 3 359.514 1.814 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000173998179 524501593 /nfs/dbraw/zinc/50/15/93/524501593.db2.gz CCSYVEAMDZQCQM-QZTJIDSGSA-N 1 3 355.571 1.536 10 0 FDAEHO C[C@@H](NC[C@H]1CN(C)CCO1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113439039 524684746 /nfs/dbraw/zinc/68/47/46/524684746.db2.gz AIMDMTVUFINLEQ-XLIONFOSSA-N 1 3 374.529 1.076 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000152381786 524865346 /nfs/dbraw/zinc/86/53/46/524865346.db2.gz POEWWPKHWTWYFP-QZTJIDSGSA-N 1 3 354.539 1.859 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000152381786 524865357 /nfs/dbraw/zinc/86/53/57/524865357.db2.gz POEWWPKHWTWYFP-QZTJIDSGSA-N 1 3 354.539 1.859 10 0 FDAEHO CN1CCN(Cc2ccc(CNC(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000171900375 526172036 /nfs/dbraw/zinc/17/20/36/526172036.db2.gz YPXNCXJPEBAMNQ-HXUWFJFHSA-N 1 3 371.529 1.424 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000184833731 536186757 /nfs/dbraw/zinc/18/67/57/536186757.db2.gz JFBCUQDFMRCKJR-QGZVFWFLSA-N 1 3 354.539 1.453 10 0 FDAEHO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246910537 537050300 /nfs/dbraw/zinc/05/03/00/537050300.db2.gz AUMQWLHNIDBJDN-IRXDYDNUSA-N 1 3 354.539 1.859 10 0 FDAEHO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246910537 537050303 /nfs/dbraw/zinc/05/03/03/537050303.db2.gz AUMQWLHNIDBJDN-IRXDYDNUSA-N 1 3 354.539 1.859 10 0 FDAEHO CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@H](C)C1 ZINC000247247294 537100731 /nfs/dbraw/zinc/10/07/31/537100731.db2.gz PFINKHFQLFDQCZ-SQNIBIBYSA-N 1 3 352.523 1.613 10 0 FDAEHO CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN3CCC[C@H]3C2)[C@H](C)C1 ZINC000247247294 537100735 /nfs/dbraw/zinc/10/07/35/537100735.db2.gz PFINKHFQLFDQCZ-SQNIBIBYSA-N 1 3 352.523 1.613 10 0 FDAEHO C[C@H](C(=O)NCc1ccc(F)cc1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247774734 537148792 /nfs/dbraw/zinc/14/87/92/537148792.db2.gz QGCFUFFNFIEMTM-JKSUJKDBSA-N 1 3 365.493 1.855 10 0 FDAEHO C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247810502 537151675 /nfs/dbraw/zinc/15/16/75/537151675.db2.gz UTPWRBNNEVKMKY-XLAORIBOSA-N 1 3 353.551 1.904 10 0 FDAEHO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000248438567 537182473 /nfs/dbraw/zinc/18/24/73/537182473.db2.gz HUSXVZUAUZMNMQ-UXPWSPDFSA-N 1 3 372.513 1.631 10 0 FDAEHO C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000248438567 537182475 /nfs/dbraw/zinc/18/24/75/537182475.db2.gz HUSXVZUAUZMNMQ-UXPWSPDFSA-N 1 3 372.513 1.631 10 0 FDAEHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248457233 537184816 /nfs/dbraw/zinc/18/48/16/537184816.db2.gz OOMABDFCAITODW-KSZLIROESA-N 1 3 368.566 1.841 10 0 FDAEHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1(C)C ZINC000249053209 537226239 /nfs/dbraw/zinc/22/62/39/537226239.db2.gz BUCSCVXBSGZVGP-ZSZQSSIHSA-N 1 3 355.523 1.070 10 0 FDAEHO CSCC[NH2+]Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1 ZINC000012580100 670614536 /nfs/dbraw/zinc/61/45/36/670614536.db2.gz WMXBKDDILVEELU-QGZVFWFLSA-N 1 3 354.516 1.336 10 0 FDAEHO C[C@@H](CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)C[NH+]1CCCC1 ZINC000091847078 172289084 /nfs/dbraw/zinc/28/90/84/172289084.db2.gz KLPJYPZIFQAUCL-OALUTQOASA-N 1 3 365.566 1.530 10 0 FDAEHO C[C@@H](CNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000091854875 172289490 /nfs/dbraw/zinc/28/94/90/172289490.db2.gz RTIPASHPRJZTCE-FUHWJXTLSA-N 1 3 351.539 1.281 10 0 FDAEHO C[C@@H](CNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000091854875 172289493 /nfs/dbraw/zinc/28/94/93/172289493.db2.gz RTIPASHPRJZTCE-FUHWJXTLSA-N 1 3 351.539 1.281 10 0 FDAEHO C[C@@H](NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000091863574 172290004 /nfs/dbraw/zinc/29/00/04/172290004.db2.gz IRIWFCJOCMAQAL-MSOLQXFVSA-N 1 3 367.582 1.774 10 0 FDAEHO CC(C)CC[NH+]1CCC(CNC(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000175774853 174027085 /nfs/dbraw/zinc/02/70/85/174027085.db2.gz IMFNKMGSJLDGCD-GOSISDBHSA-N 1 3 354.539 1.717 10 0 