smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+]CCc2cscn2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000011946007 204363567 /nfs/dbraw/zinc/36/35/67/204363567.db2.gz OQJKVKMXSWWNOS-SFHVURJKSA-N 2 0 391.537 2.320 50 0 GEAARP COC[C@@H](C)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012202169 204382255 /nfs/dbraw/zinc/38/22/55/204382255.db2.gz GWSSTRQSJGFKJP-QGZVFWFLSA-N 2 0 377.529 2.198 50 0 GEAARP COc1cc(C[N@H+](C)CCn2ccnc2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000012317156 204394958 /nfs/dbraw/zinc/39/49/58/204394958.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 2 0 390.528 2.104 50 0 GEAARP COc1cc(C)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1C ZINC000039400596 205042432 /nfs/dbraw/zinc/04/24/32/205042432.db2.gz TVEHPLPBEKKMLQ-OAQYLSRUSA-N 2 0 375.557 2.275 50 0 GEAARP COc1cc(C[N@@H+]2C[C@H](O)[C@@H](OC(C)C)C2)ccc1OCC[NH+]1CCCC1 ZINC000063832565 205187957 /nfs/dbraw/zinc/18/79/57/205187957.db2.gz ZYCYBIOMWHRFPU-RXVVDRJESA-N 2 0 378.513 2.140 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000060348590 205181520 /nfs/dbraw/zinc/18/15/20/205181520.db2.gz AWMYCHKPJWXFCV-MRXNPFEDSA-N 2 0 375.485 2.001 50 0 GEAARP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071746115 205288123 /nfs/dbraw/zinc/28/81/23/205288123.db2.gz IQEHYTYLUSDNFN-NRFANRHFSA-N 2 0 386.584 2.083 50 0 GEAARP CCOC(=O)[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1ccccn1)C2 ZINC000072145978 205310030 /nfs/dbraw/zinc/31/00/30/205310030.db2.gz MMKZRVJKYAMBOZ-SYYKKAFVSA-N 2 0 387.524 2.338 50 0 GEAARP [NH3+][C@H]1CCN(C(=O)C2CC[NH+](C3CC[NH+](CCCc4ccccc4)CC3)CC2)C1 ZINC000082092988 205384892 /nfs/dbraw/zinc/38/48/92/205384892.db2.gz DIEYJYJULDEPKA-QFIPXVFZSA-N 3 0 398.595 2.355 50 0 GEAARP [NH3+]CCO[C@H]1C[C@@H](O)C12CC[NH+](C1CCN(c3ccccc3Cl)CC1)CC2 ZINC000092045902 136177617 /nfs/dbraw/zinc/17/76/17/136177617.db2.gz WKNRHONVWWCBEM-UXHICEINSA-N 2 0 393.959 2.500 50 0 GEAARP Cc1cccc(C[NH+]2CCC(c3nnc(CN4CC[NH+](C)CC4)n3C)CC2)c1 ZINC000096131762 570211010 /nfs/dbraw/zinc/21/10/10/570211010.db2.gz XANJNELYOXGEGU-UHFFFAOYSA-N 2 0 382.556 2.251 50 0 GEAARP CC(C)=CC[N@H+]1CCN(Cc2cccc(OCC[NH+](C)C)c2)C[C@@H]1CCO ZINC000020773824 570279889 /nfs/dbraw/zinc/27/98/89/570279889.db2.gz AGDXUJOKRDNERU-NRFANRHFSA-N 2 0 375.557 2.462 50 0 GEAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]Cc3ccccc3)c2)CC1 ZINC000020919761 570285006 /nfs/dbraw/zinc/28/50/06/570285006.db2.gz JHOXFASPJMFNOC-QFIPXVFZSA-N 2 0 383.536 2.354 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000012751688 570709731 /nfs/dbraw/zinc/70/97/31/570709731.db2.gz IQUGGQPTNVHIAE-SFHVURJKSA-N 2 0 377.529 2.365 50 0 GEAARP COc1ccc(C[NH2+]CCCn2cccn2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015080150 570879568 /nfs/dbraw/zinc/87/95/68/570879568.db2.gz IHASUCBLXBTXGO-IBGZPJMESA-N 2 0 390.528 2.152 50 0 GEAARP C[N@@H+]1CCCN(C[C@@H]2C[NH+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CO)CC1 ZINC000091518663 571011894 /nfs/dbraw/zinc/01/18/94/571011894.db2.gz YFOWGGWFTYFXKU-QZTJIDSGSA-N 2 0 385.474 2.383 50 0 GEAARP C[N@@H+]1CCN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@]12CCNC(=O)CC2 ZINC000091756054 571029736 /nfs/dbraw/zinc/02/97/36/571029736.db2.gz ZVDZWOVHMRWIGZ-FQEVSTJZSA-N 2 0 376.570 2.130 50 0 GEAARP COc1cc(C)c(C[N@@H+]2C[C@H](CO)[C@H](CN3CC[NH+](C)CC3)C2)cc1C(C)C ZINC000095361050 571054960 /nfs/dbraw/zinc/05/49/60/571054960.db2.gz PLMPOFCRJWRKCO-NHCUHLMSSA-N 2 0 389.584 2.415 50 0 GEAARP COc1ccc(C[NH+]2CCC(OC)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095496579 571073985 /nfs/dbraw/zinc/07/39/85/571073985.db2.gz AOXVKINZWCJVLN-GOSISDBHSA-N 2 0 380.529 2.386 50 0 GEAARP COc1ccc(C[N@H+](C)C2CCOCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095497076 571074477 /nfs/dbraw/zinc/07/44/77/571074477.db2.gz JRXGWNKBAJYAPS-LJQANCHMSA-N 2 0 378.513 2.142 50 0 GEAARP COc1ccc(C[N@H+](C)CC(C)(C)C)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095499476 571075320 /nfs/dbraw/zinc/07/53/20/571075320.db2.gz JVOIGOKLEWRWBA-IBGZPJMESA-N 2 0 393.572 2.160 50 0 GEAARP COc1cc(CN2CC[N@H+](C)C(C)(C)C2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095525280 571090213 /nfs/dbraw/zinc/09/02/13/571090213.db2.gz GRMYNGSXYFMCEN-LJQANCHMSA-N 2 0 391.556 2.057 50 0 GEAARP C[N@H+](CCCO)Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1 ZINC000095526262 571090430 /nfs/dbraw/zinc/09/04/30/571090430.db2.gz LSPSMHBMWQTBMR-JOCHJYFZSA-N 2 0 384.520 2.299 50 0 GEAARP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000095529060 571092208 /nfs/dbraw/zinc/09/22/08/571092208.db2.gz KHOOWBMTTOTEIT-FQEVSTJZSA-N 2 0 390.524 2.297 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCCn2ccnc2)ccc1OC ZINC000011935227 204362282 /nfs/dbraw/zinc/36/22/82/204362282.db2.gz ZDAOZYQYNBDRKH-IBGZPJMESA-N 2 0 390.528 2.153 50 0 GEAARP C[N@H+](CC1CC[NH+](C)CC1)C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012198233 204381100 /nfs/dbraw/zinc/38/11/00/204381100.db2.gz OAZOSSJWDHPADJ-OAQYLSRUSA-N 2 0 395.494 2.092 50 0 GEAARP O[C@H](COc1cccc(C[NH2+]CCc2cnccn2)c1)C[NH+]1CCCCCC1 ZINC000020542520 204725688 /nfs/dbraw/zinc/72/56/88/204725688.db2.gz OHVWRFIZDHWKCX-NRFANRHFSA-N 2 0 384.524 2.425 50 0 GEAARP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000058160798 205165819 /nfs/dbraw/zinc/16/58/19/205165819.db2.gz PCROPLYVPNGSAX-INIZCTEOSA-N 2 0 380.492 2.498 50 0 GEAARP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC3(C[C@H]2C(=O)[O-])CC[NH2+]CC3)cc1 ZINC000072120912 205305106 /nfs/dbraw/zinc/30/51/06/205305106.db2.gz DOSDBQXYHUFMFB-IBGZPJMESA-N 2 0 375.513 2.046 50 0 GEAARP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000082083663 205385692 /nfs/dbraw/zinc/38/56/92/205385692.db2.gz OHFCVGSSPWMTNG-NRFANRHFSA-N 3 0 398.595 2.008 50 0 GEAARP C[NH+]1CCN(C[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@H+](CCc3ccccc3)C2)CC1 ZINC000023352270 570355843 /nfs/dbraw/zinc/35/58/43/570355843.db2.gz XUNLVGGZMBBIIQ-DHIUTWEWSA-N 2 0 398.595 2.037 50 0 GEAARP Cc1c(C(=O)N2CCN(Cc3ccccc3)C(C)(C)C2)nnn1C1CC[NH2+]CC1 ZINC000237747813 570393687 /nfs/dbraw/zinc/39/36/87/570393687.db2.gz UVNHGKICELNARQ-UHFFFAOYSA-N 2 0 396.539 2.248 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014747516 570858942 /nfs/dbraw/zinc/85/89/42/570858942.db2.gz OARLJECWCOPVTQ-IOMROCGXSA-N 2 0 385.552 2.380 50 0 GEAARP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]2CCCO)CC1 ZINC000095366180 571058388 /nfs/dbraw/zinc/05/83/88/571058388.db2.gz UPRRLIREVATVSR-GGAORHGYSA-N 2 0 397.567 2.083 50 0 GEAARP COc1ccc(C[N@H+](C)C2CCOCC2)cc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095498189 571074937 /nfs/dbraw/zinc/07/49/37/571074937.db2.gz OAAFIPNZVZJSPZ-LJQANCHMSA-N 2 0 380.529 2.386 50 0 GEAARP CC[N@H+](CCO)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095503680 571077469 /nfs/dbraw/zinc/07/74/69/571077469.db2.gz OSYJOLRMAWPSEH-JOCHJYFZSA-N 2 0 384.520 2.299 50 0 GEAARP O[C@@H](COc1ccc(C[NH+]2CCC(O)CC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000095517000 571084414 /nfs/dbraw/zinc/08/44/14/571084414.db2.gz KWPOQVTTWISEKF-HSZRJFAPSA-N 2 0 396.531 2.441 50 0 GEAARP CC[N@@H+]1CCCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1 ZINC000095518926 571085676 /nfs/dbraw/zinc/08/56/76/571085676.db2.gz XCKZTTMFKSVJQH-HXUWFJFHSA-N 2 0 393.597 2.003 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccccn1 ZINC000011766276 204353426 /nfs/dbraw/zinc/35/34/26/204353426.db2.gz HRPFGCCQGAPISB-FQEVSTJZSA-N 2 0 388.556 2.367 50 0 GEAARP COc1ccc(C[NH2+]CC(C)(C)CO)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000011955977 204363709 /nfs/dbraw/zinc/36/37/09/204363709.db2.gz RGGGGEJNZQTPIH-GOSISDBHSA-N 2 0 380.529 2.029 50 0 GEAARP C[NH+]1CCC2(CC[N@H+](C[C@]3(O)CCCN(CCc4ccccc4)C3=O)C2)CC1 ZINC000067775001 205260489 /nfs/dbraw/zinc/26/04/89/205260489.db2.gz YRZVSKNOJKSKDZ-HSZRJFAPSA-N 2 0 385.552 2.000 50 0 GEAARP C[NH+](C)CC(=O)N[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1OCc1cccnc1 ZINC000072133101 205309050 /nfs/dbraw/zinc/30/90/50/205309050.db2.gz IPHXRGPZZZSLBN-YADHBBJMSA-N 2 0 394.519 2.021 50 0 GEAARP c1cn(C2CC[NH+](Cc3cccnc3)CC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072479518 205354567 /nfs/dbraw/zinc/35/45/67/205354567.db2.gz DOUAXGZCKZLMDF-UHFFFAOYSA-N 2 0 377.496 2.472 50 0 GEAARP COc1cc(CNC(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000072480631 205355521 /nfs/dbraw/zinc/35/55/21/205355521.db2.gz WMAWGXXJFOVCRO-QGZVFWFLSA-N 2 0 375.513 2.173 50 0 GEAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+](C4CCCC4)CC3)OC2=O)CC1 ZINC000072481626 205355968 /nfs/dbraw/zinc/35/59/68/205355968.db2.gz FPMSZNQPEWOGBF-UHFFFAOYSA-N 2 0 378.561 2.242 50 0 GEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCc1ccc(O)c(OC)c1)CC[NH+](C)CC2 ZINC000072418765 205347237 /nfs/dbraw/zinc/34/72/37/205347237.db2.gz WGVMBVFFRMGCMR-QGZVFWFLSA-N 2 0 375.513 2.213 50 0 GEAARP C[NH+]1CCC(Oc2ccc(NC(=O)CCc3cc4n(n3)CC[NH2+]C4)cc2)CC1 ZINC000072426443 205348255 /nfs/dbraw/zinc/34/82/55/205348255.db2.gz ZZHKYFPKZBCUEY-UHFFFAOYSA-N 2 0 383.496 2.031 50 0 GEAARP CC[NH+]1CCN(CCN2CC3(CC[NH+](C4CCCCC4)CC3)OC2=O)CC1 ZINC000072422816 205348936 /nfs/dbraw/zinc/34/89/36/205348936.db2.gz PCPLTTHNTSGMBP-UHFFFAOYSA-N 2 0 378.561 2.243 50 0 GEAARP C[NH2+][C@@H](C)C(=O)N1CCC2(CN(CCC[N@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077471813 205364608 /nfs/dbraw/zinc/36/46/08/205364608.db2.gz XJCRTEMCOZMBIZ-KRWDZBQOSA-N 2 0 394.560 2.062 50 0 GEAARP [NH3+]CCOc1cccc(CC(=O)NC2CC[NH+](C3CCSCC3)CC2)c1 ZINC000426465166 534638004 /nfs/dbraw/zinc/63/80/04/534638004.db2.gz JCGUQJQJPMZYQR-UHFFFAOYSA-N 2 0 377.554 2.043 50 0 GEAARP CCN(CC)CC[NH2+]Cc1ccc(OC[C@@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000020996113 570286790 /nfs/dbraw/zinc/28/67/90/570286790.db2.gz ZAAKJQDJHRYWQN-IBGZPJMESA-N 2 0 381.561 2.207 50 0 GEAARP Cc1c(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000237532132 570378209 /nfs/dbraw/zinc/37/82/09/570378209.db2.gz JGJFTMKCZQTHEC-QGZVFWFLSA-N 2 0 396.539 2.248 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCCn2cccn2)ccc1OC ZINC000012595046 570688805 /nfs/dbraw/zinc/68/88/05/570688805.db2.gz JZABPUDHZRQFSD-LJQANCHMSA-N 2 0 390.528 2.153 50 0 GEAARP O=C(NCCC[NH+]1CCCC1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255856 570754261 /nfs/dbraw/zinc/75/42/61/570754261.db2.gz AOHUNCGPHHEITP-NRFANRHFSA-N 2 0 393.535 2.448 50 0 GEAARP O[C@@H](COc1ccccc1C[NH2+]CC1(O)CCCCC1)C[NH+]1CCSCC1 ZINC000014979788 570869230 /nfs/dbraw/zinc/86/92/30/570869230.db2.gz QYMFVZFXNJBRCT-LJQANCHMSA-N 2 0 394.581 2.260 50 0 GEAARP CC[N@H+](Cc1ccc(OC[C@@H](O)C[NH+]2CCSCC2)c(OC)c1)C1CC1 ZINC000095503898 571077604 /nfs/dbraw/zinc/07/76/04/571077604.db2.gz ZXNXELXLQDWYMF-SFHVURJKSA-N 2 0 380.554 2.468 50 0 GEAARP COc1ccc(C[N@H+](C)CC2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095508459 571080365 /nfs/dbraw/zinc/08/03/65/571080365.db2.gz CNLJNNMMQCXWOJ-HXUWFJFHSA-N 2 0 392.540 2.389 50 0 GEAARP CC[N@H+](CCO)Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095528688 571091983 /nfs/dbraw/zinc/09/19/83/571091983.db2.gz WAVYHKLLLQGOCM-QFIPXVFZSA-N 2 0 384.520 2.299 50 0 GEAARP C[NH+](C)C1CCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1 ZINC000095531645 571093375 /nfs/dbraw/zinc/09/33/75/571093375.db2.gz GNVKRYQCLHSBFV-HXUWFJFHSA-N 2 0 393.597 2.001 50 0 GEAARP COc1ccc(C[NH2+]CC(C)(C)CO)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000011955968 204364410 /nfs/dbraw/zinc/36/44/10/204364410.db2.gz RGGGGEJNZQTPIH-SFHVURJKSA-N 2 0 380.529 2.029 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]CCCn2cccn2)ccc1OC ZINC000012595050 204428596 /nfs/dbraw/zinc/42/85/96/204428596.db2.gz JZABPUDHZRQFSD-IBGZPJMESA-N 2 0 390.528 2.153 50 0 GEAARP CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCC(C)C ZINC000014741664 204540398 /nfs/dbraw/zinc/54/03/98/204540398.db2.gz GWYUSEADBUFPBQ-KRWDZBQOSA-N 2 0 398.617 2.444 50 0 GEAARP COc1ccc(C[N@H+](C)CCO)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000039442381 205041780 /nfs/dbraw/zinc/04/17/80/205041780.db2.gz BFAVZHNITANUBS-IBGZPJMESA-N 2 0 380.529 2.125 50 0 GEAARP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000065366255 205231902 /nfs/dbraw/zinc/23/19/02/205231902.db2.gz UFMMRJIJVNKRGR-GOSISDBHSA-N 2 0 388.560 2.196 50 0 GEAARP Cc1ccc(C2(C[N@H+]3CCC[C@H](C(=O)c4nccn4C)C3)CC[NH2+]CC2)nc1 ZINC000065384221 205233547 /nfs/dbraw/zinc/23/35/47/205233547.db2.gz KHLZPYYLJXAEHX-SFHVURJKSA-N 2 0 381.524 2.340 50 0 GEAARP CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000067966219 205270229 /nfs/dbraw/zinc/27/02/29/205270229.db2.gz SRZJALGIICRTJF-UXHICEINSA-N 2 0 386.540 2.129 50 0 GEAARP O=C([C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071763448 205296170 /nfs/dbraw/zinc/29/61/70/205296170.db2.gz OSSGPVNFTGFIQZ-QFIPXVFZSA-N 2 0 398.595 2.227 50 0 GEAARP C[N@@H+]1CC2(C[C@@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1)CC[NH2+]CC2 ZINC000072469924 205354033 /nfs/dbraw/zinc/35/40/33/205354033.db2.gz DZPGLRIBWCEIOT-HXUWFJFHSA-N 2 0 379.508 2.079 50 0 GEAARP COc1cc2c(cc1C[NH+]1CCC([C@@H](C)[NH+]3CCOCC3)CC1)OCCO2 ZINC000072420261 205346911 /nfs/dbraw/zinc/34/69/11/205346911.db2.gz IUYOKFIWARBCCF-MRXNPFEDSA-N 2 0 376.497 2.399 50 0 GEAARP CCC[N@H+](C)Cc1cc2n(n1)CCN(C(=O)c1ccccc1[C@@H]1CC[NH2+]C1)C2 ZINC000072425807 205349491 /nfs/dbraw/zinc/34/94/91/205349491.db2.gz XQRVZWQVCXECGV-QGZVFWFLSA-N 2 0 381.524 2.458 50 0 GEAARP Cc1noc(C)c1CCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000096153631 205536160 /nfs/dbraw/zinc/53/61/60/205536160.db2.gz MKFOFWLMTVJGQF-DENIHFKCSA-N 2 0 382.508 2.062 50 0 GEAARP O=C1CCCN1C[C@H]1CCC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000244690834 206130576 /nfs/dbraw/zinc/13/05/76/206130576.db2.gz IXSQUOHVLARDTK-QFIPXVFZSA-N 2 0 384.568 2.139 50 0 GEAARP CCCCn1nc(C)cc1NC(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000299776945 206188302 /nfs/dbraw/zinc/18/83/02/206188302.db2.gz IONQHZBUJLNLAU-UHFFFAOYSA-N 2 0 376.549 2.483 50 0 GEAARP CCn1cc(C[NH2+]Cc2ccc(OC)c(OC[C@H](O)C[N@H+](C)C(C)C)c2)cn1 ZINC000012073224 221146872 /nfs/dbraw/zinc/14/68/72/221146872.db2.gz NNRODNCWXLCWJJ-LJQANCHMSA-N 2 0 390.528 2.281 50 0 GEAARP Cc1c(C[NH+]2CCC3(CN(CC[N@@H+](C)CC(C)C)C(=O)O3)CC2)cnn1C ZINC000072477533 222265803 /nfs/dbraw/zinc/26/58/03/222265803.db2.gz QBFFTYGZNYMVLG-UHFFFAOYSA-N 2 0 377.533 2.103 50 0 GEAARP Cc1nn(C)cc1C[N@@H+]1CCC2(CC[NH+](Cc3cccnc3)CC2)[C@H](CO)C1 ZINC000097514987 570245354 /nfs/dbraw/zinc/24/53/54/570245354.db2.gz HBWNRTNUARFRJR-NRFANRHFSA-N 2 0 383.540 2.220 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCN2CCCCC2)cc1OC ZINC000020534139 570265695 /nfs/dbraw/zinc/26/56/95/570265695.db2.gz IPKIQTQKEQUOJM-FQEVSTJZSA-N 2 0 393.572 2.352 50 0 GEAARP O=C(NC[C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584903077 570270416 /nfs/dbraw/zinc/27/04/16/570270416.db2.gz JFMUITBWDQSMCP-SFHVURJKSA-N 2 0 383.496 2.418 50 0 GEAARP C[NH+](C)CCNC(=O)c1cccc(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000034684101 570301493 /nfs/dbraw/zinc/30/14/93/570301493.db2.gz FUHFTJHAYRLDRU-UHFFFAOYSA-N 2 0 380.536 2.296 50 0 GEAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccc(OC)c(OC)c2)CC1 ZINC000005708401 570322484 /nfs/dbraw/zinc/32/24/84/570322484.db2.gz AHCRVYFQPHNYOC-UHFFFAOYSA-N 2 0 377.529 2.374 50 0 GEAARP Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](Cn4cc(C[NH3+])nn4)C3)c2)n1 ZINC000023399191 570360868 /nfs/dbraw/zinc/36/08/68/570360868.db2.gz FNAPORMFLOPYMA-IBGZPJMESA-N 2 0 379.512 2.452 50 0 GEAARP CC(C)[C@H]1CN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)CCC[N@@H+]1CC1CC1 ZINC000244708192 570433196 /nfs/dbraw/zinc/43/31/96/570433196.db2.gz KPGVAIBIMYUILZ-WSTZPKSXSA-N 2 0 388.560 2.303 50 0 GEAARP CC[NH+](CC)CCSCC(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000072301482 570504850 /nfs/dbraw/zinc/50/48/50/570504850.db2.gz WDRBSJJPDUWLEO-IBGZPJMESA-N 2 0 392.613 2.388 50 0 GEAARP O=C(NCC[NH+]1CCCC1)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255801 570754086 /nfs/dbraw/zinc/75/40/86/570754086.db2.gz BZNNFAMVRDQXNB-HXUWFJFHSA-N 2 0 379.508 2.058 50 0 GEAARP O=C(NCC[NH+]1CCCCC1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256358 570754942 /nfs/dbraw/zinc/75/49/42/570754942.db2.gz UWXBNVCZISXNAS-OAQYLSRUSA-N 2 0 393.535 2.448 50 0 GEAARP O=C(NCC[NH+]1CCCC1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256298 570755083 /nfs/dbraw/zinc/75/50/83/570755083.db2.gz MRDVJXGRXSPQPV-HXUWFJFHSA-N 2 0 379.508 2.058 50 0 GEAARP Cc1cc(C)n(CCNC(=O)[C@@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000015066193 570875721 /nfs/dbraw/zinc/87/57/21/570875721.db2.gz LPDMVCXVCAKZQX-LJQANCHMSA-N 2 0 375.561 2.201 50 0 GEAARP CN(CCO)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012596044 570884589 /nfs/dbraw/zinc/88/45/89/570884589.db2.gz QOAJUFFPFNARLK-UHFFFAOYSA-N 2 0 387.568 2.246 50 0 GEAARP COCCN1C(=O)[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(C[NH+]3CCCC3)cs1)C2 ZINC000091435177 571007416 /nfs/dbraw/zinc/00/74/16/571007416.db2.gz LFBLAARSBCOLML-ZWKOTPCHSA-N 2 0 377.554 2.413 50 0 GEAARP CCOCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091747068 571029467 /nfs/dbraw/zinc/02/94/67/571029467.db2.gz JLVYDEQHIJXOIT-NRFANRHFSA-N 2 0 399.579 2.483 50 0 GEAARP CC1(C)C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@]1(O)C[NH+]1CCOCC1 ZINC000091915272 571036133 /nfs/dbraw/zinc/03/61/33/571036133.db2.gz IKXUDJOICXZWOY-QFIPXVFZSA-N 2 0 384.524 2.168 50 0 GEAARP Cc1cc(N2C[C@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc(N)[nH+]1 ZINC000095358091 571053370 /nfs/dbraw/zinc/05/33/70/571053370.db2.gz DBQZLKDWSPWKLQ-CDHQVMDDSA-N 2 0 379.464 2.163 50 0 GEAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(-c4ccccc4F)o3)C[C@@H]2CO)CC1 ZINC000095358618 571053732 /nfs/dbraw/zinc/05/37/32/571053732.db2.gz QMMSZUNYMVHKMR-QZTJIDSGSA-N 2 0 387.499 2.373 50 0 GEAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH+]3CCC(F)(F)CC3)c2)CC1 ZINC000095498309 571074934 /nfs/dbraw/zinc/07/49/34/571074934.db2.gz IUULTOGIGLYYBE-LJQANCHMSA-N 2 0 397.510 2.295 50 0 GEAARP [NH3+][C@H]1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000095498679 571075307 /nfs/dbraw/zinc/07/53/07/571075307.db2.gz BQFCNLOCAUEIJU-SFHVURJKSA-N 2 0 380.492 2.298 50 0 GEAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C(C)(C)[NH3+] ZINC000095506795 571079518 /nfs/dbraw/zinc/07/95/18/571079518.db2.gz GKVHCQOGUCKXKL-QGZVFWFLSA-N 3 0 378.536 2.165 50 0 GEAARP COc1ccc(C[N@H+](C)CC2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095508460 571080302 /nfs/dbraw/zinc/08/03/02/571080302.db2.gz CNLJNNMMQCXWOJ-FQEVSTJZSA-N 2 0 392.540 2.389 50 0 GEAARP COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000095509015 571080329 /nfs/dbraw/zinc/08/03/29/571080329.db2.gz FQXAIVQCHNDWPB-FQEVSTJZSA-N 2 0 390.524 2.297 50 0 GEAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000095509016 571080357 /nfs/dbraw/zinc/08/03/57/571080357.db2.gz FQXAIVQCHNDWPB-HXUWFJFHSA-N 2 0 390.524 2.297 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1cc(CN2CC[N@H+](C)C(C)(C)C2)ccc1OC ZINC000095525414 571090155 /nfs/dbraw/zinc/09/01/55/571090155.db2.gz GUTNCOVXTNYDGY-LJQANCHMSA-N 2 0 393.572 2.303 50 0 GEAARP CC[N@H+](Cc1ccncc1)Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011818110 204353613 /nfs/dbraw/zinc/35/36/13/204353613.db2.gz NHEUFEXDVMWRAW-JOCHJYFZSA-N 2 0 399.535 2.300 50 0 GEAARP COC[C@H](C)[NH+]1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000012202176 204382812 /nfs/dbraw/zinc/38/28/12/204382812.db2.gz GWSSTRQSJGFKJP-KRWDZBQOSA-N 2 0 377.529 2.198 50 0 GEAARP COc1ccc2[nH]c(=O)c(C[NH+]3CCC([C@H](C)[NH+]4CCOCC4)CC3)cc2c1 ZINC000067910247 205267488 /nfs/dbraw/zinc/26/74/88/205267488.db2.gz FOFCRRIQNUVBSD-INIZCTEOSA-N 2 0 385.508 2.469 50 0 GEAARP COc1ccc(-n2cccn2)c(C[N@@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)c1 ZINC000067561605 205248337 /nfs/dbraw/zinc/24/83/37/205248337.db2.gz KDNQHQWQMWGUKS-UHFFFAOYSA-N 2 0 383.540 2.483 50 0 GEAARP CC(C)[C@@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)c1nnc2n1CC[NH2+]CC2 ZINC000067560440 205248511 /nfs/dbraw/zinc/24/85/11/205248511.db2.gz HHYJZDVINQQDSI-GOSISDBHSA-N 2 0 388.560 2.036 50 0 GEAARP C[NH+](C)CCCOc1ccc(C[N@@H+]2CC3(C[C@@H]2C(=O)[O-])CC[NH2+]CC3)cc1 ZINC000072120911 205304761 /nfs/dbraw/zinc/30/47/61/205304761.db2.gz DOSDBQXYHUFMFB-LJQANCHMSA-N 2 0 375.513 2.046 50 0 GEAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](Cc1cn(C)nc1C)C2 ZINC000072146316 205309790 /nfs/dbraw/zinc/30/97/90/205309790.db2.gz WOELJGSODREAGX-NJYVYQBISA-N 2 0 376.545 2.068 50 0 GEAARP COc1cc(CNC(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000072480630 205354624 /nfs/dbraw/zinc/35/46/24/205354624.db2.gz WMAWGXXJFOVCRO-KRWDZBQOSA-N 2 0 375.513 2.173 50 0 GEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072407830 205346084 /nfs/dbraw/zinc/34/60/84/205346084.db2.gz QFGWMHHMZGPQKT-IBGZPJMESA-N 3 0 380.577 2.251 50 0 GEAARP CC(C)[NH+]1CCN(CCN2CC3(CC[NH+](CC4CCCC4)CC3)OC2=O)CC1 ZINC000072411671 205347794 /nfs/dbraw/zinc/34/77/94/205347794.db2.gz SWIVOXCCMOVBNY-UHFFFAOYSA-N 2 0 392.588 2.489 50 0 GEAARP C[NH+]1CCC(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000095387424 205452457 /nfs/dbraw/zinc/45/24/57/205452457.db2.gz YCMLUXAKLYIMCO-VLCRHTCISA-N 2 0 397.519 2.146 50 0 GEAARP CCc1cc(N2CCC([NH2+][C@@H](C)c3nncn3C)CC2)nc(N2CCCC2)[nH+]1 ZINC000095503453 136180122 /nfs/dbraw/zinc/18/01/22/136180122.db2.gz MUZYQFCKTLCOLH-HNNXBMFYSA-N 2 0 384.532 2.087 50 0 GEAARP COc1ccc(C[N@@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@@H]2CCO)c(C)c1C ZINC000106955743 136191645 /nfs/dbraw/zinc/19/16/45/136191645.db2.gz ICJBFFQTNIIUTE-SFHVURJKSA-N 2 0 385.512 2.066 50 0 GEAARP O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000006276513 136195133 /nfs/dbraw/zinc/19/51/33/136195133.db2.gz RSHQVJGDBXLSMJ-GOSISDBHSA-N 2 0 398.473 2.476 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC ZINC000244874884 520736745 /nfs/dbraw/zinc/73/67/45/520736745.db2.gz XIXZRNAJZANAFU-FHWLQOOXSA-N 2 0 380.529 2.170 50 0 GEAARP Cc1ccc(C[NH+]2CCC(c3nnc(CN4CC[NH+](C)CC4)n3C)CC2)s1 ZINC000096151825 570215647 /nfs/dbraw/zinc/21/56/47/570215647.db2.gz ODSCNAQZNVZYOV-UHFFFAOYSA-N 2 0 388.585 2.312 50 0 GEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@H]([NH+](C)Cc1ccco1)C2 ZINC000020386954 570253902 /nfs/dbraw/zinc/25/39/02/570253902.db2.gz ZHGVIUSHYWIISJ-KRWDZBQOSA-N 2 0 399.539 2.263 50 0 GEAARP C[NH+]1CCC(N2CCN(Cc3ccc(OC(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104512031 570259492 /nfs/dbraw/zinc/25/94/92/570259492.db2.gz LDOSKCAAKASYPQ-GOSISDBHSA-N 2 0 383.483 2.251 50 0 GEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@@H]([NH2+]CCC(C)C)C2 ZINC000020538754 570266261 /nfs/dbraw/zinc/26/62/61/570266261.db2.gz FSMJRABDWYHXMB-QGZVFWFLSA-N 2 0 375.561 2.174 50 0 GEAARP O=C(NCCC[NH+]1CCCC1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256355 570755315 /nfs/dbraw/zinc/75/53/15/570755315.db2.gz GHZJBMWFTFPYDU-NRFANRHFSA-N 2 0 393.535 2.448 50 0 GEAARP CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014746074 570775813 /nfs/dbraw/zinc/77/58/13/570775813.db2.gz IGDQFLUHWVARPK-UHFFFAOYSA-N 2 0 397.523 2.348 50 0 GEAARP C[NH+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000170595793 570853663 /nfs/dbraw/zinc/85/36/63/570853663.db2.gz XTSVEKWRYWDEJJ-GOSISDBHSA-N 2 0 396.576 2.308 50 0 GEAARP O=C(c1ccc(C[NH+]2CCCC2)o1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091320321 571002952 /nfs/dbraw/zinc/00/29/52/571002952.db2.gz JYVYXYKEYQWMFD-QZTJIDSGSA-N 2 0 375.513 2.042 50 0 GEAARP COc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095498379 571074986 /nfs/dbraw/zinc/07/49/86/571074986.db2.gz PZSYNJKSUSDKLI-LJQANCHMSA-N 2 0 390.524 2.286 50 0 GEAARP C[N@H+](CCC(N)=O)Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095500015 571075872 /nfs/dbraw/zinc/07/58/72/571075872.db2.gz MDILXBMZTOZMED-SFHVURJKSA-N 2 0 397.947 2.263 50 0 GEAARP COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095504752 571077940 /nfs/dbraw/zinc/07/79/40/571077940.db2.gz SPGIYOLGTAKSIC-LJQANCHMSA-N 2 0 380.529 2.386 50 0 GEAARP C[NH+]1CCN(Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522879 571088287 /nfs/dbraw/zinc/08/82/87/571088287.db2.gz KTWQQMSWXBOXQP-QHCPKHFHSA-N 2 0 395.547 2.232 50 0 GEAARP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095524665 571089690 /nfs/dbraw/zinc/08/96/90/571089690.db2.gz WVFXZBXHWHCOBP-GOSISDBHSA-N 2 0 380.529 2.386 50 0 GEAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1c[nH]cn1 ZINC000095530519 571092917 /nfs/dbraw/zinc/09/29/17/571092917.db2.gz QUVPROYLDXPCPW-KRWDZBQOSA-N 2 0 387.503 2.465 50 0 GEAARP CN(CCC[NH+]1CCCCC1)C(=O)C[C@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000011816116 204353768 /nfs/dbraw/zinc/35/37/68/204353768.db2.gz KUPDWFKTUBJFRZ-FQEVSTJZSA-N 2 0 392.588 2.092 50 0 GEAARP CCC[NH+]1CCC(N2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)CC1 ZINC000039455313 205043196 /nfs/dbraw/zinc/04/31/96/205043196.db2.gz SPYAWIZXTAWUHJ-JOCHJYFZSA-N 2 0 380.621 2.102 50 0 GEAARP CCOc1ccc(S(=O)(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000058341128 205172949 /nfs/dbraw/zinc/17/29/49/205172949.db2.gz CMBQOSYMQDIVBV-QGZVFWFLSA-N 2 0 383.558 2.122 50 0 GEAARP Cc1sc2nc(CC[NH3+])nc(N(C)CCCC[NH+]3CCOCC3)c2c1C ZINC000065380630 205231840 /nfs/dbraw/zinc/23/18/40/205231840.db2.gz GKRYWIVIUPEEMB-UHFFFAOYSA-N 2 0 377.558 2.358 50 0 GEAARP C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071753934 205290584 /nfs/dbraw/zinc/29/05/84/205290584.db2.gz MXTXUZPKGKTFFB-NRFANRHFSA-N 3 0 398.595 2.008 50 0 GEAARP CCOc1c(CN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cccc1OC ZINC000072438541 205352743 /nfs/dbraw/zinc/35/27/43/205352743.db2.gz LNZUZQIKLDCFKV-KRWDZBQOSA-N 2 0 375.513 2.126 50 0 GEAARP CC(C)C[N@H+](C)CCCN1CC2(CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)OC1=O ZINC000072407829 205345301 /nfs/dbraw/zinc/34/53/01/205345301.db2.gz QFGWMHHMZGPQKT-LJQANCHMSA-N 3 0 380.577 2.251 50 0 GEAARP COCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072407651 205345971 /nfs/dbraw/zinc/34/59/71/205345971.db2.gz AZZRBLPWVPUOJL-SFHVURJKSA-N 2 0 379.932 2.389 50 0 GEAARP Cc1nc2ccccc2nc1C[NH+]1CCC2(CN(CC[NH+](C)C)C(=O)O2)CC1 ZINC000072410718 205346570 /nfs/dbraw/zinc/34/65/70/205346570.db2.gz ZDOGSTOKYNUOFM-UHFFFAOYSA-N 2 0 383.496 2.287 50 0 GEAARP CCn1c(CN2CCC[N@H+](Cc3cccc(F)c3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244723842 206131649 /nfs/dbraw/zinc/13/16/49/206131649.db2.gz MIJBWJCMUVKRTA-IZAXUBKRSA-N 2 0 386.519 2.350 50 0 GEAARP O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CC[NH+](C3CCSCC3)CC2)CC1 ZINC000011815321 221128269 /nfs/dbraw/zinc/12/82/69/221128269.db2.gz BJJQNSPHTGEFTP-FQEVSTJZSA-N 2 0 395.613 2.354 50 0 GEAARP CC[NH+]1CCN(CCN2CC3(CC[NH+](Cc4ccc(C)o4)CC3)OC2=O)CC1 ZINC000072475199 222265666 /nfs/dbraw/zinc/26/56/66/222265666.db2.gz DUFNDUCKLNBMDR-UHFFFAOYSA-N 2 0 390.528 2.012 50 0 GEAARP Cc1noc(C)c1C[N@H+]1CCC2(CC[NH+](Cc3cncn3C)CC2)[C@H](CO)C1 ZINC000097334308 570241742 /nfs/dbraw/zinc/24/17/42/570241742.db2.gz FQRHPWAOHRJTHP-SFHVURJKSA-N 2 0 387.528 2.122 50 0 GEAARP [NH3+]CC1CC[NH+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CC1 ZINC000023398520 570360857 /nfs/dbraw/zinc/36/08/57/570360857.db2.gz KPQSCBMXBRZZDH-UHFFFAOYSA-N 2 0 392.507 2.047 50 0 GEAARP COCOc1ccc(OC)cc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000164419212 570728329 /nfs/dbraw/zinc/72/83/29/570728329.db2.gz XOTXITRECBOCEQ-UHFFFAOYSA-N 2 0 377.529 2.326 50 0 GEAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH2+]C3CCCC3)c2)CC1 ZINC000014980483 570869067 /nfs/dbraw/zinc/86/90/67/570869067.db2.gz URCMGTNXIYOPIQ-HXUWFJFHSA-N 2 0 390.524 2.344 50 0 GEAARP Cc1c2cc(C)ccc2[nH]c1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000091650611 571022512 /nfs/dbraw/zinc/02/25/12/571022512.db2.gz TXXSTBDFXPUQAM-WOJBJXKFSA-N 2 0 384.568 2.463 50 0 GEAARP COc1ccc(C[N@H+](C)C2CCOCC2)cc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095498188 571074943 /nfs/dbraw/zinc/07/49/43/571074943.db2.gz OAAFIPNZVZJSPZ-IBGZPJMESA-N 2 0 380.529 2.386 50 0 GEAARP C[C@H]1CCC[N@H+](CCOc2ccc(C[NH2+]CCN3CCC(O)CC3)cc2)C1 ZINC000055360728 205147746 /nfs/dbraw/zinc/14/77/46/205147746.db2.gz WHWZXPVEUIBULW-IBGZPJMESA-N 2 0 375.557 2.344 50 0 GEAARP CC(C)[C@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)c1nnc2n1CC[NH2+]CC2 ZINC000067560436 205249271 /nfs/dbraw/zinc/24/92/71/205249271.db2.gz HHYJZDVINQQDSI-SFHVURJKSA-N 2 0 388.560 2.036 50 0 GEAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC([N@@H+]4CCCC[C@H]4C)C3)cnn2c1 ZINC000067756931 205258787 /nfs/dbraw/zinc/25/87/87/205258787.db2.gz MEHNKNVVYNWUHG-MRXNPFEDSA-N 2 0 384.528 2.270 50 0 GEAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N(CCc1ccccc1)Cc1cccnc1 ZINC000072143929 205311737 /nfs/dbraw/zinc/31/17/37/205311737.db2.gz IWDKWQOAQNHWRQ-NRFANRHFSA-N 2 0 378.520 2.385 50 0 GEAARP CCCN(Cc1nccn1C)C(=O)[C@H]1CC2(C[N@@H+]1CCC)CC[NH+](C)CC2 ZINC000072422255 205349428 /nfs/dbraw/zinc/34/94/28/205349428.db2.gz VOCPMQCDEPDMHY-GOSISDBHSA-N 2 0 375.561 2.355 50 0 GEAARP Cc1cc(N2CCC([NH2+]CCNc3cccnc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095518562 136181082 /nfs/dbraw/zinc/18/10/82/136181082.db2.gz SZSJOUAGAMLKID-UHFFFAOYSA-N 2 0 381.528 2.451 50 0 GEAARP O=C(NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000006276512 136195039 /nfs/dbraw/zinc/19/50/39/136195039.db2.gz RSHQVJGDBXLSMJ-SFHVURJKSA-N 2 0 398.473 2.476 50 0 GEAARP O=C1CC2(CN1Cc1cc(F)cc(F)c1)CC[NH+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)CC2 ZINC000101993628 570286406 /nfs/dbraw/zinc/28/64/06/570286406.db2.gz WORILPBIFYKKDT-BWTSREIZSA-N 2 0 375.463 2.245 50 0 GEAARP O[C@H](COc1ccccc1C[NH2+]CCc1ccccn1)C[NH+]1CCSCC1 ZINC000015073359 570877834 /nfs/dbraw/zinc/87/78/34/570877834.db2.gz MMUKRQHMMBDUKP-FQEVSTJZSA-N 2 0 387.549 2.202 50 0 GEAARP CC[NH+](CC)CCOc1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000097164632 570901509 /nfs/dbraw/zinc/90/15/09/570901509.db2.gz WTEVWTMEVQALDL-UHFFFAOYSA-N 3 0 393.576 2.364 50 0 GEAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cnc(-c4ccccc4)s3)C[C@@H]2CO)CC1 ZINC000095374328 571063130 /nfs/dbraw/zinc/06/31/30/571063130.db2.gz CYYKTQPIAAWDMG-RTBURBONSA-N 2 0 386.565 2.098 50 0 GEAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)C(C)(C)[NH3+] ZINC000095506796 571079268 /nfs/dbraw/zinc/07/92/68/571079268.db2.gz GKVHCQOGUCKXKL-KRWDZBQOSA-N 3 0 378.536 2.165 50 0 GEAARP O[C@@H](COc1ccccc1C[NH+]1CCC(O)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000095521058 571087068 /nfs/dbraw/zinc/08/70/68/571087068.db2.gz GYNYSFKWAORVLA-HSZRJFAPSA-N 2 0 396.531 2.441 50 0 GEAARP COc1cc(C[N@H+](C)CC2CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095528063 571091642 /nfs/dbraw/zinc/09/16/42/571091642.db2.gz RQUOBWFGUBUMIM-GOSISDBHSA-N 2 0 380.554 2.326 50 0 GEAARP C[C@@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012204177 204382930 /nfs/dbraw/zinc/38/29/30/204382930.db2.gz PJVHLQDLUYXRSL-LJQANCHMSA-N 2 0 387.568 2.293 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ocnc1C ZINC000012303631 204394338 /nfs/dbraw/zinc/39/43/38/204394338.db2.gz ZWQJTGNZZOCIOQ-IBGZPJMESA-N 2 0 392.544 2.268 50 0 GEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCCc1nc3ccccc3[nH]1)CC[NH+](C)CC2 ZINC000072463096 205352520 /nfs/dbraw/zinc/35/25/20/205352520.db2.gz FVTBYQGNJDODAW-IBGZPJMESA-N 2 0 383.540 2.418 50 0 GEAARP [NH3+]Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000082170650 205388920 /nfs/dbraw/zinc/38/89/20/205388920.db2.gz SZYBKKAYLXHLGV-FQEVSTJZSA-N 2 0 398.551 2.084 50 0 GEAARP COc1ccc(C[NH+]2CCC(CCO)CC2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095512539 205481263 /nfs/dbraw/zinc/48/12/63/205481263.db2.gz UPWSNHLQTVKAAY-HXUWFJFHSA-N 2 0 392.540 2.125 50 0 GEAARP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000230234359 206111504 /nfs/dbraw/zinc/11/15/04/206111504.db2.gz OFQVZVAWORAWHO-CEWLAPEOSA-N 2 0 391.581 2.301 50 0 GEAARP CCC[NH+]1CCC(N2C[C@@H]([NH2+]Cc3ccc(F)c(F)c3)C[C@H]2C(=O)NC)CC1 ZINC000299789075 206189972 /nfs/dbraw/zinc/18/99/72/206189972.db2.gz VLOJBFSZRASVMN-JXFKEZNVSA-N 2 0 394.510 2.118 50 0 GEAARP Cc1nccnc1C[N@@H+]1CCC2(CC[NH+](Cc3ccncc3)CC2)[C@@H](CO)C1 ZINC000097244208 570240025 /nfs/dbraw/zinc/24/00/25/570240025.db2.gz BTNRAKCLYSFNIN-HXUWFJFHSA-N 2 0 381.524 2.277 50 0 GEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@@H]([NH+](C)Cc1ccco1)C2 ZINC000020386960 570254015 /nfs/dbraw/zinc/25/40/15/570254015.db2.gz ZHGVIUSHYWIISJ-QGZVFWFLSA-N 2 0 399.539 2.263 50 0 GEAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]CCc3ccccc3)c2)CC1 ZINC000020419354 570255236 /nfs/dbraw/zinc/25/52/36/570255236.db2.gz RINIZWWLDBKOTH-HSZRJFAPSA-N 2 0 397.563 2.396 50 0 GEAARP CC(C)=CC[N@H+]1CCN(Cc2cccc(OCC[NH+](C)C)c2)C[C@H]1CCO ZINC000104629883 570260472 /nfs/dbraw/zinc/26/04/72/570260472.db2.gz AGDXUJOKRDNERU-OAQYLSRUSA-N 2 0 375.557 2.462 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2cnn(C)c2C)ccc1OC ZINC000012386986 570651944 /nfs/dbraw/zinc/65/19/44/570651944.db2.gz JJMUBQUDMGYZDA-IBGZPJMESA-N 2 0 390.528 2.108 50 0 GEAARP COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012591072 570687072 /nfs/dbraw/zinc/68/70/72/570687072.db2.gz PMAXUGMCICFEAJ-HXUWFJFHSA-N 2 0 392.540 2.437 50 0 GEAARP O=C(NCC[NH+]1CCCC1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255800 570754174 /nfs/dbraw/zinc/75/41/74/570754174.db2.gz BZNNFAMVRDQXNB-FQEVSTJZSA-N 2 0 379.508 2.058 50 0 GEAARP COc1cc(C[N@H+](C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000015068237 570876247 /nfs/dbraw/zinc/87/62/47/570876247.db2.gz BABKZIKJZHOMGZ-IBGZPJMESA-N 2 0 390.528 2.173 50 0 GEAARP COc1ccc(C[NH2+]CCCn2cccn2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015080153 570879527 /nfs/dbraw/zinc/87/95/27/570879527.db2.gz IHASUCBLXBTXGO-LJQANCHMSA-N 2 0 390.528 2.152 50 0 GEAARP COCCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091964654 571037837 /nfs/dbraw/zinc/03/78/37/571037837.db2.gz LHOCNXZGHBXCQV-OAQYLSRUSA-N 2 0 399.579 2.483 50 0 GEAARP C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC000095371627 571061443 /nfs/dbraw/zinc/06/14/43/571061443.db2.gz OGEPFXIWVGHGGO-LJQANCHMSA-N 2 0 375.561 2.448 50 0 GEAARP COc1ccc(C[N@H+](C)CC2CCOCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095503270 571077104 /nfs/dbraw/zinc/07/71/04/571077104.db2.gz BSHDCTXJZPXQEF-HXUWFJFHSA-N 2 0 392.540 2.389 50 0 GEAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)CC3CCC3)c2)CC1 ZINC000095506346 571078917 /nfs/dbraw/zinc/07/89/17/571078917.db2.gz VSROHUSFNRLMMZ-OAQYLSRUSA-N 2 0 375.557 2.296 50 0 GEAARP O[C@H](COc1ccccc1C[NH+]1CCC(O)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000095521057 571087050 /nfs/dbraw/zinc/08/70/50/571087050.db2.gz GYNYSFKWAORVLA-QHCPKHFHSA-N 2 0 396.531 2.441 50 0 GEAARP COc1ccc(OCCC[NH3+])c(C(=O)N2CCC([NH+]3CCSCC3)CC2)c1 ZINC000426615130 231246511 /nfs/dbraw/zinc/24/65/11/231246511.db2.gz KSXUUTGUFSYCNS-UHFFFAOYSA-N 2 0 393.553 2.076 50 0 GEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@@H]([NH2+]Cc1ccccc1)C2 ZINC000014542546 207023472 /nfs/dbraw/zinc/02/34/72/207023472.db2.gz KUHLCTLBLPHDIC-LJQANCHMSA-N 2 0 395.551 2.328 50 0 GEAARP COCC[NH2+]Cc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015074301 207045244 /nfs/dbraw/zinc/04/52/44/207045244.db2.gz