smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000015673720 291275244 /nfs/dbraw/zinc/27/52/44/291275244.db2.gz ZQSLEUYNAKQZIN-PMACEKPBSA-N 1 0 411.590 4.666 40 0 biogenic,in-vitro HJABRO COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](CCCc3ccccc3)C2)cc1 ZINC000004237512 291277129 /nfs/dbraw/zinc/27/71/29/291277129.db2.gz HDYKYSGPLUKROO-JTHBVZDNSA-N 1 0 414.549 4.576 40 0 biogenic,in-vitro HJABRO CCCOc1ccccc1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044851575 520475460 /nfs/dbraw/zinc/47/54/60/520475460.db2.gz STOZYGMIZDUBAA-JOCHJYFZSA-N 1 0 412.549 4.576 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1Cl ZINC000044939850 521490555 /nfs/dbraw/zinc/49/05/55/521490555.db2.gz MUFNLXCHFQUGJZ-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1C ZINC000044911670 521536682 /nfs/dbraw/zinc/53/66/82/521536682.db2.gz FQQOYFRXNYMFIB-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCCCC1 ZINC000225709294 521634523 /nfs/dbraw/zinc/63/45/23/521634523.db2.gz HITIMQYROAGYIV-PMACEKPBSA-N 1 0 402.579 4.721 40 0 HJABRO C[C@@H](CC[NH+]1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1)c1ccccc1 ZINC000072352156 524484008 /nfs/dbraw/zinc/48/40/08/524484008.db2.gz POSIEXXACDQZOB-FQEVSTJZSA-N 1 0 420.601 4.597 40 0 HJABRO Cc1ccc(OC[C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044852979 525436198 /nfs/dbraw/zinc/43/61/98/525436198.db2.gz JGRIOVAOKKKOIR-NRFANRHFSA-N 1 0 414.549 4.751 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000044855664 525552603 /nfs/dbraw/zinc/55/26/03/525552603.db2.gz FOIUUUHTFLRUOD-QHCPKHFHSA-N 1 0 422.569 4.634 40 0 HJABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044855361 526174245 /nfs/dbraw/zinc/17/42/45/526174245.db2.gz DXYWFGYPDCIKGT-KNQAVFIVSA-N 1 0 410.533 4.765 40 0 HJABRO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccccc3C)CC1)CC(C)(C)O2 ZINC000044855221 526199328 /nfs/dbraw/zinc/19/93/28/526199328.db2.gz IVNQTMCUJMSECO-HSZRJFAPSA-N 1 0 406.570 4.934 40 0 HJABRO O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044786667 527408243 /nfs/dbraw/zinc/40/82/43/527408243.db2.gz IJLXXSUKPMRELK-UHFFFAOYSA-N 1 0 405.542 4.551 40 0 HJABRO O[C@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000001568035 557272833 /nfs/dbraw/zinc/27/28/33/557272833.db2.gz OCVRKDMRZFCUEE-RHSMWYFYSA-N 1 0 404.354 4.962 40 0 in-man HJABRO CC[NH+](CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006869536 557727636 /nfs/dbraw/zinc/72/76/36/557727636.db2.gz KMBZTMNYNYAGGZ-UHFFFAOYSA-N 1 0 403.505 4.980 40 0 HJABRO CC(C)NC(=O)c1cc([C@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)nc2ccccc21 ZINC000019762839 558277421 /nfs/dbraw/zinc/27/74/21/558277421.db2.gz HFXIYMNIJCJWHQ-FQEVSTJZSA-N 1 0 424.548 4.911 40 0 HJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000019931980 558310498 /nfs/dbraw/zinc/31/04/98/558310498.db2.gz JBNBTTDQVAZZLP-INIZCTEOSA-N 1 0 403.419 4.997 40 0 HJABRO CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000020106868 558333740 /nfs/dbraw/zinc/33/37/40/558333740.db2.gz DDBZKAQAZOEGFK-IBGZPJMESA-N 1 0 407.558 4.701 40 0 HJABRO OC1(Cn2cccc3cc(C(F)(F)F)nc2-3)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000012158771 558341197 /nfs/dbraw/zinc/34/11/97/558341197.db2.gz STGMOXKOPGJLHV-UHFFFAOYSA-N 1 0 423.866 4.687 40 0 HJABRO Cc1noc(C)c1C(=O)NC1CC[NH+](C[C@H](c2ccccc2)C2CCCCC2)CC1 ZINC000012188804 558347425 /nfs/dbraw/zinc/34/74/25/558347425.db2.gz STUVSDTVCCQCTD-HSZRJFAPSA-N 1 0 409.574 4.850 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)cc1 ZINC000039753663 558687391 /nfs/dbraw/zinc/68/73/91/558687391.db2.gz CHSXRVRMOKOAFG-UHFFFAOYSA-N 1 0 405.311 4.747 40 0 HJABRO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000030852430 558740469 /nfs/dbraw/zinc/74/04/69/558740469.db2.gz YDUHZLNRXHKYBT-IBGZPJMESA-N 1 0 400.522 4.745 40 0 HJABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 ZINC000030871770 558743529 /nfs/dbraw/zinc/74/35/29/558743529.db2.gz FNRDRWJYHHWXPD-SZPZYZBQSA-N 1 0 419.613 4.737 40 0 HJABRO COC(=O)c1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1Cl ZINC000030938940 558745169 /nfs/dbraw/zinc/74/51/69/558745169.db2.gz PTFUYECESIJHAI-HNNXBMFYSA-N 1 0 400.906 4.611 40 0 HJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3cccc(C)c3)c(OC)c2)cc1OC ZINC000016349333 558787562 /nfs/dbraw/zinc/78/75/62/558787562.db2.gz URGQGBFHFHSXOW-UHFFFAOYSA-N 1 0 421.537 4.932 40 0 HJABRO COc1ccc2nc(CN(Cc3ccccn3)C3CC(C)(C)[NH2+]C(C)(C)C3)ccc2c1 ZINC000036740505 558801569 /nfs/dbraw/zinc/80/15/69/558801569.db2.gz IHEABITXUMYJLY-UHFFFAOYSA-N 1 0 418.585 4.950 40 0 HJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)C1 ZINC000038771354 558815134 /nfs/dbraw/zinc/81/51/34/558815134.db2.gz GSIIWJQYTMALEW-FQEVSTJZSA-N 1 0 419.569 4.797 40 0 HJABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)on1 ZINC000019120766 558843041 /nfs/dbraw/zinc/84/30/41/558843041.db2.gz JQFMAJPPJDUKPS-AWEZNQCLSA-N 1 0 408.449 4.900 40 0 HJABRO Cc1cc(-c2cnc(NC(C)C)nc2C2CC[NH+](Cc3ccccc3F)CC2)on1 ZINC000019123236 558844062 /nfs/dbraw/zinc/84/40/62/558844062.db2.gz IRHVTVGPOQCKFG-UHFFFAOYSA-N 1 0 409.509 4.779 40 0 HJABRO CC(=O)N1CCC[C@@H]([NH2+]Cc2cc3ccccc3nc2N(C)C)[C@@H]1c1ccc(C)s1 ZINC000019217325 558850668 /nfs/dbraw/zinc/85/06/68/558850668.db2.gz HVBCAAYXRDLQBG-FYYLOGMGSA-N 1 0 422.598 4.513 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019236841 558856078 /nfs/dbraw/zinc/85/60/78/558856078.db2.gz VCDXCLFDGWAWMW-OFVILXPXSA-N 1 0 417.528 4.912 40 0 HJABRO COc1ccc(C(C)(C)C)cc1C[NH+]1CCC(c2noc(-c3cnc(C)cn3)n2)CC1 ZINC000019239041 558857783 /nfs/dbraw/zinc/85/77/83/558857783.db2.gz BRRDZOLWIHGTCD-UHFFFAOYSA-N 1 0 421.545 4.521 40 0 HJABRO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019293418 558865152 /nfs/dbraw/zinc/86/51/52/558865152.db2.gz IQMCPJDUWAOXCQ-ACRUOGEOSA-N 1 0 400.975 4.628 40 0 HJABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1)c1cccc(F)c1 ZINC000019348871 558874586 /nfs/dbraw/zinc/87/45/86/558874586.db2.gz DANQPOBSUIBBIM-DEOSSOPVSA-N 1 0 421.491 4.743 40 0 HJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019400635 558883179 /nfs/dbraw/zinc/88/31/79/558883179.db2.gz GVMOOXRARZPCAJ-PXDATVDWSA-N 1 0 409.549 4.871 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000019400641 558883208 /nfs/dbraw/zinc/88/32/08/558883208.db2.gz OTUMIUCTZRIJTC-HYBUGGRVSA-N 1 0 421.491 4.743 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CCCC1 ZINC000019400688 558883383 /nfs/dbraw/zinc/88/33/83/558883383.db2.gz PGZHCWHVWAKBRQ-WMZHIEFXSA-N 1 0 413.512 4.620 40 0 HJABRO COc1cc2c(cc1OC)[C@@H]([C@H](C)c1ccccc1)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019459504 558893006 /nfs/dbraw/zinc/89/30/06/558893006.db2.gz OJQFZPDNOZSLNT-QVJSAIJNSA-N 1 0 404.510 4.839 40 0 HJABRO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4ccncc4C)C3)cc2N1 ZINC000019500876 558898727 /nfs/dbraw/zinc/89/87/27/558898727.db2.gz RWCYJNURQPBREZ-LMMKCTJWSA-N 1 0 407.484 4.664 40 0 HJABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 ZINC000019554979 558917917 /nfs/dbraw/zinc/91/79/17/558917917.db2.gz QLCGPQOOOVIBTM-QHCPKHFHSA-N 1 0 421.566 4.535 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000072330406 558934536 /nfs/dbraw/zinc/93/45/36/558934536.db2.gz LUQCUPUKHROZKV-GCJKJVERSA-N 1 0 409.530 4.666 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CCCC1 ZINC000072330398 558934572 /nfs/dbraw/zinc/93/45/72/558934572.db2.gz PGZHCWHVWAKBRQ-XXBNENTESA-N 1 0 413.512 4.620 40 0 HJABRO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH+](Cc4cccnc4)CC3)c12 ZINC000072336033 558937148 /nfs/dbraw/zinc/93/71/48/558937148.db2.gz XZMVASGSDZFMSH-UHFFFAOYSA-N 1 0 405.546 4.602 40 0 HJABRO Cn1ccnc1C[N@@H+]1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350009 558946938 /nfs/dbraw/zinc/94/69/38/558946938.db2.gz GQQNKFGUTANESO-QGZVFWFLSA-N 1 0 400.448 4.881 40 0 HJABRO Cc1ccccc1OCC[N@H+]1CC[C@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000072352318 558948615 /nfs/dbraw/zinc/94/86/15/558948615.db2.gz IJBLUPGTLKHKGL-SFHVURJKSA-N 1 0 408.567 4.780 40 0 HJABRO COc1cc2c(cc1CN1CCC[C@H]1c1cc(Nc3cnccn3)cc(C)[nH+]1)CCC2 ZINC000072372634 558960393 /nfs/dbraw/zinc/96/03/93/558960393.db2.gz FWHNUIHPXDVLFJ-QHCPKHFHSA-N 1 0 415.541 4.758 40 0 HJABRO Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019694312 558962789 /nfs/dbraw/zinc/96/27/89/558962789.db2.gz RAEJGAAWBANBCX-OAQYLSRUSA-N 1 0 424.980 4.632 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)c1C ZINC000072374959 558963269 /nfs/dbraw/zinc/96/32/69/558963269.db2.gz JNLSJIFELVHCRY-FQEVSTJZSA-N 1 0 404.562 4.741 40 0 HJABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)[nH+]1 ZINC000072375010 558963434 /nfs/dbraw/zinc/96/34/34/558963434.db2.gz WHOBCLKMHDAZDB-FQEVSTJZSA-N 1 0 422.573 4.628 40 0 HJABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695979 558964271 /nfs/dbraw/zinc/96/42/71/558964271.db2.gz DVBCTQCXUJULHE-HSZRJFAPSA-N 1 0 418.585 4.777 40 0 HJABRO O=C(Cc1ccsc1)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393388 558972673 /nfs/dbraw/zinc/97/26/73/558972673.db2.gz VAZVBXLTBLWMQG-UHFFFAOYSA-N 1 0 402.991 4.647 40 0 HJABRO CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@@H+](C)C[C@H](C)c2ccccc2)C1 ZINC000072395274 558974024 /nfs/dbraw/zinc/97/40/24/558974024.db2.gz PKBNUEFQKBVAND-GHTZIAJQSA-N 1 0 404.558 4.524 40 0 HJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072399249 558976893 /nfs/dbraw/zinc/97/68/93/558976893.db2.gz NBYORGZCXSFJBM-VWLOTQADSA-N 1 0 409.549 4.871 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053090 559092899 /nfs/dbraw/zinc/09/28/99/559092899.db2.gz DIUZCCHLTVDQGY-FQEVSTJZSA-N 1 0 410.583 4.565 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)s1 ZINC000096053098 559092972 /nfs/dbraw/zinc/09/29/72/559092972.db2.gz SMWIRVZIZYJDQT-HXUWFJFHSA-N 1 0 424.610 4.874 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)c2ccccc2O3)o1 ZINC000096053215 559093101 /nfs/dbraw/zinc/09/31/01/559093101.db2.gz OEVXYKDVDJQVCP-FQEVSTJZSA-N 1 0 408.542 4.501 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053378 559093280 /nfs/dbraw/zinc/09/32/80/559093280.db2.gz YEEIVZRHFZXWKY-SFHVURJKSA-N 1 0 410.583 4.708 40 0 HJABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053519 559093682 /nfs/dbraw/zinc/09/36/82/559093682.db2.gz ITIFHBASLHSISH-NRFANRHFSA-N 1 0 424.560 4.889 40 0 HJABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccccc2F)C1 ZINC000096071328 559094396 /nfs/dbraw/zinc/09/43/96/559094396.db2.gz MNSAMNRYRMNDDJ-HSZRJFAPSA-N 1 0 400.925 4.679 40 0 HJABRO O=C(Cc1ccc(Cl)cc1)N1CCC2(C[NH+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000096202437 559101182 /nfs/dbraw/zinc/10/11/82/559101182.db2.gz NHQMAQLMEPGBGC-UHFFFAOYSA-N 1 0 422.878 4.636 40 0 HJABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@@H+]2CCCc2ccccc2)C1 ZINC000096214558 559101753 /nfs/dbraw/zinc/10/17/53/559101753.db2.gz UMKXCOGKKPVWFP-RUZDIDTESA-N 1 0 410.989 4.972 40 0 HJABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 ZINC000072359718 559186224 /nfs/dbraw/zinc/18/62/24/559186224.db2.gz TWLKATWOGCRISI-JOCHJYFZSA-N 1 0 400.526 4.790 40 0 HJABRO C[C@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(CO)[C@@H]12 ZINC000118936395 559206620 /nfs/dbraw/zinc/20/66/20/559206620.db2.gz NMFWDNZLNHRNAT-YVOQUZMQSA-N 1 0 413.646 4.627 40 0 HJABRO CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CC[NH+](Cc2cccnc2)CC1 ZINC000257316449 559283014 /nfs/dbraw/zinc/28/30/14/559283014.db2.gz VFQBTVSWNDXKQT-UHFFFAOYSA-N 1 0 413.565 4.662 40 0 HJABRO OCc1ccccc1C[N@H+](Cc1ccccc1)Cc1cccc(OC[C@H]2CCCO2)c1 ZINC000257339334 559283485 /nfs/dbraw/zinc/28/34/85/559283485.db2.gz ZBHAIMAPXREVAP-HHHXNRCGSA-N 1 0 417.549 4.939 40 0 HJABRO CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000257245384 559284471 /nfs/dbraw/zinc/28/44/71/559284471.db2.gz IPFPQSOXDUBRIM-UHFFFAOYSA-N 1 0 413.565 4.710 40 0 HJABRO CC[NH+](CC)CCNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn21 ZINC000001341379 560575670 /nfs/dbraw/zinc/57/56/70/560575670.db2.gz PYGGADWIIPTAIC-UHFFFAOYSA-N 1 0 403.505 4.956 40 0 HJABRO C[C@]12CC[C@H]3c4ccc(OC(=O)CC[NH+]5CCCCC5)cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000004028098 560597272 /nfs/dbraw/zinc/59/72/72/560597272.db2.gz KBZHXUQCKRKJLU-HZLPDVBGSA-N 1 0 409.570 4.893 40 0 HJABRO O=C(C[NH+]1CCC(n2cnc3ccccc32)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000004858269 560612147 /nfs/dbraw/zinc/61/21/47/560612147.db2.gz RCEPZOGSNMSVQF-UHFFFAOYSA-N 1 0 403.313 4.619 40 0 HJABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc(I)c1 ZINC000017092095 560866825 /nfs/dbraw/zinc/86/68/25/560866825.db2.gz UFEGNUBPYLUVNL-UHFFFAOYSA-N 1 0 420.294 4.529 40 0 HJABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)CC[NH+]5CCCC5)CC[C@@]43C)[C@@H]1CCC2=O ZINC000118920404 560869548 /nfs/dbraw/zinc/86/95/48/560869548.db2.gz HKTXNASFTOEERZ-VZDBEYJMSA-N 1 0 413.602 4.916 40 0 HJABRO CC[NH+](CC)CCNCc1cc(Br)ccc1OCc1ccccc1F ZINC000022075580 568473920 /nfs/dbraw/zinc/47/39/20/568473920.db2.gz RDBCEWKSCQWTRN-UHFFFAOYSA-N 1 0 409.343 4.599 40 0 HJABRO C[C@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 ZINC000057776098 568497548 /nfs/dbraw/zinc/49/75/48/568497548.db2.gz RYRHRYSOOYIWDJ-SFHVURJKSA-N 1 0 411.977 4.785 40 0 HJABRO S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1C1CCCCC1 ZINC000223086483 568537051 /nfs/dbraw/zinc/53/70/51/568537051.db2.gz FPODIQQJFLFBDS-VXKWHMMOSA-N 1 0 403.555 4.573 40 0 HJABRO O=C(NCCOc1cccc2ccccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223569240 568551910 /nfs/dbraw/zinc/55/19/10/568551910.db2.gz GMGKOWBAJZEUGX-OAQYLSRUSA-N 1 0 422.956 4.900 40 0 HJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)C1 ZINC000223618916 568553529 /nfs/dbraw/zinc/55/35/29/568553529.db2.gz PYERJSVMLWECIU-FQEVSTJZSA-N 1 0 402.538 4.881 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2ccccc2C(C)(C)C)CC1 ZINC000223716952 568557161 /nfs/dbraw/zinc/55/71/61/568557161.db2.gz LOMGUGZSHHMGIC-UHFFFAOYSA-N 1 0 408.586 4.700 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccc(C(C)(C)C)cc3)CC2)c1 ZINC000224529672 568583722 /nfs/dbraw/zinc/58/37/22/568583722.db2.gz LZBTVZHNXFBOEE-UHFFFAOYSA-N 1 0 408.586 4.700 40 0 HJABRO O=C(CSCc1c(F)cccc1Cl)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224592585 568586939 /nfs/dbraw/zinc/58/69/39/568586939.db2.gz KIOLWTSSRNERRC-UHFFFAOYSA-N 1 0 406.954 4.625 40 0 HJABRO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224636519 568589804 /nfs/dbraw/zinc/58/98/04/568589804.db2.gz GMXRNHMQYDJQRT-QFIPXVFZSA-N 1 0 400.950 4.718 40 0 HJABRO Cc1cc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc(C)c1Cl ZINC000224778946 568596627 /nfs/dbraw/zinc/59/66/27/568596627.db2.gz UHODWQUWAYLZDG-GOSISDBHSA-N 1 0 400.950 4.636 40 0 HJABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788101 568596833 /nfs/dbraw/zinc/59/68/33/568596833.db2.gz UWOUWKSFDXFRNL-RUZDIDTESA-N 1 0 402.538 4.909 40 0 HJABRO O=C(CCCOc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224827843 568598893 /nfs/dbraw/zinc/59/88/93/568598893.db2.gz ARAWOMCZMDFSAY-UHFFFAOYSA-N 1 0 400.950 4.801 40 0 HJABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224832093 568599112 /nfs/dbraw/zinc/59/91/12/568599112.db2.gz YGAOENBGKKUDBP-HXUWFJFHSA-N 1 0 402.538 4.909 40 0 HJABRO