FDAEHO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C(=O)C3(N)CC3)C2)cc1OC ZINC000072138854 522164443 /nfs/dbraw/zinc/16/44/43/522164443.db2.gz NFYGJIKZWMKPJB-INIZCTEOSA-N 1 3 361.486 1.660 10 0 FDAEHO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C(=O)C3(N)CC3)C2)cc1OC ZINC000072138854 522164450 /nfs/dbraw/zinc/16/44/50/522164450.db2.gz NFYGJIKZWMKPJB-INIZCTEOSA-N 1 3 361.486 1.660 10 0 FDAEHO C[NH+](C)CCNC(=O)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255802 522795699 /nfs/dbraw/zinc/79/56/99/522795699.db2.gz PEJQMXJIZNENDE-SFHVURJKSA-N 1 3 353.470 1.524 10 0 FDAEHO CCN1CCN(C[C@@H](C)CNC(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000173998169 524501156 /nfs/dbraw/zinc/50/11/56/524501156.db2.gz CCSYVEAMDZQCQM-ZWKOTPCHSA-N 1 3 355.571 1.536 10 0 FDAEHO CCN1CCN(Cc2ccc(CNC(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000170829363 525726081 /nfs/dbraw/zinc/72/60/81/525726081.db2.gz FACOUHBNRSLXIA-HXUWFJFHSA-N 1 3 373.545 1.670 10 0 FDAEHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000182896459 535882986 /nfs/dbraw/zinc/88/29/86/535882986.db2.gz WZXVMCXULQEJCY-OALUTQOASA-N 1 3 358.486 1.243 10 0 FDAEHO O=C(NCc1ccccc1CN1CC[C@H](O)C1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000182896459 535882989 /nfs/dbraw/zinc/88/29/89/535882989.db2.gz WZXVMCXULQEJCY-OALUTQOASA-N 1 3 358.486 1.243 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000184833751 536186701 /nfs/dbraw/zinc/18/67/01/536186701.db2.gz JFBCUQDFMRCKJR-KRWDZBQOSA-N 1 3 354.539 1.453 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246416014 536949438 /nfs/dbraw/zinc/94/94/38/536949438.db2.gz LIUKYJMKZAFTRS-ZWKOTPCHSA-N 1 3 354.539 1.500 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000246416014 536949434 /nfs/dbraw/zinc/94/94/34/536949434.db2.gz LIUKYJMKZAFTRS-ZWKOTPCHSA-N 1 3 354.539 1.500 10 0 FDAEHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)CC1=O ZINC000246480209 536962774 /nfs/dbraw/zinc/96/27/74/536962774.db2.gz ROSVXBSDAHRMGR-KZNAEPCWSA-N 1 3 366.550 1.412 10 0 FDAEHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CC(C)C)CN(C)C)CC1=O ZINC000246480209 536962778 /nfs/dbraw/zinc/96/27/78/536962778.db2.gz ROSVXBSDAHRMGR-KZNAEPCWSA-N 1 3 366.550 1.412 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000248446584 537183472 /nfs/dbraw/zinc/18/34/72/537183472.db2.gz GBZKZFWWZCJFRV-SJORKVTESA-N 1 3 354.539 1.453 10 0 FDAEHO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248464100 537185643 /nfs/dbraw/zinc/18/56/43/537185643.db2.gz ZGUXULKDVKIPLA-WOJBJXKFSA-N 1 3 374.529 1.879 10 0 FDAEHO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000248464100 537185645 /nfs/dbraw/zinc/18/56/45/537185645.db2.gz ZGUXULKDVKIPLA-WOJBJXKFSA-N 1 3 374.529 1.879 10 0 FDAEHO O=C(NCCCN1CCc2ccccc2C1)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000192801825 537233553 /nfs/dbraw/zinc/23/35/53/537233553.db2.gz NWXWDKWGCIFMKJ-HXUWFJFHSA-N 1 3 374.529 1.581 10 0 FDAEHO CC1CC[NH+](CCCCNC(=O)NC[C@H](O)CN2CCCCC2)CC1 ZINC000193476421 537248891 /nfs/dbraw/zinc/24/88/91/537248891.db2.gz ZLVLYWXTVXQEJJ-SFHVURJKSA-N 1 3 354.539 1.645 10 0 FDAEHO CN1CCC(NC(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000173382007 258297513 /nfs/dbraw/zinc/29/75/13/258297513.db2.gz WONQFRZILNQXPR-FQEVSTJZSA-N 1 3 374.529 1.825 10 0 FDAEHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091845908 172289373 /nfs/dbraw/zinc/28/93/73/172289373.db2.gz ODJQFWCRYDRDOY-MSOLQXFVSA-N 1 3 353.555 1.528 10 0 FDAEHO O=C(NC[C@@H](O)CN1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000176019708 174044829 /nfs/dbraw/zinc/04/48/29/174044829.db2.gz ZZIKVDDVTCHEQN-GOSISDBHSA-N 1 3 352.523 1.539 10 0 FDAEHO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000180128895 258362753 /nfs/dbraw/zinc/36/27/53/258362753.db2.gz CTRARORBVJNMKP-SFHVURJKSA-N 1 3 355.490 1.398 10 0 FDAEHO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(N2CCN(C)CC2)nc1 ZINC000180128895 258362754 /nfs/dbraw/zinc/36/27/54/258362754.db2.gz CTRARORBVJNMKP-SFHVURJKSA-N 1 3 355.490 1.398 10 0 FDAEHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](Cc2ccccc2)N(C)C)CC1 ZINC000112921735 524598636 /nfs/dbraw/zinc/59/86/36/524598636.db2.gz IZUXOHUFXBFYCV-QUCCMNQESA-N 1 3 360.546 1.549 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185592804 536213217 /nfs/dbraw/zinc/21/32/17/536213217.db2.gz CJGNMFATBWDEAF-GOSISDBHSA-N 1 3 367.582 1.822 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000185592804 536213218 /nfs/dbraw/zinc/21/32/18/536213218.db2.gz CJGNMFATBWDEAF-GOSISDBHSA-N 1 3 367.582 1.822 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185892763 536220449 /nfs/dbraw/zinc/22/04/49/536220449.db2.gz RPZKJJHMNPYWNO-QZTJIDSGSA-N 1 3 353.555 1.432 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000185892763 536220450 /nfs/dbraw/zinc/22/04/50/536220450.db2.gz RPZKJJHMNPYWNO-QZTJIDSGSA-N 1 3 353.555 1.432 10 0 FDAEHO C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CN1Cc1ccccc1 ZINC000246521153 536972291 /nfs/dbraw/zinc/97/22/91/536972291.db2.gz KOQIMZYEMMTRHM-MISYRCLQSA-N 1 3 374.529 1.795 10 0 FDAEHO C[C@@H]1CCN(C(=O)C(C)(C)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000382726212 537758460 /nfs/dbraw/zinc/75/84/60/537758460.db2.gz TXUXBGLQXWDBME-GOSISDBHSA-N 1 3 358.530 1.793 10 0 FDAEHO CN(C)CCOc1cc(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)ccn1 ZINC000262793293 178801983 /nfs/dbraw/zinc/80/19/83/178801983.db2.gz OLNGPLZLCCENRR-MRXNPFEDSA-N 1 3 372.473 1.073 10 0 FDAEHO C[N@H+](C[C@H](O)Cn1cccn1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171638875 258267400 /nfs/dbraw/zinc/26/74/00/258267400.db2.gz YKZWUWRXTLAUIS-LEWJYISDSA-N 1 3 372.513 1.621 10 0 FDAEHO C[N@@H+](C[C@H](O)Cn1cccn1)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000171638875 258267401 /nfs/dbraw/zinc/26/74/01/258267401.db2.gz YKZWUWRXTLAUIS-LEWJYISDSA-N 1 3 372.513 1.621 10 0 FDAEHO CN(C)[C@@H]1CCN(C(=O)c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000170859862 258265416 /nfs/dbraw/zinc/26/54/16/258265416.db2.gz DEOLNIRPWVVRMF-QZTJIDSGSA-N 1 3 358.486 1.239 10 0 FDAEHO CCN1CCC[C@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000074496589 172082175 /nfs/dbraw/zinc/08/21/75/172082175.db2.gz NEDDHKQKJQQDID-ROUUACIJSA-N 1 3 351.539 1.282 10 0 FDAEHO CCN1CCC[C@H]1CNC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000074496589 172082178 /nfs/dbraw/zinc/08/21/78/172082178.db2.gz NEDDHKQKJQQDID-ROUUACIJSA-N 1 3 351.539 1.282 10 0 FDAEHO CN1CCN([C@@H]2CCCCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000091845067 172288882 /nfs/dbraw/zinc/28/88/82/172288882.db2.gz AGRAGFITPBYNKN-LJQANCHMSA-N 1 3 363.550 1.425 10 0 FDAEHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091855141 172289832 /nfs/dbraw/zinc/28/98/32/172289832.db2.gz RNSHHUDHSLSHKO-MOPGFXCFSA-N 1 3 365.566 1.672 10 0 FDAEHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091855141 172289834 /nfs/dbraw/zinc/28/98/34/172289834.db2.gz RNSHHUDHSLSHKO-MOPGFXCFSA-N 1 3 365.566 1.672 10 0 FDAEHO Cc1ccc(NC(=O)N2CCO[C@@H](CN(C)C)C2)c(OCC[NH+](C)C)c1 ZINC000181214140 174211953 /nfs/dbraw/zinc/21/19/53/174211953.db2.gz GQHKMTVHUZEGIQ-INIZCTEOSA-N 1 3 364.490 1.730 10 0 FDAEHO C[NH+](C)C[C@@H]1CN(C(=O)CCCN2CCN(c3ccccc3)CC2)CCO1 ZINC000116791116 525219047 /nfs/dbraw/zinc/21/90/47/525219047.db2.gz ACJHIFAJWQPULE-HXUWFJFHSA-N 1 3 374.529 1.378 10 0 FDAEHO CC(C)[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[NH+]1CCC(C)CC1 ZINC000117031429 525271898 /nfs/dbraw/zinc/27/18/98/525271898.db2.gz VWPNODAPOQOQKI-ROUUACIJSA-N 1 3 354.539 1.715 10 0 FDAEHO CN(C)[C@@H]1CCN(C(=O)C2CCC(C(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000170858441 525742055 /nfs/dbraw/zinc/74/20/55/525742055.db2.gz IWRLAQMVRRGHJV-OPQOLIRYSA-N 1 3 364.534 1.118 10 0 FDAEHO Cc1nccn1CCCC[NH+]1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000120778380 526180183 /nfs/dbraw/zinc/18/01/83/526180183.db2.gz LMPSXFUHQRFNPW-HXUWFJFHSA-N 1 3 363.550 1.699 10 0 FDAEHO CCCN1CCC([N@H+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000171940401 526187336 /nfs/dbraw/zinc/18/73/36/526187336.db2.gz IFSSGVCVWNEYTC-INIZCTEOSA-N 