YFKIVRDPJUUVKJ-IBGZPJMESA-N 2 0 380.529 2.437 50 0 GEAARP Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000015075241 207046849 /nfs/dbraw/zinc/04/68/49/207046849.db2.gz DTAJAWOFHYHLJD-GOSISDBHSA-N 2 0 375.561 2.270 50 0 GEAARP C[NH+]1CCC(N2CC[N@@H+](C3CCN(c4ccccc4)CC3)C[C@@H]2CCO)CC1 ZINC000019782168 207160703 /nfs/dbraw/zinc/16/07/03/207160703.db2.gz VYVFYTVGQHPMNO-QHCPKHFHSA-N 2 0 386.584 2.118 50 0 GEAARP Cc1cc(C)c(-n2cccn2)c(C[N@@H+]2CCC[C@H](Cn3cc(C[NH3+])nn3)C2)c1 ZINC000023251689 207271650 /nfs/dbraw/zinc/27/16/50/207271650.db2.gz JUCZQPKZCJERNC-SFHVURJKSA-N 2 0 379.512 2.452 50 0 GEAARP CC(C)=CC[NH+]1CCC2(CN(CCN3CC[NH+](C(C)C)CC3)C(=O)O2)CC1 ZINC000072430726 208023887 /nfs/dbraw/zinc/02/38/87/208023887.db2.gz AUADPUQFSCUXGJ-UHFFFAOYSA-N 2 0 378.561 2.265 50 0 GEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1nc(C3CC3)no1)CC[NH+](C)CC2 ZINC000072431829 208024356 /nfs/dbraw/zinc/02/43/56/208024356.db2.gz LGQYBMFEEZJLHM-MRXNPFEDSA-N 2 0 375.517 2.102 50 0 GEAARP Cc1cccc(-n2cc(CN(C)C(=O)[C@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)cn2)c1 ZINC000072477431 208031512 /nfs/dbraw/zinc/03/15/12/208031512.db2.gz LBIQQEFTYMECGP-HXUWFJFHSA-N 2 0 381.524 2.213 50 0 GEAARP Cc1cc(N2C[C@@H](c3ccc4c(c3)OCO4)[C@@H]3[C@H]2C2CC[NH+]3CC2)nc(N)[nH+]1 ZINC000095385341 208176678 /nfs/dbraw/zinc/17/66/78/208176678.db2.gz DBQZLKDWSPWKLQ-CWFSZBLJSA-N 2 0 379.464 2.163 50 0 GEAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH+]3CCC(F)(F)CC3)c2)CC1 ZINC000095498308 208199485 /nfs/dbraw/zinc/19/94/85/208199485.db2.gz IUULTOGIGLYYBE-IBGZPJMESA-N 2 0 397.510 2.295 50 0 GEAARP COc1cc(CN2CC[N@H+](C)C(C)(C)C2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000095511024 208213396 /nfs/dbraw/zinc/21/33/96/208213396.db2.gz UDZGYIMDTVWWOF-LJQANCHMSA-N 2 0 393.572 2.301 50 0 GEAARP COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095520195 208220264 /nfs/dbraw/zinc/22/02/64/208220264.db2.gz OKGJBOIJBOWGHB-IBGZPJMESA-N 2 0 378.513 2.142 50 0 GEAARP C[NH2+]CC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095523819 208223003 /nfs/dbraw/zinc/22/30/03/208223003.db2.gz XNIPBSFBAMOWRD-JOCHJYFZSA-N 2 0 385.552 2.093 50 0 GEAARP COc1ccc(C[NH+]2CCC3(CCO3)CC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095523648 208224072 /nfs/dbraw/zinc/22/40/72/208224072.db2.gz HIIYLLVZZCFOFK-IBGZPJMESA-N 2 0 390.524 2.286 50 0 GEAARP CC[N@H+](CCO)Cc1ccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)cc1 ZINC000095526235 208227631 /nfs/dbraw/zinc/22/76/31/208227631.db2.gz BPUZBVCUEYJDIC-JOCHJYFZSA-N 2 0 384.520 2.299 50 0 GEAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000095530397 208228607 /nfs/dbraw/zinc/22/86/07/208228607.db2.gz PEVXIUNDBHFRFA-LJQANCHMSA-N 2 0 378.513 2.152 50 0 GEAARP CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096149013 208276167 /nfs/dbraw/zinc/27/61/67/208276167.db2.gz VJZIMHKMFOXPFA-OPAMFIHVSA-N 2 0 395.507 2.159 50 0 GEAARP Nc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000244774146 209024761 /nfs/dbraw/zinc/02/47/61/209024761.db2.gz POOLIYDZVDYBSZ-KDURUIRLSA-N 2 0 380.540 2.408 50 0 GEAARP O=C(NCC[N@@H+]1CC[C@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426517599 534341770 /nfs/dbraw/zinc/34/17/70/534341770.db2.gz PUQONECGMJJEBF-FQEVSTJZSA-N 2 0 379.508 2.403 50 0 GEAARP CC(C)[NH2+]C[C@H](O)COc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c2ccccc12 ZINC000085406271 570225902 /nfs/dbraw/zinc/22/59/02/570225902.db2.gz PRXRSBPCJSFMDW-ROUUACIJSA-N 2 0 390.524 2.315 50 0 GEAARP C[NH+](C)CCNC(=O)c1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000034668728 570293084 /nfs/dbraw/zinc/29/30/84/570293084.db2.gz KVMVOHMHJPPJJT-UHFFFAOYSA-N 2 0 384.499 2.439 50 0 GEAARP COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000244646944 570436150 /nfs/dbraw/zinc/43/61/50/570436150.db2.gz GSEQLNOCRSHCAK-UFYCRDLUSA-N 2 0 392.540 2.314 50 0 GEAARP COCCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000011818479 570584934 /nfs/dbraw/zinc/58/49/34/570584934.db2.gz NSQREBKTUCJKGB-IBGZPJMESA-N 2 0 391.556 2.334 50 0 GEAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000012744526 570707490 /nfs/dbraw/zinc/70/74/90/570707490.db2.gz BKELATZKFVEKMO-GOSISDBHSA-N 2 0 378.513 2.199 50 0 GEAARP [NH3+]CCCCCC(=O)N1CCC[C@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072125261 570867651 /nfs/dbraw/zinc/86/76/51/570867651.db2.gz NZKANOWOZRXZQB-FQEVSTJZSA-N 2 0 376.520 2.458 50 0 GEAARP O[C@H](COc1ccccc1C[NH2+]CCN1CCCCC1)C[NH+]1CCSCC1 ZINC000020774924 570931047 /nfs/dbraw/zinc/93/10/47/570931047.db2.gz MAFLBZFQYDDYRN-FQEVSTJZSA-N 2 0 393.597 2.051 50 0 GEAARP C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)nc1 ZINC000019225414 207109452 /nfs/dbraw/zinc/10/94/52/207109452.db2.gz IYRIETIFPVQKFR-HXUWFJFHSA-N 2 0 385.556 2.218 50 0 GEAARP COc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C)ccc1OC1CC[NH+](C)CC1 ZINC000020137157 207179235 /nfs/dbraw/zinc/17/92/35/207179235.db2.gz CIJVRDZRXLNYET-KRWDZBQOSA-N 2 0 375.513 2.382 50 0 GEAARP CCCC[N@H+](C)Cc1ccc(OC[C@H](O)CN2CC[NH+](CC)CC2)c(OC)c1 ZINC000020996395 207222832 /nfs/dbraw/zinc/22/28/32/207222832.db2.gz QHATXYQHAGMWQY-HXUWFJFHSA-N 2 0 393.572 2.304 50 0 GEAARP COCCN(Cc1ccccc1Cl)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072407650 208016373 /nfs/dbraw/zinc/01/63/73/208016373.db2.gz AZZRBLPWVPUOJL-GOSISDBHSA-N 2 0 379.932 2.389 50 0 GEAARP C[N@@H+]1CC2(C[C@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1)CC[NH2+]CC2 ZINC000072469926 208029141 /nfs/dbraw/zinc/02/91/41/208029141.db2.gz DZPGLRIBWCEIOT-FQEVSTJZSA-N 2 0 379.508 2.079 50 0 GEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(CC)Cc1cnn(CC)c1)CC[NH+](C)CC2 ZINC000072480151 208033706 /nfs/dbraw/zinc/03/37/06/208033706.db2.gz MSECSYBOMSMKAS-LJQANCHMSA-N 2 0 375.561 2.448 50 0 GEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3C)CC[C@H]21 ZINC000072478097 208033777 /nfs/dbraw/zinc/03/37/77/208033777.db2.gz VGROKYILFAKUAB-GHTZIAJQSA-N 2 0 381.524 2.213 50 0 GEAARP c1cncc(C[N@@H+]2CCCN(c3ncnc4sc5c(c43)CC[NH2+]C5)CC2)c1 ZINC000082147357 208082668 /nfs/dbraw/zinc/08/26/68/208082668.db2.gz FOVNSBNSRDYBOC-UHFFFAOYSA-N 2 0 380.521 2.444 50 0 GEAARP COc1ccc(CN2CCC([NH+](C)C)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095505404 208208473 /nfs/dbraw/zinc/20/84/73/208208473.db2.gz KHJCGRNWERDOFC-HXUWFJFHSA-N 2 0 393.572 2.301 50 0 GEAARP CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH+]3CCCCC3)cc2OC)CC1 ZINC000095501263 208202468 /nfs/dbraw/zinc/20/24/68/208202468.db2.gz ANOAKURYYCSLBZ-HXUWFJFHSA-N 2 0 391.556 2.058 50 0 GEAARP COc1cc(C[NH+]2CCCCCC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095511451 208213348 /nfs/dbraw/zinc/21/33/48/208213348.db2.gz QSEYHUGWQCUNGK-FQEVSTJZSA-N 2 0 392.540 2.268 50 0 GEAARP COc1ccc(C[NH+]2CCC(C)(CO)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095516480 208213760 /nfs/dbraw/zinc/21/37/60/208213760.db2.gz DUGSRWYBHDUMKX-IBGZPJMESA-N 2 0 394.556 2.370 50 0 GEAARP COc1ccc(C[NH+]2CCC(C)(CO)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095516481 208214901 /nfs/dbraw/zinc/21/49/01/208214901.db2.gz DUGSRWYBHDUMKX-LJQANCHMSA-N 2 0 394.556 2.370 50 0 GEAARP C[N@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1)C1CCSCC1 ZINC000095523640 208224748 /nfs/dbraw/zinc/22/47/48/208224748.db2.gz KBFYXROIEZTAIH-FQEVSTJZSA-N 2 0 394.581 2.210 50 0 GEAARP Cc1cc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2c(C)n[nH]c2C)C[C@@H]3CO)on1 ZINC000097784978 208361138 /nfs/dbraw/zinc/36/11/38/208361138.db2.gz MOYPDVPGMIPFJK-GOSISDBHSA-N 2 0 387.528 2.420 50 0 GEAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3cc(F)ccc3F)C[C@H]2C(=O)NC)CC1 ZINC000299801087 209090598 /nfs/dbraw/zinc/09/05/98/209090598.db2.gz XQRYZUXYTZGXML-XLIONFOSSA-N 2 0 394.510 2.118 50 0 GEAARP C[NH+](C)CCn1ncc(C(=O)N2CC[NH+](CC3CC3)CC2)c1-c1ccccc1 ZINC000253431651 209041647 /nfs/dbraw/zinc/04/16/47/209041647.db2.gz HSIQQYFJQNRDNH-UHFFFAOYSA-N 2 0 381.524 2.280 50 0 GEAARP O[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[C@H]1[NH+]1CCN(c2ccccn2)CC1 ZINC000071747381 136166078 /nfs/dbraw/zinc/16/60/78/136166078.db2.gz LSRASSADWBTPCX-FGZHOGPDSA-N 2 0 389.503 2.392 50 0 GEAARP CC(C)[NH2+]C[C@@H](O)COc1ccc(OC[C@@H](O)C[NH2+]C(C)C)c2ccccc12 ZINC000085406267 570225899 /nfs/dbraw/zinc/22/58/99/570225899.db2.gz PRXRSBPCJSFMDW-HDICACEKSA-N 2 0 390.524 2.315 50 0 GEAARP Oc1cccc(CN2CCCn3nc(CN4[C@@H]5CC[C@H]4C[C@@H](O)C5)cc3C2)c1 ZINC000102644898 570291122 /nfs/dbraw/zinc/29/11/22/570291122.db2.gz NJRLINGSNRCTEU-NGRWLJPCSA-N 2 0 382.508 2.482 50 0 GEAARP CCn1ccnc1CN1CCC(CCC(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000012301082 570298964 /nfs/dbraw/zinc/29/89/64/570298964.db2.gz BRKJWQAOIHMLON-IBGZPJMESA-N 2 0 375.561 2.496 50 0 GEAARP C[C@H](C(=O)NCC[NH+](C)C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034684525 570301252 /nfs/dbraw/zinc/30/12/52/570301252.db2.gz QUANXGOMXZRSQC-HXUWFJFHSA-N 2 0 394.563 2.460 50 0 GEAARP O[C@H](COc1ccccc1C[NH2+]CCOc1cccnc1)C[NH+]1CCCCC1 ZINC000011843962 570588185 /nfs/dbraw/zinc/58/81/85/570588185.db2.gz FJBWYQSMNLDRHS-FQEVSTJZSA-N 2 0 385.508 2.476 50 0 GEAARP C[C@H](O)CNC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012204180 570625388 /nfs/dbraw/zinc/62/53/88/570625388.db2.gz PJVHLQDLUYXRSL-IBGZPJMESA-N 2 0 387.568 2.293 50 0 GEAARP O=C(NCCC[NH+]1CCCC1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256356 570755022 /nfs/dbraw/zinc/75/50/22/570755022.db2.gz GHZJBMWFTFPYDU-OAQYLSRUSA-N 2 0 393.535 2.448 50 0 GEAARP O=C([C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCC[NH2+]CC1 ZINC000071763449 570850365 /nfs/dbraw/zinc/85/03/65/570850365.db2.gz OSSGPVNFTGFIQZ-JOCHJYFZSA-N 2 0 398.595 2.227 50 0 GEAARP Cc1cccc2[nH]c(C3CCN(C(=O)[C@@H]4CC5(C[NH2+]4)CC[NH2+]CC5)CC3)nc21 ZINC000072168567 570876733 /nfs/dbraw/zinc/87/67/33/570876733.db2.gz MYKRJVIWADTIDS-SFHVURJKSA-N 2 0 381.524 2.309 50 0 GEAARP CC[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]C3CCCC3)cc2OC)CC1 ZINC000019218587 570962243 /nfs/dbraw/zinc/96/22/43/570962243.db2.gz IZNFXKJTBFZOJS-HXUWFJFHSA-N 2 0 391.556 2.105 50 0 GEAARP Cc1c[nH+]ccc1NCCNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000426484831 231226510 /nfs/dbraw/zinc/22/65/10/231226510.db2.gz PWMWGSMBDVUQRC-UHFFFAOYSA-N 2 0 387.915 2.405 50 0 GEAARP C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](COc3cccc(C(F)(F)F)c3)C2)C1 ZINC000014747561 207029856 /nfs/dbraw/zinc/02/98/56/207029856.db2.gz RWLOULCYPJSWLA-UXLLHSPISA-N 2 0 399.457 2.472 50 0 GEAARP CCOc1cc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)ccc1O ZINC000015066805 207041991 /nfs/dbraw/zinc/04/19/91/207041991.db2.gz WXVWSIPWOHRWMQ-UHFFFAOYSA-N 2 0 377.529 2.461 50 0 GEAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000019839343 207166580 /nfs/dbraw/zinc/16/65/80/207166580.db2.gz XGNHIMACTCFBNU-NRFANRHFSA-N 2 0 375.557 2.440 50 0 GEAARP Cn1cc(CC[N@H+](C)Cc2ccc(OC[C@H](O)C[NH+]3CCCCC3)cc2)cn1 ZINC000020454040 207194442 /nfs/dbraw/zinc/19/44/42/207194442.db2.gz GNWKEKZVSAZRPV-OAQYLSRUSA-N 2 0 386.540 2.320 50 0 GEAARP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000020531726 207200170 /nfs/dbraw/zinc/20/01/70/207200170.db2.gz WYVMXVUVJIIMSZ-MRXNPFEDSA-N 2 0 377.529 2.095 50 0 GEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@@H]([NH+]1CCC(C)CC1)C2 ZINC000020877582 207218539 /nfs/dbraw/zinc/21/85/39/207218539.db2.gz FQSCOUVNIMROJH-GOSISDBHSA-N 2 0 387.572 2.270 50 0 GEAARP C[N@@H+](CCc1ccccc1)CCN1CC2(CC[NH+]([C@@H]3CCOC3)CC2)OC1=O ZINC000072407149 208015911 /nfs/dbraw/zinc/01/59/11/208015911.db2.gz ZIFHUXTYZOKLCQ-HXUWFJFHSA-N 2 0 387.524 2.237 50 0 GEAARP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072422901 208022919 /nfs/dbraw/zinc/02/29/19/208022919.db2.gz BRTXRDPAWHSFGB-OAQYLSRUSA-N 3 0 384.568 2.315 50 0 GEAARP C[NH+](C)[C@@H]1CCN(CCCN2CC3(CC[NH+](C4CCCC4)CC3)OC2=O)C1 ZINC000072434378 208025471 /nfs/dbraw/zinc/02/54/71/208025471.db2.gz VPCPUYJBQCMGJP-LJQANCHMSA-N 2 0 378.561 2.242 50 0 GEAARP CCOc1c(CN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cccc1OC ZINC000072438543 208027335 /nfs/dbraw/zinc/02/73/35/208027335.db2.gz LNZUZQIKLDCFKV-QGZVFWFLSA-N 2 0 375.513 2.126 50 0 GEAARP Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)n2)c1 ZINC000072480499 208032092 /nfs/dbraw/zinc/03/20/92/208032092.db2.gz OLOPYPDIADWBPF-KRWDZBQOSA-N 2 0 383.496 2.077 50 0 GEAARP COc1ccc(CN2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)cc1C[NH+]1CCCC1 ZINC000091270400 208114817 /nfs/dbraw/zinc/11/48/17/208114817.db2.gz FJUHVQYRGAIKMJ-UXHICEINSA-N 2 0 375.557 2.283 50 0 GEAARP CC[NH+](CC)CC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095362949 208164044 /nfs/dbraw/zinc/16/40/44/208164044.db2.gz FIDWOUBJIXBJSS-MTNREXPMSA-N 2 0 385.508 2.146 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000095508847 208210902 /nfs/dbraw/zinc/21/09/02/208210902.db2.gz PVMNTEHMXGVDCH-LJQANCHMSA-N 2 0 393.572 2.303 50 0 GEAARP COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095504751 208203147 /nfs/dbraw/zinc/20/31/47/208203147.db2.gz SPGIYOLGTAKSIC-IBGZPJMESA-N 2 0 380.529 2.386 50 0 GEAARP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000096003147 208251787 /nfs/dbraw/zinc/25/17/87/208251787.db2.gz OFQVZVAWORAWHO-HLAWJBBLSA-N 2 0 391.581 2.301 50 0 GEAARP Cc1noc(C)c1C[N@H+]1CCC2(CC[NH+](Cc3cncn3C)CC2)[C@@H](CO)C1 ZINC000097334309 208354932 /nfs/dbraw/zinc/35/49/32/208354932.db2.gz FQRHPWAOHRJTHP-GOSISDBHSA-N 2 0 387.528 2.122 50 0 GEAARP Nc1nc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000252536535 209036616 /nfs/dbraw/zinc/03/66/16/209036616.db2.gz IVDFKVBPOOXTRC-IZAXUBKRSA-N 2 0 379.508 2.324 50 0 GEAARP CC(C)[C@@H]1CN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)CCC[N@@H+]1CC1CC1 ZINC000244708191 570433245 /nfs/dbraw/zinc/43/32/45/570433245.db2.gz KPGVAIBIMYUILZ-NSHGMRRFSA-N 2 0 388.560 2.303 50 0 GEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1cn(CC)nc1C)CC[NH+](C)CC2 ZINC000426628833 570503094 /nfs/dbraw/zinc/50/30/94/570503094.db2.gz UJOBOGXTPABBMP-IBGZPJMESA-N 2 0 375.561 2.366 50 0 GEAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2cc(OC)ccc2OC)CC1 ZINC000022241660 570538500 /nfs/dbraw/zinc/53/85/00/570538500.db2.gz HOYCZZZXWOZHKM-UHFFFAOYSA-N 2 0 377.529 2.374 50 0 GEAARP COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012591067 570687181 /nfs/dbraw/zinc/68/71/81/570687181.db2.gz PMAXUGMCICFEAJ-FQEVSTJZSA-N 2 0 392.540 2.437 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH2+]Cc2cn(C)nc2C)ccc1OC ZINC000012591107 570687185 /nfs/dbraw/zinc/68/71/85/570687185.db2.gz SQKYERRTVDCHKC-IBGZPJMESA-N 2 0 390.528 2.108 50 0 GEAARP COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]C(C)(C)C)cc2)CC1 ZINC000012744529 570707673 /nfs/dbraw/zinc/70/76/73/570707673.db2.gz BKELATZKFVEKMO-SFHVURJKSA-N 2 0 378.513 2.199 50 0 GEAARP O=C(NCC[NH+]1CCCC1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256297 570755127 /nfs/dbraw/zinc/75/51/27/570755127.db2.gz MRDVJXGRXSPQPV-FQEVSTJZSA-N 2 0 379.508 2.058 50 0 GEAARP C[NH+]1CCN(c2ncnc3ccc(-c4cccc5c4O[C@@H](C[NH3+])C5)cc32)CC1 ZINC000067880423 570795707 /nfs/dbraw/zinc/79/57/07/570795707.db2.gz TVIWYGCVFXGZKZ-QGZVFWFLSA-N 2 0 375.476 2.311 50 0 GEAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC2CCC2)c1 ZINC000095523393 571089327 /nfs/dbraw/zinc/08/93/27/571089327.db2.gz QSANPAINMCWUMM-FQEVSTJZSA-N 2 0 392.540 2.124 50 0 GEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@H]([NH2+]Cc1ccccc1)C2 ZINC000014542545 207023342 /nfs/dbraw/zinc/02/33/42/207023342.db2.gz KUHLCTLBLPHDIC-IBGZPJMESA-N 2 0 395.551 2.328 50 0 GEAARP CCC[NH+]1CCC([NH+]2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)CC1 ZINC000014956171 207033846 /nfs/dbraw/zinc/03/38/46/207033846.db2.gz YYHMNUMAYFHIML-UHFFFAOYSA-N 2 0 376.549 2.175 50 0 GEAARP Cc1cccc(N2CC[NH+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)n1 ZINC000019336592 207117313 /nfs/dbraw/zinc/11/73/13/207117313.db2.gz UUFDUNYIUPYZKF-YADHBBJMSA-N 2 0 378.520 2.249 50 0 GEAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[NH2+]CCc3ccccc3)c2)CC1 ZINC000020419356 207192242 /nfs/dbraw/zinc/19/22/42/207192242.db2.gz RINIZWWLDBKOTH-QHCPKHFHSA-N 2 0 397.563 2.396 50 0 GEAARP COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@@H](O)CN1CC[NH+](C)CC1 ZINC000020542751 207201999 /nfs/dbraw/zinc/20/19/99/207201999.db2.gz JUZVEWPISPHYDA-FQEVSTJZSA-N 2 0 391.556 2.058 50 0 GEAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH2+]Cc3ccccc3)c2)CC1 ZINC000020919754 207218912 /nfs/dbraw/zinc/21/89/12/207218912.db2.gz JHOXFASPJMFNOC-JOCHJYFZSA-N 2 0 383.536 2.354 50 0 GEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1nc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072425770 208023359 /nfs/dbraw/zinc/02/33/59/208023359.db2.gz YSFGMARDRLQPHG-MRXNPFEDSA-N 2 0 377.533 2.348 50 0 GEAARP CC(C)N(C(=O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)C(C)C ZINC000089856800 208109505 /nfs/dbraw/zinc/10/95/05/208109505.db2.gz BLYJLSNOBUKFIK-UHFFFAOYSA-N 2 0 394.604 2.336 50 0 GEAARP CC1(C)C[N@H+](Cc2cnn(-c3ccccc3)c2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091915273 208141378 /nfs/dbraw/zinc/14/13/78/208141378.db2.gz IKXUDJOICXZWOY-JOCHJYFZSA-N 2 0 384.524 2.168 50 0 GEAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+](C)CC3CCC3)c2)CC1 ZINC000095506345 208206957 /nfs/dbraw/zinc/20/69/57/208206957.db2.gz VSROHUSFNRLMMZ-NRFANRHFSA-N 2 0 375.557 2.296 50 0 GEAARP C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000095505091 208208721 /nfs/dbraw/zinc/20/87/21/208208721.db2.gz RMGFCDJLCPRGSB-LJQANCHMSA-N 2 0 375.561 2.417 50 0 GEAARP COc1ccc(C[NH+]2CCC(CO)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095516907 