O=C(Nc1nnc(-c2ccccc2)s1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225194887 568621814 /nfs/dbraw/zinc/62/18/14/568621814.db2.gz OWTVLWBCEZFDGX-KRWDZBQOSA-N 1 0 412.946 4.709 40 0 HJABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1 ZINC000225615656 568657162 /nfs/dbraw/zinc/65/71/62/568657162.db2.gz OZFHKIJNHJACKH-UHFFFAOYSA-N 1 0 404.595 4.967 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCCC1 ZINC000225654863 568660549 /nfs/dbraw/zinc/66/05/49/568660549.db2.gz HRAXQZMRMFMLKH-WOJBJXKFSA-N 1 0 402.579 4.721 40 0 HJABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225672233 568662696 /nfs/dbraw/zinc/66/26/96/568662696.db2.gz BWGUMYLBEUQVIQ-YDIMBITNSA-N 1 0 402.579 4.577 40 0 HJABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000225672262 568662745 /nfs/dbraw/zinc/66/27/45/568662745.db2.gz BWGUMYLBEUQVIQ-GLDPYIMESA-N 1 0 402.579 4.577 40 0 HJABRO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901040 568684550 /nfs/dbraw/zinc/68/45/50/568684550.db2.gz ABWVONLBYQGXMU-SJLPKXTDSA-N 1 0 413.359 4.639 40 0 HJABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)c1ccc2ccccc2n1)[C@H]3Cc1ccccc1 ZINC000257208585 568778653 /nfs/dbraw/zinc/77/86/53/568778653.db2.gz BMTKYRACDWHTFS-WOKGGPCBSA-N 1 0 411.549 4.591 40 0 HJABRO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257246206 568789232 /nfs/dbraw/zinc/78/92/32/568789232.db2.gz ITBRWKUJMFYETQ-LJQANCHMSA-N 1 0 415.541 4.735 40 0 HJABRO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](CC2CC2)CC1 ZINC000257259142 568792701 /nfs/dbraw/zinc/79/27/01/568792701.db2.gz KXBFCCSQIQPKFI-UHFFFAOYSA-N 1 0 406.570 4.606 40 0 HJABRO O=C(Nc1cc(CCC2CC[NH+](Cc3ccccn3)CC2)ccn1)c1ccc(F)cc1 ZINC000257270022 568795512 /nfs/dbraw/zinc/79/55/12/568795512.db2.gz MSMLXSDSBXZAOZ-UHFFFAOYSA-N 1 0 418.516 4.713 40 0 HJABRO Cc1cccnc1Nc1cncc(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)n1 ZINC000257342791 568817107 /nfs/dbraw/zinc/81/71/07/568817107.db2.gz ZQECRNJBZMVERR-UHFFFAOYSA-N 1 0 410.525 4.851 40 0 HJABRO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000524731861 569291528 /nfs/dbraw/zinc/29/15/28/569291528.db2.gz MUMOMJJBRFKSKD-QOKUDNMUSA-N 1 0 409.961 4.857 40 0 HJABRO COC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1C ZINC000008330653 569340037 /nfs/dbraw/zinc/34/00/37/569340037.db2.gz QASGEQQIYOCEKA-UHFFFAOYSA-N 1 0 414.505 4.592 40 0 HJABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000009063249 569342320 /nfs/dbraw/zinc/34/23/20/569342320.db2.gz VDEBUXOHJGDYJC-UHFFFAOYSA-N 1 0 421.324 4.631 40 0 HJABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019450856 569345485 /nfs/dbraw/zinc/34/54/85/569345485.db2.gz YQXYCXVLJBZQTO-ZJSXRUAMSA-N 1 0 423.601 4.984 40 0 HJABRO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000019738741 569348576 /nfs/dbraw/zinc/34/85/76/569348576.db2.gz REARGFREOMOAEP-HSZRJFAPSA-N 1 0 420.594 4.932 40 0 HJABRO Cc1cccc2c(C(=O)N[C@H](C)CC[NH+]3CCCCCC3)cc(-c3ccccn3)nc12 ZINC000141551921 569354810 /nfs/dbraw/zinc/35/48/10/569354810.db2.gz HHQMVRKQUVHWBE-HXUWFJFHSA-N 1 0 416.569 4.990 40 0 HJABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+]4CCOCC4)C=C3C)o2)cc1 ZINC000096617449 291274242 /nfs/dbraw/zinc/27/42/42/291274242.db2.gz DZPWFOXQGMGBGX-VABKMULXSA-N 1 0 409.574 4.774 40 0 biogenic,in-vitro HJABRO CCOc1ccc(CCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OC ZINC000044946973 520946795 /nfs/dbraw/zinc/94/67/95/520946795.db2.gz LCOBVZWFISCMSO-UHFFFAOYSA-N 1 0 424.585 4.688 40 0 HJABRO CCOC(=O)c1cc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)ccc1Cl ZINC000044939634 521438453 /nfs/dbraw/zinc/43/84/53/521438453.db2.gz FFKBJHITHXOSFG-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CCOC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1Cl ZINC000044939665 521438585 /nfs/dbraw/zinc/43/85/85/521438585.db2.gz RYVGTIYDSOILSC-UHFFFAOYSA-N 1 0 418.896 4.507 40 0 HJABRO CCOC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)ccc1Cl ZINC000044939662 521438869 /nfs/dbraw/zinc/43/88/69/521438869.db2.gz XTIXDBFFDKJWOV-UHFFFAOYSA-N 1 0 418.896 4.507 40 0 HJABRO CCOC(=O)c1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ccc1Cl ZINC000044939615 521440497 /nfs/dbraw/zinc/44/04/97/521440497.db2.gz SLENRXJESSPNFU-INIZCTEOSA-N 1 0 418.896 4.507 40 0 HJABRO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000044911876 521472339 /nfs/dbraw/zinc/47/23/39/521472339.db2.gz XKYAXQHCTUNNBR-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 ZINC000044855225 524436796 /nfs/dbraw/zinc/43/67/96/524436796.db2.gz AOPDXRLFFAOOBM-HSZRJFAPSA-N 1 0 406.570 4.934 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 ZINC000044855376 524436899 /nfs/dbraw/zinc/43/68/99/524436899.db2.gz KFLKSMXWDQCILN-QHCPKHFHSA-N 1 0 406.570 4.934 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000044855660 525553884 /nfs/dbraw/zinc/55/38/84/525553884.db2.gz SLSYJSQDVDFIKP-QHCPKHFHSA-N 1 0 422.569 4.634 40 0 HJABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044855362 526173758 /nfs/dbraw/zinc/17/37/58/526173758.db2.gz DXYWFGYPDCIKGT-DENIHFKCSA-N 1 0 410.533 4.765 40 0 HJABRO C[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000019586521 536481816 /nfs/dbraw/zinc/48/18/16/536481816.db2.gz IFWGEOSMPBRJOL-RUZDIDTESA-N 1 0 418.512 4.584 40 0 HJABRO O[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000001568036 557272813 /nfs/dbraw/zinc/27/28/13/557272813.db2.gz OCVRKDMRZFCUEE-YOEHRIQHSA-N 1 0 404.354 4.962 40 0 in-man HJABRO C[NH+](C)CCCNc1nc(Cl)nc2nc(-c3ccccc3)c(-c3ccccc3)nc21 ZINC000001614524 557276289 /nfs/dbraw/zinc/27/62/89/557276289.db2.gz YHOAWPBBANNSRC-UHFFFAOYSA-N 1 0 418.932 4.771 40 0 HJABRO COc1ccccc1C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 ZINC000035289826 557673002 /nfs/dbraw/zinc/67/30/02/557673002.db2.gz KWPSSTUSOWDMBM-JCONFUPYSA-N 1 0 422.613 4.913 40 0 HJABRO O=C(NCCSCc1c(F)cccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039750194 558687026 /nfs/dbraw/zinc/68/70/26/558687026.db2.gz RKMDBDAMAVFFDZ-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO COc1cc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)c(OC)cc1Cl ZINC000039755362 558687430 /nfs/dbraw/zinc/68/74/30/558687430.db2.gz LDGUZIMELVPNIS-UHFFFAOYSA-N 1 0 402.922 4.516 40 0 HJABRO COc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000036612727 558728066 /nfs/dbraw/zinc/72/80/66/558728066.db2.gz UAHUKHMEMWKPIA-OAHLLOKOSA-N 1 0 404.938 4.890 40 0 HJABRO CCOc1cc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC ZINC000036740556 558801925 /nfs/dbraw/zinc/80/19/25/558801925.db2.gz BQNIZAJLTIRMBA-UHFFFAOYSA-N 1 0 411.590 4.800 40 0 HJABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000019082069 558840021 /nfs/dbraw/zinc/84/00/21/558840021.db2.gz PAWVZUYKVPMTOV-DEOSSOPVSA-N 1 0 416.569 4.745 40 0 HJABRO Cc1cc(-c2snnc2[C@H]2CCC[N@H+](Cc3ccccc3C(F)(F)F)C2)on1 ZINC000019120794 558843079 /nfs/dbraw/zinc/84/30/79/558843079.db2.gz AHGFYMMTQYXKFE-AWEZNQCLSA-N 1 0 408.449 4.900 40 0 HJABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019219228 558851323 /nfs/dbraw/zinc/85/13/23/558851323.db2.gz BNUYXGDPPAFICD-PKTZIBPZSA-N 1 0 409.570 4.677 40 0 HJABRO Cc1cccc2c1[nH]c([C@@H]1CCCN(C(=O)[C@H](C)[NH+]3CCCC3)C1)c2-c1ccncc1 ZINC000019236512 558855587 /nfs/dbraw/zinc/85/55/87/558855587.db2.gz YFAWISKYCNSWKX-PZJWPPBQSA-N 1 0 416.569 4.729 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019236819 558855863 /nfs/dbraw/zinc/85/58/63/558855863.db2.gz CYNZVDQDPCZVBW-PXDATVDWSA-N 1 0 417.528 4.912 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019236824 558855901 /nfs/dbraw/zinc/85/59/01/558855901.db2.gz MHGQPPKWKXRZQY-BWKNWUBXSA-N 1 0 417.528 4.912 40 0 HJABRO Cc1cnccc1C[N@@H+]1CCC[C@@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019239513 558858080 /nfs/dbraw/zinc/85/80/80/558858080.db2.gz HQGVALUAZOPNKE-QRVBRYPASA-N 1 0 417.548 4.787 40 0 HJABRO O=C(Cn1cc(C[NH2+]C2(c3ccccc3F)CCCC2)c2ccccc21)NC1CC1 ZINC000019376117 558882333 /nfs/dbraw/zinc/88/23/33/558882333.db2.gz YTXKDURFJZBQIO-UHFFFAOYSA-N 1 0 405.517 4.618 40 0 HJABRO COc1ccc(C[N@H+](Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1cccn1 ZINC000057797092 558890451 /nfs/dbraw/zinc/89/04/51/558890451.db2.gz FCQAKQNNFASGGW-UHFFFAOYSA-N 1 0 412.537 4.846 40 0 HJABRO COc1cccc(-c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)cc2)c1 ZINC000019566638 558926313 /nfs/dbraw/zinc/92/63/13/558926313.db2.gz FJFCQFQKWNMMHL-VKSRLUHHSA-N 1 0 414.549 4.877 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000072330411 558934579 /nfs/dbraw/zinc/93/45/79/558934579.db2.gz KRJQTASYDODNQU-XXBNENTESA-N 1 0 421.566 4.535 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072330460 558934845 /nfs/dbraw/zinc/93/48/45/558934845.db2.gz RUFPBGWSYMMBBG-GJZUVCINSA-N 1 0 417.528 4.533 40 0 HJABRO CN(C)c1cc([C@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 ZINC000019584594 558938600 /nfs/dbraw/zinc/93/86/00/558938600.db2.gz BPEPDYVHJXPJJY-NRFANRHFSA-N 1 0 424.552 4.532 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000072341436 558939714 /nfs/dbraw/zinc/93/97/14/558939714.db2.gz JUNUIEZXUONSIU-CTNGQTDRSA-N 1 0 409.530 4.666 40 0 HJABRO CC(=O)NCc1cnc([C@H]2CCC[N@@H+]2CCCc2ccccc2)cc1C(F)(F)F ZINC000072356138 558952986 /nfs/dbraw/zinc/95/29/86/558952986.db2.gz BNDXCMNTFQPYKJ-OAQYLSRUSA-N 1 0 405.464 4.506 40 0 HJABRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000072361052 558955916 /nfs/dbraw/zinc/95/59/16/558955916.db2.gz VDQDNTOOLLNHAD-JOCHJYFZSA-N 1 0 417.528 4.969 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000019690308 558959565 /nfs/dbraw/zinc/95/95/65/558959565.db2.gz ZTJMPQXKZLCCCE-HXUWFJFHSA-N 1 0 414.475 4.804 40 0 HJABRO Cn1nccc1C[N@@H+]1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019690290 558959607 /nfs/dbraw/zinc/95/96/07/558959607.db2.gz VXRFISBFLUQLCQ-LJQANCHMSA-N 1 0 414.475 4.804 40 0 HJABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c(C)n1 ZINC000072372460 558959868 /nfs/dbraw/zinc/95/98/68/558959868.db2.gz XWVQNJFULJLGNT-RUZDIDTESA-N 1 0 404.558 4.851 40 0 HJABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000072373153 558960836 /nfs/dbraw/zinc/96/08/36/558960836.db2.gz NIGFCWPBZVFLLQ-OFNKIYASSA-N 1 0 409.574 4.738 40 0 HJABRO O[C@]1(c2ccc(Cl)cc2)CN(c2ccc(Br)cc2)C2=[N+]1CCCCC2 ZINC000022408044 558990395 /nfs/dbraw/zinc/99/03/95/558990395.db2.gz XQDBIZRRKGEYQS-FQEVSTJZSA-N 1 0 420.758 4.753 40 0 HJABRO Fc1ccc(F)c(C[NH+]2CCC3(CC(Nc4cc(C(F)(F)F)ncn4)C3)CC2)c1 ZINC000585104404 559026985 /nfs/dbraw/zinc/02/69/85/559026985.db2.gz ZSZHAWQBOMXBRI-UHFFFAOYSA-N 1 0 412.406 4.630 40 0 HJABRO Cc1nc(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)cs1 ZINC000096052758 559092368 /nfs/dbraw/zinc/09/23/68/559092368.db2.gz RZSFVWPAWOEZSZ-GOSISDBHSA-N 1 0 409.599 4.531 40 0 HJABRO COc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)cc1 ZINC000096053323 559093155 /nfs/dbraw/zinc/09/31/55/559093155.db2.gz ONUQZAZVBXDEQP-OAQYLSRUSA-N 1 0 422.569 4.511 40 0 HJABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053518 559093743 /nfs/dbraw/zinc/09/37/43/559093743.db2.gz ITIFHBASLHSISH-OAQYLSRUSA-N 1 0 424.560 4.889 40 0 HJABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc(CNC(C)=O)cn1 ZINC000585261838 559109542 /nfs/dbraw/zinc/10/95/42/559109542.db2.gz VGAVYXJTUKBZBU-RUZDIDTESA-N 1 0 415.537 4.730 40 0 HJABRO O[C@@]1(COc2ccc(Cl)cc2)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585282010 559119785 /nfs/dbraw/zinc/11/97/85/559119785.db2.gz FMJNWMLOUWFYQV-KIFXHHALSA-N 1 0 415.961 4.509 40 0 HJABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CC[NH3+] ZINC000118926653 559206127 /nfs/dbraw/zinc/20/61/27/559206127.db2.gz RQLXCBXLAWPNRI-XRAHEMMWSA-N 1 0 417.634 4.941 40 0 HJABRO CC1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069964 559272817 /nfs/dbraw/zinc/27/28/17/559272817.db2.gz NZDKJILBTJCEBK-QFIPXVFZSA-N 1 0 405.623 4.889 40 0 HJABRO Cc1cc(C)cc(-c2cccc(CC3(C(=O)N[C@H]4CCC[N@@H+](C)C4)CCOCC3)c2)c1 ZINC000257202996 559282477 /nfs/dbraw/zinc/28/24/77/559282477.db2.gz AOESKDGMSPQFTI-VWLOTQADSA-N 1 0 420.597 4.520 40 0 HJABRO CC(C)(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000514289881 560031417 /nfs/dbraw/zinc/03/14/17/560031417.db2.gz PQOJWYDJWSGHQJ-SXWKCWPCSA-N 1 0 418.578 4.620 40 0 biogenic,in-vitro HJABRO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCN(C)CC4)C=C3C)nc2c1 ZINC000072320960 560076944 /nfs/dbraw/zinc/07/69/44/560076944.db2.gz AMLHSQOAJHFNAH-JTAQYXEDSA-N 1 0 424.633 4.652 40 0 biogenic,in-vitro HJABRO CC(C)[C@H](c1nnnn1CCc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004860145 560613070 /nfs/dbraw/zinc/61/30/70/560613070.db2.gz SDEFVGIGMBCMRP-XMMPIXPASA-N 1 0 403.574 4.568 40 0 HJABRO COc1cc2cc(CNc3ccc([NH+]4C[C@H](C)C[C@@H](C)C4)cc3)c(=O)[nH]c2cc1OC ZINC000013563113 560816173 /nfs/dbraw/zinc/81/61/73/560816173.db2.gz DZJRJALLTABBSH-IAGOWNOFSA-N 1 0 421.541 4.640 40 0 HJABRO COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000005219358 568442794 /nfs/dbraw/zinc/44/27/94/568442794.db2.gz MKTCJRDZURCFKV-ZSQFBXSQSA-N 1 0 422.569 4.619 40 0 HJABRO C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219052250 568486415 /nfs/dbraw/zinc/48/64/15/568486415.db2.gz JQQQYRPTBIJMJL-SFHVURJKSA-N 1 0 404.510 4.719 40 0 HJABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000219237006 568488268 /nfs/dbraw/zinc/48/82/68/568488268.db2.gz GADKQQAMNSOXHG-UHFFFAOYSA-N 1 0 424.570 4.692 40 0 HJABRO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c2ccccc12 ZINC000222624995 568521202 /nfs/dbraw/zinc/52/12/02/568521202.db2.gz SMZXMLUWADLLSN-UHFFFAOYSA-N 1 0 410.901 4.634 40 0 HJABRO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000223036444 568535162 /nfs/dbraw/zinc/53/51/62/568535162.db2.gz UXOOPVZRGCHCFE-QFIPXVFZSA-N 1 0 416.949 4.918 40 0 HJABRO O=C(NCCc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223414369 568547963 /nfs/dbraw/zinc/54/79/63/568547963.db2.gz LLXZOQUTYMSECZ-UHFFFAOYSA-N 1 0 404.941 4.871 40 0 HJABRO O=C(NCCOc1cccc2ccccc21)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223569308 568551943 /nfs/dbraw/zinc/55/19/43/568551943.db2.gz GMGKOWBAJZEUGX-NRFANRHFSA-N 1 0 422.956 4.900 40 0 HJABRO COc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OCc1ccccc1 ZINC000019900064 568585391 /nfs/dbraw/zinc/58/53/91/568585391.db2.gz ZZVRTZNHXPQCIY-VJTSUQJLSA-N 1 0 418.581 4.604 40 0 HJABRO O=C(CSCc1cccc(Cl)c1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224806698 568597927 /nfs/dbraw/zinc/59/79/27/568597927.db2.gz QNZWIUXTQRANOB-UHFFFAOYSA-N 1 0 402.991 4.876 40 0 HJABRO O=C(Nc1ccc(OCCC[NH+]2CCCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000225561656 568651491 /nfs/dbraw/zinc/65/14/91/568651491.db2.gz HREHBWLXWCTHED-UHFFFAOYSA-N 1 0 422.569 4.628 40 0 HJABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225636828 568659080 /nfs/dbraw/zinc/65/90/80/568659080.db2.gz AQBCKUTUANEWKK-RDPSFJRHSA-N 1 0 402.579 4.865 40 0 HJABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC(C)CC1 ZINC000225640856 568659311 /nfs/dbraw/zinc/65/93/11/568659311.db2.gz NZDVDFYWVVDSBS-UHFFFAOYSA-N 1 0 402.579 4.721 40 0 HJABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225672845 568662725 /nfs/dbraw/zinc/66/27/25/568662725.db2.gz LNRVPQDYNMRIBY-NTKDMRAZSA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225688972 568664555 /nfs/dbraw/zinc/66/45/55/568664555.db2.gz