1 3 359.470 1.450 10 0 FDAEHO CCCN1CCC([N@@H+](C)C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000171940401 526187344 /nfs/dbraw/zinc/18/73/44/526187344.db2.gz IFSSGVCVWNEYTC-INIZCTEOSA-N 1 3 359.470 1.450 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246947760 537056935 /nfs/dbraw/zinc/05/69/35/537056935.db2.gz CNQOSTVULDLXDT-KSZLIROESA-N 1 3 354.539 1.717 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCO[C@@H](CN(C)C)C2)C1 ZINC000246947760 537056938 /nfs/dbraw/zinc/05/69/38/537056938.db2.gz CNQOSTVULDLXDT-KSZLIROESA-N 1 3 354.539 1.717 10 0 FDAEHO C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390238 537176085 /nfs/dbraw/zinc/17/60/85/537176085.db2.gz BISYRELADHUSMW-BQFCYCMXSA-N 1 3 352.523 1.611 10 0 FDAEHO C[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390238 537176086 /nfs/dbraw/zinc/17/60/86/537176086.db2.gz BISYRELADHUSMW-BQFCYCMXSA-N 1 3 352.523 1.611 10 0 FDAEHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H](O)CN1CCCCC1 ZINC000192800072 537233182 /nfs/dbraw/zinc/23/31/82/537233182.db2.gz LRURGBYPRGFARH-FQEVSTJZSA-N 1 3 374.529 1.928 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000249516681 537237026 /nfs/dbraw/zinc/23/70/26/537237026.db2.gz FYFSAEXKVNJQEA-CEXWTWQISA-N 1 3 368.566 1.891 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](O)CN2CCCCC2)C1 ZINC000249516681 537237028 /nfs/dbraw/zinc/23/70/28/537237028.db2.gz FYFSAEXKVNJQEA-CEXWTWQISA-N 1 3 368.566 1.891 10 0 FDAEHO CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000194142587 537259323 /nfs/dbraw/zinc/25/93/23/537259323.db2.gz OQKQHSPPFJWYQZ-FQEVSTJZSA-N 1 3 373.545 1.718 10 0 FDAEHO CC[N@H+]1CCC[C@H](NC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1 ZINC000194142587 537259324 /nfs/dbraw/zinc/25/93/24/537259324.db2.gz OQKQHSPPFJWYQZ-FQEVSTJZSA-N 1 3 373.545 1.718 10 0 FDAEHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CCNCC1 ZINC000390954268 537768832 /nfs/dbraw/zinc/76/88/32/537768832.db2.gz RQHUKWFXVANJGY-IHWFROFDSA-N 1 3 370.541 1.982 10 0 FDAEHO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCNCC1 ZINC000390954268 537768837 /nfs/dbraw/zinc/76/88/37/537768837.db2.gz RQHUKWFXVANJGY-IHWFROFDSA-N 1 3 370.541 1.982 10 0 FDAEHO O=C(CNC[C@@H]1CCCO1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000261827830 571023463 /nfs/dbraw/zinc/02/34/63/571023463.db2.gz ABBBTOINPAGSGP-IRXDYDNUSA-N 1 3 363.527 1.987 10 0 FDAEHO O=C(CNC[C@@H]1CCCO1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261827826 571023499 /nfs/dbraw/zinc/02/34/99/571023499.db2.gz ABBBTOINPAGSGP-DLBZAZTESA-N 1 3 363.527 1.987 10 0 FDAEHO CC[NH+](CC)[C@@H](C)CNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091845906 172289388 /nfs/dbraw/zinc/28/93/88/172289388.db2.gz ODJQFWCRYDRDOY-ROUUACIJSA-N 1 3 353.555 1.528 10 0 FDAEHO CN(C)C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000117027632 172687567 /nfs/dbraw/zinc/68/75/67/172687567.db2.gz CFJNEQISLZKVBC-LJQANCHMSA-N 1 3 360.502 1.754 10 0 FDAEHO C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000111875334 524369075 /nfs/dbraw/zinc/36/90/75/524369075.db2.gz KFROIRSMIBIMRH-IEBWSBKVSA-N 1 3 362.518 1.653 10 0 FDAEHO CC[N@H+](CCNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)C1CC1 ZINC000114594083 524837108 /nfs/dbraw/zinc/83/71/08/524837108.db2.gz QYTTWFIJBBCKJI-UHFFFAOYSA-N 1 3 374.533 1.459 10 0 FDAEHO CC[N@@H+](CCNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)C1CC1 ZINC000114594083 524837115 /nfs/dbraw/zinc/83/71/15/524837115.db2.gz QYTTWFIJBBCKJI-UHFFFAOYSA-N 1 3 374.533 1.459 10 0 FDAEHO CCC(CC)[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[NH+]1CCCC1 ZINC000117029534 525270915 /nfs/dbraw/zinc/27/09/15/525270915.db2.gz IUGGRMGHSTXPLD-ROUUACIJSA-N 1 3 354.539 1.859 10 0 FDAEHO C[C@H](CN(C)Cc1ccccc1)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000181061738 525802384 /nfs/dbraw/zinc/80/23/84/525802384.db2.gz HEJDXPANFAIXOY-MJGOQNOKSA-N 1 3 362.518 1.653 10 0 FDAEHO CCN1CCC[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000108562020 525988661 /nfs/dbraw/zinc/98/86/61/525988661.db2.gz COJOSRHCRRZSQQ-ROUUACIJSA-N 1 3 351.539 1.282 10 0 FDAEHO CCN1CCC[C@H](NC(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000108562020 525988666 /nfs/dbraw/zinc/98/86/66/525988666.db2.gz COJOSRHCRRZSQQ-ROUUACIJSA-N 1 3 351.539 1.282 10 0 FDAEHO CC(C)CN1CCN(c2nc(CC[NH3+])nc3ccccc32)C[C@H]1CCO ZINC000106275053 535107726 /nfs/dbraw/zinc/10/77/26/535107726.db2.gz ODKSSHGONRCWBF-MRXNPFEDSA-N 1 3 357.502 1.660 10 0 FDAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184605198 536168818 /nfs/dbraw/zinc/16/88/18/536168818.db2.gz RPHJYIYROYXENT-AQNXPRMDSA-N 1 3 358.530 1.964 10 0 FDAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC000184605198 536168821 /nfs/dbraw/zinc/16/88/21/536168821.db2.gz RPHJYIYROYXENT-AQNXPRMDSA-N 1 3 358.530 1.964 10 0 FDAEHO Cc1ccc(CN(CCN(C)C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)o1 ZINC000262829398 536913629 /nfs/dbraw/zinc/91/36/29/536913629.db2.gz RXLVXAULBVFHAC-INIZCTEOSA-N 1 3 359.474 1.913 10 0 FDAEHO CN1CC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000248129077 537167558 /nfs/dbraw/zinc/16/75/58/537167558.db2.gz WFOPHNCNGOOXHV-QYZOEREBSA-N 1 3 360.502 1.578 10 0 FDAEHO O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@H](c1ccccc1)N1CCCC1 ZINC000192798328 537233199 /nfs/dbraw/zinc/23/31/99/537233199.db2.gz YCTKFGGKGPYFQS-VQTJNVASSA-N 1 3 374.529 1.970 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000194453743 537282119 /nfs/dbraw/zinc/28/21/19/537282119.db2.gz UHSXEZYFPPDVRH-OALUTQOASA-N 1 3 360.502 1.481 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000194453743 537282123 /nfs/dbraw/zinc/28/21/23/537282123.db2.gz UHSXEZYFPPDVRH-OALUTQOASA-N 1 3 360.502 1.481 10 0 FDAEHO C[C@H](CNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000091854876 172289618 /nfs/dbraw/zinc/28/96/18/172289618.db2.gz RTIPASHPRJZTCE-SJLPKXTDSA-N 1 3 351.539 1.281 10 0 FDAEHO C[C@H](CNC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000091854876 172289619 /nfs/dbraw/zinc/28/96/19/172289619.db2.gz RTIPASHPRJZTCE-SJLPKXTDSA-N 1 3 351.539 1.281 10 0 FDAEHO C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000181323176 174217299 /nfs/dbraw/zinc/21/72/99/174217299.db2.gz JDZNBQLGRRFASX-KRWDZBQOSA-N 1 3 362.518 1.917 10 0 FDAEHO CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000181657113 174239391 /nfs/dbraw/zinc/23/93/91/174239391.db2.gz FUHFBAQSBMOPMG-LPHOPBHVSA-N 1 3 362.518 1.783 10 0 FDAEHO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CC)CC1 ZINC000173894592 258313799 /nfs/dbraw/zinc/31/37/99/258313799.db2.gz MLWAJVUEPZTPJT-RBUKOAKNSA-N 1 3 365.566 1.672 10 0 FDAEHO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CC)CC1 ZINC000173894592 258313800 /nfs/dbraw/zinc/31/38/00/258313800.db2.gz MLWAJVUEPZTPJT-RBUKOAKNSA-N 1 3 365.566 1.672 10 0 FDAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CC)CC1 ZINC000173894580 258313869 /nfs/dbraw/zinc/31/38/69/258313869.db2.gz MLWAJVUEPZTPJT-RTBURBONSA-N 1 3 365.566 1.672 10 0 FDAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CCN(CC)CC1 ZINC000173894580 258313870 /nfs/dbraw/zinc/31/38/70/258313870.db2.gz MLWAJVUEPZTPJT-RTBURBONSA-N 1 3 365.566 1.672 10 0 FDAEHO C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111689423 524326047 /nfs/dbraw/zinc/32/60/47/524326047.db2.gz AJPUXSQBDPXTOX-HXUWFJFHSA-N 1 3 359.514 1.814 10 0 FDAEHO C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000111689423 524326055 /nfs/dbraw/zinc/32/60/55/524326055.db2.gz AJPUXSQBDPXTOX-HXUWFJFHSA-N 1 3 359.514 1.814 10 0 FDAEHO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000152381696 524865389 /nfs/dbraw/zinc/86/53/89/524865389.db2.gz POEWWPKHWTWYFP-MSOLQXFVSA-N 1 3 354.539 1.859 10 0 FDAEHO CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000152381696 524865401 /nfs/dbraw/zinc/86/54/01/524865401.db2.gz POEWWPKHWTWYFP-MSOLQXFVSA-N 1 3 354.539 1.859 10 0 FDAEHO C[NH+](C)C[C@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCO1 ZINC000117026011 525270583 /nfs/dbraw/zinc/27/05/83/525270583.db2.gz AZTDMZGCHPPQSL-JKSUJKDBSA-N 