208215488 /nfs/dbraw/zinc/21/54/88/208215488.db2.gz HXNCJKCDAXCRTM-FQEVSTJZSA-N 2 0 392.540 2.125 50 0 GEAARP O=C(N[C@@H]1CC[NH2+]C1)c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000095519351 208217756 /nfs/dbraw/zinc/21/77/56/208217756.db2.gz UJINAVVNVKJAMR-LJQANCHMSA-N 2 0 380.492 2.217 50 0 GEAARP C[NH+]1CCN(Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522878 208222216 /nfs/dbraw/zinc/22/22/16/208222216.db2.gz KTWQQMSWXBOXQP-HSZRJFAPSA-N 2 0 395.547 2.232 50 0 GEAARP C[NH2+]CC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095523818 208223250 /nfs/dbraw/zinc/22/32/50/208223250.db2.gz XNIPBSFBAMOWRD-QFIPXVFZSA-N 2 0 385.552 2.093 50 0 GEAARP COCc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000253378515 209039537 /nfs/dbraw/zinc/03/95/37/209039537.db2.gz PSAQLHWNEQIWFY-CALCHBBNSA-N 2 0 382.512 2.248 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCCn2ccnc2)cc1OC ZINC000012441386 570664534 /nfs/dbraw/zinc/66/45/34/570664534.db2.gz NNZTVEAFQNRBHV-LJQANCHMSA-N 2 0 390.528 2.153 50 0 GEAARP Cc1cccc(-c2ncc(C[NH2+]CCC(=O)N3CC[NH+](C(C)C)CC3)cn2)c1 ZINC000063883425 570752599 /nfs/dbraw/zinc/75/25/99/570752599.db2.gz KYLHHTYSSSTIRK-UHFFFAOYSA-N 2 0 381.524 2.484 50 0 GEAARP Cc1sc2nc(CC[NH3+])nc(N(CC[NH+](C)C)C[C@H]3CCCO3)c2c1C ZINC000065381680 570762977 /nfs/dbraw/zinc/76/29/77/570762977.db2.gz POUAGMNWCKKVCQ-OAHLLOKOSA-N 2 0 377.558 2.356 50 0 GEAARP COc1ccc2[nH]c(=O)c(C[NH+]3CCC([C@@H](C)[NH+]4CCOCC4)CC3)cc2c1 ZINC000067910251 570796703 /nfs/dbraw/zinc/79/67/03/570796703.db2.gz FOFCRRIQNUVBSD-MRXNPFEDSA-N 2 0 385.508 2.469 50 0 GEAARP COc1ccc(COC[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000005866427 570799316 /nfs/dbraw/zinc/79/93/16/570799316.db2.gz JRAFYZJUFFVRCU-QGZVFWFLSA-N 2 0 380.529 2.480 50 0 GEAARP CNc1cc(C)[nH+]c(N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071751253 570846916 /nfs/dbraw/zinc/84/69/16/570846916.db2.gz XUDUKFIBENETRH-QGZVFWFLSA-N 2 0 386.544 2.130 50 0 GEAARP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]C3CCCC3)c2)CC1 ZINC000014980486 207039050 /nfs/dbraw/zinc/03/90/50/207039050.db2.gz URCMGTNXIYOPIQ-FQEVSTJZSA-N 2 0 390.524 2.344 50 0 GEAARP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000020531757 207201113 /nfs/dbraw/zinc/20/11/13/207201113.db2.gz KGQNHPZPOJVBBI-UHFFFAOYSA-N 2 0 391.556 2.485 50 0 GEAARP C[NH+](C)CCN1CC2(CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)OC1=O ZINC000072457315 208028432 /nfs/dbraw/zinc/02/84/32/208028432.db2.gz IRICYTRJIVARFW-UHFFFAOYSA-N 2 0 383.496 2.425 50 0 GEAARP C[N@@H+](CCc1ccccc1)CCN1CC2(CCN(CC(C)(C)[NH3+])CC2)OC1=O ZINC000072463659 208031591 /nfs/dbraw/zinc/03/15/91/208031591.db2.gz ULNWQTXZFZWJAU-UHFFFAOYSA-N 2 0 388.556 2.185 50 0 GEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(CC)Cc1cnn(CC)c1)CC[NH+](C)CC2 ZINC000072480152 208033091 /nfs/dbraw/zinc/03/30/91/208033091.db2.gz MSECSYBOMSMKAS-IBGZPJMESA-N 2 0 375.561 2.448 50 0 GEAARP CC[NH+]1CCN(CC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CC1 ZINC000076061121 208035925 /nfs/dbraw/zinc/03/59/25/208035925.db2.gz JECBSNJJIURUDX-UHFFFAOYSA-N 2 0 376.570 2.120 50 0 GEAARP C[C@@H]1C[N@H+](Cc2ccccc2OCCN2CC[NH+](C)CC2)CC[C@@]1(O)C1CC1 ZINC000091594442 208125188 /nfs/dbraw/zinc/12/51/88/208125188.db2.gz XSKWJUDIQALZLW-XXBNENTESA-N 2 0 387.568 2.296 50 0 GEAARP COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1OC1CC[NH+](C)CC1 ZINC000095513161 208212849 /nfs/dbraw/zinc/21/28/49/208212849.db2.gz MUKRKTQZHWSRLH-ZWKOTPCHSA-N 2 0 387.524 2.477 50 0 GEAARP COc1cc(C[NH+]2CCCCC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095519992 208219411 /nfs/dbraw/zinc/21/94/11/208219411.db2.gz CSOQTFUSVFNDBY-SFHVURJKSA-N 2 0 380.554 2.470 50 0 GEAARP Cc1nn(C)cc1C[N@@H+]1CCC2(CC[NH+](Cc3cccnc3)CC2)[C@@H](CO)C1 ZINC000097514988 208354118 /nfs/dbraw/zinc/35/41/18/208354118.db2.gz HBWNRTNUARFRJR-OAQYLSRUSA-N 2 0 383.540 2.220 50 0 GEAARP Cc1c(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nnn1C1CC[NH2+]CC1 ZINC000237234462 570340379 /nfs/dbraw/zinc/34/03/79/570340379.db2.gz LOPXWZGUCPGSRA-IBGZPJMESA-N 2 0 396.539 2.105 50 0 GEAARP COc1ccc(OC[C@@H](O)C[NH+](C)C)c(C[NH2+]CCc2ccccc2F)c1 ZINC000011946424 570595045 /nfs/dbraw/zinc/59/50/45/570595045.db2.gz RYSFLJGJKMJLNN-SFHVURJKSA-N 2 0 376.472 2.468 50 0 GEAARP CC[NH+](CC)CCN1C(=O)N(CC[NH+](CC)CC)C(=O)C(CC)(CC)C1=O ZINC000004748492 570632552 /nfs/dbraw/zinc/63/25/52/570632552.db2.gz QYHIVCXULRCUKC-UHFFFAOYSA-N 2 0 382.549 2.267 50 0 GEAARP C[NH+]1CCC(N2CCC[C@@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431331 570659672 /nfs/dbraw/zinc/65/96/72/570659672.db2.gz YCLUZZSJZPWLPI-LJQANCHMSA-N 2 0 376.589 2.460 50 0 GEAARP O=C1Nc2ccccc2NC12CC[NH+](C[C@]1(O)CCC[N@@H+]3CCCC[C@@H]31)CC2 ZINC000063832494 570750810 /nfs/dbraw/zinc/75/08/10/570750810.db2.gz FMTUGQULVLTVMV-DENIHFKCSA-N 2 0 384.524 2.265 50 0 GEAARP O=C(NC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071416060 570833604 /nfs/dbraw/zinc/83/36/04/570833604.db2.gz BDJNTIOUTKKWED-OAQYLSRUSA-N 2 0 398.595 2.274 50 0 GEAARP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071746114 570845270 /nfs/dbraw/zinc/84/52/70/570845270.db2.gz IQEHYTYLUSDNFN-OAQYLSRUSA-N 2 0 386.584 2.083 50 0 GEAARP C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071751021 570846938 /nfs/dbraw/zinc/84/69/38/570846938.db2.gz AEHFCKXPSZFJSM-KRWDZBQOSA-N 2 0 399.539 2.186 50 0 GEAARP [NH3+]C1CCN(C(=O)[C@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000071765390 570851578 /nfs/dbraw/zinc/85/15/78/570851578.db2.gz HLKQAEUNWBMNKN-NRFANRHFSA-N 2 0 398.595 2.355 50 0 GEAARP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012302160 206880447 /nfs/dbraw/zinc/88/04/47/206880447.db2.gz ZOZDDRYTYJMNSI-FQEVSTJZSA-N 3 0 393.572 2.207 50 0 GEAARP CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC[NH+](C)C)C(=O)N2CCC(C)C ZINC000014741663 207027734 /nfs/dbraw/zinc/02/77/34/207027734.db2.gz GWYUSEADBUFPBQ-QGZVFWFLSA-N 2 0 398.617 2.444 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014747517 207029047 /nfs/dbraw/zinc/02/90/47/207029047.db2.gz OARLJECWCOPVTQ-WMQCIHAUSA-N 2 0 385.552 2.380 50 0 GEAARP O[C@@H](COc1ccccc1C[NH2+]CCc1ccncc1)C[NH+]1CCSCC1 ZINC000019222534 207107908 /nfs/dbraw/zinc/10/79/08/207107908.db2.gz HPVIFOUVMJRUAB-HXUWFJFHSA-N 2 0 387.549 2.202 50 0 GEAARP Cn1cc(CC[N@H+](C)Cc2ccc(OC[C@@H](O)C[NH+]3CCCCC3)cc2)cn1 ZINC000020454038 207194373 /nfs/dbraw/zinc/19/43/73/207194373.db2.gz GNWKEKZVSAZRPV-NRFANRHFSA-N 2 0 386.540 2.320 50 0 GEAARP CCCC[N@H+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2 ZINC000020531744 207201530 /nfs/dbraw/zinc/20/15/30/207201530.db2.gz BCKLKXILIYHQKE-UHFFFAOYSA-N 2 0 379.545 2.343 50 0 GEAARP CCC[N@H+](C)Cc1cc2n(n1)CCN(C(=O)c1ccccc1[C@H]1CC[NH2+]C1)C2 ZINC000072425808 208021394 /nfs/dbraw/zinc/02/13/94/208021394.db2.gz XQRVZWQVCXECGV-KRWDZBQOSA-N 2 0 381.524 2.458 50 0 GEAARP CCCN(Cc1nccn1C)C(=O)[C@@H]1CC2(C[N@@H+]1CCC)CC[NH+](C)CC2 ZINC000072422256 208021517 /nfs/dbraw/zinc/02/15/17/208021517.db2.gz VOCPMQCDEPDMHY-SFHVURJKSA-N 2 0 375.561 2.355 50 0 GEAARP C[NH2+]CCN1C(=O)CC[C@H]2C[N@@H+](Cc3cnn(-c4cccc(C)c4)c3)CC[C@H]21 ZINC000072435815 208024739 /nfs/dbraw/zinc/02/47/39/208024739.db2.gz ALYHRRCMDRTHBE-PZJWPPBQSA-N 2 0 381.524 2.213 50 0 GEAARP C[N@@H+]1CCCN(C[C@H]2C[C@H](CO)C[NH+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000091645259 208128272 /nfs/dbraw/zinc/12/82/72/208128272.db2.gz RLJMMERUORPOKW-HESYWAASSA-N 2 0 375.532 2.407 50 0 GEAARP CC1(C)C[N@H+](CCCOc2ccc(F)cc2)CC[C@@]1(O)C[NH+]1CCOCC1 ZINC000091845647 208137325 /nfs/dbraw/zinc/13/73/25/208137325.db2.gz VIZOOCVVDHUWAB-OAQYLSRUSA-N 2 0 380.504 2.390 50 0 GEAARP C[NH+](C)CCCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095352080 208156653 /nfs/dbraw/zinc/15/66/53/208156653.db2.gz PKJGKCXKHRSJNR-MTNREXPMSA-N 2 0 385.508 2.146 50 0 GEAARP C[NH+]1CCN(Cc2ccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507836 208207953 /nfs/dbraw/zinc/20/79/53/208207953.db2.gz OXYMVKQOQGQIFQ-QHCPKHFHSA-N 2 0 395.547 2.232 50 0 GEAARP CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@H](O)C[NH+]3CCCCC3)c2)CC1 ZINC000095516725 208218130 /nfs/dbraw/zinc/21/81/30/208218130.db2.gz NZYWOFUZYRWLIY-HXUWFJFHSA-N 2 0 391.556 2.058 50 0 GEAARP COc1cc(C[NH+]2CCC(C)CC2)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095522469 208220045 /nfs/dbraw/zinc/22/00/45/208220045.db2.gz UMOUSDCAZMFPBU-FQEVSTJZSA-N 2 0 392.540 2.124 50 0 GEAARP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[N@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000096012396 208254169 /nfs/dbraw/zinc/25/41/69/208254169.db2.gz IZUIPSQIWPNMNJ-HJNYFJLDSA-N 2 0 398.595 2.181 50 0 GEAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](Cc2ccccc2F)CC1 ZINC000096133735 208268570 /nfs/dbraw/zinc/26/85/70/208268570.db2.gz PCBDPZWXZYVOBG-UHFFFAOYSA-N 2 0 386.519 2.081 50 0 GEAARP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC1)CC[N@@H+](C1CCOCC1)C[C@@H]2CO ZINC000097522008 208354454 /nfs/dbraw/zinc/35/44/54/208354454.db2.gz VRRPSWIARJBELQ-GOSISDBHSA-N 2 0 376.545 2.102 50 0 GEAARP C[C@H](C1CC[NH+](CCN2CCN(c3ccccc3)CC2)CC1)[NH+]1CCOCC1 ZINC000299799562 209090154 /nfs/dbraw/zinc/09/01/54/209090154.db2.gz SRZZEEQJFABXRG-OAQYLSRUSA-N 2 0 386.584 2.241 50 0 GEAARP O=C(NC[C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584903076 570270436 /nfs/dbraw/zinc/27/04/36/570270436.db2.gz JFMUITBWDQSMCP-GOSISDBHSA-N 2 0 383.496 2.418 50 0 GEAARP C[C@@H]1C[N@H+](C2CCN(C(=O)CC3=CSC4=NCCCN34)CC2)C[C@H](C)O1 ZINC000102728155 570291879 /nfs/dbraw/zinc/29/18/79/570291879.db2.gz WACOLYIVZBJRSY-GASCZTMLSA-N 2 0 378.542 2.127 50 0 GEAARP O[C@@H](COc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000000753196 570314511 /nfs/dbraw/zinc/31/45/11/570314511.db2.gz PQZRNQWHTLRBHA-WOJBJXKFSA-N 2 0 392.540 2.138 50 0 GEAARP Cc1cc(-n2cccn2)ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000039461254 570592095 /nfs/dbraw/zinc/59/20/95/570592095.db2.gz NKRIEDFFKFWRDU-HSZRJFAPSA-N 2 0 397.567 2.144 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000012751681 570709664 /nfs/dbraw/zinc/70/96/64/570709664.db2.gz IQUGGQPTNVHIAE-GOSISDBHSA-N 2 0 377.529 2.365 50 0 GEAARP O=C(NCCC[NH+]1CCCC1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065256026 570754664 /nfs/dbraw/zinc/75/46/64/570754664.db2.gz JCANTBBRSYTQOB-OAQYLSRUSA-N 2 0 393.535 2.448 50 0 GEAARP COCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000067434885 570779949 /nfs/dbraw/zinc/77/99/49/570779949.db2.gz KKQOPGGOQBTVCH-HXUWFJFHSA-N 2 0 385.552 2.093 50 0 GEAARP COc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)CC2)ccc1OCC(N)=O ZINC000067674075 570785183 /nfs/dbraw/zinc/78/51/83/570785183.db2.gz KFJUKMTZWQCASO-UHFFFAOYSA-N 2 0 375.513 2.257 50 0 GEAARP O=C(NC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1 ZINC000071416059 570833624 /nfs/dbraw/zinc/83/36/24/570833624.db2.gz BDJNTIOUTKKWED-NRFANRHFSA-N 2 0 398.595 2.274 50 0 GEAARP CC(C)(CO)NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071760175 570849561 /nfs/dbraw/zinc/84/95/61/570849561.db2.gz BTPQMCHWXMPZNJ-FQEVSTJZSA-N 2 0 399.579 2.217 50 0 GEAARP O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426474188 231224364 /nfs/dbraw/zinc/22/43/64/231224364.db2.gz GXXXMKDZKGASSI-OAQYLSRUSA-N 2 0 395.551 2.346 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CN(Cc1nccn1C)CC1CC[NH+](CCOC)CC1 ZINC000019595639 207143521 /nfs/dbraw/zinc/14/35/21/207143521.db2.gz QYAPIMOYSHHNOF-FQEVSTJZSA-N 2 0 377.577 2.065 50 0 GEAARP CN1CC[NH+](Cc2c3c(c(C[NH+]4CCN(C)CC4)c4c2CCC4)CCC3)CC1 ZINC000019802245 207162358 /nfs/dbraw/zinc/16/23/58/207162358.db2.gz AHDMXNQQAYOPPT-UHFFFAOYSA-N 2 0 382.596 2.159 50 0 GEAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@H+](C)Cc3cccnc3)c2)CC1 ZINC000022913392 207263239 /nfs/dbraw/zinc/26/32/39/207263239.db2.gz BYZZDKCBVXRMRP-JOCHJYFZSA-N 2 0 398.551 2.091 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CN(Cc1cnn(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022912117 207264045 /nfs/dbraw/zinc/26/40/45/207264045.db2.gz SRSVPSQINNBBKN-NRFANRHFSA-N 2 0 377.577 2.065 50 0 GEAARP Cc1ccccc1-n1cc(CN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cn1 ZINC000072428108 208021050 /nfs/dbraw/zinc/02/10/50/208021050.db2.gz MNKPOCCGOYDPTR-FQEVSTJZSA-N 2 0 381.524 2.213 50 0 GEAARP O=C(CCc1cc2n(n1)CCC[NH2+]C2)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000072431733 208023977 /nfs/dbraw/zinc/02/39/77/208023977.db2.gz PUDOYFUKTVHPNG-FQEVSTJZSA-N 2 0 381.524 2.090 50 0 GEAARP C[NH+](C)[C@H]1CCN(CCCN2CC3(CC[NH+](C4CCCC4)CC3)OC2=O)C1 ZINC000072434379 208024489 /nfs/dbraw/zinc/02/44/89/208024489.db2.gz VPCPUYJBQCMGJP-IBGZPJMESA-N 2 0 378.561 2.242 50 0 GEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nc(C3CC3)no1)CC[NH+](C)CC2 ZINC000072431830 208024642 /nfs/dbraw/zinc/02/46/42/208024642.db2.gz LGQYBMFEEZJLHM-INIZCTEOSA-N 2 0 375.517 2.102 50 0 GEAARP CSCC[C@H]([NH3+])C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091593592 208126492 /nfs/dbraw/zinc/12/64/92/208126492.db2.gz IVCNDHMOVMEXHG-SFHVURJKSA-N 2 0 379.574 2.118 50 0 GEAARP COC[C@@]12CC[C@@H]([NH+]3CCOCC3)C[C@H]1CC[N@H+](CCn1cc(Cl)cn1)C2 ZINC000095379776 208171516 /nfs/dbraw/zinc/17/15/16/208171516.db2.gz AYIPLSUXMAPFPM-RLLQIKCJSA-N 2 0 396.963 2.376 50 0 GEAARP COCCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091964655 208144399 /nfs/dbraw/zinc/14/43/99/208144399.db2.gz LHOCNXZGHBXCQV-NRFANRHFSA-N 2 0 399.579 2.483 50 0 GEAARP COc1cc(C[NH+]2CCC(O)CC2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1 ZINC000095506985 208207866 /nfs/dbraw/zinc/20/78/66/208207866.db2.gz RNHPRCQYXGCHTN-FQEVSTJZSA-N 2 0 392.540 2.268 50 0 GEAARP COc1ccc(C[NH+]2CCC(OC)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095496578 208197174 /nfs/dbraw/zinc/19/71/74/208197174.db2.gz AOXVKINZWCJVLN-SFHVURJKSA-N 2 0 380.529 2.386 50 0 GEAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC(C)(C)C)c1 ZINC000095527675 208225618 /nfs/dbraw/zinc/22/56/18/208225618.db2.gz NHMZZGVQQAKNLJ-LJQANCHMSA-N 2 0 394.556 2.370 50 0 GEAARP CN(CC[NH+](C)C)Cc1cccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095527786 208225693 /nfs/dbraw/zinc/22/56/93/208225693.db2.gz FUYMBRNAKWGEFF-HSZRJFAPSA-N 2 0 397.563 2.478 50 0 GEAARP C[N@H+](CCCO)Cc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1 ZINC000095526263 208227104 /nfs/dbraw/zinc/22/71/04/208227104.db2.gz LSPSMHBMWQTBMR-QFIPXVFZSA-N 2 0 384.520 2.299 50 0 GEAARP CN(CC1CC[NH+](CCO)CC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299783773 209089369 /nfs/dbraw/zinc/08/93/69/209089369.db2.gz YFMSREZBKMBAJU-BDTNDASRSA-N 2 0 385.552 2.375 50 0 GEAARP O=C1C[C@H]2CC[C@@H](CN1CCC[NH+]1CCN(c3cccc(Cl)c3)CC1)[NH2+]2 ZINC000095506954 136180303 /nfs/dbraw/zinc/18/03/03/136180303.db2.gz QQKCNZMGQATIAD-MSOLQXFVSA-N 2 0 376.932 2.205 50 0 GEAARP CCc1cc(N2CCC([NH2+]Cc3cccnc3)CC2)nc(N2CCOCC2)[nH+]1 ZINC000095517035 136181066 /nfs/dbraw/zinc/18/10/66/136181066.db2.gz WKWRMVDAFMAFFV-UHFFFAOYSA-N 2 0 382.512 2.029 50 0 GEAARP CC(C)NC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000067785837 570791277 /nfs/dbraw/zinc/79/12/77/570791277.db2.gz SRZJALGIICRTJF-PMACEKPBSA-N 2 0 386.540 2.129 50 0 GEAARP C[N@H+](CCc1ccccc1)C1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000072126553 570867643 /nfs/dbraw/zinc/86/76/43/570867643.db2.gz CRBIQBYVDZFLPM-ZRZAMGCNSA-N 2 0 389.543 2.376 50 0 GEAARP Cc1cc(C)n(CCNC(=O)[C@H]2CCC[N@@H+](C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000015066194 207043255 /nfs/dbraw/zinc/04/32/55/207043255.db2.gz LPDMVCXVCAKZQX-IBGZPJMESA-N 2 0 375.561 2.201 50 0 GEAARP O[C@@H](COc1ccccc1C[NH2+]CCc1ccccn1)C[NH+]1CCSCC1 ZINC000015073358 207043914 /nfs/dbraw/zinc/04/39/14/207043914.db2.gz MMUKRQHMMBDUKP-HXUWFJFHSA-N 2 0 387.549 2.202 50 0 GEAARP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]CCc3ccccc3)cc2)CC1 ZINC000020783313 207214831 /nfs/dbraw/zinc/21/48/31/207214831.db2.gz KCPBURQAZAZMAC-JOCHJYFZSA-N 2 0 383.536 2.006 50 0 GEAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3cc(C)ccc3C)C[C@H]2C(=O)NC)CC1 ZINC000023363027 207274256 /nfs/dbraw/zinc/27/42/56/207274256.db2.gz SAXJJPMSYHVORQ-IRLDBZIGSA-N 2 0 386.584 2.456 50 0 GEAARP CC1(C)CC(Nc2ncc(S(C)(=O)=O)c([C@@H]3CCC[NH2+]C3)n2)CC(C)(C)[NH2+]1 ZINC000072418963 208018024 /nfs/dbraw/zinc/01/80/24/208018024.db2.gz IOARIUPGQQRELT-CYBMUJFWSA-N 2 0 395.573 2.068 50 0 GEAARP COc1cc2c(cc1C[NH+]1CCC([C@H](C)[NH+]3CCOCC3)CC1)OCCO2 ZINC000072420260 208020481 /nfs/dbraw/zinc/02/04/81/208020481.db2.gz IUYOKFIWARBCCF-INIZCTEOSA-N 2 0 376.497 2.399 50 0 GEAARP Cc1ccccc1-n1cc(CN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)cn1 ZINC000072428109 208021097 /nfs/dbraw/zinc/02/10/97/208021097.db2.gz MNKPOCCGOYDPTR-HXUWFJFHSA-N 2 0 381.524 2.213 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccnc1 ZINC000015068746 208035777 /nfs/dbraw/zinc/03/57/77/208035777.db2.gz WYHBRHDRGGMNJS-OAQYLSRUSA-N 2 0 388.556 2.367 50 0 GEAARP COc1ccc([C@@H]2CN(C(=O)C3(C)CC[NH2+]CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095366845 208163697 /nfs/dbraw/zinc/16/36/97/208163697.db2.gz ANEXUCPESSUOSZ-PWRODBHTSA-N 2 0 383.536 2.474 50 0 GEAARP CCn1ccc2cc(C[N@@H+]3C[C@H](CO)[C@H](CN4CC[NH+](CC)CC4)C3)ccc21 ZINC000095370918 208166406 /nfs/dbraw/zinc/16/64/06/208166406.db2.gz DPRRIWFCNZNDQA-FGZHOGPDSA-N 2 0 384.568 2.339 50 0 GEAARP COc1cc(C[NH+]2CCC(O)CC2)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095506984 208205946 /nfs/dbraw/zinc/20/59/46/208205946.db2.gz RNHPRCQYXGCHTN-HXUWFJFHSA-N 2 0 392.540 2.268 50 0 GEAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH+]2CCCCCC2)c1 ZINC000095504875 208204824 /nfs/dbraw/zinc/20/48/24/208204824.db2.gz HSBFCTANUKBNEH-FQEVSTJZSA-N 2 0 392.540 2.268 