XEQZWZBCQYAAAV-YOSAUDMPSA-N 1 0 404.595 4.823 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCC1 ZINC000225709578 568666503 /nfs/dbraw/zinc/66/65/03/568666503.db2.gz YXSZOVVFSRZCMZ-HXUWFJFHSA-N 1 0 402.579 4.865 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225715113 568667050 /nfs/dbraw/zinc/66/70/50/568667050.db2.gz GMQQFSBSJNCBED-RDPSFJRHSA-N 1 0 402.579 4.721 40 0 HJABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000257214137 568780269 /nfs/dbraw/zinc/78/02/69/568780269.db2.gz CKSANHZVASLLBH-QGZVFWFLSA-N 1 0 401.938 4.770 40 0 HJABRO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)[nH]n1 ZINC000257248600 568789989 /nfs/dbraw/zinc/78/99/89/568789989.db2.gz JEJHSKXBPKFBPZ-TYUWDEHNSA-N 1 0 420.601 4.622 40 0 HJABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257341748 568816555 /nfs/dbraw/zinc/81/65/55/568816555.db2.gz ZLUZWCZNQIWZFY-LJQANCHMSA-N 1 0 415.965 4.501 40 0 HJABRO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)n1 ZINC000257342355 568816822 /nfs/dbraw/zinc/81/68/22/568816822.db2.gz ZOGOOPKBLRYKPU-GOSISDBHSA-N 1 0 422.554 4.684 40 0 HJABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009063344 569342432 /nfs/dbraw/zinc/34/24/32/569342432.db2.gz NJTREBHAOCQEKN-UHFFFAOYSA-N 1 0 421.324 4.631 40 0 HJABRO COc1cc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c(OC)cc1Cl ZINC000009063357 569342474 /nfs/dbraw/zinc/34/24/74/569342474.db2.gz HZDJCJWUTYXSDW-UHFFFAOYSA-N 1 0 423.340 4.861 40 0 HJABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000019450858 569345488 /nfs/dbraw/zinc/34/54/88/569345488.db2.gz YQXYCXVLJBZQTO-XUZZJYLKSA-N 1 0 423.601 4.984 40 0 HJABRO NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000019700334 569347180 /nfs/dbraw/zinc/34/71/80/569347180.db2.gz KAYLYNDAPULZBT-UHFFFAOYSA-N 1 0 419.956 4.712 40 0 HJABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cnc(C)cn3)cc2)C1 ZINC000019711868 569348286 /nfs/dbraw/zinc/34/82/86/569348286.db2.gz WXBNIBASEJTEIM-MZYLBHOOSA-N 1 0 410.562 4.624 40 0 HJABRO Cc1nc([C@@]2(O)CCC[N@H+](CC3CC3)CC2)sc1CCOc1ccccc1Cl ZINC000019738679 569348543 /nfs/dbraw/zinc/34/85/43/569348543.db2.gz AXHNANPYVGKBRU-JOCHJYFZSA-N 1 0 421.006 4.810 40 0 HJABRO COc1ccc(NC(=O)c2cnc(C3CC[NH+](CC4CCCCC4)CC3)nc2C)cc1 ZINC000019763835 569348981 /nfs/dbraw/zinc/34/89/81/569348981.db2.gz RFBOYHZKFDEERK-UHFFFAOYSA-N 1 0 422.573 4.806 40 0 HJABRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@@H](C)C[NH2+]1 ZINC000070691659 569413403 /nfs/dbraw/zinc/41/34/03/569413403.db2.gz IRRHFODGOMSPEE-XAIUJEHFSA-N 1 0 415.662 4.921 40 0 biogenic HJABRO COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCOCC4)C=C3C)nc2c1 ZINC000077262146 291277799 /nfs/dbraw/zinc/27/77/99/291277799.db2.gz FYGAUIAPKRTUJC-IPJJNNNSSA-N 1 0 411.590 4.737 40 0 biogenic,in-vitro HJABRO CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044916455 519778952 /nfs/dbraw/zinc/77/89/52/519778952.db2.gz SLMZOWVSDVZZCP-QFIPXVFZSA-N 1 0 412.549 4.574 40 0 HJABRO CC(C)Oc1cccc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000044882684 519783097 /nfs/dbraw/zinc/78/30/97/519783097.db2.gz XNSOHZHCFGWQLW-UHFFFAOYSA-N 1 0 414.549 4.962 40 0 HJABRO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000044851587 520475503 /nfs/dbraw/zinc/47/55/03/520475503.db2.gz RGFVQGSUVBDVHL-UHFFFAOYSA-N 1 0 408.586 4.745 40 0 HJABRO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000044918377 520516796 /nfs/dbraw/zinc/51/67/96/520516796.db2.gz XEXFPYVLQIYAQY-OAQYLSRUSA-N 1 0 412.961 4.971 40 0 HJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856869 522532129 /nfs/dbraw/zinc/53/21/29/522532129.db2.gz RWBRMFMGDAOTME-QFIPXVFZSA-N 1 0 410.558 4.817 40 0 HJABRO Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044852977 525430106 /nfs/dbraw/zinc/43/01/06/525430106.db2.gz JGRIOVAOKKKOIR-OAQYLSRUSA-N 1 0 414.549 4.751 40 0 HJABRO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855211 526205737 /nfs/dbraw/zinc/20/57/37/526205737.db2.gz FEHJMIGOEQMILR-DENIHFKCSA-N 1 0 410.533 4.765 40 0 HJABRO C[N+]1=C(C=Cc2ccc(O)cc2I)C(C)(C)c2ccccc21 ZINC000004769196 557596142 /nfs/dbraw/zinc/59/61/42/557596142.db2.gz SYHOYOWLMCPXEV-UHFFFAOYSA-O 1 0 404.271 4.716 40 0 HJABRO Nc1ncnc2nc([C@@H]3CCC[N@H+](Cc4ccc(Cl)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743217 558263768 /nfs/dbraw/zinc/26/37/68/558263768.db2.gz OWKGSBIENCYALF-CYBMUJFWSA-N 1 0 421.854 4.659 40 0 HJABRO COc1cccc(CNC(=O)c2cnc([C@@H]3CCCC[N@@H+]3C3CCCCC3)nc2C)c1 ZINC000019754008 558273294 /nfs/dbraw/zinc/27/32/94/558273294.db2.gz IMLZWJFFYOEKKQ-QHCPKHFHSA-N 1 0 422.573 4.583 40 0 HJABRO Cn1cccc1C[NH+]1CCC2(C[C@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000012086197 558321619 /nfs/dbraw/zinc/32/16/19/558321619.db2.gz KKLXARNVRJOJDV-XMMPIXPASA-N 1 0 422.960 4.545 40 0 HJABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293617 558366820 /nfs/dbraw/zinc/36/68/20/558366820.db2.gz PDVZPDYYEXQMRW-RPWUZVMVSA-N 1 0 403.522 4.532 40 0 HJABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000012293640 558366984 /nfs/dbraw/zinc/36/69/84/558366984.db2.gz NPNNXCGYPNRXQH-VQTJNVASSA-N 1 0 422.352 4.686 40 0 HJABRO Cc1cc2c(cc1Cl)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329843 558384867 /nfs/dbraw/zinc/38/48/67/558384867.db2.gz LDSKHFAHKGVVLZ-VQTJNVASSA-N 1 0 422.352 4.686 40 0 HJABRO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039760203 558685331 /nfs/dbraw/zinc/68/53/31/558685331.db2.gz RVLJNLQMFRTIIY-UHFFFAOYSA-N 1 0 402.991 4.602 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC000039753794 558687231 /nfs/dbraw/zinc/68/72/31/558687231.db2.gz USGHPSSGBHWTAT-UHFFFAOYSA-N 1 0 408.586 4.743 40 0 HJABRO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039755529 558687524 /nfs/dbraw/zinc/68/75/24/558687524.db2.gz ZBVUAWBOTNGCPS-UHFFFAOYSA-N 1 0 407.739 4.953 40 0 HJABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)C1 ZINC000030754271 558736740 /nfs/dbraw/zinc/73/67/40/558736740.db2.gz DEWYIADKEMBQMB-HUUCEWRRSA-N 1 0 403.419 4.711 40 0 HJABRO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000030852423 558740443 /nfs/dbraw/zinc/74/04/43/558740443.db2.gz YDUHZLNRXHKYBT-LJQANCHMSA-N 1 0 400.522 4.745 40 0 HJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3C)c(OC)c2)cc1OC ZINC000016362780 558788124 /nfs/dbraw/zinc/78/81/24/558788124.db2.gz CJKRFUVKCVGXRH-UHFFFAOYSA-N 1 0 421.537 4.932 40 0 HJABRO O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038836878 558818081 /nfs/dbraw/zinc/81/80/81/558818081.db2.gz SRNSUDAEPCHPEO-QGZVFWFLSA-N 1 0 406.954 4.600 40 0 HJABRO Cc1cccc(CSCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000038851588 558818863 /nfs/dbraw/zinc/81/88/63/558818863.db2.gz MQGFDYITRAHEDE-OAQYLSRUSA-N 1 0 417.018 4.910 40 0 HJABRO CC(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000019020576 558837763 /nfs/dbraw/zinc/83/77/63/558837763.db2.gz OFTAUEYQPWSECK-SANMLTNESA-N 1 0 417.528 4.977 40 0 HJABRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000019081725 558839745 /nfs/dbraw/zinc/83/97/45/558839745.db2.gz NIGFCWPBZVFLLQ-NZQKXSOJSA-N 1 0 409.574 4.738 40 0 HJABRO COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CC[N@H+](Cc4cccs4)C[C@@H]32)c1 ZINC000019081660 558839751 /nfs/dbraw/zinc/83/97/51/558839751.db2.gz PIVCBYUEJJWUMR-YPAWHYETSA-N 1 0 412.599 4.619 40 0 HJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2nc3ccccc3n2Cc2ccccc2)on1 ZINC000019120600 558843024 /nfs/dbraw/zinc/84/30/24/558843024.db2.gz BJKAYJBFAVQRLI-RBBKRZOGSA-N 1 0 400.526 4.882 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019236866 558856133 /nfs/dbraw/zinc/85/61/33/558856133.db2.gz SLDJRGVDKUEZCK-VWLOTQADSA-N 1 0 417.528 4.912 40 0 HJABRO COc1cccc(-c2n[nH]cc2C[NH2+][C@@H](Cc2ccsc2)c2ncccc2C)c1 ZINC000019237654 558856863 /nfs/dbraw/zinc/85/68/63/558856863.db2.gz RZTYIBQOPANVHB-NRFANRHFSA-N 1 0 404.539 4.924 40 0 HJABRO Cc1ncc(C[N@H+]2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019287223 558860883 /nfs/dbraw/zinc/86/08/83/558860883.db2.gz MVKZBCHETYPALL-OAHLLOKOSA-N 1 0 419.451 4.843 40 0 HJABRO Fc1cccc(C[NH+]2CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC2)c1F ZINC000019292710 558864453 /nfs/dbraw/zinc/86/44/53/558864453.db2.gz JMVZARVVZMUOKJ-UHFFFAOYSA-N 1 0 421.495 4.771 40 0 HJABRO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349213 558874945 /nfs/dbraw/zinc/87/49/45/558874945.db2.gz YPKKYOIQCDURHM-ZJOUEHCJSA-N 1 0 400.975 4.628 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019370418 558878546 /nfs/dbraw/zinc/87/85/46/558878546.db2.gz CCRMUKBLCNZFCN-SANMLTNESA-N 1 0 417.528 4.533 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000019400469 558883072 /nfs/dbraw/zinc/88/30/72/558883072.db2.gz QOWLDWRIHCBQLS-XZDHIHRUSA-N 1 0 407.533 4.760 40 0 HJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019400832 558883341 /nfs/dbraw/zinc/88/33/41/558883341.db2.gz PSNMRRXQZKEDJM-VWLOTQADSA-N 1 0 409.549 4.871 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449568 558888000 /nfs/dbraw/zinc/88/80/00/558888000.db2.gz WXRSGCCTDRYSMQ-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4ccncc4C)C3)cc2N1 ZINC000019500877 558898735 /nfs/dbraw/zinc/89/87/35/558898735.db2.gz RWCYJNURQPBREZ-AOIWGVFYSA-N 1 0 407.484 4.664 40 0 HJABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000019522017 558903229 /nfs/dbraw/zinc/90/32/29/558903229.db2.gz XUTPVSYHSFFMKW-CQSZACIVSA-N 1 0 404.436 4.887 40 0 HJABRO COc1cc(C)c(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1C ZINC000019567270 558926678 /nfs/dbraw/zinc/92/66/78/558926678.db2.gz RCEHUROTKZUMJL-DEOSSOPVSA-N 1 0 423.601 4.823 40 0 HJABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000019568873 558927945 /nfs/dbraw/zinc/92/79/45/558927945.db2.gz PXKLTANHUDJYHZ-ZDUSSCGKSA-N 1 0 421.467 4.950 40 0 HJABRO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019568969 558928040 /nfs/dbraw/zinc/92/80/40/558928040.db2.gz NCCGPZKAXYQFCC-WMZHIEFXSA-N 1 0 421.566 4.535 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568895 558928045 /nfs/dbraw/zinc/92/80/45/558928045.db2.gz JUQSXCZCBFQKIE-OAHLLOKOSA-N 1 0 405.420 4.938 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cccs1 ZINC000072330404 558934508 /nfs/dbraw/zinc/93/45/08/558934508.db2.gz FICZDQUATVLFHZ-AVRDEDQJSA-N 1 0 409.530 4.666 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000072330407 558934554 /nfs/dbraw/zinc/93/45/54/558934554.db2.gz LUQCUPUKHROZKV-AVRDEDQJSA-N 1 0 409.530 4.666 40 0 HJABRO C[C@H](CC[NH+]1CCC(Cc2ncncc2C(=O)NC2CCCC2)CC1)c1ccccc1 ZINC000072352157 558948326 /nfs/dbraw/zinc/94/83/26/558948326.db2.gz POSIEXXACDQZOB-HXUWFJFHSA-N 1 0 420.601 4.597 40 0 HJABRO COc1cccc(CN2CC=CC[C@H](C3CC[NH+](CCc4ccccc4)CC3)C2=O)c1 ZINC000072371055 558957455 /nfs/dbraw/zinc/95/74/55/558957455.db2.gz FGBDFEIETZYPPX-AREMUKBSSA-N 1 0 418.581 4.555 40 0 HJABRO Cc1[nH]c2ccc(F)cc2c1C[N@@H+]1CCC[C@@H]1c1cc(-c2cnc(N)nc2)cc(C)n1 ZINC000019690966 558960462 /nfs/dbraw/zinc/96/04/62/558960462.db2.gz FZDWAVUWWJSURD-HSZRJFAPSA-N 1 0 416.504 4.695 40 0 HJABRO Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(Cl)c1 ZINC000019694311 558962717 /nfs/dbraw/zinc/96/27/17/558962717.db2.gz RAEJGAAWBANBCX-NRFANRHFSA-N 1 0 424.980 4.632 40 0 HJABRO COc1ccc(-c2cccc(C[N@@H+]3CCC[C@H]3c3ccc(C(N)=O)c(C)n3)c2)cc1 ZINC000019711145 558973495 /nfs/dbraw/zinc/97/34/95/558973495.db2.gz AQPJOVNHMACDRM-DEOSSOPVSA-N 1 0 401.510 4.502 40 0 HJABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000072398592 558975942 /nfs/dbraw/zinc/97/59/42/558975942.db2.gz DNRLMGSKDNJJNY-URXFXBBRSA-N 1 0 423.601 4.984 40 0 HJABRO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100699 559024246 /nfs/dbraw/zinc/02/42/46/559024246.db2.gz UAELQSIFZORRLI-XMMPIXPASA-N 1 0 416.487 4.694 40 0 HJABRO COc1ccc(C[NH+]2CCC3(CC2)c2ccccc2N(Cc2ccccc2)C3=O)cc1 ZINC000096052533 559092309 /nfs/dbraw/zinc/09/23/09/559092309.db2.gz VEDDINNYUZGQMY-UHFFFAOYSA-N 1 0 412.533 4.776 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc2O3)o1 ZINC000096053388 559093367 /nfs/dbraw/zinc/09/33/67/559093367.db2.gz CZFOEZFDKSWFNF-LJQANCHMSA-N 1 0 408.542 4.548 40 0 HJABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053510 559093557 /nfs/dbraw/zinc/09/35/57/559093557.db2.gz KMFULCUSOCOWDQ-HXUWFJFHSA-N 1 0 412.599 4.811 40 0 HJABRO CN(c1ccc2ccc(C(=O)N3CCC([NH+]4CCCC4)CC3)cn21)c1ccc(F)cc1 ZINC000096146194 559097777 /nfs/dbraw/zinc/09/77/77/559097777.db2.gz IKSJWVHUXIKQEK-UHFFFAOYSA-N 1 0 420.532 4.547 40 0 HJABRO COc1cccc(N[C@@H]2COC3(C2)CC[NH+](Cc2ccc(Cl)c(F)c2)CC3)c1 ZINC000096221486 559102161 /nfs/dbraw/zinc/10/21/61/559102161.db2.gz ZZJCFSWPNLPCOJ-SFHVURJKSA-N 1 0 404.913 4.723 40 0 HJABRO O[C@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000585270094 559116314 /nfs/dbraw/zinc/11/63/14/559116314.db2.gz DXBQVEBDQVGMKV-OAQYLSRUSA-N 1 0 420.340 4.666 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290348 559122936 /nfs/dbraw/zinc/12/29/36/559122936.db2.gz QMFQXSKBKDHHGD-HNNXBMFYSA-N 1 0 418.419 4.539 40 0 HJABRO CC(C)(C)C[NH2+]C[C@H]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1 ZINC000100658077 559137383 /nfs/dbraw/zinc/13/73/83/559137383.db2.gz RQIIRQBBYLMPDB-BGYRXZFFSA-N 1 0 423.601 4.617 40 0 HJABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000072358901 559186112 /nfs/dbraw/zinc/18/61/12/559186112.db2.gz OYBCWZVGABOIDO-HSZRJFAPSA-N 1 0 414.553 4.914 40 0 HJABRO COC(=O)/C=C1\CC[C@H]2[C@@H]3CC=C4C=C([NH+]5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118928981 559206313 /nfs/dbraw/zinc/20/63/13/559206313.db2.gz WWWFGNPHCWUJER-CMRVGPCMSA-N 1 0 409.570 4.817 40 0 HJABRO COC(=O)/C=C1/CC[C@H]2[C@@H]3CC=C4C=C([NH+]5CCCC5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118928984 559206324 /nfs/dbraw/zinc/20/63/24/559206324.db2.gz WWWFGNPHCWUJER-IOMCXBSKSA-N 1 0 409.570 4.817 40 0 HJABRO O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C12C[C@H]3C[C@H](CC(Br)(C3)C1)C2 ZINC000004083735 560598623 /nfs/dbraw/zinc/59/86/23/560598623.db2.gz FOMDFGUQTIWHEP-VBBMSDFBSA-N 1 0 410.396 4.528 40 0 HJABRO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409414567 560723351 /nfs/dbraw/zinc/72/33/51/560723351.db2.gz MUMOMJJBRFKSKD-OIDISNMWSA-N 1 0 409.961 4.857 40 0 HJABRO CC1(C)CC(N(Cc2ccc(Br)o2)Cc2ccncc2)CC(C)(C)[NH2+]1 ZINC000013992713 560831576 /nfs/dbraw/zinc/83/15/76/560831576.db2.gz OIRSOBIONYEEDY-UHFFFAOYSA-N 1 0 406.368 4.749 40 0 HJABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219036796 568486137 /nfs/dbraw/zinc/48/61/37/568486137.db2.gz DCUHNKFETSLXOB-SFHVURJKSA-N 1 0 404.510 4.719 40 0 HJABRO Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCCCC4)cc3)n2)c1 ZINC000219964683 568500472 /nfs/dbraw/zinc/50/04/72/568500472.db2.gz UYSXDXKGLCSFET-UHFFFAOYSA-N 1 0 418.541 4.693 40 0 HJABRO S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cc[nH+]cc2)N1C1CCCCC1 ZINC000223086538 568537163 /nfs/dbraw/zinc/53/71/63/568537163.db2.gz FPODIQQJFLFBDS-YADHBBJMSA-N 1 0 403.555 4.573 40 0 HJABRO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000223717875 568557292 /nfs/dbraw/zinc/55/72/92/568557292.db2.gz GGEXZHJNOMBIEG-UHFFFAOYSA-N 1 0 412.549 4.530 40 0 HJABRO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515867 568583412 /nfs/dbraw/zinc/58/34/12/568583412.db2.gz ZYPXOUBVXNVPOP-JOCHJYFZSA-N 1 0 400.950 4.718 40 0 HJABRO O=C(CCCOc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224671106 