1 3 366.531 1.857 10 0 FDAEHO CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCN3CCCC[C@H]3C2)CC1 ZINC000247198276 537093116 /nfs/dbraw/zinc/09/31/16/537093116.db2.gz UDGQMLMTNMPXHH-ROUUACIJSA-N 1 3 351.539 1.140 10 0 FDAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190348142 537166839 /nfs/dbraw/zinc/16/68/39/537166839.db2.gz HEUHFJGKIHNFHA-QZTJIDSGSA-N 1 3 358.486 1.772 10 0 FDAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(CN(C)C)c1 ZINC000190348142 537166841 /nfs/dbraw/zinc/16/68/41/537166841.db2.gz HEUHFJGKIHNFHA-QZTJIDSGSA-N 1 3 358.486 1.772 10 0 FDAEHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091854613 172289290 /nfs/dbraw/zinc/28/92/90/172289290.db2.gz IIVOZGJMINRPPM-ROUUACIJSA-N 1 3 353.555 1.528 10 0 FDAEHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091854613 172289292 /nfs/dbraw/zinc/28/92/92/172289292.db2.gz IIVOZGJMINRPPM-ROUUACIJSA-N 1 3 353.555 1.528 10 0 FDAEHO CN1CCN([C@@H]2CCCCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000091846680 172289940 /nfs/dbraw/zinc/28/99/40/172289940.db2.gz ABTPOYSMZAWJTF-IEBWSBKVSA-N 1 3 363.550 1.282 10 0 FDAEHO CN1CCN([C@@H]2CCCCN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000091846680 172289941 /nfs/dbraw/zinc/28/99/41/172289941.db2.gz ABTPOYSMZAWJTF-IEBWSBKVSA-N 1 3 363.550 1.282 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000178609825 258330040 /nfs/dbraw/zinc/33/00/40/258330040.db2.gz TVNUGFKYZBVIIK-MSOLQXFVSA-N 1 3 373.541 1.984 10 0 FDAEHO C[N@H+](C[C@H](O)COc1cccc(CNC(CO)CO)c1)C1CCCCC1 ZINC000012208058 518597273 /nfs/dbraw/zinc/59/72/73/518597273.db2.gz UNNPQEPSENSPCE-IBGZPJMESA-N 1 3 366.502 1.134 10 0 FDAEHO C[N@@H+](C[C@H](O)COc1cccc(CNC(CO)CO)c1)C1CCCCC1 ZINC000012208058 518597277 /nfs/dbraw/zinc/59/72/77/518597277.db2.gz UNNPQEPSENSPCE-IBGZPJMESA-N 1 3 366.502 1.134 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000158007275 524382678 /nfs/dbraw/zinc/38/26/78/524382678.db2.gz LSTYDESPKIKHLR-ROUUACIJSA-N 1 3 353.555 1.432 10 0 FDAEHO CCN1CCN(CCCCNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)CC1 ZINC000158007275 524382684 /nfs/dbraw/zinc/38/26/84/524382684.db2.gz LSTYDESPKIKHLR-ROUUACIJSA-N 1 3 353.555 1.432 10 0 FDAEHO C[C@@H](CNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[N@H+](C)C1CC1 ZINC000114595851 524839284 /nfs/dbraw/zinc/83/92/84/524839284.db2.gz GMHJYRCCRYYWRZ-INIZCTEOSA-N 1 3 374.533 1.458 10 0 FDAEHO C[C@@H](CNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1)[N@@H+](C)C1CC1 ZINC000114595851 524839291 /nfs/dbraw/zinc/83/92/91/524839291.db2.gz GMHJYRCCRYYWRZ-INIZCTEOSA-N 1 3 374.533 1.458 10 0 FDAEHO CCO[C@@H]1C[C@H]([NH2+]CCCCN2CCN(CC)CC2)C12CCOCC2 ZINC000186243215 536229814 /nfs/dbraw/zinc/22/98/14/536229814.db2.gz JOPXXUFPQCPAEN-RBUKOAKNSA-N 1 3 353.551 1.968 10 0 FDAEHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CC(C)C)CN(C)C)CC1=O ZINC000246480236 536962530 /nfs/dbraw/zinc/96/25/30/536962530.db2.gz ROSVXBSDAHRMGR-OKZBNKHCSA-N 1 3 366.550 1.412 10 0 FDAEHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CC(C)C)CN(C)C)CC1=O ZINC000246480236 536962532 /nfs/dbraw/zinc/96/25/32/536962532.db2.gz ROSVXBSDAHRMGR-OKZBNKHCSA-N 1 3 366.550 1.412 10 0 FDAEHO CC(C)[C@@H](CNC(=O)NC[C@@H](O)CN1CCCCC1)[NH+]1CCC(C)CC1 ZINC000192800574 537233230 /nfs/dbraw/zinc/23/32/30/537233230.db2.gz HOOLDJRJUUSBFB-RTBURBONSA-N 1 3 368.566 1.889 10 0 FDAEHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000192801967 537233480 /nfs/dbraw/zinc/23/34/80/537233480.db2.gz OYTZIKAUQMSMKI-UXHICEINSA-N 1 3 374.529 1.970 10 0 FDAEHO CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091854612 172289656 /nfs/dbraw/zinc/28/96/56/172289656.db2.gz IIVOZGJMINRPPM-MSOLQXFVSA-N 1 3 353.555 1.528 10 0 FDAEHO CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000091854612 172289658 /nfs/dbraw/zinc/28/96/58/172289658.db2.gz IIVOZGJMINRPPM-MSOLQXFVSA-N 1 3 353.555 1.528 10 0 FDAEHO C[C@@H](CCNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000175632902 174015914 /nfs/dbraw/zinc/01/59/14/174015914.db2.gz LNFNBMNEZADDGL-HKUYNNGSSA-N 1 