50 0 GEAARP COc1cc(C[NH+]2CCC(F)CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095504933 208205184 /nfs/dbraw/zinc/20/51/84/208205184.db2.gz ZFUQYGCHMKPKGH-SFHVURJKSA-N 2 0 398.544 2.418 50 0 GEAARP COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095522478 208221238 /nfs/dbraw/zinc/22/12/38/208221238.db2.gz GVLJLHYJOJDSMY-HXUWFJFHSA-N 2 0 393.572 2.301 50 0 GEAARP CN(CC[NH+](C)C)Cc1cccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000095527787 208227815 /nfs/dbraw/zinc/22/78/15/208227815.db2.gz FUYMBRNAKWGEFF-QHCPKHFHSA-N 2 0 397.563 2.478 50 0 GEAARP Cc1sc2nc(CC[NH3+])nc(N3CC[N@H+](CC4CC4)[C@H](CCO)C3)c2c1C ZINC000065405605 136163902 /nfs/dbraw/zinc/16/39/02/136163902.db2.gz XHQWUSYEUBULQC-MRXNPFEDSA-N 2 0 389.569 2.092 50 0 GEAARP CN(C)C(=O)[C@H]1CCC[NH+]1CCCCCCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000072309065 570530197 /nfs/dbraw/zinc/53/01/97/570530197.db2.gz MLELBJXKVZSNIX-WOJBJXKFSA-N 2 0 394.604 2.432 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]CCCn2ccnc2)ccc1OC ZINC000011935226 570593376 /nfs/dbraw/zinc/59/33/76/570593376.db2.gz ZDAOZYQYNBDRKH-LJQANCHMSA-N 2 0 390.528 2.153 50 0 GEAARP CCn1cc(C[NH2+]Cc2ccc(OC)c(OC[C@@H](O)C[N@H+](C)C(C)C)c2)cn1 ZINC000012073223 570604614 /nfs/dbraw/zinc/60/46/14/570604614.db2.gz NNRODNCWXLCWJJ-IBGZPJMESA-N 2 0 390.528 2.281 50 0 GEAARP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048462704 570658744 /nfs/dbraw/zinc/65/87/44/570658744.db2.gz KRHDJXJCFQHKQC-GOSISDBHSA-N 2 0 392.507 2.047 50 0 GEAARP Cc1c[nH+]ccc1N1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000065467702 570770178 /nfs/dbraw/zinc/77/01/78/570770178.db2.gz JIEZXZLAONTQHB-UHFFFAOYSA-N 2 0 381.480 2.030 50 0 GEAARP COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000067714555 570788042 /nfs/dbraw/zinc/78/80/42/570788042.db2.gz LGDIDJUKFNCOKO-MRXNPFEDSA-N 2 0 383.496 2.390 50 0 GEAARP C[NH+]1CCN(c2ncnc3ccc(-c4cccc5c4O[C@H](C[NH3+])C5)cc32)CC1 ZINC000067880420 570795897 /nfs/dbraw/zinc/79/58/97/570795897.db2.gz TVIWYGCVFXGZKZ-KRWDZBQOSA-N 2 0 375.476 2.311 50 0 GEAARP CC(C)(CO)NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071760174 570849577 /nfs/dbraw/zinc/84/95/77/570849577.db2.gz BTPQMCHWXMPZNJ-HXUWFJFHSA-N 2 0 399.579 2.217 50 0 GEAARP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071763685 570850991 /nfs/dbraw/zinc/85/09/91/570850991.db2.gz RZPWYZIATQHABF-QGZVFWFLSA-N 2 0 399.539 2.186 50 0 GEAARP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)CC1 ZINC000170607424 570864189 /nfs/dbraw/zinc/86/41/89/570864189.db2.gz GVRJGZQUCLPXNL-UHFFFAOYSA-N 2 0 390.547 2.390 50 0 GEAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N(CCc1ccccc1)Cc1cccnc1 ZINC000072143931 570870515 /nfs/dbraw/zinc/87/05/15/570870515.db2.gz IWDKWQOAQNHWRQ-OAQYLSRUSA-N 2 0 378.520 2.385 50 0 GEAARP COc1ccc(CNCC(C)(C)C[NH+](C)C)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015061946 210145820 /nfs/dbraw/zinc/14/58/20/210145820.db2.gz JTMJVXFJZFLPAP-IBGZPJMESA-N 2 0 395.588 2.453 50 0 GEAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCC(C)C)c1 ZINC000012751886 210001977 /nfs/dbraw/zinc/00/19/77/210001977.db2.gz UGVCIUZVKJWCNV-LJQANCHMSA-N 2 0 380.529 2.027 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1F ZINC000058174297 531827771 /nfs/dbraw/zinc/82/77/71/531827771.db2.gz XYMKPMKSBDONAB-AWEZNQCLSA-N 2 0 375.485 2.001 50 0 GEAARP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH+]3CCC(C)(C)CC3)cc2)CC1 ZINC000095517231 211264145 /nfs/dbraw/zinc/26/41/45/211264145.db2.gz MACMCPYQHFXVQQ-HXUWFJFHSA-N 2 0 375.557 2.296 50 0 GEAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC(C)(C)C)c1 ZINC000095527676 211272996 /nfs/dbraw/zinc/27/29/96/211272996.db2.gz NHMZZGVQQAKNLJ-IBGZPJMESA-N 2 0 394.556 2.370 50 0 GEAARP C[NH+]1CCN(C[C@H](O)COc2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000095517262 211264951 /nfs/dbraw/zinc/26/49/51/211264951.db2.gz SCULXUDQGWDTDO-NRFANRHFSA-N 2 0 387.568 2.440 50 0 GEAARP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[N@@H+]3CCC4(CCCC4)C3)cc2)CC1 ZINC000095517263 211264502 /nfs/dbraw/zinc/26/45/02/211264502.db2.gz SCULXUDQGWDTDO-OAQYLSRUSA-N 2 0 387.568 2.440 50 0 GEAARP CN(C)C(=O)C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095503936 211256051 /nfs/dbraw/zinc/25/60/51/211256051.db2.gz VNVCPAGUUCZRCJ-QHCPKHFHSA-N 2 0 399.579 2.435 50 0 GEAARP CC(C)Oc1cccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCC[NH+](C)CC3)C2)c1 ZINC000091391174 211190699 /nfs/dbraw/zinc/19/06/99/211190699.db2.gz GKNXCNSUSKPELU-NHCUHLMSSA-N 2 0 375.557 2.152 50 0 GEAARP [NH3+]CCCCCC(=O)N1CCC[C@@H]([NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000072125260 211072481 /nfs/dbraw/zinc/07/24/81/211072481.db2.gz NZKANOWOZRXZQB-HXUWFJFHSA-N 2 0 376.520 2.458 50 0 GEAARP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071751020 211055306 /nfs/dbraw/zinc/05/53/06/211055306.db2.gz AEHFCKXPSZFJSM-QGZVFWFLSA-N 2 0 399.539 2.186 50 0 GEAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3cccc(F)c3)C[C@H]2C(=O)NCC)CC1 ZINC000023363053 210442777 /nfs/dbraw/zinc/44/27/77/210442777.db2.gz RNNZHOJJKUAGPS-CTNGQTDRSA-N 2 0 390.547 2.369 50 0 GEAARP CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CC[NH+](CC)CC2 ZINC000020531742 210343464 /nfs/dbraw/zinc/34/34/64/210343464.db2.gz YPDBNJZKJBDEAH-GOSISDBHSA-N 2 0 391.556 2.485 50 0 GEAARP CCN1CC[NH+](C2CCN(C(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)CC2)CC1 ZINC000020472549 210339757 /nfs/dbraw/zinc/33/97/57/210339757.db2.gz WRGZSPOCCXNTSJ-KRWDZBQOSA-N 2 0 376.570 2.415 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CN(Cc1nccn1C)CC1CC[NH+](CCOC)CC1 ZINC000019595638 210275458 /nfs/dbraw/zinc/27/54/58/210275458.db2.gz QYAPIMOYSHHNOF-HXUWFJFHSA-N 2 0 377.577 2.065 50 0 GEAARP Oc1ccccc1N1CC[NH+]([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000020785743 136202791 /nfs/dbraw/zinc/20/27/91/136202791.db2.gz CFVJHYJPSLDSAN-YADHBBJMSA-N 2 0 379.504 2.251 50 0 GEAARP CC(C)[NH2+]C[C@@H](O)COc1ccc(OC[C@H](O)C[NH2+]C(C)C)c2ccccc12 ZINC000085406269 570225698 /nfs/dbraw/zinc/22/56/98/570225698.db2.gz PRXRSBPCJSFMDW-QZTJIDSGSA-N 2 0 390.524 2.315 50 0 GEAARP C[NH+]1CCN(C[C@@H](O)COc2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2)CC1 ZINC000023358870 570356264 /nfs/dbraw/zinc/35/62/64/570356264.db2.gz QMUOJEQPUAGWJY-JOCHJYFZSA-N 2 0 395.547 2.453 50 0 GEAARP COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000244646945 570436107 /nfs/dbraw/zinc/43/61/07/570436107.db2.gz GSEQLNOCRSHCAK-VAMGGRTRSA-N 2 0 392.540 2.314 50 0 GEAARP COc1cccc(OC)c1C[NH+]1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000012314652 570640739 /nfs/dbraw/zinc/64/07/39/570640739.db2.gz IUGHPLQQCKZLNG-UHFFFAOYSA-N 2 0 377.529 2.374 50 0 GEAARP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048462705 570658864 /nfs/dbraw/zinc/65/88/64/570658864.db2.gz KRHDJXJCFQHKQC-SFHVURJKSA-N 2 0 392.507 2.047 50 0 GEAARP C[C@@H]1CCC[N@H+](CCOc2ccc(C[NH2+]CCN3CCC(O)CC3)cc2)C1 ZINC000055360722 570692230 /nfs/dbraw/zinc/69/22/30/570692230.db2.gz WHWZXPVEUIBULW-LJQANCHMSA-N 2 0 375.557 2.344 50 0 GEAARP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065366257 570761677 /nfs/dbraw/zinc/76/16/77/570761677.db2.gz UFMMRJIJVNKRGR-SFHVURJKSA-N 2 0 388.560 2.196 50 0 GEAARP Cc1ccc(C2(C[N@H+]3CCC[C@@H](C(=O)c4nccn4C)C3)CC[NH2+]CC2)nc1 ZINC000065384223 570763494 /nfs/dbraw/zinc/76/34/94/570763494.db2.gz KHLZPYYLJXAEHX-GOSISDBHSA-N 2 0 381.524 2.340 50 0 GEAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[NH2+]CCC(C)C)c1 ZINC000012751879 210000760 /nfs/dbraw/zinc/00/07/60/210000760.db2.gz UGVCIUZVKJWCNV-IBGZPJMESA-N 2 0 380.529 2.027 50 0 GEAARP O[C@@H](COc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000000753197 209263199 /nfs/dbraw/zinc/26/31/99/209263199.db2.gz PQZRNQWHTLRBHA-BGYRXZFFSA-N 2 0 392.540 2.138 50 0 GEAARP Cc1n[nH]c(C)c1C[NH+]1CCC2(CC1)CC[N@@H+](C1CCOCC1)C[C@H]2CO ZINC000097522010 211366036 /nfs/dbraw/zinc/36/60/36/211366036.db2.gz VRRPSWIARJBELQ-SFHVURJKSA-N 2 0 376.545 2.102 50 0 GEAARP CC[N@@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000096153775 211311747 /nfs/dbraw/zinc/31/17/47/211311747.db2.gz WQLVDAHVBQAUMD-OAQYLSRUSA-N 2 0 385.552 2.437 50 0 GEAARP CC[N@H+](CCO)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095528687 211275986 /nfs/dbraw/zinc/27/59/86/211275986.db2.gz WAVYHKLLLQGOCM-JOCHJYFZSA-N 2 0 384.520 2.299 50 0 GEAARP CC[N@H+](CCO)Cc1ccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)cc1 ZINC000095526236 211272214 /nfs/dbraw/zinc/27/22/14/211272214.db2.gz BPUZBVCUEYJDIC-QFIPXVFZSA-N 2 0 384.520 2.299 50 0 GEAARP CC[N@H+](Cc1ccc(OC[C@H](O)C[NH+]2CCSCC2)c(OC)c1)C1CC1 ZINC000095503897 211254835 /nfs/dbraw/zinc/25/48/35/211254835.db2.gz ZXNXELXLQDWYMF-GOSISDBHSA-N 2 0 380.554 2.468 50 0 GEAARP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cc1C ZINC000092045477 211214046 /nfs/dbraw/zinc/21/40/46/211214046.db2.gz PDFNABWELWYWBA-RTWAWAEBSA-N 2 0 375.557 2.214 50 0 GEAARP [NH3+]CCc1ccc(C[NH+]2CCC3(CCC(=O)N(CCc4c[nH]cn4)C3)CC2)cc1 ZINC000091665744 211203932 /nfs/dbraw/zinc/20/39/32/211203932.db2.gz NTHPVLHAWKRDGX-UHFFFAOYSA-N 2 0 395.551 2.358 50 0 GEAARP CCN(CCO)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091690889 211202886 /nfs/dbraw/zinc/20/28/86/211202886.db2.gz KFNYBAMPOLQWDD-NRFANRHFSA-N 2 0 399.579 2.171 50 0 GEAARP Cn1c(CN2CC[NH+](C)CC2)nnc1C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000091726105 211205330 /nfs/dbraw/zinc/20/53/30/211205330.db2.gz YGLSKROFBLPSNV-UHFFFAOYSA-N 2 0 386.519 2.081 50 0 GEAARP CC[NH+]1CCN(CCN2CC3(CC[NH+](CC4CCCC4)CC3)OC2=O)CC1 ZINC000072417980 211116238 /nfs/dbraw/zinc/11/62/38/211116238.db2.gz MABZOGKGPXMUBR-UHFFFAOYSA-N 2 0 378.561 2.101 50 0 GEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@H]([NH+]1CCC(C)CC1)C2 ZINC000020877579 210364055 /nfs/dbraw/zinc/36/40/55/210364055.db2.gz FQSCOUVNIMROJH-SFHVURJKSA-N 2 0 387.572 2.270 50 0 GEAARP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000020531759 210344048 /nfs/dbraw/zinc/34/40/48/210344048.db2.gz PXWOJXLJURSGAO-CALCHBBNSA-N 2 0 391.556 2.483 50 0 GEAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000019839341 210301280 /nfs/dbraw/zinc/30/12/80/210301280.db2.gz XGNHIMACTCFBNU-OAQYLSRUSA-N 2 0 375.557 2.440 50 0 GEAARP COc1ccc(C(=O)N2CCCC3(CC[NH+](C)CC3)CC2)c(OCC[NH3+])c1 ZINC000426734021 533292704 /nfs/dbraw/zinc/29/27/04/533292704.db2.gz ODMQVAUNHODTED-UHFFFAOYSA-N 2 0 375.513 2.371 50 0 GEAARP [NH3+][C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000244882769 570433890 /nfs/dbraw/zinc/43/38/90/570433890.db2.gz XYSOSYIQGOZRKL-NJYVYQBISA-N 3 0 399.583 2.144 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[NH2+]CCCn2ccnc2)cc1OC ZINC000012441389 570664499 /nfs/dbraw/zinc/66/44/99/570664499.db2.gz NNZTVEAFQNRBHV-IBGZPJMESA-N 2 0 390.528 2.153 50 0 GEAARP O=C(NCC[NH+]1CCCC1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065255966 570754829 /nfs/dbraw/zinc/75/48/29/570754829.db2.gz GGPSFZGMJUUKPR-HXUWFJFHSA-N 2 0 379.508 2.058 50 0 GEAARP C[NH+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000170595792 570853643 /nfs/dbraw/zinc/85/36/43/570853643.db2.gz XTSVEKWRYWDEJJ-SFHVURJKSA-N 2 0 396.576 2.308 50 0 GEAARP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCC[NH+](C)C)C[N@H+](CC(C)C)C2)cn1 ZINC000014748222 210126741 /nfs/dbraw/zinc/12/67/41/210126741.db2.gz IKQWNZCGUUCXQL-RBUKOAKNSA-N 2 0 376.545 2.041 50 0 GEAARP O[C@@H](COc1cccc(OC[C@@H](O)C[NH+]2CCCCC2)c1)C[NH+]1CCCCC1 ZINC000000864300 209274723 /nfs/dbraw/zinc/27/47/23/209274723.db2.gz FHFSLXLDKXBOQN-BGYRXZFFSA-N 2 0 392.540 2.138 50 0 GEAARP Cc1nccnc1C[N@@H+]1CCC2(CC[NH+](Cc3ccncc3)CC2)[C@H](CO)C1 ZINC000097244206 211361643 /nfs/dbraw/zinc/36/16/43/211361643.db2.gz BTNRAKCLYSFNIN-FQEVSTJZSA-N 2 0 381.524 2.277 50 0 GEAARP C[NH+]1CCN(C[C@H](O)COc2ccc(C[NH+]3CCC(C)(C)CC3)cc2)CC1 ZINC000095517232 211263606 /nfs/dbraw/zinc/26/36/06/211263606.db2.gz MACMCPYQHFXVQQ-FQEVSTJZSA-N 2 0 375.557 2.296 50 0 GEAARP COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095524664 211268881 /nfs/dbraw/zinc/26/88/81/211268881.db2.gz WVFXZBXHWHCOBP-SFHVURJKSA-N 2 0 380.529 2.386 50 0 GEAARP COc1cc(C[NH+]2CCC(C)CC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095522468 211267126 /nfs/dbraw/zinc/26/71/26/211267126.db2.gz UMOUSDCAZMFPBU-HXUWFJFHSA-N 2 0 392.540 2.124 50 0 GEAARP COc1ccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+]2CCCC2(C)C)c1 ZINC000095520492 211266953 /nfs/dbraw/zinc/26/69/53/211266953.db2.gz FWOQTRAAWDIXRH-IBGZPJMESA-N 2 0 392.540 2.266 50 0 GEAARP COc1cc(C[NH+]2CCCCCC2)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095511450 211262942 /nfs/dbraw/zinc/26/29/42/211262942.db2.gz QSEYHUGWQCUNGK-HXUWFJFHSA-N 2 0 392.540 2.268 50 0 GEAARP C[NH+]1CCN(Cc2ccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507835 211259389 /nfs/dbraw/zinc/25/93/89/211259389.db2.gz OXYMVKQOQGQIFQ-HSZRJFAPSA-N 2 0 395.547 2.232 50 0 GEAARP COc1cc(C[NH+]2CCC(F)CC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095504932 211257202 /nfs/dbraw/zinc/25/72/02/211257202.db2.gz ZFUQYGCHMKPKGH-GOSISDBHSA-N 2 0 398.544 2.418 50 0 GEAARP COc1ccc(C[N@@H+]2CCCC2(C)C)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095498750 211252874 /nfs/dbraw/zinc/25/28/74/211252874.db2.gz JPCYGAMKHRYOSA-LJQANCHMSA-N 2 0 391.556 2.057 50 0 GEAARP Cn1ccc2ccc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](CCCO)C3)cc21 ZINC000095386966 211235135 /nfs/dbraw/zinc/23/51/35/211235135.db2.gz DLSPRRLJJGKONM-YADHBBJMSA-N 2 0 384.568 2.389 50 0 GEAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CO)CC1 ZINC000091364989 211189528 /nfs/dbraw/zinc/18/95/28/211189528.db2.gz YFSNMHVYDSIDJB-QZTJIDSGSA-N 2 0 385.474 2.383 50 0 GEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)NCCc1nc3ccccc3[nH]1)CC[NH+](C)CC2 ZINC000072463095 211121654 /nfs/dbraw/zinc/12/16/54/211121654.db2.gz FVTBYQGNJDODAW-LJQANCHMSA-N 2 0 383.540 2.418 50 0 GEAARP [NH3+]Cc1cc(=O)[nH]c(-c2cccc(C[NH+]3CCC(Cn4cccn4)CC3)c2)n1 ZINC000023581928 210449336 /nfs/dbraw/zinc/44/93/36/210449336.db2.gz WJSFRPFCIDNSGR-UHFFFAOYSA-N 2 0 378.480 2.004 50 0 GEAARP COc1ccc(C[N@@H+]2CCN(c3cc(C)[nH+]c(N)n3)C[C@H]2CCO)c(C)c1C ZINC000072418385 136169741 /nfs/dbraw/zinc/16/97/41/136169741.db2.gz ICJBFFQTNIIUTE-GOSISDBHSA-N 2 0 385.512 2.066 50 0 GEAARP CCn1ccnc1CN1CCC(CCC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000012301079 570298875 /nfs/dbraw/zinc/29/88/75/570298875.db2.gz BRKJWQAOIHMLON-LJQANCHMSA-N 2 0 375.561 2.496 50 0 GEAARP Cc1cc(C)c(-n2cccn2)c(C[N@@H+]2CCC[C@@H](Cn3cc(C[NH3+])nn3)C2)c1 ZINC000023251687 570352851 /nfs/dbraw/zinc/35/28/51/570352851.db2.gz JUCZQPKZCJERNC-GOSISDBHSA-N 2 0 379.512 2.452 50 0 GEAARP CCCCNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000023354067 570356191 /nfs/dbraw/zinc/35/61/91/570356191.db2.gz GSIAALZMHXTSJU-FGZHOGPDSA-N 2 0 386.584 2.288 50 0 GEAARP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237523440 570376567 /nfs/dbraw/zinc/37/65/67/570376567.db2.gz UVOVOYTYEHWSLJ-QGZVFWFLSA-N 2 0 396.539 2.365 50 0 GEAARP CC[NH+](CC)CCSCC(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000072301481 570504996 /nfs/dbraw/zinc/50/49/96/570504996.db2.gz WDRBSJJPDUWLEO-LJQANCHMSA-N 2 0 392.613 2.388 50 0 GEAARP COCCCN(C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1)C1CC[NH+](C)CC1 ZINC000055042170 570679945 /nfs/dbraw/zinc/67/99/45/570679945.db2.gz GVFSHFGUZHAOSS-SFHVURJKSA-N 2 0 377.529 2.451 50 0 GEAARP O=C1CCCN1C[C@@H]1CCC[N@H+](CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000244690833 570694799 /nfs/dbraw/zinc/69/47/99/570694799.db2.gz IXSQUOHVLARDTK-JOCHJYFZSA-N 2 0 384.568 2.139 50 0 GEAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000012747125 570708807 /nfs/dbraw/zinc/70/88/07/570708807.db2.gz QJXZXMRNQOHGPS-HXUWFJFHSA-N 2 0 390.524 2.344 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1F ZINC000058174295 531828178 /nfs/dbraw/zinc/82/81/78/531828178.db2.gz XYMKPMKSBDONAB-CQSZACIVSA-N 2 0 375.485 2.001 50 0 GEAARP COc1ccc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1C[NH+]1CCCC1 ZINC000299765824 212033018 /nfs/dbraw/zinc/03/30/18/212033018.db2.gz BWMKIKRHQGPZNE-PZJWPPBQSA-N 2 0 383.496 2.228 50 0 GEAARP O[C@@H](COc1cccc(C[NH+]2CCC(O)CC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095519291 211264255 /nfs/dbraw/zinc/26/42/55/211264255.db2.gz ZKBUGPRHWQNJGR-HSZRJFAPSA-N 2 0 396.531 2.441 50 0 GEAARP CC[N@@H+]1CCCN(Cc2ccc(OC)c(OC[C@H](O)C[NH+](C)C(C)C)c2)CC1 ZINC000095504856 211258024 /nfs/dbraw/zinc/25/80/24/211258024.db2.gz VDTCESMVHFERCP-HXUWFJFHSA-N 2 0 393.572 2.303 50 0 GEAARP COCC[N@H+](C)CCN1CC2(CC[NH+](Cc3cccc(C)c3)CC2)OC1=O ZINC000072423486 211116482 /nfs/dbraw/zinc/11/64/82/211116482.db2.gz PZUXCTZDANSUEF-UHFFFAOYSA-N 2 0 375.513 2.360 50 0 GEAARP C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071763686 211061100 /nfs/dbraw/zinc/06/11/00/211061100.db2.gz RZPWYZIATQHABF-KRWDZBQOSA-N 2 0 399.539 2.186 50 0 GEAARP Oc1cccc(N2CC[NH+]([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)c1 ZINC000020860872 210364142 /nfs/dbraw/zinc/36/41/42/210364142.db2.gz HJAXAPCUJXBXJL-YADHBBJMSA-N 2 0 379.504 2.251 50 0 GEAARP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000020531751 210344533 /nfs/dbraw/zinc/34/45/33/210344533.db2.gz MEQHXXYXGSHTRW-IRXDYDNUSA-N 2 0 391.556 2.198 50 0 GEAARP Cc1cc(N2CCC([NH2+][C@H](CO)Cc3c[nH]c4ccccc34)CC2)nc(N)[nH+]1 ZINC000095389078 136178886 /nfs/dbraw/zinc/17/88/86/136178886.db2.gz UZCNPNMAIGGDEY-KRWDZBQOSA-N 2 0 380.496 2.011 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CN(Cc1cnn(C)c1)CC1CC[NH+](CCOC)CC1 ZINC000022912114 570333647 /nfs/dbraw/zinc/33/36/47/570333647.db2.gz SRSVPSQINNBBKN-OAQYLSRUSA-N 2 0 377.577 2.065 