568591718 /nfs/dbraw/zinc/59/17/18/568591718.db2.gz MLGAWVMTRKVFRT-UHFFFAOYSA-N 1 0 400.950 4.801 40 0 HJABRO Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCC2)cc(C)c1Cl ZINC000224778900 568596598 /nfs/dbraw/zinc/59/65/98/568596598.db2.gz UHODWQUWAYLZDG-SFHVURJKSA-N 1 0 400.950 4.636 40 0 HJABRO CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225288813 568627949 /nfs/dbraw/zinc/62/79/49/568627949.db2.gz YTJHCVVWFFJUED-VWLOTQADSA-N 1 0 422.569 4.835 40 0 HJABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225636567 568659006 /nfs/dbraw/zinc/65/90/06/568659006.db2.gz NHAICCMXTWFFBM-YKSBVNFPSA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225715315 568666942 /nfs/dbraw/zinc/66/69/42/568666942.db2.gz DGVTZKMVEXOKIA-HSGJQSDISA-N 1 0 416.606 4.967 40 0 HJABRO c1c2ccccc2oc1-c1nnc2sc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)nn21 ZINC000096194455 568704029 /nfs/dbraw/zinc/70/40/29/568704029.db2.gz ZMQRJTHTONOTAN-QGZVFWFLSA-N 1 0 401.495 4.589 40 0 HJABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260814626 568740184 /nfs/dbraw/zinc/74/01/84/568740184.db2.gz LNRVPQDYNMRIBY-YADARESESA-N 1 0 402.579 4.721 40 0 HJABRO CC(=O)Nc1ccc(C[NH+]2CCC3(CC2)Oc2cc(C)ccc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257224115 568783375 /nfs/dbraw/zinc/78/33/75/568783375.db2.gz FAJXVILZGKZGDA-UKILVPOCSA-N 1 0 420.553 4.848 40 0 HJABRO CC[NH+](CC)CCCNC(=O)c1ccc2c(c1O)[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)O2 ZINC000257237165 568786784 /nfs/dbraw/zinc/78/67/84/568786784.db2.gz HFKFPZJAKQJEQI-BHIYHBOVSA-N 1 0 402.579 4.545 40 0 HJABRO Cc1cccc(Nc2cncc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2)n1 ZINC000257242334 568788172 /nfs/dbraw/zinc/78/81/72/568788172.db2.gz IBYQZSLSIBJVIP-UHFFFAOYSA-N 1 0 410.525 4.851 40 0 HJABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCC3CC[NH+](C)CC3)c1O)OC2(C)C ZINC000257297865 568803778 /nfs/dbraw/zinc/80/37/78/568803778.db2.gz RJCMJBGOIAVTPF-NSISKUIASA-N 1 0 414.590 4.545 40 0 HJABRO CCOc1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000006790961 568936868 /nfs/dbraw/zinc/93/68/68/568936868.db2.gz FQWIETFSWUKQHB-VWLOTQADSA-N 1 0 420.597 4.779 40 0 HJABRO COc1ccc(OC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000006306037 569009395 /nfs/dbraw/zinc/00/93/95/569009395.db2.gz IFXDKELIMFGTJX-JOCHJYFZSA-N 1 0 411.586 4.687 40 0 HJABRO CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@@H+](C)C[C@@H](C)c2ccccc2)C1 ZINC000248127862 569316354 /nfs/dbraw/zinc/31/63/54/569316354.db2.gz PKBNUEFQKBVAND-NQIIRXRSSA-N 1 0 404.558 4.524 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSCc2cccc(Cl)c2)CC1 ZINC000009062891 569342264 /nfs/dbraw/zinc/34/22/64/569342264.db2.gz QAJLOIJCLFOWGH-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000019498191 569345559 /nfs/dbraw/zinc/34/55/59/569345559.db2.gz SWRULZWHTDBBPH-DRMXPCRNSA-N 1 0 421.585 4.521 40 0 HJABRO COc1ccc(OCc2sc([C@@]3(O)CCC[N@H+](CC(C)(C)C)CC3)nc2C)cc1 ZINC000019705276 569347900 /nfs/dbraw/zinc/34/79/00/569347900.db2.gz ZLDZQMCAMRNOQI-HSZRJFAPSA-N 1 0 418.603 4.759 40 0 HJABRO NC(=O)c1ccc(Oc2ccc(C[N@@H+]3CCC[C@H]3c3cccnc3)cc2)c(Cl)c1 ZINC000073196208 569385404 /nfs/dbraw/zinc/38/54/04/569385404.db2.gz LOOCZNLSXJHWTG-NRFANRHFSA-N 1 0 407.901 4.963 40 0 HJABRO CC1CC[NH+](Cc2cccc(NC(=O)[C@@]3(C)CC(c4ccccc4F)=NO3)c2)CC1 ZINC000141567118 571132341 /nfs/dbraw/zinc/13/23/41/571132341.db2.gz HXVMYSQBBNWGGV-XMMPIXPASA-N 1 0 409.505 4.579 40 0 HJABRO CC1=C[C@@H](C[NH+]2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 ZINC000096617451 291274228 /nfs/dbraw/zinc/27/42/28/291274228.db2.gz LGKRCSMESNCLNG-ZJOUEHCJSA-N 1 0 413.537 4.605 40 0 biogenic,in-vitro HJABRO CC1=C[C@@H](C[NH+]2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882771 291274236 /nfs/dbraw/zinc/27/42/36/291274236.db2.gz MSICKHSMAWNUCH-HJOGWXRNSA-N 1 0 423.601 4.838 40 0 biogenic,in-vitro HJABRO C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](C[C@H]4[C@H]3CC(=O)[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]2C[N@@H+]2C[C@@H](C)CC[C@@H]12 ZINC000070454884 291278848 /nfs/dbraw/zinc/27/88/48/291278848.db2.gz MWBJDDYEYGDWCZ-ATGPSCQOSA-N 1 0 413.646 4.771 40 0 biogenic,in-vitro HJABRO CC(C)Oc1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044932167 519779502 /nfs/dbraw/zinc/77/95/02/519779502.db2.gz NJPUMDCCHBCZBP-FQEVSTJZSA-N 1 0 400.950 4.656 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225715926 520455675 /nfs/dbraw/zinc/45/56/75/520455675.db2.gz ICUBCHOLMGFYGK-YKSBVNFPSA-N 1 0 402.579 4.865 40 0 HJABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044851435 520944759 /nfs/dbraw/zinc/94/47/59/520944759.db2.gz ZSZCQANPCJXCAD-UHFFFAOYSA-N 1 0 414.977 4.700 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1Cl ZINC000044939854 521491544 /nfs/dbraw/zinc/49/15/44/521491544.db2.gz FDGMBGCELHECPF-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C)c1 ZINC000044912114 521491594 /nfs/dbraw/zinc/49/15/94/521491594.db2.gz TXQGKWCDHDDQSL-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CC[C@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856867 522531735 /nfs/dbraw/zinc/53/17/35/522531735.db2.gz LPDGMLACXOFFCI-QFIPXVFZSA-N 1 0 410.558 4.961 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)cc1 ZINC000044855375 524437604 /nfs/dbraw/zinc/43/76/04/524437604.db2.gz KFLKSMXWDQCILN-HSZRJFAPSA-N 1 0 406.570 4.934 40 0 HJABRO Cc1cc(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)c(C)n1-c1cccnc1 ZINC000043277845 524669344 /nfs/dbraw/zinc/66/93/44/524669344.db2.gz ZFEFYYQQYULAFE-UHFFFAOYSA-N 1 0 417.532 4.917 40 0 HJABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 ZINC000225729039 525211326 /nfs/dbraw/zinc/21/13/26/525211326.db2.gz UIWUBQUGYFUGOV-CHWSQXEVSA-N 1 0 418.832 4.757 40 0 HJABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044855396 526174070 /nfs/dbraw/zinc/17/40/70/526174070.db2.gz QYTYYMPSURVJOR-JOCHJYFZSA-N 1 0 410.533 4.765 40 0 HJABRO O=C(CSCc1ccccc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873314 527026657 /nfs/dbraw/zinc/02/66/57/527026657.db2.gz ODXTXAOHMHSHPS-UHFFFAOYSA-N 1 0 402.991 4.876 40 0 HJABRO O=C(Cc1ccccc1)NCCC[NH+](CCc1ccccc1)CCc1ccccc1 ZINC000004748011 557592339 /nfs/dbraw/zinc/59/23/39/557592339.db2.gz JSWHQIIODUKZQE-UHFFFAOYSA-N 1 0 400.566 4.523 40 0 HJABRO CCOc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CCc1ccccc1 ZINC000004883020 557609616 /nfs/dbraw/zinc/60/96/16/557609616.db2.gz RSRWANORXWLERH-FRIKZZABSA-N 1 0 407.558 4.835 40 0 HJABRO CC1(C)O[C@@](C)(C[NH+]2CCCC2)CC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000005432560 557653329 /nfs/dbraw/zinc/65/33/29/557653329.db2.gz PJBOSXAOCVTWGX-WNCULLNHSA-N 1 0 420.597 4.747 40 0 HJABRO Cc1nc([C@H]2CCCC[N@@H+]2C2CCCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753230 558272524 /nfs/dbraw/zinc/27/25/24/558272524.db2.gz NEYYCNVZNQPTCJ-JOCHJYFZSA-N 1 0 410.537 4.714 40 0 HJABRO Cc1nc(C2CC[NH+](Cc3ccc(F)cc3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763933 558277630 /nfs/dbraw/zinc/27/76/30/558277630.db2.gz DZPLSKWLMYGYCX-UHFFFAOYSA-N 1 0 422.479 4.695 40 0 HJABRO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)N(C1CCCCC1)C1CCCCC1 ZINC000012114386 558327298 /nfs/dbraw/zinc/32/72/98/558327298.db2.gz YZLQKHFRTNHDED-OFFJZUQKSA-N 1 0 414.590 4.588 40 0 HJABRO COc1ccc(C2([NH2+]Cc3ccc(OCc4c(C)noc4C)c(OC)c3)CC2)cc1 ZINC000012238687 558359379 /nfs/dbraw/zinc/35/93/79/558359379.db2.gz NVYFUSHJXIEIKR-UHFFFAOYSA-N 1 0 408.498 4.667 40 0 HJABRO CC1CC[NH+](Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)CC1 ZINC000020451271 558365768 /nfs/dbraw/zinc/36/57/68/558365768.db2.gz JEYBPZXZRLYYJO-UHFFFAOYSA-N 1 0 400.563 4.721 40 0 HJABRO COc1ccc(C[N@H+](Cc2ccc(C)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000012366517 558388489 /nfs/dbraw/zinc/38/84/89/558388489.db2.gz XCCNPGGMLRGQHZ-RCZVLFRGSA-N 1 0 406.526 4.560 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000012408201 558399208 /nfs/dbraw/zinc/39/92/08/558399208.db2.gz ZGFPMJITQAXRLK-PZJWPPBQSA-N 1 0 409.530 4.666 40 0 HJABRO COc1cc(C[NH2+]CCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000022075748 558462525 /nfs/dbraw/zinc/46/25/25/558462525.db2.gz UGSKUBZVQBGNSB-UHFFFAOYSA-N 1 0 417.764 4.886 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1 ZINC000039753413 558687240 /nfs/dbraw/zinc/68/72/40/558687240.db2.gz YBVMSPIFGBXAAZ-UHFFFAOYSA-N 1 0 401.348 4.917 40 0 HJABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000039757766 558689364 /nfs/dbraw/zinc/68/93/64/558689364.db2.gz ZYIZWGUXMBTHGX-UHFFFAOYSA-N 1 0 421.324 4.631 40 0 HJABRO COC(=O)c1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)ccc1Cl ZINC000030938832 558745115 /nfs/dbraw/zinc/74/51/15/558745115.db2.gz CGJMZMAWVRWECL-HNNXBMFYSA-N 1 0 421.324 4.631 40 0 HJABRO COc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(OC)cc1Cl ZINC000030942673 558745943 /nfs/dbraw/zinc/74/59/43/558745943.db2.gz DYGTZIVAVWVKFT-HNNXBMFYSA-N 1 0 423.340 4.861 40 0 HJABRO O=C(Nc1ccc2[nH]c(Cc3ccccc3)nc2c1)c1cccc(CN2CCCC2=O)c1 ZINC000036748780 558802543 /nfs/dbraw/zinc/80/25/43/558802543.db2.gz BUZWZNDPYWHQPS-UHFFFAOYSA-N 1 0 424.504 4.528 40 0 HJABRO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833932 558817410 /nfs/dbraw/zinc/81/74/10/558817410.db2.gz JZOXUMKJFLECCL-HNNXBMFYSA-N 1 0 407.739 4.953 40 0 HJABRO Cc1cc(-c2cnc(NC(C)C)nc2C2CC[NH+](Cc3ccc(F)cc3)CC2)on1 ZINC000019123228 558844016 /nfs/dbraw/zinc/84/40/16/558844016.db2.gz FFUBRTLNEUMULF-UHFFFAOYSA-N 1 0 409.509 4.779 40 0 HJABRO Cc1cccc2c1[nH]c([C@H]1CCCN(C(=O)[C@@H](C)[NH+]3CCCC3)C1)c2-c1ccncc1 ZINC000019236513 558855602 /nfs/dbraw/zinc/85/56/02/558855602.db2.gz YFAWISKYCNSWKX-CTNGQTDRSA-N 1 0 416.569 4.729 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019236811 558855884 /nfs/dbraw/zinc/85/58/84/558855884.db2.gz XOXJGZHJMGRMII-HWBMXIPRSA-N 1 0 403.570 4.929 40 0 HJABRO Cc1ccnc(-n2cccc2C[N@H+](CCCn2ccnc2)Cc2cccc(F)c2)c1 ZINC000019238213 558857275 /nfs/dbraw/zinc/85/72/75/558857275.db2.gz OPOIFOCWBOUVHS-UHFFFAOYSA-N 1 0 403.505 4.609 40 0 HJABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCC[N@@H+]3C[C@@H]3CCOC3)nn21 ZINC000019344177 558872733 /nfs/dbraw/zinc/87/27/33/558872733.db2.gz UQQTWWUFYFFZMD-BBRMVZONSA-N 1 0 422.476 4.650 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019370352 558878419 /nfs/dbraw/zinc/87/84/19/558878419.db2.gz HVAAQCQXBXDJRA-FXSPECFOSA-N 1 0 403.570 4.550 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019370420 558878591 /nfs/dbraw/zinc/87/85/91/558878591.db2.gz IXGJQJIHJSCVIY-AREMUKBSSA-N 1 0 417.528 4.533 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000019400472 558883221 /nfs/dbraw/zinc/88/32/21/558883221.db2.gz QOWLDWRIHCBQLS-PTLVVNQVSA-N 1 0 407.533 4.760 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CCCC1 ZINC000019400685 558883457 /nfs/dbraw/zinc/88/34/57/558883457.db2.gz PGZHCWHVWAKBRQ-AUSIDOKSSA-N 1 0 413.512 4.620 40 0 HJABRO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4cccs4)C[C@@H]32)cc1 ZINC000019557780 558919731 /nfs/dbraw/zinc/91/97/31/558919731.db2.gz OSHXPIQEQUMUGV-WXFUMESZSA-N 1 0 424.610 4.763 40 0 HJABRO Cc1noc2nc([C@H]3CCC[N@H+](Cc4c[nH]nc4C(C)(C)C)C3)cc(C(F)F)c12 ZINC000019564304 558924418 /nfs/dbraw/zinc/92/44/18/558924418.db2.gz DCIURIMEACDTJB-ZDUSSCGKSA-N 1 0 403.477 4.869 40 0 HJABRO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019568931 558928057 /nfs/dbraw/zinc/92/80/57/558928057.db2.gz NUKXZYKENZPWCP-SQJMNOBHSA-N 1 0 421.585 4.854 40 0 HJABRO COc1ccccc1C[NH+]1CCC([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019570099 558928893 /nfs/dbraw/zinc/92/88/93/558928893.db2.gz DKGNZXGTOMIJHE-SANMLTNESA-N 1 0 421.585 4.740 40 0 HJABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072345960 558942500 /nfs/dbraw/zinc/94/25/00/558942500.db2.gz BLZWHMCJTFGZRN-KRWDZBQOSA-N 1 0 413.447 4.519 40 0 HJABRO CNc1cc([C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 ZINC000019592280 558943344 /nfs/dbraw/zinc/94/33/44/558943344.db2.gz CMECGYQXJOWFFU-HXUWFJFHSA-N 1 0 410.525 4.508 40 0 HJABRO Cc1ccccc1OCC[N@H+]1CC[C@@H](c2c3ccccc3sc2C(=O)N(C)C)C1 ZINC000072352319 558948578 /nfs/dbraw/zinc/94/85/78/558948578.db2.gz IJBLUPGTLKHKGL-GOSISDBHSA-N 1 0 408.567 4.780 40 0 HJABRO O=C(Nc1nccs1)c1cccc([C@H]2CCC[N@@H+]2Cc2cccc3ncccc23)n1 ZINC000072354392 558951849 /nfs/dbraw/zinc/95/18/49/558951849.db2.gz OBWNSNGPWYROSM-OAQYLSRUSA-N 1 0 415.522 4.676 40 0 HJABRO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2Cc2ccc(NC(C)=O)cc2)n1 ZINC000072358114 558953930 /nfs/dbraw/zinc/95/39/30/558953930.db2.gz IKENOUOBJCEGSY-RUZDIDTESA-N 1 0 415.537 4.977 40 0 HJABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000019702211 558967479 /nfs/dbraw/zinc/96/74/79/558967479.db2.gz KXZDMDMWAREAJA-KRWDZBQOSA-N 1 0 416.550 4.536 40 0 HJABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2c3cc(C)cnc3[nH]c2C(C)C)CC1 ZINC000072395260 558974078 /nfs/dbraw/zinc/97/40/78/558974078.db2.gz LURYFZJZHROGKJ-UHFFFAOYSA-N 1 0 404.558 4.622 40 0 HJABRO CC1CC[NH+](CC(=O)N2CCC[C@H](c3[nH]c4ccccc4c3-c3ccncc3)C2)CC1 ZINC000072396384 558975414 /nfs/dbraw/zinc/97/54/14/558975414.db2.gz CMXMGZAFDBZNJY-NRFANRHFSA-N 1 0 416.569 4.668 40 0 HJABRO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCCC[NH+](C)C)CCOCC3)c2)c1 ZINC000585168581 559067723 /nfs/dbraw/zinc/06/77/23/559067723.db2.gz YSKYZWAJGUERLQ-UHFFFAOYSA-N 1 0 422.613 4.768 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053220 559093120 /nfs/dbraw/zinc/09/31/20/559093120.db2.gz NJYKZDDXOAIPHQ-NRFANRHFSA-N 1 0 422.544 4.739 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)s1 ZINC000096053319 559093205 /nfs/dbraw/zinc/09/32/05/559093205.db2.gz VCAXXYWGMVWZKC-IBGZPJMESA-N 1 0 412.599 4.872 40 0 HJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)Oc2ccccc21 ZINC000096053469 559093429 /nfs/dbraw/zinc/09/34/29/559093429.db2.gz KUSMOGYYEIQHIE-FQEVSTJZSA-N 1 0 410.558 4.747 40 0 HJABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@H+]2Cc2ccccc2F)C1 ZINC000096071329 559094352 /nfs/dbraw/zinc/09/43/52/559094352.db2.gz MNSAMNRYRMNDDJ-QHCPKHFHSA-N 1 0 400.925 4.679 40 0 HJABRO COc1ccc(-c2nc(C3CC[NH+](Cc4ccco4)CC3)cc3c2ncn3C)cc1 ZINC000096099976 559095274 /nfs/dbraw/zinc/09/52/74/559095274.db2.gz WHSXNFKXSNVLNB-UHFFFAOYSA-N 1 0 402.498 4.617 40 0 HJABRO Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C(C)C)c(-c4cnn(C)c4)n3)CC2)o1 ZINC000096100048 559095446 /nfs/dbraw/zinc/09/54/46/559095446.db2.gz RWRJDNGVSNPKMV-UHFFFAOYSA-N 1 0 418.545 4.694 40 0 HJABRO Cc1cnc(C[N@@H+]2CCC[C@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)cn1 ZINC000585262836 559111484 /nfs/dbraw/zinc/11/14/84/559111484.db2.gz KXGJIAUYXVLTCY-KRWDZBQOSA-N 1 0 418.932 4.528 40 0 HJABRO Clc1ccc2ncc(-c3cccc([C@H]4CCC[N@H+](Cc5ccccn5)C4)n3)n2c1 ZINC000585262951 559111562 /nfs/dbraw/zinc/11/15/62/559111562.db2.gz RGCVMPOGJHAWDD-KRWDZBQOSA-N 1 0 403.917 4.824 40 0 HJABRO COc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)c1 ZINC000072359003 559186036 /nfs/dbraw/zinc/18/60/36/559186036.db2.gz PGWDHPHGQLVFAY-LJQANCHMSA-N 1 0 407.489 4.550 40 0 HJABRO COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Br ZINC000006297098 560741490 /nfs/dbraw/zinc/74/14/90/560741490.db2.gz PJRUZUGYCKYHGT-UHFFFAOYSA-N 1 0 403.320 4.696 40 0 HJABRO CC1(C)CC(N(Cc2ccccn2)Cc2cc3c(cc2Cl)OCO3)CC(C)(C)[NH2+]1 