3 362.518 1.869 10 0 FDAEHO C[C@@H](CCNC(=O)N1CCO[C@@H](CN(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175632902 174015916 /nfs/dbraw/zinc/01/59/16/174015916.db2.gz LNFNBMNEZADDGL-HKUYNNGSSA-N 1 3 362.518 1.869 10 0 FDAEHO CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000177687642 174151361 /nfs/dbraw/zinc/15/13/61/174151361.db2.gz URYPYAQPNCLKSH-GOSISDBHSA-N 1 3 358.486 1.774 10 0 FDAEHO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117030309 525270157 /nfs/dbraw/zinc/27/01/57/525270157.db2.gz JAVHMGKAGPTCTQ-LJQANCHMSA-N 1 3 362.518 1.999 10 0 FDAEHO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000117030309 525270160 /nfs/dbraw/zinc/27/01/60/525270160.db2.gz JAVHMGKAGPTCTQ-LJQANCHMSA-N 1 3 362.518 1.999 10 0 FDAEHO CCC(CC)[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)[NH+]1CCCC1 ZINC000117029532 525270848 /nfs/dbraw/zinc/27/08/48/525270848.db2.gz IUGGRMGHSTXPLD-ZWKOTPCHSA-N 1 3 354.539 1.859 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117032733 525273029 /nfs/dbraw/zinc/27/30/29/525273029.db2.gz CNQOSTVULDLXDT-FGTMMUONSA-N 1 3 354.539 1.717 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCO[C@H](CN(C)C)C2)C1 ZINC000117032733 525273035 /nfs/dbraw/zinc/27/30/35/525273035.db2.gz CNQOSTVULDLXDT-FGTMMUONSA-N 1 3 354.539 1.717 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000106125731 525620611 /nfs/dbraw/zinc/62/06/11/525620611.db2.gz BSRQROSIVJKVAC-GJZGRUSLSA-N 1 3 353.532 1.777 10 0 FDAEHO C[NH+](C)[C@H]1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000170829927 525727360 /nfs/dbraw/zinc/72/73/60/525727360.db2.gz GXJCROOQDZOXTK-FQEVSTJZSA-N 1 3 373.545 1.540 10 0 FDAEHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000184711535 536177869 /nfs/dbraw/zinc/17/78/69/536177869.db2.gz DMBJRDIKHTXJLE-KRWDZBQOSA-N 1 3 368.566 1.985 10 0 FDAEHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246322712 536927194 /nfs/dbraw/zinc/92/71/94/536927194.db2.gz OBZDGTPMKZTGRW-RCCFBDPRSA-N 1 3 351.539 1.138 10 0 FDAEHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000246322712 536927198 /nfs/dbraw/zinc/92/71/98/536927198.db2.gz OBZDGTPMKZTGRW-RCCFBDPRSA-N 1 3 351.539 1.138 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000246770413 537022835 /nfs/dbraw/zinc/02/28/35/537022835.db2.gz ORUNVKFMPTVQBW-HZPDHXFCSA-N 1 3 367.559 1.820 10 0 FDAEHO C[C@H](CNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)N1CCC[C@H](C)C1 ZINC000248465094 537185756 /nfs/dbraw/zinc/18/57/56/537185756.db2.gz YZKRDCXCSUBQKF-KSZLIROESA-N 1 3 368.566 1.841 10 0 FDAEHO COc1ccc2nccc(NCCCCCC[NH+](CCO)CCO)c2c1 ZINC000584603062 551523848 /nfs/dbraw/zinc/52/38/48/551523848.db2.gz KEBNLVJFLXLURK-UHFFFAOYSA-N 1 3 361.486 1.924 10 0 FDAEHO CCN1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000192157998 178098210 /nfs/dbraw/zinc/09/82/10/178098210.db2.gz KUFRYTFWSISSFQ-GOSISDBHSA-N 1 3 351.539 1.140 10 0 FDAEHO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000246054805 178398130 /nfs/dbraw/zinc/39/81/30/178398130.db2.gz QMXKEMFLLIOLJA-IEBWSBKVSA-N 1 3 351.535 1.946 10 0 FDAEHO C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@H](O)CN2CCCC2=O)CC1 ZINC000246054805 178398132 /nfs/dbraw/zinc/39/81/32/178398132.db2.gz QMXKEMFLLIOLJA-IEBWSBKVSA-N 1 3 351.535 1.946 10 0 FDAEHO CC(C)C[C@H](CN(C)C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077570033 172128498 /nfs/dbraw/zinc/12/84/98/172128498.db2.gz RDHDJNDJOFEYMZ-SJLPKXTDSA-N 1 3 354.539 1.763 10 0 FDAEHO CCN1CCC[C@H](NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)C1 ZINC000051777733 523072724 /nfs/dbraw/zinc/07/27/24/523072724.db2.gz ABLUJDCYFMWMBN-KRWDZBQOSA-N 1 3 351.539 1.329 10 0 FDAEHO c1ncn([C@H]2CCCN(CCCC[N@@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157909734 524365858 /nfs/dbraw/zinc/36/58/58/524365858.db2.gz FOSYWWXYGVOUDA-ROUUACIJSA-N 1 3 358.494 1.624 10 0 FDAEHO c1ncn([C@H]2CCCN(CCCC[N@H+]3CCC[C@H](n4cncn4)C3)C2)n1 ZINC000157909734 524365860 /nfs/dbraw/zinc/36/58/60/524365860.db2.gz FOSYWWXYGVOUDA-ROUUACIJSA-N 1 3 358.494 1.624 10 0 FDAEHO