50 0 GEAARP Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](Cn4cc(C[NH3+])nn4)C3)c2)n1 ZINC000023399187 570361026 /nfs/dbraw/zinc/36/10/26/570361026.db2.gz FNAPORMFLOPYMA-LJQANCHMSA-N 2 0 379.512 2.452 50 0 GEAARP C[NH+]1CCC(N2CC[N@@H+](C3CCN(c4ccccc4)CC3)C[C@H]2CCO)CC1 ZINC000104456469 570900432 /nfs/dbraw/zinc/90/04/32/570900432.db2.gz VYVFYTVGQHPMNO-HSZRJFAPSA-N 2 0 386.584 2.118 50 0 GEAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@H+](C)CC2CCC2)c1 ZINC000095523392 571088671 /nfs/dbraw/zinc/08/86/71/571088671.db2.gz QSANPAINMCWUMM-HXUWFJFHSA-N 2 0 392.540 2.124 50 0 GEAARP COc1ccc(C[NH2+]C2CCCCC2)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019224907 210232948 /nfs/dbraw/zinc/23/29/48/210232948.db2.gz DFBRMAYPRGVPHC-FQEVSTJZSA-N 2 0 391.556 2.105 50 0 GEAARP CC[NH+](CC)CCNC(=O)C1CC[NH+](Cc2ccc(OC)cc2OC)CC1 ZINC000015855932 210174026 /nfs/dbraw/zinc/17/40/26/210174026.db2.gz SCCBVWPBLICPNW-UHFFFAOYSA-N 2 0 377.529 2.374 50 0 GEAARP CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014744018 210125220 /nfs/dbraw/zinc/12/52/20/210125220.db2.gz XGHYQFNGSOPASI-QGZVFWFLSA-N 2 0 396.601 2.198 50 0 GEAARP CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C[C@H]2CO ZINC000097425142 211365814 /nfs/dbraw/zinc/36/58/14/211365814.db2.gz BXMFYVUBWTUWEQ-IBGZPJMESA-N 2 0 384.528 2.173 50 0 GEAARP C[NH+]1CCC(n2nc(-c3ccc(Cl)cc3)nc2C[C@@H]2C[NH2+]CCO2)CC1 ZINC000096166015 211316624 /nfs/dbraw/zinc/31/66/24/211316624.db2.gz HPNINVUBEQSITG-QGZVFWFLSA-N 2 0 375.904 2.396 50 0 GEAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@@H+]3CCCC3(C)C)c2)CC1 ZINC000095528407 211272727 /nfs/dbraw/zinc/27/27/27/211272727.db2.gz XSCAVYHDARWPDW-FQEVSTJZSA-N 2 0 375.557 2.438 50 0 GEAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3[nH]c4ccc(C)cc4c3C)C[C@@H]2CO)CC1 ZINC000095392202 211237855 /nfs/dbraw/zinc/23/78/55/211237855.db2.gz FFMOGGZDUVJHSW-WOJBJXKFSA-N 2 0 384.568 2.463 50 0 GEAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3[nH]c4ccc(F)cc4c3C)C[C@@H]2CO)CC1 ZINC000095361360 211223589 /nfs/dbraw/zinc/22/35/89/211223589.db2.gz ZILGAILLXVWFMC-QZTJIDSGSA-N 2 0 388.531 2.293 50 0 GEAARP C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000082137305 211161519 /nfs/dbraw/zinc/16/15/19/211161519.db2.gz XZJZGTGTCJKPIW-NRFANRHFSA-N 3 0 398.595 2.056 50 0 GEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)Cc1nc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072425771 211115716 /nfs/dbraw/zinc/11/57/16/211115716.db2.gz YSFGMARDRLQPHG-INIZCTEOSA-N 2 0 377.533 2.348 50 0 GEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)NCc1ccc(O)c(OC)c1)CC[NH+](C)CC2 ZINC000072418766 211115292 /nfs/dbraw/zinc/11/52/92/211115292.db2.gz WGVMBVFFRMGCMR-KRWDZBQOSA-N 2 0 375.513 2.213 50 0 GEAARP C[N@@H+](CCc1ccccc1)CCN1CC2(CC[NH+]([C@H]3CCOC3)CC2)OC1=O ZINC000072407150 211114068 /nfs/dbraw/zinc/11/40/68/211114068.db2.gz ZIFHUXTYZOKLCQ-FQEVSTJZSA-N 2 0 387.524 2.237 50 0 GEAARP CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020531750 210343917 /nfs/dbraw/zinc/34/39/17/210343917.db2.gz MEQHXXYXGSHTRW-IAGOWNOFSA-N 2 0 391.556 2.198 50 0 GEAARP C[N@@H+]1CC2(C[C@H]1C(=O)N1CCN(c3ccccc3Cl)CC1)CC[NH2+]CC2 ZINC000072411917 136169666 /nfs/dbraw/zinc/16/96/66/136169666.db2.gz QTRDLABMPSPUKW-SFHVURJKSA-N 2 0 376.932 2.063 50 0 GEAARP C[C@@H](C(=O)NCC[NH+](C)C)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000034684524 570301498 /nfs/dbraw/zinc/30/14/98/570301498.db2.gz QUANXGOMXZRSQC-FQEVSTJZSA-N 2 0 394.563 2.460 50 0 GEAARP CC[NH+]1CCN(C[C@H](O)COc2cccc(C[N@H+](C)Cc3cccnc3)c2)CC1 ZINC000022913396 570334131 /nfs/dbraw/zinc/33/41/31/570334131.db2.gz BYZZDKCBVXRMRP-QFIPXVFZSA-N 2 0 398.551 2.091 50 0 GEAARP CCCNC(=O)[C@@H]1CCC[NH+]([C@@H](C)CC[N@H+]2CCC[C@@H](C(=O)NCCC)C2)C1 ZINC000245407970 570435758 /nfs/dbraw/zinc/43/57/58/570435758.db2.gz DXOYKLSXPDUCEA-XUVXKRRUSA-N 2 0 394.604 2.241 50 0 GEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)Cc1cn(CC)nc1C)CC[NH+](C)CC2 ZINC000426628836 570503007 /nfs/dbraw/zinc/50/30/07/570503007.db2.gz UJOBOGXTPABBMP-LJQANCHMSA-N 2 0 375.561 2.366 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000011662412 570577386 /nfs/dbraw/zinc/57/73/86/570577386.db2.gz SHSIMDTUAJRITR-NRFANRHFSA-N 2 0 392.588 2.090 50 0 GEAARP Cc1cccc(N2CC[NH+](CCC(=O)NCCNc3cc[nH+]cc3C)CC2)c1 ZINC000252481127 570728147 /nfs/dbraw/zinc/72/81/47/570728147.db2.gz CHYVAOYXYGSGIS-UHFFFAOYSA-N 2 0 381.524 2.439 50 0 GEAARP O=C(NCC[NH+]1CCCCC1)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255859 570754377 /nfs/dbraw/zinc/75/43/77/570754377.db2.gz FYFOUIPZZPCBIY-OAQYLSRUSA-N 2 0 393.535 2.448 50 0 GEAARP Cc1sc2nc(CC[NH3+])nc(N(CC[NH+](C)C)C[C@@H]3CCCO3)c2c1C ZINC000065381679 570762983 /nfs/dbraw/zinc/76/29/83/570762983.db2.gz POUAGMNWCKKVCQ-HNNXBMFYSA-N 2 0 377.558 2.356 50 0 GEAARP COc1ccc(C[N@H+](C)CC(C)C)cc1OC[C@H](O)CN1CCC[NH+](C)CC1 ZINC000019228479 210232996 /nfs/dbraw/zinc/23/29/96/210232996.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 2 0 393.572 2.160 50 0 GEAARP O[C@H](COc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1)C[NH+]1CCCCC1 ZINC000000753199 209264030 /nfs/dbraw/zinc/26/40/30/209264030.db2.gz PQZRNQWHTLRBHA-PMACEKPBSA-N 2 0 392.540 2.138 50 0 GEAARP OCC[NH+]1CCN(Cc2ccc3c(c2)C[N@@H+](C[C@H]2CC=CCC2)CCO3)CC1 ZINC000097696354 211371132 /nfs/dbraw/zinc/37/11/32/211371132.db2.gz FBRCVZGLSUESFD-FQEVSTJZSA-N 2 0 385.552 2.347 50 0 GEAARP COc1ccc(CN2CC[NH+](C(C)C)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095522479 211267806 /nfs/dbraw/zinc/26/78/06/211267806.db2.gz GVLJLHYJOJDSMY-FQEVSTJZSA-N 2 0 393.572 2.301 50 0 GEAARP O[C@H](COc1ccc(C[NH+]2CCC(O)CC2)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000095516999 211265292 /nfs/dbraw/zinc/26/52/92/211265292.db2.gz KWPOQVTTWISEKF-QHCPKHFHSA-N 2 0 396.531 2.441 50 0 GEAARP COc1ccc(C[NH+]2CCC(CCO)CC2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095512540 211262963 /nfs/dbraw/zinc/26/29/63/211262963.db2.gz UPWSNHLQTVKAAY-FQEVSTJZSA-N 2 0 392.540 2.125 50 0 GEAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnon1 ZINC000095506659 211257730 /nfs/dbraw/zinc/25/77/30/211257730.db2.gz VHGARYLXQFOMRB-MRXNPFEDSA-N 2 0 389.475 2.125 50 0 GEAARP CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH+]3CCCCC3)cc2OC)CC1 ZINC000095501262 211253059 /nfs/dbraw/zinc/25/30/59/211253059.db2.gz ANOAKURYYCSLBZ-FQEVSTJZSA-N 2 0 391.556 2.058 50 0 GEAARP COc1ccc2cc(C[N@@H+]3C[C@H](CO)[C@H](CN4CC[NH+](C)CC4)C3)ccc2c1 ZINC000095391801 211237814 /nfs/dbraw/zinc/23/78/14/211237814.db2.gz FHEMLFGGZGJOSP-FGZHOGPDSA-N 2 0 383.536 2.136 50 0 GEAARP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc(OC4CCCC4)cc3)C[C@@H]2CO)CC1 ZINC000095384769 211235036 /nfs/dbraw/zinc/23/50/36/211235036.db2.gz ARGXBDBDWHCTHP-NHCUHLMSSA-N 2 0 387.568 2.296 50 0 GEAARP Cn1ccc2c1cccc2C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](CCCO)C1 ZINC000091931832 211210062 /nfs/dbraw/zinc/21/00/62/211210062.db2.gz YKZOFWCWUWFBRP-IRLDBZIGSA-N 2 0 384.568 2.389 50 0 GEAARP c1cn(C2CC[NH+](Cc3ccccn3)CC2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091756682 211204810 /nfs/dbraw/zinc/20/48/10/211204810.db2.gz YIJGMDYOQQRZBR-UHFFFAOYSA-N 2 0 392.511 2.298 50 0 GEAARP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)c(C)c1 ZINC000091326901 211189503 /nfs/dbraw/zinc/18/95/03/211189503.db2.gz IHUKKNCIURHSQW-IRLDBZIGSA-N 2 0 375.557 2.214 50 0 GEAARP COc1ccccc1C(=O)Nc1ccnn1C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000067714556 211017113 /nfs/dbraw/zinc/01/71/13/211017113.db2.gz LGDIDJUKFNCOKO-INIZCTEOSA-N 2 0 383.496 2.390 50 0 GEAARP CCn1nc(C(=O)N2CCC[N@H+](C)CC2)c2c1CC[C@H]([NH2+]CCC(C)C)C2 ZINC000020538752 210345986 /nfs/dbraw/zinc/34/59/86/210345986.db2.gz FSMJRABDWYHXMB-KRWDZBQOSA-N 2 0 375.561 2.174 50 0 GEAARP CC[NH+]1CCN(c2cc(C[NH2+][C@H](C)CC(=O)N3CCCCCC3)ccn2)CC1 ZINC000095421344 136179025 /nfs/dbraw/zinc/17/90/25/136179025.db2.gz KVCWJFDNQYAWGW-LJQANCHMSA-N 2 0 387.572 2.494 50 0 GEAARP CCc1cc(N2CCC([NH2+][C@H](C)c3nncn3C)CC2)nc(N2CCCC2)[nH+]1 ZINC000095503454 136180253 /nfs/dbraw/zinc/18/02/53/136180253.db2.gz MUZYQFCKTLCOLH-OAHLLOKOSA-N 2 0 384.532 2.087 50 0 GEAARP [NH3+]CCOc1cccc(CC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000426478148 534637929 /nfs/dbraw/zinc/63/79/29/534637929.db2.gz RHVXSHDSJYEORR-UHFFFAOYSA-N 2 0 385.483 2.487 50 0 GEAARP C[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2)CC1 ZINC000023358873 570356461 /nfs/dbraw/zinc/35/64/61/570356461.db2.gz QMUOJEQPUAGWJY-QFIPXVFZSA-N 2 0 395.547 2.453 50 0 GEAARP COc1cc(C[NH2+]CC2CC[NH+](C)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012302162 570636498 /nfs/dbraw/zinc/63/64/98/570636498.db2.gz ZOZDDRYTYJMNSI-HXUWFJFHSA-N 3 0 393.572 2.207 50 0 GEAARP C[NH+]1CCC(N2CCC[C@H](NC(=O)C3([NH+]4CCCC4)CCCCC3)C2)CC1 ZINC000012431332 570659649 /nfs/dbraw/zinc/65/96/49/570659649.db2.gz YCLUZZSJZPWLPI-IBGZPJMESA-N 2 0 376.589 2.460 50 0 GEAARP O=C(NCCC[NH+]1CCCC1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065256025 570754583 /nfs/dbraw/zinc/75/45/83/570754583.db2.gz JCANTBBRSYTQOB-NRFANRHFSA-N 2 0 393.535 2.448 50 0 GEAARP O=C(NCC[NH+]1CCCCC1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065256027 570754800 /nfs/dbraw/zinc/75/48/00/570754800.db2.gz UMCTYHHCEZVCCU-NRFANRHFSA-N 2 0 393.535 2.448 50 0 GEAARP COc1ccc(COC[C@@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000005866416 570799283 /nfs/dbraw/zinc/79/92/83/570799283.db2.gz JRAFYZJUFFVRCU-KRWDZBQOSA-N 2 0 380.529 2.480 50 0 GEAARP CN(CCC[NH+]1CCCCC1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1CC1CCCCC1 ZINC000011816115 209885402 /nfs/dbraw/zinc/88/54/02/209885402.db2.gz KUPDWFKTUBJFRZ-HXUWFJFHSA-N 2 0 392.588 2.092 50 0 GEAARP Cn1c(CN2CCCC2)nnc1C1CC[NH+](Cc2ccc(CC[NH3+])cc2)CC1 ZINC000096148839 211309216 /nfs/dbraw/zinc/30/92/16/211309216.db2.gz MWGTUVXXHBVDQW-UHFFFAOYSA-N 2 0 382.556 2.292 50 0 GEAARP O=C(N[C@H]1CC[NH2+]C1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000095530634 211275854 /nfs/dbraw/zinc/27/58/54/211275854.db2.gz ATLLRJOCKWRMEN-SFHVURJKSA-N 2 0 380.492 2.217 50 0 GEAARP COc1cc(C[NH+]2CCCCC2)ccc1OC[C@H](O)C[NH+]1CCSCC1 ZINC000095519991 211267486 /nfs/dbraw/zinc/26/74/86/211267486.db2.gz CSOQTFUSVFNDBY-GOSISDBHSA-N 2 0 380.554 2.470 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1ccc(CN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000095508846 211260032 /nfs/dbraw/zinc/26/00/32/211260032.db2.gz PVMNTEHMXGVDCH-IBGZPJMESA-N 2 0 393.572 2.303 50 0 GEAARP CCCNc1ncc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cn1 ZINC000095353147 211222000 /nfs/dbraw/zinc/22/20/00/211222000.db2.gz CBKJVVODKSAKQR-UHFFFAOYSA-N 2 0 388.560 2.065 50 0 GEAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2CO)CC1 ZINC000095368474 211227355 /nfs/dbraw/zinc/22/73/55/211227355.db2.gz AGBHJECUZSNNJN-RTBURBONSA-N 2 0 386.515 2.052 50 0 GEAARP O=C([C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N(CCc1ccccc1)Cc1ccccn1 ZINC000072144269 211075897 /nfs/dbraw/zinc/07/58/97/211075897.db2.gz MQDSBODHYFURKO-NRFANRHFSA-N 2 0 378.520 2.385 50 0 GEAARP C[NH+](C)CCNC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000071422188 211048590 /nfs/dbraw/zinc/04/85/90/211048590.db2.gz XKCQHSMUIXTZHX-UHFFFAOYSA-N 2 0 399.539 2.186 50 0 GEAARP C[NH+]1CCC2(CC[N@H+](C[C@@]3(O)CCCN(CCc4ccccc4)C3=O)C2)CC1 ZINC000067775003 211021157 /nfs/dbraw/zinc/02/11/57/211021157.db2.gz YRZVSKNOJKSKDZ-QHCPKHFHSA-N 2 0 385.552 2.000 50 0 GEAARP CCCC[N@H+](C)Cc1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c(OC)c1 ZINC000020996393 210373247 /nfs/dbraw/zinc/37/32/47/210373247.db2.gz QHATXYQHAGMWQY-FQEVSTJZSA-N 2 0 393.572 2.304 50 0 GEAARP COc1ccc(C[NH+]2CCCCCC2)cc1OC[C@H](O)CN1CC[NH+](C)CC1 ZINC000020542754 210346137 /nfs/dbraw/zinc/34/61/37/210346137.db2.gz JUZVEWPISPHYDA-HXUWFJFHSA-N 2 0 391.556 2.058 50 0 GEAARP CCC[NH+]1CCC(N2C[C@H]([NH2+]Cc3cccc(Cl)c3)C[C@H]2C(=O)NC)CC1 ZINC000020256294 210324184 /nfs/dbraw/zinc/32/41/84/210324184.db2.gz ZAFKIMOIVORCKN-QUCCMNQESA-N 2 0 392.975 2.493 50 0 GEAARP Cc1cc(N2CCC([NH2+]CCc3cnn(-c4ccccc4)c3)CC2)nc(N)[nH+]1 ZINC000095352678 136177917 /nfs/dbraw/zinc/17/79/17/136177917.db2.gz KWZGSUBDEGTSSW-UHFFFAOYSA-N 2 0 377.496 2.354 50 0 GEAARP Nc1nc(C2CC([NH3+])C2)cc(N2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000219252343 570350428 /nfs/dbraw/zinc/35/04/28/570350428.db2.gz POOLIYDZVDYBSZ-UHFFFAOYSA-N 2 0 380.540 2.408 50 0 GEAARP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237739311 570392721 /nfs/dbraw/zinc/39/27/21/570392721.db2.gz UVOVOYTYEHWSLJ-KRWDZBQOSA-N 2 0 396.539 2.365 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000011662411 570577430 /nfs/dbraw/zinc/57/74/30/570577430.db2.gz SHSIMDTUAJRITR-OAQYLSRUSA-N 2 0 392.588 2.090 50 0 GEAARP COc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1O ZINC000012630685 570693429 /nfs/dbraw/zinc/69/34/29/570693429.db2.gz WBAIMVBYYVKYOW-UHFFFAOYSA-N 2 0 377.529 2.317 50 0 GEAARP O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426474184 231224950 /nfs/dbraw/zinc/22/49/50/231224950.db2.gz GXXXMKDZKGASSI-NRFANRHFSA-N 2 0 395.551 2.346 50 0 GEAARP Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCC[NH+](C)C)C[N@H+](CC(C)C)C2)cn1 ZINC000014742850 210125198 /nfs/dbraw/zinc/12/51/98/210125198.db2.gz PJOXUWMLKBFZGN-VQTJNVASSA-N 2 0 390.572 2.431 50 0 GEAARP COC(=O)c1ccc(C[NH+]2CCC(CCC(=O)NCC[NH+](C)C)CC2)cc1 ZINC000012750048 210001690 /nfs/dbraw/zinc/00/16/90/210001690.db2.gz UARRPZUKSKJODS-UHFFFAOYSA-N 2 0 375.513 2.143 50 0 GEAARP Cc1cc(C[NH+]2CCC3(CC2)CC[N@H+](Cc2c(C)n[nH]c2C)C[C@H]3CO)on1 ZINC000097784979 211374107 /nfs/dbraw/zinc/37/41/07/211374107.db2.gz MOYPDVPGMIPFJK-SFHVURJKSA-N 2 0 387.528 2.420 50 0 GEAARP OCC[NH+]1CCN(Cc2ccc3c(c2)C[N@@H+](C[C@@H]2CC=CCC2)CCO3)CC1 ZINC000097696355 211371223 /nfs/dbraw/zinc/37/12/23/211371223.db2.gz FBRCVZGLSUESFD-HXUWFJFHSA-N 2 0 385.552 2.347 50 0 GEAARP Cc1nccc(C2CC[NH+](Cc3ccc(OC[C@H](O)C[NH+](C)C)cc3)CC2)n1 ZINC000095531107 211275753 /nfs/dbraw/zinc/27/57/53/211275753.db2.gz VYGYDJXWTBJYQV-HXUWFJFHSA-N 2 0 384.524 2.466 50 0 GEAARP C[N@H+](CCCO)Cc1cccc(OC[C@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095524992 211269039 /nfs/dbraw/zinc/26/90/39/211269039.db2.gz GNPOBUVOANUQFO-JOCHJYFZSA-N 2 0 384.520 2.299 50 0 GEAARP C[N@H+](Cc1ccc(OC[C@H](O)CN2CC[NH+](C)CC2)cc1)C1CCSCC1 ZINC000095518752 211265515 /nfs/dbraw/zinc/26/55/15/211265515.db2.gz SPHYHGUDMPYWAA-HXUWFJFHSA-N 2 0 393.597 2.001 50 0 GEAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[NH+]2CCCCCC2)c1 ZINC000095504874 211258082 /nfs/dbraw/zinc/25/80/82/211258082.db2.gz HSBFCTANUKBNEH-HXUWFJFHSA-N 2 0 392.540 2.268 50 0 GEAARP C[N@H+](CCC(N)=O)Cc1cc(Cl)ccc1OC[C@H](O)C[NH+]1CCCCCC1 ZINC000095500014 211253187 /nfs/dbraw/zinc/25/31/87/211253187.db2.gz MDILXBMZTOZMED-GOSISDBHSA-N 2 0 397.947 2.263 50 0 GEAARP O=C(c1cccc(CC2CC[NH2+]CC2)c1)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072478333 211123702 /nfs/dbraw/zinc/12/37/02/211123702.db2.gz HCZZJXIWJDWVQK-UHFFFAOYSA-N 2 0 385.552 2.290 50 0 GEAARP C[NH+](C)CCCN1CC[NH+](CCc2nc(-c3ccc4cc[nH]c4c3)no2)CC1 ZINC000072402893 211111791 /nfs/dbraw/zinc/11/17/91/211111791.db2.gz ZHGDLFXVZKMHOW-UHFFFAOYSA-N 2 0 382.512 2.330 50 0 GEAARP CNc1cc(C)[nH+]c(N2CCC([N@@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)n1 ZINC000071751252 211056607 /nfs/dbraw/zinc/05/66/07/211056607.db2.gz XUDUKFIBENETRH-KRWDZBQOSA-N 2 0 386.544 2.130 50 0 GEAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CC([N@@H+]4CCCC[C@@H]4C)C3)cnn2c1 ZINC000067756926 211021431 /nfs/dbraw/zinc/02/14/31/211021431.db2.gz MEHNKNVVYNWUHG-INIZCTEOSA-N 2 0 384.528 2.270 50 0 GEAARP CC(C)([NH3+])c1cn(CC2CC[NH+]([C@@H]3CCN(Cc4ccccc4)C3)CC2)nn1 ZINC000020541459 210345236 /nfs/dbraw/zinc/34/52/36/210345236.db2.gz KIPUDQYKHSVNNT-HXUWFJFHSA-N 2 0 382.556 2.458 50 0 GEAARP COc1ccc(C[NH2+]CC2CCOCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000012710413 221220121 /nfs/dbraw/zinc/22/01/21/221220121.db2.gz DUWUXRSTKJHUCL-IBGZPJMESA-N 2 0 378.513 2.047 50 0 GEAARP CCc1cc(N2CCC([NH2+]CCCn3ccnc3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095510978 136180783 /nfs/dbraw/zinc/18/07/83/136180783.db2.gz UAOFTBWEJFOEHM-UHFFFAOYSA-N 2 0 383.544 2.484 50 0 GEAARP COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1 ZINC000104433272 570258695 /nfs/dbraw/zinc/25/86/95/570258695.db2.gz RRYRXNDYILJHPX-OAQYLSRUSA-N 2 0 375.557 2.437 50 0 GEAARP O[C@@H](COc1ccccc1C[NH2+]CCOc1cccnc1)C[NH+]1CCCCC1 ZINC000011843961 570588384 /nfs/dbraw/zinc/58/83/84/570588384.db2.gz FJBWYQSMNLDRHS-HXUWFJFHSA-N 2 0 385.508 2.476 50 0 GEAARP Cc1ccc2occ(CN3CCN(C4CC[NH+](C)CC4)[C@H](CCO)C3)c(=O)c2c1 ZINC000039357916 570589401 /nfs/dbraw/zinc/58/94/01/570589401.db2.gz HTUFORPEQYNONT-HXUWFJFHSA-N 2 0 399.535 2.064 50 0 GEAARP O=C1CCCN1CCC[NH2+]Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000012076735 570605798 /nfs/dbraw/zinc/60/57/98/570605798.db2.gz WRBGVFILZKLFNC-HXUWFJFHSA-N 2 0 389.540 2.014 50 0 GEAARP O=C1CCCN1CCC[NH2+]Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000012076737 570605876 /nfs/dbraw/zinc/60/58/76/570605876.db2.gz WRBGVFILZKLFNC-FQEVSTJZSA-N 2 0 389.540 2.014 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ocnc1C ZINC000012303630 570637627 /nfs/dbraw/zinc/63/76/27/570637627.db2.gz ZWQJTGNZZOCIOQ-LJQANCHMSA-N 2 0 392.544 2.268 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2cnn(C)c2C)ccc1OC ZINC000012386985 570651905 /nfs/dbraw/zinc/65/19/05/570651905.db2.gz JJMUBQUDMGYZDA-LJQANCHMSA-N 2 0 390.528 2.108 50 0 GEAARP COC(=O)C1CC[NH+](C[C@H](O)COc2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000012747131 570708742 /nfs/dbraw/zinc/70/87/42/570708742.db2.gz QJXZXMRNQOHGPS-FQEVSTJZSA-N 2 0 