ZINC000013992632 560831663 /nfs/dbraw/zinc/83/16/63/560831663.db2.gz WGMWBPIUAQQHQH-UHFFFAOYSA-N 1 0 415.965 4.775 40 0 HJABRO CCc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000020192294 560885705 /nfs/dbraw/zinc/88/57/05/560885705.db2.gz NLHNAFQMEUFEJE-SANMLTNESA-N 1 0 404.598 4.942 40 0 HJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)C1 ZINC000219240771 568488225 /nfs/dbraw/zinc/48/82/25/568488225.db2.gz UXXMHMHZSBHNOP-MRXNPFEDSA-N 1 0 424.932 4.552 40 0 HJABRO COc1ccc2c(c1)N[C@@]1(CCC[N@H+](CCCOc3ccccc3)C1)c1cccn1-2 ZINC000057719899 568496130 /nfs/dbraw/zinc/49/61/30/568496130.db2.gz MLZWUHLYRUKOGD-RUZDIDTESA-N 1 0 403.526 4.672 40 0 HJABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219965232 568500436 /nfs/dbraw/zinc/50/04/36/568500436.db2.gz GELDSFRBGXYXDY-UHFFFAOYSA-N 1 0 424.570 4.836 40 0 HJABRO Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCCCCC4)cc3)n2)cc1 ZINC000219964742 568500439 /nfs/dbraw/zinc/50/04/39/568500439.db2.gz VALUSANIJRPLBK-UHFFFAOYSA-N 1 0 418.541 4.693 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000224527629 568583783 /nfs/dbraw/zinc/58/37/83/568583783.db2.gz HLQXUINSHDUVGL-UHFFFAOYSA-N 1 0 408.586 4.700 40 0 HJABRO Cc1cc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000224534929 568584035 /nfs/dbraw/zinc/58/40/35/568584035.db2.gz CKWKANWEZDOKAZ-GOSISDBHSA-N 1 0 400.950 4.718 40 0 HJABRO COc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1OCc1ccccc1 ZINC000019900066 568585426 /nfs/dbraw/zinc/58/54/26/568585426.db2.gz ZZVRTZNHXPQCIY-PZUNEJSGSA-N 1 0 418.581 4.604 40 0 HJABRO O=C(CSCc1ccc(Cl)cc1F)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224638513 568589955 /nfs/dbraw/zinc/58/99/55/568589955.db2.gz BTCMAOIPWARQLA-UHFFFAOYSA-N 1 0 406.954 4.625 40 0 HJABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682704 568592189 /nfs/dbraw/zinc/59/21/89/568592189.db2.gz ABNVFDUVPHMBMG-NRFANRHFSA-N 1 0 400.950 4.800 40 0 HJABRO O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1C[NH+]1CCCC1 ZINC000224759149 568595718 /nfs/dbraw/zinc/59/57/18/568595718.db2.gz LQUVXNQRWWYMHX-UHFFFAOYSA-N 1 0 406.954 4.625 40 0 HJABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836984 568599298 /nfs/dbraw/zinc/59/92/98/568599298.db2.gz CUMBWZQMYUSGEA-JOCHJYFZSA-N 1 0 400.950 4.800 40 0 HJABRO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224840977 568599602 /nfs/dbraw/zinc/59/96/02/568599602.db2.gz JYDBOQDGBKXEJD-QFIPXVFZSA-N 1 0 400.950 4.800 40 0 HJABRO S=C(Nc1ccc(Oc2ccccc2)cc1)N1CC[NH+](C2CCSCC2)CC1 ZINC000225216332 568623834 /nfs/dbraw/zinc/62/38/34/568623834.db2.gz PPCIUDJWRRIODS-UHFFFAOYSA-N 1 0 413.612 4.689 40 0 HJABRO CC[NH+](CC)CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 ZINC000225531294 568648004 /nfs/dbraw/zinc/64/80/04/568648004.db2.gz XOAWGGDHYPKDDN-UHFFFAOYSA-N 1 0 410.558 4.866 40 0 HJABRO C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000225561305 568651216 /nfs/dbraw/zinc/65/12/16/568651216.db2.gz GJOYWUXCZSGXSI-OAQYLSRUSA-N 1 0 422.569 4.627 40 0 HJABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000225672294 568662710 /nfs/dbraw/zinc/66/27/10/568662710.db2.gz BWGUMYLBEUQVIQ-KHCICDEESA-N 1 0 402.579 4.577 40 0 HJABRO C[C@@H]1CCC[N@H+](CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)C1 ZINC000225780070 568674148 /nfs/dbraw/zinc/67/41/48/568674148.db2.gz RMDJRQMKYRIOFK-GOSISDBHSA-N 1 0 400.950 4.771 40 0 HJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816836 568740115 /nfs/dbraw/zinc/74/01/15/568740115.db2.gz QZYRBDFGIZBLAJ-GBXCKJPGSA-N 1 0 404.595 4.967 40 0 HJABRO CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CC[NH+](Cc2ccncc2)CC1 ZINC000257249484 568790071 /nfs/dbraw/zinc/79/00/71/568790071.db2.gz JIPCNDBXJCEBES-UHFFFAOYSA-N 1 0 419.594 4.771 40 0 HJABRO CC(C)[N@@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3cccc4ncccc34)c2)C1 ZINC000257274328 568797033 /nfs/dbraw/zinc/79/70/33/568797033.db2.gz NKMXVJIEVQRQDC-FQEVSTJZSA-N 1 0 412.541 4.830 40 0 HJABRO CCOc1ccc([C@@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 ZINC000015230861 568820989 /nfs/dbraw/zinc/82/09/89/568820989.db2.gz IEOKOTNTQXTDGS-QFIPXVFZSA-N 1 0 419.467 4.754 40 0 HJABRO COc1cc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)c(OC)cc1Cl ZINC000009062970 569342265 /nfs/dbraw/zinc/34/22/65/569342265.db2.gz SWACRVGGLUNTTK-UHFFFAOYSA-N 1 0 402.922 4.516 40 0 HJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019348957 569345371 /nfs/dbraw/zinc/34/53/71/569345371.db2.gz SWDNPTPLKQAUPZ-PXDATVDWSA-N 1 0 409.549 4.871 40 0 HJABRO C[C@H](C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000019456117 569345430 /nfs/dbraw/zinc/34/54/30/569345430.db2.gz AMPDDSIZYOYEQN-SYYKKAFVSA-N 1 0 420.582 4.525 40 0 HJABRO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456043 569345466 /nfs/dbraw/zinc/34/54/66/569345466.db2.gz KVVHGIDFPXOQHE-JIPXPUAJSA-N 1 0 413.565 4.533 40 0 HJABRO Fc1ccccc1OCc1cc([C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000019704713 569347768 /nfs/dbraw/zinc/34/77/68/569347768.db2.gz FTGGZQVAFOFRAQ-GOSISDBHSA-N 1 0 402.473 4.666 40 0 HJABRO CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000019700209 569428585 /nfs/dbraw/zinc/42/85/85/569428585.db2.gz QZFXMGBRBDKXJJ-UHFFFAOYSA-N 1 0 413.565 4.662 40 0 HJABRO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC[C@H]5C[C@@H](O)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000070670014 571272376 /nfs/dbraw/zinc/27/23/76/571272376.db2.gz CGSTWGORIYPEBG-YXSXJYGWSA-N 1 0 415.662 4.707 40 0 biogenic HJABRO CC[C@H](C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C(C)C)[nH+]1 ZINC000328975455 571309465 /nfs/dbraw/zinc/30/94/65/571309465.db2.gz FKQRHEJKTZMIKY-AWEZNQCLSA-N 1 0 408.468 5.272 40 0 HJABRO CC1(C)C[C@H]([NH2+]CC2CCCCC2)[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12 ZINC000012531574 291273779 /nfs/dbraw/zinc/27/37/79/291273779.db2.gz KOKOAEOGFRMVLR-JPMIEVGJSA-N 1 0 418.666 4.895 40 0 biogenic,in-vitro HJABRO CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044916450 519778962 /nfs/dbraw/zinc/77/89/62/519778962.db2.gz SLMZOWVSDVZZCP-JOCHJYFZSA-N 1 0 412.549 4.574 40 0 HJABRO CCOC(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1C ZINC000044911595 521543911 /nfs/dbraw/zinc/54/39/11/521543911.db2.gz LFXZYFWVRHFRII-SFHVURJKSA-N 1 0 414.933 4.676 40 0 HJABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872939 523054744 /nfs/dbraw/zinc/05/47/44/523054744.db2.gz SKFRKWHHZHPBLR-XMMPIXPASA-N 1 0 402.538 4.909 40 0 HJABRO Cc1cc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(C)c1Cl ZINC000044872181 525382885 /nfs/dbraw/zinc/38/28/85/525382885.db2.gz IXMPYYNTRGLCOW-GOSISDBHSA-N 1 0 400.950 4.636 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044855709 525553197 /nfs/dbraw/zinc/55/31/97/525553197.db2.gz APEOVFFJERCWAE-HSZRJFAPSA-N 1 0 422.569 4.959 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000044855663 525553296 /nfs/dbraw/zinc/55/32/96/525553296.db2.gz FOIUUUHTFLRUOD-HSZRJFAPSA-N 1 0 422.569 4.634 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000044855662 525553566 /nfs/dbraw/zinc/55/35/66/525553566.db2.gz MSCSMKNBPYHTDM-QHCPKHFHSA-N 1 0 422.569 4.634 40 0 HJABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000044855371 526173682 /nfs/dbraw/zinc/17/36/82/526173682.db2.gz HPGOXJULCLXKHY-QHCPKHFHSA-N 1 0 406.570 4.934 40 0 HJABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1cccc(OCc2ccccc2)c1 ZINC000044872488 526656613 /nfs/dbraw/zinc/65/66/13/526656613.db2.gz VVAQRNVWUVZKKL-UHFFFAOYSA-N 1 0 400.522 4.791 40 0 HJABRO Cc1cc(NCC[NH+](C(C)C)C(C)C)nc(Nc2nc3cc(Cl)ccc3[nH]2)n1 ZINC000001706644 557281978 /nfs/dbraw/zinc/28/19/78/557281978.db2.gz PJFKBDIVMUNLGV-UHFFFAOYSA-N 1 0 401.946 4.589 40 0 HJABRO Cc1c2c(ccc1[C@@H](C)[C@H]1[NH2+]C[C@@H](C)C[C@H]1O)[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@@H]1C2 ZINC000004429989 557554794 /nfs/dbraw/zinc/55/47/94/557554794.db2.gz MALFODICFSIXPO-XCFJYGRVSA-N 1 0 409.614 4.595 40 0 in-vitro HJABRO CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000006462771 557703849 /nfs/dbraw/zinc/70/38/49/557703849.db2.gz BOEPGOWBQFJLMZ-UHFFFAOYSA-N 1 0 423.344 4.709 40 0 HJABRO Cc1nc([C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753210 558272550 /nfs/dbraw/zinc/27/25/50/558272550.db2.gz WKAIHQIWLPZFJI-SFHVURJKSA-N 1 0 406.917 4.680 40 0 HJABRO C[C@@H](CC[NH+]1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1)c1ccccc1 ZINC000019756413 558274461 /nfs/dbraw/zinc/27/44/61/558274461.db2.gz KURIZYXCGMBHIL-FQEVSTJZSA-N 1 0 422.617 4.541 40 0 HJABRO CC(C)NC(=O)c1cc([C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)nc2ccccc21 ZINC000019762837 558277351 /nfs/dbraw/zinc/27/73/51/558277351.db2.gz HFXIYMNIJCJWHQ-HXUWFJFHSA-N 1 0 424.548 4.911 40 0 HJABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(OCCSc2ccccc2)cc1 ZINC000019933370 558311130 /nfs/dbraw/zinc/31/11/30/558311130.db2.gz XXEJFUCOPWQXBM-UHFFFAOYSA-N 1 0 412.599 4.854 40 0 HJABRO COc1ccccc1CC(=O)N1CCC(c2[nH+]c3ccccn3c2NC(C)(C)C)CC1 ZINC000012087443 558322334 /nfs/dbraw/zinc/32/23/34/558322334.db2.gz WHWYLGHKLJPYLU-UHFFFAOYSA-N 1 0 420.557 4.502 40 0 HJABRO COc1ccc(C[N@@H+](Cc2ccc(C)o2)C[C@@H]2CCCO2)cc1Cn1nc(C)cc1C ZINC000012187437 558346280 /nfs/dbraw/zinc/34/62/80/558346280.db2.gz WAQXMBCNSIPTQW-QHCPKHFHSA-N 1 0 423.557 4.639 40 0 HJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)C1 ZINC000020458231 558371249 /nfs/dbraw/zinc/37/12/49/558371249.db2.gz LVEBHYOLPDYJDP-SFHVURJKSA-N 1 0 407.558 4.699 40 0 HJABRO CCOc1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000020492463 558378544 /nfs/dbraw/zinc/37/85/44/558378544.db2.gz HWZMFINMQIZDPO-UHFFFAOYSA-N 1 0 400.522 4.574 40 0 HJABRO O=C(NCCSc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039755572 558687597 /nfs/dbraw/zinc/68/75/97/558687597.db2.gz HYCCPSVXWFOZLO-UHFFFAOYSA-N 1 0 406.954 4.600 40 0 HJABRO Cc1ccc(SCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038836636 558818141 /nfs/dbraw/zinc/81/81/41/558818141.db2.gz CXNGCSIBJPAQOL-IBGZPJMESA-N 1 0 402.991 4.769 40 0 HJABRO COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)cc1 ZINC000019081625 558839803 /nfs/dbraw/zinc/83/98/03/558839803.db2.gz VRCYGJHTKUGRRK-YPAWHYETSA-N 1 0 412.599 4.619 40 0 HJABRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000019081722 558839817 /nfs/dbraw/zinc/83/98/17/558839817.db2.gz NIGFCWPBZVFLLQ-NFBKMPQASA-N 1 0 409.574 4.738 40 0 HJABRO COc1ccc(C[N@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC ZINC000019120481 558842890 /nfs/dbraw/zinc/84/28/90/558842890.db2.gz JAPMPYCAXLWCMT-JTHBVZDNSA-N 1 0 421.541 4.809 40 0 HJABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019219224 558851366 /nfs/dbraw/zinc/85/13/66/558851366.db2.gz BNUYXGDPPAFICD-DHIUTWEWSA-N 1 0 409.570 4.677 40 0 HJABRO Cc1nc(-c2ccc(Cl)cc2)c(CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)s1 ZINC000019240605 558859155 /nfs/dbraw/zinc/85/91/55/558859155.db2.gz BONXSYKNIMUHOA-IBGZPJMESA-N 1 0 418.006 4.791 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019370413 558878703 /nfs/dbraw/zinc/87/87/03/558878703.db2.gz YGSPJKBUGCSNDZ-SANMLTNESA-N 1 0 417.528 4.533 40 0 HJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019400584 558883238 /nfs/dbraw/zinc/88/32/38/558883238.db2.gz AHYXWHRDNZKYSF-SQJMNOBHSA-N 1 0 409.549 4.871 40 0 HJABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4ccncc4)C3)cc2n1 ZINC000019452288 558890101 /nfs/dbraw/zinc/89/01/01/558890101.db2.gz QMNCDPOBKVPWBZ-MRXNPFEDSA-N 1 0 403.452 4.646 40 0 HJABRO CC(C)c1nc([C@@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2ccccc2F)cc(=O)[nH]1 ZINC000019453490 558890777 /nfs/dbraw/zinc/89/07/77/558890777.db2.gz HCQBZRRNUAVOSW-OAQYLSRUSA-N 1 0 404.489 4.587 40 0 HJABRO C[C@@H]1CC[C@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@@H+]2C1 ZINC000070707866 558893281 /nfs/dbraw/zinc/89/32/81/558893281.db2.gz NEMWYOKGHGSVSC-UKPYLRCASA-N 1 0 415.662 4.563 40 0 HJABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4cccc(Cl)c4)C3)no2)CC1 ZINC000019496749 558895765 /nfs/dbraw/zinc/89/57/65/558895765.db2.gz LZFUJYCOVZAANP-SFHVURJKSA-N 1 0 401.938 4.580 40 0 HJABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cccnc2NC)C1 ZINC000019522022 558903180 /nfs/dbraw/zinc/90/31/80/558903180.db2.gz QLAOTCXUIXOEOA-ZDUSSCGKSA-N 1 0 419.451 4.620 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330409 558934484 /nfs/dbraw/zinc/93/44/84/558934484.db2.gz BFNRFIIFQPRIMC-XXBNENTESA-N 1 0 421.566 4.535 40 0 HJABRO CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1nc2c(s1)CCc1occc1-2 ZINC000072346980 558943653 /nfs/dbraw/zinc/94/36/53/558943653.db2.gz UMSCZMNTBKESHD-UHFFFAOYSA-N 1 0 407.539 4.764 40 0 HJABRO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000072353747 558950927 /nfs/dbraw/zinc/95/09/27/558950927.db2.gz ZBSXBZPEWDOMKB-FQEVSTJZSA-N 1 0 414.553 4.940 40 0 HJABRO CNc1ncccc1C[N@@H+]1CCCC[C@@H]1c1nc(N)ncc1-c1cccc(Cl)c1 ZINC000072377243 558966524 /nfs/dbraw/zinc/96/65/24/558966524.db2.gz CVMMNLCYTPKAPS-LJQANCHMSA-N 1 0 408.937 4.543 40 0 HJABRO CC[NH+](CC)[C@H](C(=O)N1CCc2nc(-c3ccc(F)cc3)sc2C1)c1ccccc1 ZINC000072391992 558971945 /nfs/dbraw/zinc/97/19/45/558971945.db2.gz ZUSSGRKQBBZRFS-QFIPXVFZSA-N 1 0 423.557 4.917 40 0 HJABRO Cc1ccn(CCNC(=O)c2sc3ccccc3c2[C@H]2CC[C@H](C[NH+](C)C)CC2)n1 ZINC000257240446 558993478 /nfs/dbraw/zinc/99/34/78/558993478.db2.gz HTNOHXQFHLFCSM-WGSAOQKQSA-N 1 0 424.614 4.672 40 0 HJABRO c1ccc([C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)[C@@H]3CCOC[C@@H]32)cc1 ZINC000257344552 559014543 /nfs/dbraw/zinc/01/45/43/559014543.db2.gz ZXTNURWEULCGOY-UBFVSLLYSA-N 1 0 400.522 4.665 40 0 HJABRO C[C@@H]([NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 ZINC000095951574 559089444 /nfs/dbraw/zinc/08/94/44/559089444.db2.gz RQUOXSVJZAAWGN-WVCMQLSOSA-N 1 0 422.569 4.791 40 0 HJABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccc(C)s1)CC2 ZINC000096037033 559090768 /nfs/dbraw/zinc/09/07/68/559090768.db2.gz MEXAICBMYYCSIP-UHFFFAOYSA-N 1 0 406.599 4.747 40 0 HJABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053472 559093547 /nfs/dbraw/zinc/09/35/47/559093547.db2.gz NBYLPEYVDGTPQM-OAQYLSRUSA-N 1 0 424.560 4.985 40 0 HJABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3nccnc3-c3cccc(C)c3)C2)cc1 ZINC000072359045 559186079 /nfs/dbraw/zinc/18/60/79/559186079.db2.gz RJUPSXLYFDWKGR-JOCHJYFZSA-N 1 0 400.526 4.790 40 0 HJABRO C[C@H]1[C@H]2CC[C@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@@H]12 ZINC000118915635 559205425 /nfs/dbraw/zinc/20/54/25/559205425.db2.gz AANKDJLVHZQCFG-SSXAIVMPSA-N 1 0 413.646 4.626 40 0 in-vitro HJABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 ZINC000257268613 559285049 /nfs/dbraw/zinc/28/50/49/559285049.db2.gz MMKRIWMTTDJRPV-NRFANRHFSA-N 1 0 413.565 4.926 40 0 HJABRO COC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000257281094 559285290 /nfs/dbraw/zinc/28/52/90/559285290.db2.gz ONOUDEUOTQFRIO-UHFFFAOYSA-N 1 0 420.340 4.930 40 0 HJABRO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000409414564 560723341 /nfs/dbraw/zinc/72/33/41/560723341.db2.gz MUMOMJJBRFKSKD-IFOZNXLVSA-N 1 0 409.961 4.857 40 0 HJABRO CC1(C)CC(N(Cc2ccc(Br)o2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000013992635 560831655 /nfs/dbraw/zinc/83/16/55/560831655.db2.gz PVUMASCHWQWTOB-UHFFFAOYSA-N 