C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CC[C@H](C[NH+](C)C)C1 ZINC000114477533 524817980 /nfs/dbraw/zinc/81/79/80/524817980.db2.gz VUIIZLIFRWMQMF-RLLQIKCJSA-N 1 3 358.530 1.649 10 0 FDAEHO O=C(NCCCCC[NH+]1CCCCC1)NC[C@H](O)CN1CCCCC1 ZINC000161600339 525135082 /nfs/dbraw/zinc/13/50/82/525135082.db2.gz HHGIRLLEPLITEU-SFHVURJKSA-N 1 3 354.539 1.789 10 0 FDAEHO CC[NH+](CC)[C@H](C)CNC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109393660 526120799 /nfs/dbraw/zinc/12/07/99/526120799.db2.gz GJRBHBCDLRKHQO-QGZVFWFLSA-N 1 3 364.538 1.719 10 0 FDAEHO CN(C)C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000246220886 536902916 /nfs/dbraw/zinc/90/29/16/536902916.db2.gz POCIKNJISYDUBU-FQEVSTJZSA-N 1 3 360.546 1.979 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000247458853 537120627 /nfs/dbraw/zinc/12/06/27/537120627.db2.gz UFEOOXPBHPROEM-KURKYZTESA-N 1 3 353.555 1.288 10 0 FDAEHO CCN1CCN(C[C@H](C)CNC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)CC1 ZINC000247458853 537120632 /nfs/dbraw/zinc/12/06/32/537120632.db2.gz UFEOOXPBHPROEM-KURKYZTESA-N 1 3 353.555 1.288 10 0 FDAEHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000247774732 537149326 /nfs/dbraw/zinc/14/93/26/537149326.db2.gz QGCFUFFNFIEMTM-HZPDHXFCSA-N 1 3 365.493 1.855 10 0 FDAEHO CN1CC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000248129070 537167388 /nfs/dbraw/zinc/16/73/88/537167388.db2.gz WFOPHNCNGOOXHV-CEXWTWQISA-N 1 3 360.502 1.578 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000193476528 537249081 /nfs/dbraw/zinc/24/90/81/537249081.db2.gz FYFSAEXKVNJQEA-OTWHNJEPSA-N 1 3 368.566 1.891 10 0 FDAEHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](O)CN2CCCCC2)C1 ZINC000193476528 537249083 /nfs/dbraw/zinc/24/90/83/537249083.db2.gz FYFSAEXKVNJQEA-OTWHNJEPSA-N 1 3 368.566 1.891 10 0 FDAEHO CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000195285265 178253379 /nfs/dbraw/zinc/25/33/79/178253379.db2.gz RLJOLNFQFSTVMG-AZUAARDMSA-N 1 3 373.545 1.388 10 0 FDAEHO CCN1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)CC1 ZINC000195285265 178253382 /nfs/dbraw/zinc/25/33/82/178253382.db2.gz RLJOLNFQFSTVMG-AZUAARDMSA-N 1 3 373.545 1.388 10 0 FDAEHO CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000091846753 172290051 /nfs/dbraw/zinc/29/00/51/172290051.db2.gz OQFDFYTZFPUPQX-RBUKOAKNSA-N 1 3 367.582 1.774 10 0 FDAEHO CN(C)C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000121440340 524259590 /nfs/dbraw/zinc/25/95/90/524259590.db2.gz QDLYJPIKRXSHQD-IBGZPJMESA-N 1 3 361.534 1.615 10 0 FDAEHO C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)N(C)Cc1ccccc1 ZINC000111875331 524369007 /nfs/dbraw/zinc/36/90/07/524369007.db2.gz KFROIRSMIBIMRH-PKOBYXMFSA-N 1 3 362.518 1.653 10 0 FDAEHO CN(CC(=O)N1CCCC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000155109503 525745847 /nfs/dbraw/zinc/74/58/47/525745847.db2.gz HVHCMYVSQQNGEL-HXUWFJFHSA-N 1 3 359.514 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CCN1CCC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000174233476 524531739 /nfs/dbraw/zinc/53/17/39/524531739.db2.gz IOYUVAKYBNSARE-KRWDZBQOSA-N 1 3 352.523 1.757 10 0 FDAEHO CC[NH+](CC)CCNC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000114581816 524833488 /nfs/dbraw/zinc/83/34/88/524833488.db2.gz ZBWTXNMSFDZZCF-UHFFFAOYSA-N 1 3 362.522 1.317 10 0 FDAEHO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCO[C@H](CN(C)C)C2)CC1 ZINC000117030165 525269300 /nfs/dbraw/zinc/26/93/00/525269300.db2.gz UFARLHIQDLHUAL-HXUWFJFHSA-N 1 3 374.529 1.931 10 0 FDAEHO CN(C)C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000117030355 525269410 /nfs/dbraw/zinc/26/94/10/525269410.db2.gz AKYOUSWHJDZULL-SFHVURJKSA-N 1 3 364.490 1.099 10 0 FDAEHO CCN1CCCC[C@H]1CNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000181744102 525916593 /nfs/dbraw/zinc/91/65/93/525916593.db2.gz YHTMAXCZVLUCGX-AEFFLSMTSA-N 1 3 354.539 1.595 10 0 FDAEHO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000182896132 535883592 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