390.524 2.344 50 0 GEAARP O[C@H](COc1cccc(OC[C@@H](O)C[NH+]2CCCCC2)c1)C[NH+]1CCCCC1 ZINC000000864302 212191396 /nfs/dbraw/zinc/19/13/96/212191396.db2.gz FHFSLXLDKXBOQN-PMACEKPBSA-N 2 0 392.540 2.138 50 0 GEAARP COCCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+](Cc2ccccc2OC)C1 ZINC000011818478 221128522 /nfs/dbraw/zinc/12/85/22/221128522.db2.gz NSQREBKTUCJKGB-LJQANCHMSA-N 2 0 391.556 2.334 50 0 GEAARP O[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)s2)CC[C@H]1N1CCOCC1 ZINC000012744926 221223488 /nfs/dbraw/zinc/22/34/88/221223488.db2.gz DKLZRGVCKFWQCA-WOJBJXKFSA-N 2 0 379.570 2.001 50 0 GEAARP COc1cc(C[N@H+](C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[NH+](C)C(C)C ZINC000015068239 221329490 /nfs/dbraw/zinc/32/94/90/221329490.db2.gz BABKZIKJZHOMGZ-LJQANCHMSA-N 2 0 390.528 2.173 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000060348591 222059606 /nfs/dbraw/zinc/05/96/06/222059606.db2.gz AWMYCHKPJWXFCV-INIZCTEOSA-N 2 0 375.485 2.001 50 0 GEAARP O=C(NCCCCO)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071748862 222189253 /nfs/dbraw/zinc/18/92/53/222189253.db2.gz VLFZDBBKULFZQJ-OAQYLSRUSA-N 2 0 399.579 2.219 50 0 GEAARP [NH3+]C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCN(CCc4ccccc4)CC3)C2)CC1 ZINC000071765391 222195848 /nfs/dbraw/zinc/19/58/48/222195848.db2.gz HLKQAEUNWBMNKN-OAQYLSRUSA-N 2 0 398.595 2.355 50 0 GEAARP CC[NH+]1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[NH+]3CCCCC3)c2)CC1 ZINC000095516726 222344962 /nfs/dbraw/zinc/34/49/62/222344962.db2.gz NZYWOFUZYRWLIY-FQEVSTJZSA-N 2 0 391.556 2.058 50 0 GEAARP C[N@H+](Cc1ccc(OC[C@@H](O)CN2CC[NH+](C)CC2)cc1)C1CCSCC1 ZINC000095518751 222345147 /nfs/dbraw/zinc/34/51/47/222345147.db2.gz SPHYHGUDMPYWAA-FQEVSTJZSA-N 2 0 393.597 2.001 50 0 GEAARP COc1ccc(C[N@@H+]2CCCC2(C)C)c(OC[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095498751 222331356 /nfs/dbraw/zinc/33/13/56/222331356.db2.gz JPCYGAMKHRYOSA-IBGZPJMESA-N 2 0 391.556 2.057 50 0 GEAARP COc1ccc(C[N@H+](C)CC(C)(C)C)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000095499475 222334822 /nfs/dbraw/zinc/33/48/22/222334822.db2.gz JVOIGOKLEWRWBA-LJQANCHMSA-N 2 0 393.572 2.160 50 0 GEAARP COc1ccc(CN2CCC([NH+](C)C)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095505403 222338501 /nfs/dbraw/zinc/33/85/01/222338501.db2.gz KHJCGRNWERDOFC-FQEVSTJZSA-N 2 0 393.572 2.301 50 0 GEAARP O=C(N[C@H]1CC[NH2+]C1)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000082087098 222308804 /nfs/dbraw/zinc/30/88/04/222308804.db2.gz TZJCZVFFMQHNEJ-QFIPXVFZSA-N 3 0 398.595 2.274 50 0 GEAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1 ZINC000095521917 222346473 /nfs/dbraw/zinc/34/64/73/222346473.db2.gz RSCMYVZQMABVMQ-LJQANCHMSA-N 2 0 392.540 2.266 50 0 GEAARP C[NH+](C)CCN(C[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1c[nH]cn1 ZINC000095530518 222352619 /nfs/dbraw/zinc/35/26/19/222352619.db2.gz QUVPROYLDXPCPW-QGZVFWFLSA-N 2 0 387.503 2.465 50 0 GEAARP CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CC(=O)N3CCOCC3)CC2)C1 ZINC000096153776 222391639 /nfs/dbraw/zinc/39/16/39/222391639.db2.gz WQLVDAHVBQAUMD-NRFANRHFSA-N 2 0 385.552 2.437 50 0 GEAARP O=C(NCC[N@@H+]1CC[C@@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426517600 534340340 /nfs/dbraw/zinc/34/03/40/534340340.db2.gz PUQONECGMJJEBF-HXUWFJFHSA-N 2 0 379.508 2.403 50 0 GEAARP COc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C)ccc1OC1CC[NH+](C)CC1 ZINC000020137161 570241978 /nfs/dbraw/zinc/24/19/78/570241978.db2.gz CIJVRDZRXLNYET-QGZVFWFLSA-N 2 0 375.513 2.382 50 0 GEAARP O=C(NCCC[NH+]1CCCC1)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255857 570754338 /nfs/dbraw/zinc/75/43/38/570754338.db2.gz AOHUNCGPHHEITP-OAQYLSRUSA-N 2 0 393.535 2.448 50 0 GEAARP O=C(NCC[NH+]1CCCCC1)c1ccnc(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000065256028 570754763 /nfs/dbraw/zinc/75/47/63/570754763.db2.gz UMCTYHHCEZVCCU-OAQYLSRUSA-N 2 0 393.535 2.448 50 0 GEAARP C[C@@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019224262 570963907 /nfs/dbraw/zinc/96/39/07/570963907.db2.gz ONMYUQUHBPCNTK-IBGZPJMESA-N 2 0 387.568 2.293 50 0 GEAARP COc1ccc(C[NH+]2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1O ZINC000091535719 571013327 /nfs/dbraw/zinc/01/33/27/571013327.db2.gz VNABRTLVYTZTPJ-UHFFFAOYSA-N 2 0 375.513 2.167 50 0 GEAARP C[NH+](C)[C@H]1CCN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C[C@H]1CCCO ZINC000091624836 571019263 /nfs/dbraw/zinc/01/92/63/571019263.db2.gz PHSCJHALWHORDK-YADHBBJMSA-N 2 0 387.568 2.417 50 0 GEAARP CC[NH+]1CCN(C[C@@H]2C[N@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CO)CC1 ZINC000091644756 571021425 /nfs/dbraw/zinc/02/14/25/571021425.db2.gz SARYMJXREYMZQX-QZTJIDSGSA-N 2 0 385.474 2.383 50 0 GEAARP CCOCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091747067 571029399 /nfs/dbraw/zinc/02/93/99/571029399.db2.gz JLVYDEQHIJXOIT-OAQYLSRUSA-N 2 0 399.579 2.483 50 0 GEAARP COc1cc(CN2CC[N@H+](C)C(C)(C)C2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000108272702 231020391 /nfs/dbraw/zinc/02/03/91/231020391.db2.gz GRMYNGSXYFMCEN-IBGZPJMESA-N 2 0 391.556 2.057 50 0 GEAARP COc1ccc(OC[C@H](O)C[NH+](C)C)c(C[NH2+]CCc2ccccc2F)c1 ZINC000011946431 221140140 /nfs/dbraw/zinc/14/01/40/221140140.db2.gz RYSFLJGJKMJLNN-GOSISDBHSA-N 2 0 376.472 2.468 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccncc1 ZINC000012443225 221194854 /nfs/dbraw/zinc/19/48/54/221194854.db2.gz BWVMITIJLJSWDX-OAQYLSRUSA-N 2 0 388.556 2.367 50 0 GEAARP C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](COc3cccc(C(F)(F)F)c3)C2)C1 ZINC000014747560 221316437 /nfs/dbraw/zinc/31/64/37/221316437.db2.gz RWLOULCYPJSWLA-ZMSDIMECSA-N 2 0 399.457 2.472 50 0 GEAARP CC[NH+]1CCN(c2cc(C[NH2+][C@@H](C)CC(=O)N3CCCCCC3)ccn2)CC1 ZINC000095421343 136179154 /nfs/dbraw/zinc/17/91/54/136179154.db2.gz KVCWJFDNQYAWGW-IBGZPJMESA-N 2 0 387.572 2.494 50 0 GEAARP CCOc1ccc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000058341129 222048570 /nfs/dbraw/zinc/04/85/70/222048570.db2.gz CMBQOSYMQDIVBV-KRWDZBQOSA-N 2 0 383.558 2.122 50 0 GEAARP O=C(NCCCCO)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071748861 222189933 /nfs/dbraw/zinc/18/99/33/222189933.db2.gz VLFZDBBKULFZQJ-NRFANRHFSA-N 2 0 399.579 2.219 50 0 GEAARP COCCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000067434888 222146283 /nfs/dbraw/zinc/14/62/83/222146283.db2.gz KKQOPGGOQBTVCH-FQEVSTJZSA-N 2 0 385.552 2.093 50 0 GEAARP CC[NH+](CC)Cc1cnc2c(C(=O)N3CCC([NH+]4CCCC4)CC3)cnn2c1 ZINC000067885806 222165661 /nfs/dbraw/zinc/16/56/61/222165661.db2.gz LHPRQOGIAQGTFY-UHFFFAOYSA-N 2 0 384.528 2.272 50 0 GEAARP COCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071752857 222192392 /nfs/dbraw/zinc/19/23/92/222192392.db2.gz ZNHZVQCGWXVKKP-OAQYLSRUSA-N 2 0 399.579 2.435 50 0 GEAARP Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)n2)c1 ZINC000072480500 222267443 /nfs/dbraw/zinc/26/74/43/222267443.db2.gz OLOPYPDIADWBPF-QGZVFWFLSA-N 2 0 383.496 2.077 50 0 GEAARP C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000082083662 222307441 /nfs/dbraw/zinc/30/74/41/222307441.db2.gz OHFCVGSSPWMTNG-OAQYLSRUSA-N 3 0 398.595 2.008 50 0 GEAARP COc1ccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c(C[N@@H+]2CCCC2(C)C)c1 ZINC000095520491 222346882 /nfs/dbraw/zinc/34/68/82/222346882.db2.gz FWOQTRAAWDIXRH-LJQANCHMSA-N 2 0 392.540 2.266 50 0 GEAARP COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095520194 222346984 /nfs/dbraw/zinc/34/69/84/222346984.db2.gz OKGJBOIJBOWGHB-LJQANCHMSA-N 2 0 378.513 2.142 50 0 GEAARP O=C(N[C@H]1CC[NH2+]C1)c1cccc(OC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000095519352 222347466 /nfs/dbraw/zinc/34/74/66/222347466.db2.gz UJINAVVNVKJAMR-IBGZPJMESA-N 2 0 380.492 2.217 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1cc(CN2CC[N@H+](C)C(C)(C)C2)ccc1OC ZINC000095525413 222349308 /nfs/dbraw/zinc/34/93/08/222349308.db2.gz GUTNCOVXTNYDGY-IBGZPJMESA-N 2 0 393.572 2.303 50 0 GEAARP COC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000095529061 222352970 /nfs/dbraw/zinc/35/29/70/222352970.db2.gz KHOOWBMTTOTEIT-HXUWFJFHSA-N 2 0 390.524 2.297 50 0 GEAARP COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000095521918 222345758 /nfs/dbraw/zinc/34/57/58/222345758.db2.gz RSCMYVZQMABVMQ-IBGZPJMESA-N 2 0 392.540 2.266 50 0 GEAARP C[N@@H+]1CCN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@@]12CCNC(=O)CC2 ZINC000107413721 570309386 /nfs/dbraw/zinc/30/93/86/570309386.db2.gz ZVDZWOVHMRWIGZ-HXUWFJFHSA-N 2 0 376.570 2.130 50 0 GEAARP Cn1cc(CC[N@H+](C)Cc2ccccc2OC[C@H](O)C[NH+]2CCCCC2)cn1 ZINC000023340108 570355801 /nfs/dbraw/zinc/35/58/01/570355801.db2.gz VDLSSCXHKMPMFT-OAQYLSRUSA-N 2 0 386.540 2.320 50 0 GEAARP Cc1c(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)nnn1C1CC[NH2+]CC1 ZINC000237705236 570390755 /nfs/dbraw/zinc/39/07/55/570390755.db2.gz JGJFTMKCZQTHEC-KRWDZBQOSA-N 2 0 396.539 2.248 50 0 GEAARP [NH3+][C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccncc4)CC3)C2)CC1 ZINC000244882770 570433948 /nfs/dbraw/zinc/43/39/48/570433948.db2.gz XYSOSYIQGOZRKL-PCCBWWKXSA-N 3 0 399.583 2.144 50 0 GEAARP O=C(NCC[NH+]1CCCCC1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255858 570754231 /nfs/dbraw/zinc/75/42/31/570754231.db2.gz FYFOUIPZZPCBIY-NRFANRHFSA-N 2 0 393.535 2.448 50 0 GEAARP Cc1cccc(Cn2nc(CNCCC[NH2+]CCO)c(-c3ccccc3)n2)c1 ZINC000261491636 570789593 /nfs/dbraw/zinc/78/95/93/570789593.db2.gz AEEGASNCSWISDC-UHFFFAOYSA-N 2 0 379.508 2.363 50 0 GEAARP C[C@@H](C1CC[NH+](CCN2CCN(c3ccccc3)CC2)CC1)[NH+]1CCOCC1 ZINC000299799559 570897526 /nfs/dbraw/zinc/89/75/26/570897526.db2.gz SRZZEEQJFABXRG-NRFANRHFSA-N 2 0 386.584 2.241 50 0 GEAARP COc1cccc([C@H]2CN(C(=O)C3CC[NH+](Cc4ccco4)CC3)C[C@@H]2[NH3+])c1 ZINC000091325463 571003659 /nfs/dbraw/zinc/00/36/59/571003659.db2.gz BYDIJUJOCOCZLS-RTWAWAEBSA-N 2 0 383.492 2.454 50 0 GEAARP Cn1c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](CCCO)C2)cc2ccccc21 ZINC000091435054 571007507 /nfs/dbraw/zinc/00/75/07/571007507.db2.gz UYIOEDUSYLYSGT-OFNKIYASSA-N 2 0 384.568 2.389 50 0 GEAARP COc1ccc(O)cc1C[NH+]1CCC2(CCC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000091965740 571038074 /nfs/dbraw/zinc/03/80/74/571038074.db2.gz COTDGPUVLQJPIE-UHFFFAOYSA-N 2 0 375.513 2.167 50 0 GEAARP O=C(CC[NH+]1CCCC1)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095357590 571052922 /nfs/dbraw/zinc/05/29/22/571052922.db2.gz SOQOFNXUBOKEIV-CDNPAEQRSA-N 2 0 397.519 2.290 50 0 GEAARP O[C@@H](COc1cccc(OC[C@H](O)C[NH+]2CCCCC2)c1)C[NH+]1CCCCC1 ZINC000000864299 212191002 /nfs/dbraw/zinc/19/10/02/212191002.db2.gz FHFSLXLDKXBOQN-WOJBJXKFSA-N 2 0 392.540 2.138 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC ZINC000012459391 221198186 /nfs/dbraw/zinc/19/81/86/221198186.db2.gz MWPJAUCGYFEYIB-LJQANCHMSA-N 2 0 380.529 2.388 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1ccc(C[N@H+](C)CCc2cn[nH]c2)cc1OC ZINC000012385343 221188178 /nfs/dbraw/zinc/18/81/78/221188178.db2.gz KJHOSICZQKECAZ-IBGZPJMESA-N 2 0 390.528 2.174 50 0 GEAARP COc1cc(C[NH2+]CCC[NH2+]CCO)ccc1OCc1ccc(Cl)nc1 ZINC000013733099 221285188 /nfs/dbraw/zinc/28/51/88/221285188.db2.gz VWBURRABRKAUNI-UHFFFAOYSA-N 2 0 379.888 2.384 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccnc1 ZINC000015068747 221329700 /nfs/dbraw/zinc/32/97/00/221329700.db2.gz WYHBRHDRGGMNJS-NRFANRHFSA-N 2 0 388.556 2.367 50 0 GEAARP COc1cc(OC)c(C[N@@H+]2CCCN(C)C3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000067786927 222159420 /nfs/dbraw/zinc/15/94/20/222159420.db2.gz MORICTOIIATSDC-UHFFFAOYSA-N 2 0 377.529 2.314 50 0 GEAARP C[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071753933 222192672 /nfs/dbraw/zinc/19/26/72/222192672.db2.gz MXTXUZPKGKTFFB-OAQYLSRUSA-N 3 0 398.595 2.008 50 0 GEAARP CCn1cc(C[N@@H+]2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)cn1 ZINC000072157457 222212993 /nfs/dbraw/zinc/21/29/93/222212993.db2.gz FOAZXVZZCLEFTO-NJYVYQBISA-N 2 0 376.545 2.242 50 0 GEAARP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072422902 222257072 /nfs/dbraw/zinc/25/70/72/222257072.db2.gz BRTXRDPAWHSFGB-NRFANRHFSA-N 3 0 384.568 2.315 50 0 GEAARP CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072430557 222258834 /nfs/dbraw/zinc/25/88/34/222258834.db2.gz OWWCEDUZNHZAPO-IBGZPJMESA-N 2 0 383.540 2.336 50 0 GEAARP COc1ccc(C[N@H+](C)C2CCOCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095497077 222332775 /nfs/dbraw/zinc/33/27/75/222332775.db2.gz JRXGWNKBAJYAPS-IBGZPJMESA-N 2 0 378.513 2.142 50 0 GEAARP O=C(N[C@@H]1CC[NH2+]C1)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000095508353 222340952 /nfs/dbraw/zinc/34/09/52/222340952.db2.gz ATLLRJOCKWRMEN-GOSISDBHSA-N 2 0 380.492 2.217 50 0 GEAARP C[N@H+](CCCO)Cc1ccccc1OC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095515322 222344276 /nfs/dbraw/zinc/34/42/76/222344276.db2.gz ZIFQPIIOHQVRTL-QFIPXVFZSA-N 2 0 384.520 2.299 50 0 GEAARP C[N@H+](CCCO)Cc1ccccc1OC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000095515321 222344713 /nfs/dbraw/zinc/34/47/13/222344713.db2.gz ZIFQPIIOHQVRTL-JOCHJYFZSA-N 2 0 384.520 2.299 50 0 GEAARP [NH3+]CCc1cccc(C[NH+]2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095521980 222347281 /nfs/dbraw/zinc/34/72/81/222347281.db2.gz SEHWCCKCSYINMR-UHFFFAOYSA-N 2 0 393.535 2.197 50 0 GEAARP COc1cc(C[N@H+](C)CC2CC2)ccc1OC[C@@H](O)C[NH+]1CCSCC1 ZINC000095528064 222350679 /nfs/dbraw/zinc/35/06/79/222350679.db2.gz RQUOBWFGUBUMIM-SFHVURJKSA-N 2 0 380.554 2.326 50 0 GEAARP O=C(c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1)N1CC[NH2+]CC1 ZINC000095528413 222352067 /nfs/dbraw/zinc/35/20/67/222352067.db2.gz RFJZUFNNZVXHTG-UHFFFAOYSA-N 2 0 380.492 2.170 50 0 GEAARP CNC(=O)C[N@H+](C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095528560 222352430 /nfs/dbraw/zinc/35/24/30/222352430.db2.gz IWJGVTLJRWFRJS-QFIPXVFZSA-N 2 0 385.552 2.093 50 0 GEAARP C[NH+]1CCC(n2nc(-c3ccc(Cl)cc3)nc2C[C@H]2C[NH2+]CCO2)CC1 ZINC000096166016 222395659 /nfs/dbraw/zinc/39/56/59/222395659.db2.gz HPNINVUBEQSITG-KRWDZBQOSA-N 2 0 375.904 2.396 50 0 GEAARP O=c1cc(C[NH+]2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)cc[nH]1 ZINC000020256317 570250198 /nfs/dbraw/zinc/25/01/98/570250198.db2.gz WTAFWPCLXXZTNT-YADHBBJMSA-N 2 0 379.504 2.420 50 0 GEAARP Cn1cc(CC[N@H+](C)Cc2ccccc2OC[C@@H](O)C[NH+]2CCCCC2)cn1 ZINC000023340106 570355825 /nfs/dbraw/zinc/35/58/25/570355825.db2.gz VDLSSCXHKMPMFT-NRFANRHFSA-N 2 0 386.540 2.320 50 0 GEAARP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)NC)N(Cc3ccc(Cl)cc3)C2)CC1 ZINC000023362449 570356785 /nfs/dbraw/zinc/35/67/85/570356785.db2.gz IFQHNVGQPXQGLH-PMACEKPBSA-N 2 0 392.975 2.493 50 0 GEAARP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCCCCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000072309064 570530329 /nfs/dbraw/zinc/53/03/29/570530329.db2.gz MLELBJXKVZSNIX-BGYRXZFFSA-N 2 0 394.604 2.432 50 0 GEAARP O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CC[NH+](C3CCSCC3)CC2)CC1 ZINC000011815320 221128533 /nfs/dbraw/zinc/12/85/33/221128533.db2.gz BJJQNSPHTGEFTP-HXUWFJFHSA-N 2 0 395.613 2.354 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+]Cc2cn(C)nc2C)ccc1OC ZINC000012591100 221211617 /nfs/dbraw/zinc/21/16/17/221211617.db2.gz SQKYERRTVDCHKC-LJQANCHMSA-N 2 0 390.528 2.108 50 0 GEAARP Cc1cc(N2CCC([NH2+]C[C@@H]3C[C@H](F)CN3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000095503958 136180108 /nfs/dbraw/zinc/18/01/08/136180108.db2.gz OXZBYCJTQCLVQZ-WMZOPIPTSA-N 2 0 376.524 2.034 50 0 GEAARP Cc1sc2nc(CC[NH3+])nc(N3CC[N@H+](CC4CC4)[C@@H](CCO)C3)c2c1C ZINC000106257168 136191620 /nfs/dbraw/zinc/19/16/20/136191620.db2.gz XHQWUSYEUBULQC-INIZCTEOSA-N 2 0 389.569 2.092 50 0 GEAARP O=C(NCc1cccnc1)C1CC[NH+](C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000071746595 222187034 /nfs/dbraw/zinc/18/70/34/222187034.db2.gz PYHFFDSELLKDGN-UHFFFAOYSA-N 2 0 386.540 2.053 50 0 GEAARP COc1ccc(CN(C)C(=O)[C@@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c2cccnc12 ZINC000072412340 222256916 /nfs/dbraw/zinc/25/69/16/222256916.db2.gz PVNSIYIFDMUIDB-SFHVURJKSA-N 2 0 382.508 2.276 50 0 GEAARP CC1(C)CC(Nc2ncc(S(C)(=O)=O)c([C@H]3CCC[NH2+]C3)n2)CC(C)(C)[NH2+]1 ZINC000072418964 222257521 /nfs/dbraw/zinc/25/75/21/222257521.db2.gz IOARIUPGQQRELT-ZDUSSCGKSA-N 2 0 395.573 2.068 50 0 GEAARP CN(Cc1ccccc1C[NH+]1CCCC1)C(=O)CCc1cc2n(n1)CC[NH2+]C2 ZINC000072463615 222263109 /nfs/dbraw/zinc/26/31/09/222263109.db2.gz LPPWAICFSVSIFQ-UHFFFAOYSA-N 2 0 381.524 2.173 50 0 GEAARP CC[N@H+](CCO)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095503681 222335482 /nfs/dbraw/zinc/33/54/82/222335482.db2.gz OSYJOLRMAWPSEH-QFIPXVFZSA-N 2 0 384.520 2.299 50 0 GEAARP C[N@H+](CCCO)Cc1cccc(OC[C@@H](O)C[NH+]2CCc3ccccc3C2)c1 ZINC000095524993 222348465 /nfs/dbraw/zinc/34/84/65/222348465.db2.gz GNPOBUVOANUQFO-QFIPXVFZSA-N 2 0 384.520 2.299 50 0 GEAARP C[N@H+](C[C@H](O)COc1cccc(CN2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000019837582 570224333 /nfs/dbraw/zinc/22/43/33/570224333.db2.gz HGFXYGRQTXSQEV-NRFANRHFSA-N 2 0 375.557 2.438 50 0 GEAARP COc1ccc(CN2CCN(C3CC[NH+](C(C)C)CC3)[C@H](CCO)C2)cc1O ZINC000104645780 570255825 /nfs/dbraw/zinc/25/58/25/570255825.db2.gz KQSFGFHPTKSMAN-HXUWFJFHSA-N 2 0 391.556 2.142 50 0 GEAARP C[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]CCc3ccccc3)cc2)CC1 ZINC000020783316 570280217 /nfs/dbraw/zinc/28/02/17/570280217.db2.gz KCPBURQAZAZMAC-QFIPXVFZSA-N 2 0 383.536 2.006 50 0 GEAARP CC(C)CNC(=O)[C@@H]1C[C@H](CN2CC[NH+](C)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000023354267 570356457 /nfs/dbraw/zinc/35/64/57/570356457.db2.gz HZFQOGHEYLFOQO-FGZHOGPDSA-N 2 0 386.584 2.144 50 0 GEAARP CCC[NH+]1CCC(N2CCN(C3CC[NH+](C(C)C)CC3)[C@@H](CCO)C2)CC1 