1 0 406.368 4.749 40 0 HJABRO COc1ccc(C[NH+]2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c(OC)c1 ZINC000057774532 568497405 /nfs/dbraw/zinc/49/74/05/568497405.db2.gz LYYGOLYVIXCCKV-UHFFFAOYSA-N 1 0 419.447 4.979 40 0 HJABRO CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000022931894 568500855 /nfs/dbraw/zinc/50/08/55/568500855.db2.gz NNBDWDGNSHBVGR-HSZRJFAPSA-N 1 0 423.601 4.898 40 0 HJABRO CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000222942838 568531872 /nfs/dbraw/zinc/53/18/72/568531872.db2.gz ZTAQMABPWFAIRZ-QHCPKHFHSA-N 1 0 409.574 4.532 40 0 HJABRO CCc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000223415875 568548098 /nfs/dbraw/zinc/54/80/98/568548098.db2.gz ILUORQBTUWEETC-UHFFFAOYSA-N 1 0 414.549 4.616 40 0 HJABRO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000223793373 568559338 /nfs/dbraw/zinc/55/93/38/568559338.db2.gz KPVTYISKNHOEEB-UHFFFAOYSA-N 1 0 414.977 4.871 40 0 HJABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224676794 568591981 /nfs/dbraw/zinc/59/19/81/568591981.db2.gz XPNVXICQPIGMOR-HXUWFJFHSA-N 1 0 402.538 4.909 40 0 HJABRO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800874 568597437 /nfs/dbraw/zinc/59/74/37/568597437.db2.gz BWWPBIKCPAWRJD-JOCHJYFZSA-N 1 0 400.950 4.718 40 0 HJABRO CC(C)n1c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2sc1=O ZINC000225151401 568618323 /nfs/dbraw/zinc/61/83/23/568618323.db2.gz BNGCWMNEVJVQNR-UHFFFAOYSA-N 1 0 409.555 4.882 40 0 HJABRO S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000225232066 568624930 /nfs/dbraw/zinc/62/49/30/568624930.db2.gz NYTXMLBWXZBXFY-UHFFFAOYSA-N 1 0 417.582 4.776 40 0 HJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225623075 568658083 /nfs/dbraw/zinc/65/80/83/568658083.db2.gz MMBVSYDTAFZLBV-JXALWOEJSA-N 1 0 404.595 4.967 40 0 HJABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225636785 568659039 /nfs/dbraw/zinc/65/90/39/568659039.db2.gz AQBCKUTUANEWKK-YKSBVNFPSA-N 1 0 402.579 4.865 40 0 HJABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225672980 568662701 /nfs/dbraw/zinc/66/27/01/568662701.db2.gz FXYFQBPAUBMGHC-XMMPIXPASA-N 1 0 402.579 4.865 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCC1 ZINC000225709237 568666600 /nfs/dbraw/zinc/66/66/00/568666600.db2.gz HITIMQYROAGYIV-BGYRXZFFSA-N 1 0 402.579 4.721 40 0 HJABRO C[NH+]1CCC(Oc2ccc(CNC(=S)Nc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000225772251 568673230 /nfs/dbraw/zinc/67/32/30/568673230.db2.gz YHZINJZOFPZLGN-UHFFFAOYSA-N 1 0 423.504 4.665 40 0 HJABRO CSc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257236750 568786786 /nfs/dbraw/zinc/78/67/86/568786786.db2.gz HDPDVTJHWGSFQU-SFHVURJKSA-N 1 0 413.587 4.839 40 0 HJABRO Cc1nc([C@]2(O)CCC[N@@H+](C3CCCC3)CC2)sc1CCOc1ccc(F)cc1 ZINC000257279692 568798347 /nfs/dbraw/zinc/79/83/47/568798347.db2.gz OHTOBRPVVOWRKX-QHCPKHFHSA-N 1 0 418.578 4.828 40 0 HJABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]1c1ccnc(CNC(C)=O)c1 ZINC000257283176 568799395 /nfs/dbraw/zinc/79/93/95/568799395.db2.gz OXAQCBWRGYTVOQ-VWLOTQADSA-N 1 0 415.537 4.730 40 0 HJABRO Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@H]3Cc2ccccc2)s1 ZINC000257287503 568800912 /nfs/dbraw/zinc/80/09/12/568800912.db2.gz PQGMMKCLJOAQEH-CZLVRFMKSA-N 1 0 423.626 4.849 40 0 HJABRO CC(C)(C)NC(=O)[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(Cl)c(F)c2)[NH2+]1 ZINC000257297886 568803743 /nfs/dbraw/zinc/80/37/43/568803743.db2.gz RJEURSCGRKNECG-JVPBZIDWSA-N 1 0 420.960 4.532 40 0 HJABRO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)on1 ZINC000257323002 568811304 /nfs/dbraw/zinc/81/13/04/568811304.db2.gz WIJGVBUUZZFTRR-MAAHOPOVSA-N 1 0 407.558 4.545 40 0 HJABRO Oc1cccc2c1OC1(CC[NH+](Cc3ccnc4ccccc34)CC1)[C@H]1CCCO[C@H]21 ZINC000257336845 568815153 /nfs/dbraw/zinc/81/51/53/568815153.db2.gz YQGNDCNSJUHVSZ-XUZZJYLKSA-N 1 0 416.521 4.835 40 0 HJABRO CCc1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329045944 568974567 /nfs/dbraw/zinc/97/45/67/568974567.db2.gz TXVYXYGRFFUPLV-UHFFFAOYSA-N 1 0 401.352 4.719 40 0 HJABRO CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@H+](C)C[C@H](C)c2ccccc2)C1 ZINC000248126890 569316329 /nfs/dbraw/zinc/31/63/29/569316329.db2.gz PAQLLIFNTBUBHQ-PZJWPPBQSA-N 1 0 418.585 4.914 40 0 HJABRO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000009063283 569342308 /nfs/dbraw/zinc/34/23/08/569342308.db2.gz PINDGSWBTPIMRX-UHFFFAOYSA-N 1 0 402.991 4.769 40 0 HJABRO O=C(Nc1ccc(Br)cc1F)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063626 569342396 /nfs/dbraw/zinc/34/23/96/569342396.db2.gz NIVJNGVYDGSHCJ-UHFFFAOYSA-N 1 0 409.274 4.578 40 0 HJABRO O=C(NCCSCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063474 569342476 /nfs/dbraw/zinc/34/24/76/569342476.db2.gz MAHSHGAMUBQBOR-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000019577337 569345782 /nfs/dbraw/zinc/34/57/82/569345782.db2.gz JJKKJDIFSMJYBC-WIOPSUGQSA-N 1 0 421.585 4.577 40 0 HJABRO Cc1nc([C@]2(O)CCC[N@@H+](C3CCCC3)CC2)sc1CCOc1ccccc1F ZINC000019705413 569348018 /nfs/dbraw/zinc/34/80/18/569348018.db2.gz YRNGPYZYZFVAJX-QHCPKHFHSA-N 1 0 418.578 4.828 40 0 HJABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036092713 569351677 /nfs/dbraw/zinc/35/16/77/569351677.db2.gz PYOKJJNUOGAENT-OALUTQOASA-N 1 0 407.558 4.699 40 0 HJABRO CC1(C)C[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918117 569352034 /nfs/dbraw/zinc/35/20/34/569352034.db2.gz DVBXOJVCDQKCPK-RXVVDRJESA-N 1 0 412.961 4.971 40 0 HJABRO CC[C@H](C)Nc1nc(N2CCc3ccc(Br)cc3C2)cc(C(C)C)[nH+]1 ZINC000329025619 571309489 /nfs/dbraw/zinc/30/94/89/571309489.db2.gz PGTKAAYYWXBXMT-AWEZNQCLSA-N 1 0 403.368 5.136 40 0 HJABRO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000044911882 521472770 /nfs/dbraw/zinc/47/27/70/521472770.db2.gz OBTPKKZJEKLDIG-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1Cl ZINC000044939893 521490177 /nfs/dbraw/zinc/49/01/77/521490177.db2.gz FDRHFBMFDBOFRN-UHFFFAOYSA-N 1 0 418.896 4.507 40 0 HJABRO CCOC(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1C ZINC000044911592 521542453 /nfs/dbraw/zinc/54/24/53/521542453.db2.gz LFXZYFWVRHFRII-GOSISDBHSA-N 1 0 414.933 4.676 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330412 524028690 /nfs/dbraw/zinc/02/86/90/524028690.db2.gz PAWMKIITWCDBRX-CVDCTZTESA-N 1 0 421.566 4.535 40 0 HJABRO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875039 525951816 /nfs/dbraw/zinc/95/18/16/525951816.db2.gz VEQAFUJEAZVZMY-FQEVSTJZSA-N 1 0 402.538 4.909 40 0 HJABRO CCCCOc1ccc(Cc2nn(CC[NH+](CC)CC)c(=O)c3ccccc23)cc1 ZINC000005420633 557652910 /nfs/dbraw/zinc/65/29/10/557652910.db2.gz OWMQJKKXJLZFQD-UHFFFAOYSA-N 1 0 407.558 4.508 40 0 HJABRO Cc1nc([C@@H]2CCC[N@@H+](C3CCCCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000019744491 558264975 /nfs/dbraw/zinc/26/49/75/558264975.db2.gz IRXQMWMPJNVIKW-LJQANCHMSA-N 1 0 422.548 4.526 40 0 HJABRO Cc1n[nH]c(C)c1[C@H](C)NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748482 558267728 /nfs/dbraw/zinc/26/77/28/558267728.db2.gz VYNAFMMBKLQYBL-AWEZNQCLSA-N 1 0 422.495 4.525 40 0 HJABRO CCOc1ccc(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000012118219 558329598 /nfs/dbraw/zinc/32/95/98/558329598.db2.gz PZGCNBHLHAWIFT-UHFFFAOYSA-N 1 0 411.590 4.800 40 0 HJABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000012293636 558366974 /nfs/dbraw/zinc/36/69/74/558366974.db2.gz NPNNXCGYPNRXQH-WOJBJXKFSA-N 1 0 422.352 4.686 40 0 HJABRO O=C(NCCSCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039763588 558685821 /nfs/dbraw/zinc/68/58/21/558685821.db2.gz FNJNKJGWBJKBIS-UHFFFAOYSA-N 1 0 402.991 4.602 40 0 HJABRO O=C(Nc1ccc(Br)c(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039768364 558686311 /nfs/dbraw/zinc/68/63/11/558686311.db2.gz PZXDFRAZOOXAKI-UHFFFAOYSA-N 1 0 407.739 4.953 40 0 HJABRO COc1cc(C[NH2+][C@@H](C)C(C)(C)C)ccc1OCC(=O)Nc1ccccc1Cl ZINC000036612726 558728008 /nfs/dbraw/zinc/72/80/08/558728008.db2.gz UAHUKHMEMWKPIA-HNNXBMFYSA-N 1 0 404.938 4.890 40 0 HJABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081771 558839774 /nfs/dbraw/zinc/83/97/74/558839774.db2.gz MFADXOOQCKMLBA-CKLISVJZSA-N 1 0 421.585 4.719 40 0 HJABRO Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC[NH+](CCCOc3ccccc3)CC1)N2 ZINC000019128983 558845015 /nfs/dbraw/zinc/84/50/15/558845015.db2.gz BGHHIYHBYGKSPX-VQTJNVASSA-N 1 0 422.495 4.660 40 0 HJABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1C ZINC000019213489 558849288 /nfs/dbraw/zinc/84/92/88/558849288.db2.gz GVXCQUCJRYYZLB-FCHUYYIVSA-N 1 0 415.961 4.649 40 0 HJABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1C ZINC000019213484 558849343 /nfs/dbraw/zinc/84/93/43/558849343.db2.gz GVXCQUCJRYYZLB-FGZHOGPDSA-N 1 0 415.961 4.649 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019236826 558856125 /nfs/dbraw/zinc/85/61/25/558856125.db2.gz MHGQPPKWKXRZQY-OFVILXPXSA-N 1 0 417.528 4.912 40 0 HJABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@@H]21 ZINC000019334355 558869367 /nfs/dbraw/zinc/86/93/67/558869367.db2.gz SDLATWVIXCLFAN-VABKMULXSA-N 1 0 412.574 4.894 40 0 HJABRO O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019336203 558870198 /nfs/dbraw/zinc/87/01/98/558870198.db2.gz VZDPDPHIWOQPAL-SDHOMARFSA-N 1 0 421.560 4.731 40 0 HJABRO CC(C)c1nc([C@@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2cccc(F)c2)cc(=O)[nH]1 ZINC000019453486 558890743 /nfs/dbraw/zinc/89/07/43/558890743.db2.gz QNSQSCASLGURND-OAQYLSRUSA-N 1 0 404.489 4.587 40 0 HJABRO C[C@@H]1CC[C@@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@@H+]2C1 ZINC000070707870 558893291 /nfs/dbraw/zinc/89/32/91/558893291.db2.gz NEMWYOKGHGSVSC-NPJTXOOUSA-N 1 0 415.662 4.563 40 0 HJABRO CC[NH+]1CCC(n2nccc2NC(=O)C(C)(C)Oc2cc(C)ccc2C(C)C)CC1 ZINC000019527045 558908128 /nfs/dbraw/zinc/90/81/28/558908128.db2.gz HRGKTFCHIRWIPG-UHFFFAOYSA-N 1 0 412.578 4.768 40 0 HJABRO Cc1cc(Oc2ccc(NC(=O)Cc3ccsc3)cc2)cc(C2CC[NH2+]CC2)n1 ZINC000019570467 558929280 /nfs/dbraw/zinc/92/92/80/558929280.db2.gz AZUOVDPKVSEDEF-UHFFFAOYSA-N 1 0 407.539 4.892 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cccs1 ZINC000072330405 558934496 /nfs/dbraw/zinc/93/44/96/558934496.db2.gz FICZDQUATVLFHZ-GCJKJVERSA-N 1 0 409.530 4.666 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(c2nnc([C@H]3CCCCN3C(=O)CC(C)C)o2)CC1 ZINC000072344952 558941362 /nfs/dbraw/zinc/94/13/62/558941362.db2.gz VKSMNBRKQZFZTK-JOCHJYFZSA-N 1 0 424.589 4.857 40 0 HJABRO Cc1ccccc1Cc1ccc(C2CCN(C(=O)CC[C@H](C)[NH+]3CCCC3)CC2)nc1 ZINC000019690402 558959842 /nfs/dbraw/zinc/95/98/42/558959842.db2.gz ZCGOZWOXMATMRQ-QFIPXVFZSA-N 1 0 419.613 4.951 40 0 HJABRO COc1ccc2c(C[N@@H+]3CCC[C@H]3c3cc(-c4cnn(C)c4)cc(C)n3)cn(C)c2c1 ZINC000019690996 558960525 /nfs/dbraw/zinc/96/05/25/558960525.db2.gz CLDFGJLDJJRMHY-DEOSSOPVSA-N 1 0 415.541 4.628 40 0 HJABRO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@H+]2Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019691048 558960636 /nfs/dbraw/zinc/96/06/36/558960636.db2.gz MACUHSUXNWBGBI-VWLOTQADSA-N 1 0 424.552 4.798 40 0 HJABRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 ZINC000072373152 558960925 /nfs/dbraw/zinc/96/09/25/558960925.db2.gz NIGFCWPBZVFLLQ-REWPJTCUSA-N 1 0 409.574 4.738 40 0 HJABRO CCn1cc(C[NH+]2CCC(c3cc(Cc4cccc(OC)c4)cc(C)n3)CC2)c(C)n1 ZINC000019691845 558961217 /nfs/dbraw/zinc/96/12/17/558961217.db2.gz JBCVKNHQKYDFTR-UHFFFAOYSA-N 1 0 418.585 4.894 40 0 HJABRO CC(C)n1cc(C[NH+]2CCC(c3ccc(C(=O)N(C)C)cn3)CC2)c2ccccc21 ZINC000019705834 558968360 /nfs/dbraw/zinc/96/83/60/558968360.db2.gz UXUGGGXIBNIGAP-UHFFFAOYSA-N 1 0 404.558 4.699 40 0 HJABRO CN(C)C(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072391194 558971208 /nfs/dbraw/zinc/97/12/08/558971208.db2.gz AQPWHURBPBIETE-RUZDIDTESA-N 1 0 419.594 4.723 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000072398607 558976023 /nfs/dbraw/zinc/97/60/23/558976023.db2.gz SLWQLUZMKVLMLA-QPPBQGQZSA-N 1 0 423.601 4.823 40 0 HJABRO O=C1CC[C@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1Cc1ccc(F)cc1 ZINC000585100761 559023719 /nfs/dbraw/zinc/02/37/19/559023719.db2.gz VRWXQWLPYZHLJJ-SANMLTNESA-N 1 0 406.545 4.862 40 0 HJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053219 559093046 /nfs/dbraw/zinc/09/30/46/559093046.db2.gz NJYKZDDXOAIPHQ-OAQYLSRUSA-N 1 0 422.544 4.739 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)N2CCCC2)c2ccccc2O3)o1 ZINC000096053216 559093129 /nfs/dbraw/zinc/09/31/29/559093129.db2.gz OEVXYKDVDJQVCP-HXUWFJFHSA-N 1 0 408.542 4.501 40 0 HJABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCC[N@H+]2Cc2cccc(F)c2)C1 ZINC000096071326 559094378 /nfs/dbraw/zinc/09/43/78/559094378.db2.gz UWEJYIINOUUCJK-HSZRJFAPSA-N 1 0 400.925 4.679 40 0 HJABRO c1nc(Nc2cccc(C[C@H]3COC4(C3)CC[NH2+]CC4)n2)sc1-c1ccccc1 ZINC000585263252 559112052 /nfs/dbraw/zinc/11/20/52/559112052.db2.gz SEWVAALNYXQSGL-QGZVFWFLSA-N 1 0 406.555 4.650 40 0 HJABRO OC1(COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccc3[nH]ccc3c2)CC1 ZINC000585270481 559116326 /nfs/dbraw/zinc/11/63/26/559116326.db2.gz LCOYXZGBBOJHBZ-UHFFFAOYSA-N 1 0 405.325 4.881 40 0 HJABRO Fc1ccccc1C[N@@H+]1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290694 559123289 /nfs/dbraw/zinc/12/32/89/559123289.db2.gz UCOWINQHNMHIGB-OAHLLOKOSA-N 1 0 406.383 4.669 40 0 HJABRO Cc1ccc(Cl)c(OCC2(O)CC[NH+](C[C@@]3(O)CC[C@H](C(C)(C)C)CC3)CC2)c1 ZINC000585288163 559123354 /nfs/dbraw/zinc/12/33/54/559123354.db2.gz YHXJLWFITACBAU-OKDJAKQTSA-N 1 0 424.025 4.822 40 0 HJABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CC[NH3+] ZINC000118926657 559206237 /nfs/dbraw/zinc/20/62/37/559206237.db2.gz RQLXCBXLAWPNRI-NEHZRAFDSA-N 1 0 417.634 4.941 40 0 HJABRO CCCCCC[N@H+]1C[C@@H]2[C@H](C1)Oc1cc(-c3ccc(F)cc3F)ccc1C(=O)N2C ZINC000514289991 560031203 /nfs/dbraw/zinc/03/12/03/560031203.db2.gz QROGGVHHKYJECS-GGAORHGYSA-N 1 0 414.496 4.729 40 0 biogenic,in-vitro HJABRO CC(=O)N1CCC([NH2+]C[C@@H]2C=C(C)[C@H](Cc3nc4ccccc4[nH]3)C[C@H]2C(C)C)CC1 ZINC000072320801 560077307 /nfs/dbraw/zinc/07/73/07/560077307.db2.gz FHDZKMSVUNEOGP-FUDKSRODSA-N 1 0 422.617 4.561 40 0 biogenic,in-vitro HJABRO Cc1nc2cc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)ccc2n1-c1ccccc1 ZINC000004902733 560617553 /nfs/dbraw/zinc/61/75/53/560617553.db2.gz JHJMSLUJTANESB-UHFFFAOYSA-N 1 0 424.548 4.728 40 0 HJABRO Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N4C[C@@H](C)O[C@H](C)C4)cc3)sc2c1 ZINC000012692040 560783961 /nfs/dbraw/zinc/78/39/61/560783961.db2.gz LPMKVJILDYTVAH-BRWVUGGUSA-N 1 0 409.555 4.708 40 0 HJABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219036720 568486124 /nfs/dbraw/zinc/48/61/24/568486124.db2.gz DCUHNKFETSLXOB-GOSISDBHSA-N 1 0 404.510 4.719 40 0 HJABRO O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224517638 568583406 /nfs/dbraw/zinc/58/34/06/568583406.db2.gz IIRXUCMCJQJTAX-UHFFFAOYSA-N 1 0 406.954 4.625 40 0 HJABRO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224686033 568592174 /nfs/dbraw/zinc/59/21/74/568592174.db2.gz GLHGPASJIJZQGU-JOCHJYFZSA-N 1 0 400.950 4.800 40 0 HJABRO CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000225288785 568627946 /nfs/dbraw/zinc/62/79/46/568627946.db2.gz YTJHCVVWFFJUED-RUZDIDTESA-N 1 0 422.569 4.835 40 0 HJABRO CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225623124 568658142 /nfs/dbraw/zinc/65/81/42/568658142.db2.gz