ZINC000019594766 571020201 /nfs/dbraw/zinc/02/02/01/571020201.db2.gz SPYAWIZXTAWUHJ-QFIPXVFZSA-N 2 0 380.621 2.102 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1CCOCC1 ZINC000012073878 221147305 /nfs/dbraw/zinc/14/73/05/221147305.db2.gz PJALIRLIIVAHQY-NRFANRHFSA-N 2 0 395.588 2.084 50 0 GEAARP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(OC2CC[NH+](C)CC2)c(OC)c1 ZINC000012573547 221208272 /nfs/dbraw/zinc/20/82/72/221208272.db2.gz PYVGNQVGOIZYIU-QGZVFWFLSA-N 2 0 375.513 2.382 50 0 GEAARP C[NH+]1CCC(C[NH+]2CCN(CCC(=O)N3CCCc4ccccc43)CC2)CC1 ZINC000065403964 136163907 /nfs/dbraw/zinc/16/39/07/136163907.db2.gz LEWYWWDWRMOGRL-UHFFFAOYSA-N 2 0 384.568 2.315 50 0 GEAARP Cc1cccc2[nH]c(C3CCN(C(=O)[C@H]4CC5(C[NH2+]4)CC[NH2+]CC5)CC3)nc21 ZINC000072168568 222213965 /nfs/dbraw/zinc/21/39/65/222213965.db2.gz MYKRJVIWADTIDS-GOSISDBHSA-N 2 0 381.524 2.309 50 0 GEAARP COCC[N@H+](C)CCN1CC2(CC[NH+](Cc3ccc(C)cc3)CC2)OC1=O ZINC000072409527 222255490 /nfs/dbraw/zinc/25/54/90/222255490.db2.gz XZOZLDHDZQVGTK-UHFFFAOYSA-N 2 0 375.513 2.360 50 0 GEAARP C[NH+]1CCC(N(CCc2ccccc2)C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CC1 ZINC000072417981 222256429 /nfs/dbraw/zinc/25/64/29/222256429.db2.gz PAZMARUGZWPMRG-QFIPXVFZSA-N 2 0 381.520 2.428 50 0 GEAARP COc1ccc(CN(C)C(=O)[C@H]2CC3(C[N@@H+]2C)CC[NH2+]CC3)c2cccnc12 ZINC000072412339 222257353 /nfs/dbraw/zinc/25/73/53/222257353.db2.gz PVNSIYIFDMUIDB-GOSISDBHSA-N 2 0 382.508 2.276 50 0 GEAARP CCC[N@@H+]1CC2(C[C@@H]1C(=O)N(C)CCCc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072425865 222258592 /nfs/dbraw/zinc/25/85/92/222258592.db2.gz SPDKJHWUMNMFMQ-LJQANCHMSA-N 2 0 375.561 2.007 50 0 GEAARP Cc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CC4(C[N@@H+]3C)CC[NH2+]CC4)cn2)c1 ZINC000072477430 222264660 /nfs/dbraw/zinc/26/46/60/222264660.db2.gz LBIQQEFTYMECGP-FQEVSTJZSA-N 2 0 381.524 2.213 50 0 GEAARP [NH3+]Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)cc1 ZINC000082170651 222312665 /nfs/dbraw/zinc/31/26/65/222312665.db2.gz SZYBKKAYLXHLGV-HXUWFJFHSA-N 2 0 398.551 2.084 50 0 GEAARP O[C@H](COc1cccc(C[NH+]2CCC(O)CC2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000095519290 222346605 /nfs/dbraw/zinc/34/66/05/222346605.db2.gz ZKBUGPRHWQNJGR-QHCPKHFHSA-N 2 0 396.531 2.441 50 0 GEAARP CC[NH+]1CCN(C[C@@H](O)COc2cccc(C[N@@H+]3CCCC3(C)C)c2)CC1 ZINC000095528408 222352300 /nfs/dbraw/zinc/35/23/00/222352300.db2.gz XSCAVYHDARWPDW-HXUWFJFHSA-N 2 0 375.557 2.438 50 0 GEAARP C[NH+](C)C1CCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1 ZINC000095531646 222354405 /nfs/dbraw/zinc/35/44/05/222354405.db2.gz GNVKRYQCLHSBFV-FQEVSTJZSA-N 2 0 393.597 2.001 50 0 GEAARP COc1cc(C[NH2+]Cc2ccccc2CN2CC[NH+](C)CC2)cc2c1OCO2 ZINC000048375466 570249592 /nfs/dbraw/zinc/24/95/92/570249592.db2.gz OKLKANGWLAZEPE-UHFFFAOYSA-N 2 0 383.492 2.461 50 0 GEAARP C[NH+](C)CCNC(=O)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000034684071 570301265 /nfs/dbraw/zinc/30/12/65/570301265.db2.gz NAVBRCJDHCTPLU-UHFFFAOYSA-N 2 0 380.536 2.296 50 0 GEAARP O=C(NCC[NH+]1CCCC1)c1ccnc(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000065255965 570754622 /nfs/dbraw/zinc/75/46/22/570754622.db2.gz GGPSFZGMJUUKPR-FQEVSTJZSA-N 2 0 379.508 2.058 50 0 GEAARP CCCNC(=O)[C@@H]1CCC[N@H+](CC[C@H](C)[NH+]2CCC[C@H](C(=O)NCCC)C2)C1 ZINC000107148438 570971187 /nfs/dbraw/zinc/97/11/87/570971187.db2.gz DXOYKLSXPDUCEA-ZCNNSNEGSA-N 2 0 394.604 2.241 50 0 GEAARP Cc1ccc2ncccc2c1C[NH+]1C[C@H](CO)[C@H](CN2CCC[N@@H+](C)CC2)C1 ZINC000092078762 571044333 /nfs/dbraw/zinc/04/43/33/571044333.db2.gz BLMAFIYARYKHIX-WOJBJXKFSA-N 2 0 382.552 2.221 50 0 GEAARP CCn1ccc2c1cccc2C[N@@H+]1C[C@H](CO)[C@H](CN2CC[NH+](CC)CC2)C1 ZINC000095391416 571073108 /nfs/dbraw/zinc/07/31/08/571073108.db2.gz ROBJTRYZDBONCJ-NHCUHLMSSA-N 2 0 384.568 2.339 50 0 GEAARP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[NH2+]C(C)(C)C)c2)CC1 ZINC000011934856 221139310 /nfs/dbraw/zinc/13/93/10/221139310.db2.gz ORTGMSGNGZTBBZ-SFHVURJKSA-N 2 0 378.513 2.199 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC ZINC000012049003 221145551 /nfs/dbraw/zinc/14/55/51/221145551.db2.gz HDVNKQFZLBXZCA-SFHVURJKSA-N 2 0 380.529 2.388 50 0 GEAARP COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000012570440 221209049 /nfs/dbraw/zinc/20/90/49/221209049.db2.gz MKXPLHHLGNQXIU-IBGZPJMESA-N 2 0 380.529 2.291 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(OC2CC[NH+](C)CC2)c(OC)c1 ZINC000012573553 221209200 /nfs/dbraw/zinc/20/92/00/221209200.db2.gz PYVGNQVGOIZYIU-KRWDZBQOSA-N 2 0 375.513 2.382 50 0 GEAARP O[C@H](COc1ccccc1C[NH2+]CC1(O)CCCCC1)C[NH+]1CCSCC1 ZINC000014979792 221323977 /nfs/dbraw/zinc/32/39/77/221323977.db2.gz QYMFVZFXNJBRCT-IBGZPJMESA-N 2 0 394.581 2.260 50 0 GEAARP COCC[NH2+]Cc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015074302 221330486 /nfs/dbraw/zinc/33/04/86/221330486.db2.gz YFKIVRDPJUUVKJ-LJQANCHMSA-N 2 0 380.529 2.437 50 0 GEAARP Cc1c[nH+]ccc1N1CCN(C(=O)c2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000065488152 136164021 /nfs/dbraw/zinc/16/40/21/136164021.db2.gz JVFCOBRPURWIKA-UHFFFAOYSA-N 2 0 379.508 2.104 50 0 GEAARP C[N@@H+]1CC2(C[C@@H]1C(=O)N1CCN(c3ccccc3Cl)CC1)CC[NH2+]CC2 ZINC000072411916 136169655 /nfs/dbraw/zinc/16/96/55/136169655.db2.gz QTRDLABMPSPUKW-GOSISDBHSA-N 2 0 376.932 2.063 50 0 GEAARP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000058160799 222042348 /nfs/dbraw/zinc/04/23/48/222042348.db2.gz PCROPLYVPNGSAX-MRXNPFEDSA-N 2 0 380.492 2.498 50 0 GEAARP COCCN(C)C(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071752858 222191455 /nfs/dbraw/zinc/19/14/55/222191455.db2.gz ZNHZVQCGWXVKKP-NRFANRHFSA-N 2 0 399.579 2.435 50 0 GEAARP CCN(CCc1nc2c(cccc2C)[nH]1)C(=O)[C@@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072480029 222267246 /nfs/dbraw/zinc/26/72/46/222267246.db2.gz XAUIHKLIWCHZOG-SFHVURJKSA-N 2 0 383.540 2.336 50 0 GEAARP C/C=C(\C)C[NH+]1CCC2(CN(CCN3CC[NH+](C(C)C)CC3)C(=O)O2)CC1 ZINC000072425893 222258883 /nfs/dbraw/zinc/25/88/83/222258883.db2.gz UUALFMUHMLZHEW-PTXOJBNSSA-N 2 0 378.561 2.265 50 0 GEAARP COc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095498380 222332784 /nfs/dbraw/zinc/33/27/84/222332784.db2.gz PZSYNJKSUSDKLI-IBGZPJMESA-N 2 0 390.524 2.286 50 0 GEAARP COc1ccc(C[N@H+](C)CC2CCOCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095503271 222336395 /nfs/dbraw/zinc/33/63/95/222336395.db2.gz BSHDCTXJZPXQEF-FQEVSTJZSA-N 2 0 392.540 2.389 50 0 GEAARP COc1cc(CN2CC[N@H+](C)C(C)(C)C2)ccc1OC[C@@H](O)C[NH+](C)C(C)C ZINC000095511023 222343073 /nfs/dbraw/zinc/34/30/73/222343073.db2.gz UDZGYIMDTVWWOF-IBGZPJMESA-N 2 0 393.572 2.301 50 0 GEAARP [NH3+][C@@H]1CCN(C(=O)c2ccc(OC3CC[NH+](Cc4ccccn4)CC3)cc2)C1 ZINC000095517086 222343484 /nfs/dbraw/zinc/34/34/84/222343484.db2.gz BQFCNLOCAUEIJU-GOSISDBHSA-N 2 0 380.492 2.298 50 0 GEAARP C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000082137304 222310561 /nfs/dbraw/zinc/31/05/61/222310561.db2.gz XZJZGTGTCJKPIW-OAQYLSRUSA-N 3 0 398.595 2.056 50 0 GEAARP COc1cc(C[NH+]2CCC(C)(CO)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095531822 222355036 /nfs/dbraw/zinc/35/50/36/222355036.db2.gz DIIWQDJQHZSHFM-IBGZPJMESA-N 2 0 394.556 2.370 50 0 GEAARP CCC[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)[C@H]1Cc3ccccc3C[NH2+]1)CC2 ZINC000096132751 528262052 /nfs/dbraw/zinc/26/20/52/528262052.db2.gz MAIFQHQPOHZFEQ-HXUWFJFHSA-N 2 0 393.535 2.210 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1ccc(C[NH2+]CCN2CCCCC2)cc1OC ZINC000020534138 570265931 /nfs/dbraw/zinc/26/59/31/570265931.db2.gz IPKIQTQKEQUOJM-HXUWFJFHSA-N 2 0 393.572 2.352 50 0 GEAARP CCN(CC)CC[NH2+]Cc1ccc(OC[C@H](O)C[N@H+](C)C(C)C)c(OC)c1 ZINC000020996115 570286646 /nfs/dbraw/zinc/28/66/46/570286646.db2.gz ZAAKJQDJHRYWQN-LJQANCHMSA-N 2 0 381.561 2.207 50 0 GEAARP C[NH+](C)CCNC(=O)CCC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000012591765 570687671 /nfs/dbraw/zinc/68/76/71/570687671.db2.gz SZCGJMSXRLSXJP-UHFFFAOYSA-N 2 0 375.513 2.128 50 0 GEAARP O=C(NCC[NH+]1CCCCC1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256357 570755149 /nfs/dbraw/zinc/75/51/49/570755149.db2.gz UWXBNVCZISXNAS-NRFANRHFSA-N 2 0 393.535 2.448 50 0 GEAARP C[NH+](C)[C@H]1CN(C(=O)c2ccc(-c3cccc4c(N)cc[nH+]c43)cc2)C[C@@H]1O ZINC000534584981 570904064 /nfs/dbraw/zinc/90/40/64/570904064.db2.gz QHVILPHGLFDUQQ-PMACEKPBSA-N 2 0 376.460 2.061 50 0 GEAARP CC[NH+]1CCN(C[C@H](O)COc2ccc(C[NH2+]C3CCCC3)cc2OC)CC1 ZINC000019218595 570962411 /nfs/dbraw/zinc/96/24/11/570962411.db2.gz IZNFXKJTBFZOJS-FQEVSTJZSA-N 2 0 391.556 2.105 50 0 GEAARP C[C@H](CO)NC(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019224265 570963827 /nfs/dbraw/zinc/96/38/27/570963827.db2.gz ONMYUQUHBPCNTK-LJQANCHMSA-N 2 0 387.568 2.293 50 0 GEAARP COc1ccc(C[NH2+]C2CCCCC2)c(OC[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000019224912 570964122 /nfs/dbraw/zinc/96/41/22/570964122.db2.gz DFBRMAYPRGVPHC-HXUWFJFHSA-N 2 0 391.556 2.105 50 0 GEAARP COc1ccc2cc(C[N@@H+]3C[C@H](CO)[C@H](C[NH+]4CCC(O)CC4)C3)ccc2c1 ZINC000095359014 571054152 /nfs/dbraw/zinc/05/41/52/571054152.db2.gz YOVVXRLKHNGGCH-NHCUHLMSSA-N 2 0 384.520 2.345 50 0 GEAARP COc1ccc([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000095371475 571061189 /nfs/dbraw/zinc/06/11/89/571061189.db2.gz PAZPFTQITLOOGS-BHDDXSALSA-N 2 0 383.536 2.426 50 0 GEAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3CSCCSC3)C[C@@H]2CCO)CC1 ZINC000022929048 531593972 /nfs/dbraw/zinc/59/39/72/531593972.db2.gz AQZKWKJOKNBGCW-SFHVURJKSA-N 2 0 387.659 2.076 50 0 GEAARP CCOc1cc(C[NH2+]CC2CC[NH2+]CC2)ccc1OCC(=O)NC(C)(C)C ZINC000010434673 221102449 /nfs/dbraw/zinc/10/24/49/221102449.db2.gz DRASLSSFZBVICM-UHFFFAOYSA-N 2 0 377.529 2.468 50 0 GEAARP CC[N@H+](Cc1ccncc1)Cc1cccc(OC[C@@H](O)C[NH+]2CCC(O)CC2)c1 ZINC000011818109 221127857 /nfs/dbraw/zinc/12/78/57/221127857.db2.gz NHEUFEXDVMWRAW-QFIPXVFZSA-N 2 0 399.535 2.300 50 0 GEAARP COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000011821911 221128976 /nfs/dbraw/zinc/12/89/76/221128976.db2.gz VQRUPIPFQWOATL-HXUWFJFHSA-N 2 0 385.508 2.258 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH+]2CCC(OC)CC2)ccc1OC ZINC000012049000 221145593 /nfs/dbraw/zinc/14/55/93/221145593.db2.gz HDVNKQFZLBXZCA-GOSISDBHSA-N 2 0 380.529 2.388 50 0 GEAARP CC[N@@H+]1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccncc1 ZINC000012443227 221195252 /nfs/dbraw/zinc/19/52/52/221195252.db2.gz BWVMITIJLJSWDX-NRFANRHFSA-N 2 0 388.556 2.367 50 0 GEAARP CC[NH+](CC)C[C@H](O)COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC ZINC000012459392 221198799 /nfs/dbraw/zinc/19/87/99/221198799.db2.gz MWPJAUCGYFEYIB-IBGZPJMESA-N 2 0 380.529 2.388 50 0 GEAARP CC(C)CCN1C(=O)N(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014744019 221316271 /nfs/dbraw/zinc/31/62/71/221316271.db2.gz XGHYQFNGSOPASI-KRWDZBQOSA-N 2 0 396.601 2.198 50 0 GEAARP Cc1n[nH]c(C)c1CCNC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C(C)C)CC2)C1 ZINC000015075242 221331469 /nfs/dbraw/zinc/33/14/69/221331469.db2.gz DTAJAWOFHYHLJD-SFHVURJKSA-N 2 0 375.561 2.270 50 0 GEAARP CNc1cc(C)[nH+]c(N2CC[C@@H]3C[C@H]([NH+]4CCOCC4)CC[C@@]3(COC)C2)n1 ZINC000095368104 136178211 /nfs/dbraw/zinc/17/82/11/136178211.db2.gz HGRAFHQALPKHEJ-OPYAIIAOSA-N 2 0 389.544 2.171 50 0 GEAARP CCN(CCc1nc2c(cccc2C)[nH]1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072480030 222267115 /nfs/dbraw/zinc/26/71/15/222267115.db2.gz XAUIHKLIWCHZOG-GOSISDBHSA-N 2 0 383.540 2.336 50 0 GEAARP CN(C)C(=O)C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095503937 222335827 /nfs/dbraw/zinc/33/58/27/222335827.db2.gz VNVCPAGUUCZRCJ-HSZRJFAPSA-N 2 0 399.579 2.435 50 0 GEAARP COc1ccc(C[NH+]2CCC(CO)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095516906 222343819 /nfs/dbraw/zinc/34/38/19/222343819.db2.gz HXNCJKCDAXCRTM-HXUWFJFHSA-N 2 0 392.540 2.125 50 0 GEAARP C[N@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCC(O)CC2)c1)C1CCSCC1 ZINC000095523639 222348890 /nfs/dbraw/zinc/34/88/90/222348890.db2.gz KBFYXROIEZTAIH-HXUWFJFHSA-N 2 0 394.581 2.210 50 0 GEAARP COC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000095530398 222352261 /nfs/dbraw/zinc/35/22/61/222352261.db2.gz PEVXIUNDBHFRFA-IBGZPJMESA-N 2 0 378.513 2.152 50 0 GEAARP CNC(=O)C[N@H+](C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095528561 222353399 /nfs/dbraw/zinc/35/33/99/222353399.db2.gz IWJGVTLJRWFRJS-JOCHJYFZSA-N 2 0 385.552 2.093 50 0 GEAARP Cc1nccc(C2CC[NH+](Cc3ccc(OC[C@@H](O)C[NH+](C)C)cc3)CC2)n1 ZINC000095531108 222353609 /nfs/dbraw/zinc/35/36/09/222353609.db2.gz VYGYDJXWTBJYQV-FQEVSTJZSA-N 2 0 384.524 2.466 50 0 GEAARP COc1cc(C[NH+]2CCC(C)(CO)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095531823 222354569 /nfs/dbraw/zinc/35/45/69/222354569.db2.gz DIIWQDJQHZSHFM-LJQANCHMSA-N 2 0 394.556 2.370 50 0 GEAARP [NH3+]CCCN(Cc1ccccc1Oc1ccccc1)S(=O)(=O)CCC[NH3+] ZINC000095944514 222362718 /nfs/dbraw/zinc/36/27/18/222362718.db2.gz SXSFCAMXTASCNW-UHFFFAOYSA-N 2 0 377.510 2.308 50 0 GEAARP Cc1cc(-n2cccn2)ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000019720628 570211445 /nfs/dbraw/zinc/21/14/45/570211445.db2.gz NKRIEDFFKFWRDU-QHCPKHFHSA-N 2 0 397.567 2.144 50 0 GEAARP CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C[C@@H]2CO ZINC000097425140 570243966 /nfs/dbraw/zinc/24/39/66/570243966.db2.gz BXMFYVUBWTUWEQ-LJQANCHMSA-N 2 0 384.528 2.173 50 0 GEAARP CC(C)[NH+]1CCC(N2CC[N@@H+](C3CSCCSC3)C[C@H]2CCO)CC1 ZINC000104842898 570260639 /nfs/dbraw/zinc/26/06/39/570260639.db2.gz AQZKWKJOKNBGCW-GOSISDBHSA-N 2 0 387.659 2.076 50 0 GEAARP COc1cc(C)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)cc1C ZINC000020779334 570279951 /nfs/dbraw/zinc/27/99/51/570279951.db2.gz TVEHPLPBEKKMLQ-NRFANRHFSA-N 2 0 375.557 2.275 50 0 GEAARP CC[NH+](CC)C[C@@H](O)COc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1OC ZINC000244874885 570433864 /nfs/dbraw/zinc/43/38/64/570433864.db2.gz XIXZRNAJZANAFU-GUDVDZBRSA-N 2 0 380.529 2.170 50 0 GEAARP CCN(CCO)C(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091690887 571025943 /nfs/dbraw/zinc/02/59/43/571025943.db2.gz KFNYBAMPOLQWDD-OAQYLSRUSA-N 2 0 399.579 2.171 50 0 GEAARP Cc1ccc(C(=O)N2CC[NH+](C3Cc4ccccc4C3)CC2)cc1OCC[NH3+] ZINC000426563581 231240882 /nfs/dbraw/zinc/24/08/82/231240882.db2.gz ZTBGDRCZKNGLSC-UHFFFAOYSA-N 2 0 379.504 2.258 50 0 GEAARP Cc1cc(N2CCC([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CC2)nc(N)[nH+]1 ZINC000095366457 136178276 /nfs/dbraw/zinc/17/82/76/136178276.db2.gz KZPWYEGQFPEBAG-UHFFFAOYSA-N 2 0 381.459 2.451 50 0 GEAARP C[N@@H+]1CCC[C@@H]1CCNC(=O)C1(Oc2ccc3ncccc3c2)CC[NH2+]CC1 ZINC000065369933 222126012 /nfs/dbraw/zinc/12/60/12/222126012.db2.gz KYUZXCJWGZVTFV-GOSISDBHSA-N 2 0 382.508 2.336 50 0 GEAARP CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)[C@H]1CC2(C[N@@H+]1C)CC[NH2+]CC2 ZINC000072430558 222258963 /nfs/dbraw/zinc/25/89/63/222258963.db2.gz OWWCEDUZNHZAPO-LJQANCHMSA-N 2 0 383.540 2.336 50 0 GEAARP CCC[N@@H+]1CC2(C[C@H]1C(=O)N(C)CCCc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072425866 222259032 /nfs/dbraw/zinc/25/90/32/222259032.db2.gz SPDKJHWUMNMFMQ-IBGZPJMESA-N 2 0 375.561 2.007 50 0 GEAARP C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)C[NH+]2CCCCCC2)C1 ZINC000095505092 222338747 /nfs/dbraw/zinc/33/87/47/222338747.db2.gz RMGFCDJLCPRGSB-IBGZPJMESA-N 2 0 375.561 2.417 50 0 GEAARP C[NH+](C)CCN(C[C@H]1CCC[N@H+](Cc2ccccc2F)C1)C(=O)c1cnon1 ZINC000095506660 222338936 /nfs/dbraw/zinc/33/89/36/222338936.db2.gz VHGARYLXQFOMRB-INIZCTEOSA-N 2 0 389.475 2.125 50 0 GEAARP COc1ccc(C[NH+]2CCC3(CCO3)CC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095523647 222348689 /nfs/dbraw/zinc/34/86/89/222348689.db2.gz HIIYLLVZZCFOFK-LJQANCHMSA-N 2 0 390.524 2.286 50 0 GEAARP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000096003145 222369502 /nfs/dbraw/zinc/36/95/02/222369502.db2.gz OFQVZVAWORAWHO-SESVDKBCSA-N 2 0 391.581 2.301 50 0 GEAARP CC(C)=CC[N@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1CCO ZINC000019721090 570211303 /nfs/dbraw/zinc/21/13/03/570211303.db2.gz PTOJSTICBSFKDV-NRFANRHFSA-N 2 0 375.557 2.462 50 0 GEAARP C[N@H+](C[C@@H](O)COc1cccc(CN2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000019837584 570224309 /nfs/dbraw/zinc/22/43/09/570224309.db2.gz HGFXYGRQTXSQEV-OAQYLSRUSA-N 2 0 375.557 2.438 50 0 GEAARP CC(C)=CC[N@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1CCO ZINC000104636218 570255799 /nfs/dbraw/zinc/25/57/99/570255799.db2.gz PTOJSTICBSFKDV-OAQYLSRUSA-N 2 0 375.557 2.462 50 0 GEAARP CCN1CC[NH+](C2CCN(C(=O)c3ccc([C@H]4CCC[NH2+]4)s3)CC2)CC1 ZINC000020472551 570261046 /nfs/dbraw/zinc/26/10/46/570261046.db2.gz WRGZSPOCCXNTSJ-QGZVFWFLSA-N 2 0 376.570 2.415 50 0 GEAARP CC(C)([NH3+])c1cn(CC2CC[NH+]([C@H]3CCN(Cc4ccccc4)C3)CC2)nn1 ZINC000020541461 570266610 /nfs/dbraw/zinc/26/66/10/570266610.db2.gz KIPUDQYKHSVNNT-FQEVSTJZSA-N 2 0 382.556 2.458 50 0 GEAARP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCCCCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000252671024 570480211 /nfs/dbraw/zinc/48/02/11/570480211.db2.gz MLELBJXKVZSNIX-PMACEKPBSA-N 2 0 394.604 2.432 50 0 GEAARP COCCCN(C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1)C1CC[NH+](C)CC1 ZINC000055042169 570680041 /nfs/dbraw/zinc/68/00/41/570680041.db2.gz GVFSHFGUZHAOSS-GOSISDBHSA-N 2 0 377.529 2.451 50 0 GEAARP O=C([C@H]1CC2(C[NH2+]1)CC[NH2+]CC2)N(CCc1ccccc1)Cc1ccccn1 ZINC000072144270 570871141 /nfs/dbraw/zinc/87/11/41/570871141.db2.gz MQDSBODHYFURKO-OAQYLSRUSA-N 2 0 378.520 2.385 50 0 GEAARP C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CC[NH+](CC3CC3)CC2)nc1 ZINC000019225417 570963809 /nfs/dbraw/zinc/96/38/09/570963809.db2.gz IYRIETIFPVQKFR-FQEVSTJZSA-N 2 0 385.556 2.218 50 0 GEAARP