MMBVSYDTAFZLBV-YOSAUDMPSA-N 1 0 404.595 4.967 40 0 HJABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225636668 568659059 /nfs/dbraw/zinc/65/90/59/568659059.db2.gz KNHXFUCDABLGTH-REHUZNOOSA-N 1 0 402.579 4.721 40 0 HJABRO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1)C1CC1 ZINC000225672875 568662785 /nfs/dbraw/zinc/66/27/85/568662785.db2.gz LNRVPQDYNMRIBY-DVECYGJZSA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225715136 568666921 /nfs/dbraw/zinc/66/69/21/568666921.db2.gz GMQQFSBSJNCBED-GBXCKJPGSA-N 1 0 402.579 4.721 40 0 HJABRO C[NH+](C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cn1 ZINC000225932561 568687108 /nfs/dbraw/zinc/68/71/08/568687108.db2.gz RPHOXIQBEGTOET-UHFFFAOYSA-N 1 0 401.938 4.516 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812579 568739948 /nfs/dbraw/zinc/73/99/48/568739948.db2.gz GWWAIPLRLWPOJE-MZLICYQSSA-N 1 0 402.579 4.721 40 0 HJABRO CCOc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257222082 568782536 /nfs/dbraw/zinc/78/25/36/568782536.db2.gz DRUWDVFPQUTCFQ-LJQANCHMSA-N 1 0 411.546 4.515 40 0 HJABRO O=C1N(Cc2ccc(F)cc2)CC=CCC12CC[NH+](Cc1ccc3[nH]ccc3c1)CC2 ZINC000257241811 568788096 /nfs/dbraw/zinc/78/80/96/568788096.db2.gz HZRSJBUWBJLRAT-UHFFFAOYSA-N 1 0 417.528 4.878 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000257283685 568799632 /nfs/dbraw/zinc/79/96/32/568799632.db2.gz OZJKIJXVMAEPKQ-MRXNPFEDSA-N 1 0 403.551 4.742 40 0 HJABRO Cc1nc([C@@H]2CC[N@H+](CC3CCCCC3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257287582 568800839 /nfs/dbraw/zinc/80/08/39/568800839.db2.gz PQNSCWRCVAVGLW-HXUWFJFHSA-N 1 0 424.564 4.783 40 0 HJABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](Cc4ccco4)C3)nn2c1 ZINC000306134210 568896186 /nfs/dbraw/zinc/89/61/86/568896186.db2.gz NFTOKLJOVKHYBP-KRWDZBQOSA-N 1 0 406.461 4.517 40 0 HJABRO O=C(Nc1ccccc1)c1cnn2c1nccc2[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000306136283 568898097 /nfs/dbraw/zinc/89/80/97/568898097.db2.gz POQMKVGAWOKTSH-FQEVSTJZSA-N 1 0 417.557 4.741 40 0 HJABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)[nH+]c(C(C)C)n1)C2 ZINC000328979634 568971058 /nfs/dbraw/zinc/97/10/58/568971058.db2.gz GIOQDJRDPZEHAJ-UHFFFAOYSA-N 1 0 408.546 4.694 40 0 HJABRO COc1cc2c(cc1OC)CN(c1cc(NC3CCCCC3)[nH+]c(C(C)C)n1)CC2 ZINC000329022129 568972984 /nfs/dbraw/zinc/97/29/84/568972984.db2.gz OKXCDNRBCVKGNI-UHFFFAOYSA-N 1 0 410.562 4.925 40 0 HJABRO CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2C[C@@H]2O[C@@H]3C[C@@H](C)C[NH2+][C@@H]3[C@H](C)[C@H]12 ZINC000584578773 569048716 /nfs/dbraw/zinc/04/87/16/569048716.db2.gz AROKXPQLAKZWRT-BQMYXNPLSA-N 1 0 411.630 4.858 40 0 HJABRO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCC[N@H+](Cc4ccncc4C)C3)cc2N1 ZINC000253602797 569318409 /nfs/dbraw/zinc/31/84/09/569318409.db2.gz RWCYJNURQPBREZ-YQVWRLOYSA-N 1 0 407.484 4.664 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCc2ccc(OC(C)C)cc2)CC1 ZINC000009062567 569342131 /nfs/dbraw/zinc/34/21/31/569342131.db2.gz RHPWVOIZBLETKN-UHFFFAOYSA-N 1 0 408.586 4.743 40 0 HJABRO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063284 569342296 /nfs/dbraw/zinc/34/22/96/569342296.db2.gz HZMSZQUADCOQMB-UHFFFAOYSA-N 1 0 402.991 4.602 40 0 HJABRO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063202 569342344 /nfs/dbraw/zinc/34/23/44/569342344.db2.gz IMLOIKHDZLZZRU-UHFFFAOYSA-N 1 0 402.991 4.602 40 0 HJABRO O=C(NCCSCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010331754 569343857 /nfs/dbraw/zinc/34/38/57/569343857.db2.gz KLYXRGZZZMWONJ-UHFFFAOYSA-N 1 0 402.991 4.989 40 0 HJABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019133387 569345348 /nfs/dbraw/zinc/34/53/48/569345348.db2.gz FFUFRNCBEZQEJL-WMZHIEFXSA-N 1 0 409.574 4.514 40 0 HJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019348959 569345482 /nfs/dbraw/zinc/34/54/82/569345482.db2.gz SWDNPTPLKQAUPZ-SQJMNOBHSA-N 1 0 409.549 4.871 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000019565059 569345612 /nfs/dbraw/zinc/34/56/12/569345612.db2.gz KRJQTASYDODNQU-WMZHIEFXSA-N 1 0 421.566 4.535 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000019577333 569345738 /nfs/dbraw/zinc/34/57/38/569345738.db2.gz SLWQLUZMKVLMLA-XUZZJYLKSA-N 1 0 423.601 4.823 40 0 HJABRO COc1cccc2cc(C[N@@H+]3CC[C@H](c4cc(COc5ccccc5)[nH]n4)C3)oc21 ZINC000019704278 569347519 /nfs/dbraw/zinc/34/75/19/569347519.db2.gz QKUMSPHYZGOSRM-SFHVURJKSA-N 1 0 403.482 4.733 40 0 HJABRO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000019705442 569347999 /nfs/dbraw/zinc/34/79/99/569347999.db2.gz LIGQEHHEFSYMRR-QFIPXVFZSA-N 1 0 406.567 4.542 40 0 HJABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3ccnc(NC)c3)cc2)C1 ZINC000019711858 569348274 /nfs/dbraw/zinc/34/82/74/569348274.db2.gz QSNRBVQNTFTSNI-ZLNRFVROSA-N 1 0 424.589 4.962 40 0 HJABRO COc1ccc(-c2cc(C(=O)Nc3cccc(C[NH+]4CCC(C)CC4)c3)no2)cc1 ZINC000141564137 569354848 /nfs/dbraw/zinc/35/48/48/569354848.db2.gz NZJKQHKRLBYPDT-UHFFFAOYSA-N 1 0 405.498 4.834 40 0 HJABRO COc1ccc(C[NH2+][C@@H]2C=C[C@@H](c3c(C)nn(-c4ccc(OC)cc4)c3C)C2)cc1 ZINC000008624121 291277378 /nfs/dbraw/zinc/27/73/78/291277378.db2.gz UFLAFZKAIRCMJG-NHCUHLMSSA-N 1 0 403.526 4.708 40 0 biogenic,in-vitro HJABRO COc1ccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(Cl)cc5)c43)C2)cc1 ZINC000004237520 291277387 /nfs/dbraw/zinc/27/73/87/291277387.db2.gz HOXBLNZFQKFWKV-AZUAARDMSA-N 1 0 420.940 4.797 40 0 biogenic,in-vitro HJABRO COc1cccc2ccc(C[N@H+](CCCn3ccnc3)Cc3ccc(C)s3)nc21 ZINC000043277882 524261918 /nfs/dbraw/zinc/26/19/18/524261918.db2.gz WMMSOXPEPHPCCJ-UHFFFAOYSA-N 1 0 406.555 4.902 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)c1 ZINC000044855373 524387045 /nfs/dbraw/zinc/38/70/45/524387045.db2.gz FLBDHGNGJGWXPA-HSZRJFAPSA-N 1 0 406.570 4.934 40 0 HJABRO COc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccc(C)cc3)CC1)CC(C)(C)O2 ZINC000044855522 525574812 /nfs/dbraw/zinc/57/48/12/525574812.db2.gz RGTCKNQKUFYXNX-QHCPKHFHSA-N 1 0 422.569 4.634 40 0 HJABRO COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000408608056 557517650 /nfs/dbraw/zinc/51/76/50/557517650.db2.gz MKILZCCIXCQQBR-UHFFFAOYSA-N 1 0 412.961 4.867 40 0 HJABRO CCCC[NH+](CCCC)CN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O ZINC000408726610 557780604 /nfs/dbraw/zinc/78/06/04/557780604.db2.gz MZNRTZWHPHLLSX-XMHGGMMESA-N 1 0 406.548 4.600 40 0 HJABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012293485 558366427 /nfs/dbraw/zinc/36/64/27/558366427.db2.gz KAJQPPIXJILCML-ZEQRLZLVSA-N 1 0 403.522 4.532 40 0 HJABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293599 558366707 /nfs/dbraw/zinc/36/67/07/558366707.db2.gz IVUFUDXYAVTLJF-JWQCQUIFSA-N 1 0 417.549 4.841 40 0 HJABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293618 558366794 /nfs/dbraw/zinc/36/67/94/558366794.db2.gz PDVZPDYYEXQMRW-BJKOFHAPSA-N 1 0 403.522 4.532 40 0 HJABRO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]([NH+]5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118918645 558545397 /nfs/dbraw/zinc/54/53/97/558545397.db2.gz QZQARKHEFRUGSK-MSCMAPCGSA-N 1 0 415.618 4.994 40 0 HJABRO CC1CC[NH+](Cc2cccc(NC(=O)[C@]3(C)CC(c4ccccc4F)=NO3)c2)CC1 ZINC000141566939 558651425 /nfs/dbraw/zinc/65/14/25/558651425.db2.gz HXVMYSQBBNWGGV-DEOSSOPVSA-N 1 0 409.505 4.579 40 0 HJABRO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039761892 558685566 /nfs/dbraw/zinc/68/55/66/558685566.db2.gz WQGIVCZIUHGMSO-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000039753492 558687291 /nfs/dbraw/zinc/68/72/91/558687291.db2.gz LRSOPVNOSSPRIE-LJQANCHMSA-N 1 0 410.558 4.573 40 0 HJABRO CC1CC[NH+](Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)CC1 ZINC000030751595 558736026 /nfs/dbraw/zinc/73/60/26/558736026.db2.gz BLYAJSOAQCPVNJ-UHFFFAOYSA-N 1 0 411.977 4.534 40 0 HJABRO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833931 558817286 /nfs/dbraw/zinc/81/72/86/558817286.db2.gz JZOXUMKJFLECCL-OAHLLOKOSA-N 1 0 407.739 4.953 40 0 HJABRO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833993 558817451 /nfs/dbraw/zinc/81/74/51/558817451.db2.gz MUNLQWGYVMXBNU-OAHLLOKOSA-N 1 0 407.739 4.953 40 0 HJABRO Cc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1 ZINC000019239514 558858092 /nfs/dbraw/zinc/85/80/92/558858092.db2.gz HQGVALUAZOPNKE-OTWHNJEPSA-N 1 0 417.548 4.787 40 0 HJABRO O=C(NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCCC2)CC1)c1[nH]ncc1Cl ZINC000019369238 558877681 /nfs/dbraw/zinc/87/76/81/558877681.db2.gz LPXYLNCGFLCOQI-FQEVSTJZSA-N 1 0 414.981 4.621 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019370377 558878638 /nfs/dbraw/zinc/87/86/38/558878638.db2.gz RUFPBGWSYMMBBG-BKMJKUGQSA-N 1 0 417.528 4.533 40 0 HJABRO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21 ZINC000019401841 558883798 /nfs/dbraw/zinc/88/37/98/558883798.db2.gz XIEOTXHFOJQSIT-DNVJHFABSA-N 1 0 409.599 4.540 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449598 558887957 /nfs/dbraw/zinc/88/79/57/558887957.db2.gz JNQPRHOUNYYZGN-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449558 558887965 /nfs/dbraw/zinc/88/79/65/558887965.db2.gz WFUPEHJVMOGTTL-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449647 558888227 /nfs/dbraw/zinc/88/82/27/558888227.db2.gz YCPRUTBGJVWZLL-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)Oc1ccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 ZINC000019450596 558889133 /nfs/dbraw/zinc/88/91/33/558889133.db2.gz LTUHUMMRPGRIHN-DEOSSOPVSA-N 1 0 423.601 4.984 40 0 HJABRO CC1(C)CC(N(Cc2ccncc2)Cc2ccc(N3CCCC3=O)cc2)CC(C)(C)[NH2+]1 ZINC000019460997 558893547 /nfs/dbraw/zinc/89/35/47/558893547.db2.gz FXPGHRWTHZZVND-UHFFFAOYSA-N 1 0 420.601 4.520 40 0 HJABRO CCOc1ccc(C[N@H+](Cc2ccncc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019533177 558912988 /nfs/dbraw/zinc/91/29/88/558912988.db2.gz KSVUQSVOBZJVEV-LOSJGSFVSA-N 1 0 406.501 4.804 40 0 HJABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)cc1 ZINC000019554953 558917948 /nfs/dbraw/zinc/91/79/48/558917948.db2.gz DGOMQHRNEYMSBI-SANMLTNESA-N 1 0 421.585 4.740 40 0 HJABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019568960 558928035 /nfs/dbraw/zinc/92/80/35/558928035.db2.gz NCCGPZKAXYQFCC-XXBNENTESA-N 1 0 421.566 4.535 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 ZINC000072341443 558939780 /nfs/dbraw/zinc/93/97/80/558939780.db2.gz QCWKLVUBLXGGEI-IRLDBZIGSA-N 1 0 421.566 4.535 40 0 HJABRO CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](CC2CCCCC2)CC1 ZINC000072345259 558941663 /nfs/dbraw/zinc/94/16/63/558941663.db2.gz QEUJNHMYUWEASR-UHFFFAOYSA-N 1 0 405.586 4.700 40 0 HJABRO CNc1cc([C@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 ZINC000019592281 558943337 /nfs/dbraw/zinc/94/33/37/558943337.db2.gz CMECGYQXJOWFFU-FQEVSTJZSA-N 1 0 410.525 4.508 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccc(Nc4ncccn4)cn3)C2)c2cc(F)ccc21 ZINC000072353452 558950514 /nfs/dbraw/zinc/95/05/14/558950514.db2.gz VNVVSRIRXYWMSG-KRWDZBQOSA-N 1 0 416.504 4.626 40 0 HJABRO COc1cccc(CN2CC=CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2=O)c1 ZINC000072371056 558957660 /nfs/dbraw/zinc/95/76/60/558957660.db2.gz FGBDFEIETZYPPX-SANMLTNESA-N 1 0 418.581 4.555 40 0 HJABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c(C)n1 ZINC000072372461 558959941 /nfs/dbraw/zinc/95/99/41/558959941.db2.gz XWVQNJFULJLGNT-VWLOTQADSA-N 1 0 404.558 4.851 40 0 HJABRO CCn1ncc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c1C ZINC000019694355 558962704 /nfs/dbraw/zinc/96/27/04/558962704.db2.gz VDXSSUNNWWFJDM-JOCHJYFZSA-N 1 0 422.552 4.601 40 0 HJABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072376050 558965183 /nfs/dbraw/zinc/96/51/83/558965183.db2.gz RGOGEKNNPFBWHA-NRFANRHFSA-N 1 0 415.541 4.867 40 0 HJABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000072376100 558965424 /nfs/dbraw/zinc/96/54/24/558965424.db2.gz SEHHMYICDGBTPP-HXUWFJFHSA-N 1 0 412.541 4.864 40 0 HJABRO CCC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@H+](C)C[C@@H](C)c2ccccc2)C1 ZINC000072395285 558974061 /nfs/dbraw/zinc/97/40/61/558974061.db2.gz PAQLLIFNTBUBHQ-TZIWHRDSSA-N 1 0 418.585 4.914 40 0 HJABRO COc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)cc1 ZINC000096052761 559092399 /nfs/dbraw/zinc/09/23/99/559092399.db2.gz VIGZRICNOOXBMD-NRFANRHFSA-N 1 0 418.581 4.775 40 0 HJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053381 559093299 /nfs/dbraw/zinc/09/32/99/559093299.db2.gz NRQJEGQJMRUPBH-LJQANCHMSA-N 1 0 410.583 4.708 40 0 HJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053377 559093361 /nfs/dbraw/zinc/09/33/61/559093361.db2.gz YEEIVZRHFZXWKY-GOSISDBHSA-N 1 0 410.583 4.708 40 0 HJABRO O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CC[NH+](Cc1ccc(Cl)cc1)CC2 ZINC000096089449 559095142 /nfs/dbraw/zinc/09/51/42/559095142.db2.gz AIYSEEPUXNBNCK-UHFFFAOYSA-N 1 0 403.353 4.661 40 0 HJABRO O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1N(Cc1ccccc1)Cc1cccc(F)c1 ZINC000585261194 559108799 /nfs/dbraw/zinc/10/87/99/559108799.db2.gz CWXFRSJHZKIYLF-TWJOJJKGSA-N 1 0 404.529 4.510 40 0 HJABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@H]1c1ccc(CNC(C)=O)cn1 ZINC000585261841 559109497 /nfs/dbraw/zinc/10/94/97/559109497.db2.gz VGAVYXJTUKBZBU-VWLOTQADSA-N 1 0 415.537 4.730 40 0 HJABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3ccco3)C2)[nH+]1 ZINC000585292697 559124265 /nfs/dbraw/zinc/12/42/65/559124265.db2.gz RCGKQJAKJCJVPP-JBVUFVISSA-N 1 0 402.498 4.849 40 0 HJABRO COc1ccccc1C1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c2cccnc2[nH]c1C(C)C ZINC000100736605 559138835 /nfs/dbraw/zinc/13/88/35/559138835.db2.gz QTZNSODDRJGBOH-OXUKXLDXSA-N 1 0 405.542 4.710 40 0 HJABRO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(CO)[C@@H]12 ZINC000118936394 559206603 /nfs/dbraw/zinc/20/66/03/559206603.db2.gz NMFWDNZLNHRNAT-WQTXETNISA-N 1 0 413.646 4.627 40 0 HJABRO Cc1cc(C)cc(-c2cccc(CC3(C(=O)N[C@@H]4CCC[N@@H+](C)C4)CCOCC3)c2)c1 ZINC000257202995 559282474 /nfs/dbraw/zinc/28/24/74/559282474.db2.gz AOESKDGMSPQFTI-RUZDIDTESA-N 1 0 420.597 4.520 40 0 HJABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3ccccc3C)n2)cc1 ZINC000004169385 560602423 /nfs/dbraw/zinc/60/24/23/560602423.db2.gz ZHPZSHVMZHNSBW-UHFFFAOYSA-N 1 0 409.555 4.726 40 0 HJABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3ccccc3F)n2)cc1 ZINC000004169391 560602425 /nfs/dbraw/zinc/60/24/25/560602425.db2.gz WADIRGDZYGASFZ-UHFFFAOYSA-N 1 0 413.518 4.556 40 0 HJABRO COc1ccc(C(=O)N(CCC[NH+](C)C)c2nc(-c3ccc(F)cc3)cs2)cc1 ZINC000004215045 560603946 /nfs/dbraw/zinc/60/39/46/560603946.db2.gz DTODTOOILQSSBA-UHFFFAOYSA-N 1 0 413.518 4.556 40 0 HJABRO COc1cc2cc(CNc3ccc([NH+]4C[C@@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2cc1OC ZINC000013563115 560816122 /nfs/dbraw/zinc/81/61/22/560816122.db2.gz DZJRJALLTABBSH-IRXDYDNUSA-N 1 0 421.541 4.640 40 0 HJABRO COc1c(Br)cc(Br)cc1C[NH2+]CCc1ccccc1F ZINC000016194490 560859521 /nfs/dbraw/zinc/85/95/21/560859521.db2.gz PUNFGGGLXQPWSP-UHFFFAOYSA-N 1 0 417.116 4.692 40 0 HJABRO Cc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020121609 560880847 /nfs/dbraw/zinc/88/08/47/560880847.db2.gz ZKCFCARIMYYOFO-DEOSSOPVSA-N 1 0 422.621 4.526 40 0 HJABRO CCOc1ccc(N(CC(=O)c2ccc(OC)c(OC)c2)C2=NCCCCC2)cc1 ZINC000006870348 568462893 /nfs/dbraw/zinc/46/28/93/568462893.db2.gz NJJPUNRLEGHFEV-UHFFFAOYSA-N 1 0 410.514 4.764 40 0 HJABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc2)CC1 ZINC000219235926 568488276 /nfs/dbraw/zinc/48/82/76/568488276.db2.gz UCIOPQGQQOKXIA-UHFFFAOYSA-N 1 0 424.932 4.552 40 0 HJABRO CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1cccs1 ZINC000057942892 568498341 /nfs/dbraw/zinc/49/83/41/568498341.db2.gz CANAPCDGVFAJPO-UHFFFAOYSA-N 1 0 405.155 4.962 40 0 HJABRO COC(=O)c1cn(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc12 ZINC000222639984 568521960 /nfs/dbraw/zinc/52/19/60/568521960.db2.gz WOCFWGHFMQDTGG-KRWDZBQOSA-N 1 0 410.901 4.634 40 0 HJABRO S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1C1CCCCC1 ZINC000223086421 568537034 /nfs/dbraw/zinc/53/70/34/568537034.db2.gz FPODIQQJFLFBDS-FGZHOGPDSA-N 1 0 403.555 4.573 40 0 HJABRO O=C(NCCOc1ccc(Cl)cc1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223414722 568548090 /nfs/dbraw/zinc/54/80/90/568548090.db2.gz KEPVXJDCXZRYQM-UHFFFAOYSA-N 1 0 420.940 4.707 40 0 HJABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000223415935 568548152 /nfs/dbraw/zinc/54/81/52/568548152.db2.gz QBKILIFEBQRMLY-UHFFFAOYSA-N 1 0 414.549 4.671 40 0 HJABRO CC1CC[NH+](Cc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)CC1 ZINC000223547517 568551536 /nfs/dbraw/zinc/55/15/36/568551536.db2.gz WPQLDESIHOSTHD-UHFFFAOYSA-N 1 0 402.538 4.881 40 0 HJABRO Cc1cccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1C ZINC000223900148 568562460 /nfs/dbraw/zinc/56/24/60/568562460.db2.gz GMKWIQBUXGENOG-UHFFFAOYSA-N 1 0 414.549 4.671 40 0 HJABRO O=C(Nc1ccc(Cc2ccncc2)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000224553424 568584913 /nfs/dbraw/zinc/58/49/13/568584913.db2.gz UHRTWHKNLHOOOG-UHFFFAOYSA-N 1 0 403.501 4.662 40 0 HJABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224676722 568592004 /nfs/dbraw/zinc/59/20/04/568592004.db2.gz MOGXMSQAPDTVBJ-FQEVSTJZSA-N 1 0 402.538 4.909 40 0 HJABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682814 568592181 /nfs/dbraw/zinc/59/21/81/568592181.db2.gz ZHBIIKMQYPHPSH-QFIPXVFZSA-N 1 0 400.950 4.800 40 0 HJABRO Cc1ccc(-c2nnc(NC(=O)[C@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)s2)cc1 ZINC000224727082 568593806 /nfs/dbraw/zinc/59/38/06/568593806.db2.gz UVHUXBYOZKLUNR-SFHVURJKSA-N 1 0 410.518 4.503 40 0 HJABRO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224800917 568597377 /nfs/dbraw/zinc/59/73/77/568597377.db2.gz BWWPBIKCPAWRJD-QFIPXVFZSA-N 1 0 400.950 4.718 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)CC2)cc1 ZINC000225166038 568619831 /nfs/dbraw/zinc/61/98/31/568619831.db2.gz LLBHSBCLGLPOKG-UHFFFAOYSA-N 1 0 423.582 4.803 40 0 HJABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1 ZINC000225569236 568652086 /nfs/dbraw/zinc/65/20/86/568652086.db2.gz GEYKPYGZYUTLOE-UHFFFAOYSA-N 1 0 424.585 4.793 40 0 HJABRO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)s1 ZINC000225716861 568667350 /nfs/dbraw/zinc/66/73/50/568667350.db2.gz YEDVXUMCPHPBFV-UHFFFAOYSA-N 1 0 410.996 4.543 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225720405 568667793 /nfs/dbraw/zinc/66/77/93/568667793.db2.gz MRTGBXOUENEFRR-IYZJKTGWSA-N 1 0 416.606 4.967 40 0 HJABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000260812451 568739978 /nfs/dbraw/zinc/73/99/78/568739978.db2.gz BWGUMYLBEUQVIQ-JXQFQVJHSA-N 1 0 402.579 4.577 40 0 HJABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cccc(Nc4ccccn4)n3)CC2)cc1 ZINC000257214212 568780219 /nfs/dbraw/zinc/78/02/19/568780219.db2.gz CLCFNJWZRJSIPZ-UHFFFAOYSA-N 1 0 401.514 4.558 40 0 HJABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](CC2CCCCC2)CC1 ZINC000257243188 568788232 /nfs/dbraw/zinc/78/82/32/568788232.db2.gz IFVJBTSWQZNVRM-UHFFFAOYSA-N 1 0 405.586 4.700 40 0 HJABRO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@@H]3Cc2ccccc2)[nH]n1 ZINC000257248599 568789858 /nfs/dbraw/zinc/78/98/58/568789858.db2.gz JEJHSKXBPKFBPZ-CAIUVPPLSA-N 1 0 420.601 4.622 40 0 HJABRO Cc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257257116 568791994 /nfs/dbraw/zinc/79/19/94/568791994.db2.gz KODICGCZQMNFKE-LJQANCHMSA-N 1 0 401.514 4.560 40 0 HJABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCCCC[NH+]3CCCC3)ccc1OC2(C)C ZINC000257328039 568812701 /nfs/dbraw/zinc/81/27/01/568812701.db2.gz XDVVJAYJHMGNLT-MISYRCLQSA-N 1 0 414.590 4.689 40 0 HJABRO Oc1cccc2c1OC1(CC[NH+](Cc3ccc4cc[nH]c4c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257341167 568816369 /nfs/dbraw/zinc/81/63/69/568816369.db2.gz ZJCIKQUXOLZURA-NZQKXSOJSA-N 1 0 404.510 4.768 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000247848265 569315535 /nfs/dbraw/zinc/31/55/35/569315535.db2.gz HVAAQCQXBXDJRA-PLXFJCCSSA-N 1 0 403.570 4.550 40 0 HJABRO CNC(=O)[C@@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000247948580 569315798 /nfs/dbraw/zinc/31/57/98/569315798.db2.gz KVVHGIDFPXOQHE-KDYSTLNUSA-N 1 0 413.565 4.533 40 0 HJABRO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1OCC ZINC000009062543 569342152 /nfs/dbraw/zinc/34/21/52/569342152.db2.gz KWCBXOMUSLEACS-HXUWFJFHSA-N 1 0 424.585 4.882 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019555107 569345666 /nfs/dbraw/zinc/34/56/66/569345666.db2.gz PAWMKIITWCDBRX-AUSIDOKSSA-N 1 0 421.566 4.535 40 0 HJABRO CCC[N@@H+]1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 ZINC000019705438 569347993 /nfs/dbraw/zinc/34/79/93/569347993.db2.gz LBRJEIZTYULPJM-NRFANRHFSA-N 1 0 408.995 4.810 40 0 HJABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1cccc(C)c1 ZINC000019713520 569348357 /nfs/dbraw/zinc/34/83/57/569348357.db2.gz BMLVSLMGGZTAGJ-RPBOFIJWSA-N 1 0 422.617 4.935 40 0 HJABRO Cc1nc([C@@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1CCOc1ccccc1 ZINC000019738739 569348601 /nfs/dbraw/zinc/34/86/01/569348601.db2.gz GVNOERWHFFLDMY-HSZRJFAPSA-N 1 0 402.604 4.793 40 0 HJABRO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855214 569351990 /nfs/dbraw/zinc/35/19/90/569351990.db2.gz FEHJMIGOEQMILR-UGKGYDQZSA-N 1 0 410.533 4.765 40 0 HJABRO COc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2SC[C@@H]3C)cc1 ZINC000027788659 569395190 /nfs/dbraw/zinc/39/51/90/569395190.db2.gz CFYDGJHHXBNPOP-ZDUSSCGKSA-N 1 0 402.337 4.870 40 0 HJABRO CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3C[NH2+]CC(C)C)nc(-c2ccncc2)n1 ZINC000039960756 291274440 /nfs/dbraw/zinc/27/44/40/291274440.db2.gz HKIUKZSATOGCOC-ZRBLBEILSA-N 1 0 421.633 4.866 40 0 biogenic,in-vitro HJABRO Fc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(-c4ccncc4)nc3)no2)cc1 ZINC000049155482 291280038 /nfs/dbraw/zinc/28/00/38/291280038.db2.gz VWWQZFKDDGOMIA-NRFANRHFSA-N 1 0 401.445 4.670 40 0 biogenic,in-vitro HJABRO Cc1ccc([C@H](C)CC[NH+]2CCN(c3c(F)cccc3[C@H](O)c3cccnc3)CC2)o1 ZINC000012089608 132353988 /nfs/dbraw/zinc/35/39/88/132353988.db2.gz PDANRJHWMXIYOU-IQGLISFBSA-N 1 0 423.532 4.520 40 0 HJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225738808 520277459 /nfs/dbraw/zinc/27/74/59/520277459.db2.gz HOFCTQOZOSTGMY-REHUZNOOSA-N 1 0 404.595 4.967 40 0 HJABRO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c2ccccc2O1 ZINC000044918356 520547027 /nfs/dbraw/zinc/54/70/27/520547027.db2.gz LLMPTVIJSMXOAB-NRFANRHFSA-N 1 0 412.961 4.971 40 0 HJABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000044851433 520945276 /nfs/dbraw/zinc/94/52/76/520945276.db2.gz SIRLMHAQDBIMJV-UHFFFAOYSA-N 1 0 414.977 4.700 40 0 HJABRO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1OCC ZINC000044905195 520998367 /nfs/dbraw/zinc/99/83/67/520998367.db2.gz NBRNUWHEEVPICV-UHFFFAOYSA-N 1 0 410.558 4.790 40 0 HJABRO CCOc1cccc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000020483578 521356665 /nfs/dbraw/zinc/35/66/65/521356665.db2.gz NNYOWRCTZZQVJK-UHFFFAOYSA-N 1 0 400.522 4.574 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000044939830 521509504 /nfs/dbraw/zinc/50/95/04/521509504.db2.gz KFEOYCLDGTWTLK-MRXNPFEDSA-N 1 0 418.896 4.507 40 0 HJABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875310 522884158 /nfs/dbraw/zinc/88/41/58/522884158.db2.gz BPQAWRXIPQYKQY-QFIPXVFZSA-N 1 0 400.950 4.800 40 0 HJABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872934 522887163 /nfs/dbraw/zinc/88/71/63/522887163.db2.gz SKFRKWHHZHPBLR-DEOSSOPVSA-N 1 0 402.538 4.909 40 0 HJABRO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@@H+]3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 ZINC000044855569 525587277 /nfs/dbraw/zinc/58/72/77/525587277.db2.gz RLBRFBLRJFYDAH-WZONZLPQSA-N 1 0 422.569 4.959 40 0 HJABRO O=C(CSCc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873324 527023044 /nfs/dbraw/zinc/02/30/44/527023044.db2.gz ULYOQTPJFAYSND-UHFFFAOYSA-N 1 0 402.991 4.876 40 0 HJABRO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408608020 557521970 /nfs/dbraw/zinc/52/19/70/557521970.db2.gz LTVTTZADOYHOPS-SANMLTNESA-N 1 0 410.561 4.868 40 0 HJABRO O=C(OCC[NH+]1CCCCC1)[C@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000006582650 557709060 /nfs/dbraw/zinc/70/90/60/557709060.db2.gz BXGAZMHAVGAZRZ-MHZLTWQESA-N 1 0 415.533 4.619 40 0 HJABRO COc1cc(C[NH2+]Cc2ccncc2)cc(Br)c1OCc1ccccc1 ZINC000007274913 557738603 /nfs/dbraw/zinc/73/86/03/557738603.db2.gz ZHNVLFSXRXIKNT-UHFFFAOYSA-N 1 0 413.315 4.722 40 0 HJABRO COc1ccc(C(=O)N2CCC(c3[nH+]c4ccccn4c3NC(C)(C)C)CC2)s1 ZINC000012127868 558331603 /nfs/dbraw/zinc/33/16/03/558331603.db2.gz NDGXDISXNNBFCW-UHFFFAOYSA-N 1 0 412.559 4.635 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSCc3ccccc3Cl)CC2)c1 ZINC000039762757 558685553 /nfs/dbraw/zinc/68/55/53/558685553.db2.gz GOZJOHOSVCMXQN-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OCC ZINC000039756948 558687846 /nfs/dbraw/zinc/68/78/46/558687846.db2.gz ZUJBJZUYPWLTHR-HXUWFJFHSA-N 1 0 424.585 4.882 40 0 HJABRO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(CSc4ccccc4)cc3)cc2)CC1 ZINC000033585233 558770482 /nfs/dbraw/zinc/77/04/82/558770482.db2.gz BOHOTTLEAXYUDQ-UHFFFAOYSA-N 1 0 417.578 4.983 40 0 HJABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000016449949 558792118 /nfs/dbraw/zinc/79/21/18/558792118.db2.gz CTMVKODOQQDHQS-KRWDZBQOSA-N 1 0 410.739 4.950 40 0 HJABRO Cc1ccc2occ(CN(Cc3ccncc3)C3CC(C)(C)[NH2+]C(C)(C)C3)c(=O)c2c1 ZINC000036740550 558801819 /nfs/dbraw/zinc/80/18/19/558801819.db2.gz VLKVEAJGEGIBET-UHFFFAOYSA-N 1 0 419.569 4.808 40 0 HJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000038756129 558814826 /nfs/dbraw/zinc/81/48/26/558814826.db2.gz HLQJGHUKZBGIMZ-INIZCTEOSA-N 1 0 402.560 4.665 40 0 HJABRO O=C(NCCSCc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038836994 558818180 /nfs/dbraw/zinc/81/81/80/558818180.db2.gz IXNHLSUTNVCVPI-HXUWFJFHSA-N 1 0 402.991 4.602 40 0 HJABRO O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848488 558818335 /nfs/dbraw/zinc/81/83/35/558818335.db2.gz POOQJOPODHSENP-LJQANCHMSA-N 1 0 420.981 4.741 40 0 HJABRO Cc1ccccc1CSCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038852958 558819080 /nfs/dbraw/zinc/81/90/80/558819080.db2.gz GGMUDCCADSRRHY-FQEVSTJZSA-N 1 0 417.018 4.910 40 0 HJABRO CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038855171 558819243 /nfs/dbraw/zinc/81/92/43/558819243.db2.gz WVBDWYJDVXQJES-IBGZPJMESA-N 1 0 407.558 4.557 40 0 HJABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccccc3F)CC[C@H]21 ZINC000019081652 558839833 /nfs/dbraw/zinc/83/98/33/558839833.db2.gz ZTWPWFFKHDSGNX-SFHLNBCPSA-N 1 0 400.563 4.750 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019236875 558856144 /nfs/dbraw/zinc/85/61/44/558856144.db2.gz ZRDXYACAOGFASE-RUZDIDTESA-N 1 0 417.528 4.912 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019370365 558878528 /nfs/dbraw/zinc/87/85/28/558878528.db2.gz DEONCXUXOAKGMU-ATIYNZHBSA-N 1 0 417.528 4.533 40 0 HJABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019376083 558882325 /nfs/dbraw/zinc/88/23/25/558882325.db2.gz BHBOGBVOYMTWLL-IBGZPJMESA-N 1 0 418.541 4.665 40 0 HJABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 ZINC000019564871 558925090 /nfs/dbraw/zinc/92/50/90/558925090.db2.gz AKRUZPOZNCMKMX-HSZRJFAPSA-N 1 0 421.566 4.535 40 0 HJABRO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019568963 558928092 /nfs/dbraw/zinc/92/80/92/558928092.db2.gz NCCGPZKAXYQFCC-AUSIDOKSSA-N 1 0 421.566 4.535 40 0 HJABRO COc1ccccc1C[NH+]1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)CC1 ZINC000019575012 558932575 /nfs/dbraw/zinc/93/25/75/558932575.db2.gz VXIJXAWZJXIJMR-AUUYWEPGSA-N 1 0 408.468 4.579 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000072341435 558939735 /nfs/dbraw/zinc/93/97/35/558939735.db2.gz ZGFPMJITQAXRLK-FPOVZHCZSA-N 1 0 409.530 4.666 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000072358133 558953878 /nfs/dbraw/zinc/95/38/78/558953878.db2.gz DVAYMWBIQPAICT-NRFANRHFSA-N 1 0 400.448 4.762 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c1C ZINC000019687434 558957259 /nfs/dbraw/zinc/95/72/59/558957259.db2.gz JTNCHDMFSWPXBR-OAQYLSRUSA-N 1 0 424.980 4.725 40 0 HJABRO COc1ccccc1OCCc1cc([C@@H]2CC[N@H+](C/C(C)=C/c3ccccc3)C2)[nH]n1 ZINC000072371558 558958422 /nfs/dbraw/zinc/95/84/22/558958422.db2.gz CTKUNJVSUCVAOV-QMZMWQIVSA-N 1 0 417.553 4.933 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncccc3C)n2)cc1CO ZINC000072375813 558964809 /nfs/dbraw/zinc/96/48/09/558964809.db2.gz VDVIIUIFCAMUDZ-JOCHJYFZSA-N 1 0 418.541 4.757 40 0 HJABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393720 558973075 /nfs/dbraw/zinc/97/30/75/558973075.db2.gz JORVYSRPPYSVKV-OOEJVQDLSA-N 1 0 405.542 4.710 40 0 HJABRO COc1ccc(-c2cccc(C[N@@H+]3CCC[C@@H]3c3ccc(C(N)=O)c(C)n3)c2)cc1 ZINC000019711144 558973218 /nfs/dbraw/zinc/97/32/18/558973218.db2.gz AQPJOVNHMACDRM-XMMPIXPASA-N 1 0 401.510 4.502 40 0 HJABRO Cc1nc(C[NH+]2CCC3(C[C@H](CC(=O)NC4CCC4)c4ccccc43)CC2)cs1 ZINC000096052757 559092370 /nfs/dbraw/zinc/09/23/70/559092370.db2.gz RZSFVWPAWOEZSZ-SFHVURJKSA-N 1 0 409.599 4.531 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC2CC2)c2ccccc2O3)s1 ZINC000096053427 559093411 /nfs/dbraw/zinc/09/34/11/559093411.db2.gz YURHYTKUHVLWJX-GOSISDBHSA-N 1 0 410.583 4.626 40 0 HJABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3ccsc3)CC1)nc2-c1cnn(C)c1 ZINC000096100046 559095427 /nfs/dbraw/zinc/09/54/27/559095427.db2.gz VQOCIMBMNJCIBR-UHFFFAOYSA-N 1 0 420.586 4.854 40 0 HJABRO O=C(Nc1ccccc1)N1C[C@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096245600 559105193 /nfs/dbraw/zinc/10/51/93/559105193.db2.gz MBKQVMDLCDLFBL-DNQXCXABSA-N 1 0 411.549 4.914 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 ZINC000096315923 559109684 /nfs/dbraw/zinc/10/96/84/559109684.db2.gz OKDWTPCTOVUPTH-HSZRJFAPSA-N 1 0 417.557 4.731 40 0 HJABRO O=C(C[NH+]1CCCCCC1)Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2 ZINC000000823167 559281405 /nfs/dbraw/zinc/28/14/05/559281405.db2.gz KPBCAKXUNABWSJ-UHFFFAOYSA-N 1 0 400.526 4.744 40 0 HJABRO CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+](CC)CC)cc2)cc1 ZINC000006629115 560744490 /nfs/dbraw/zinc/74/44/90/560744490.db2.gz SUGQWQCLCNHDQY-UHFFFAOYSA-N 1 0 413.587 4.834 40 0 HJABRO CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1Br ZINC000006595873 560745070 /nfs/dbraw/zinc/74/50/70/560745070.db2.gz LQGVQBMRKNGPEI-UHFFFAOYSA-N 1 0 403.320 4.696 40 0 HJABRO COc1cc(C[NH2+]Cc2ccccc2)cc(Br)c1OCc1cccnc1 ZINC000007274939 560750195 /nfs/dbraw/zinc/75/01/95/560750195.db2.gz OBKKVSFHWGVNNJ-UHFFFAOYSA-N 1 0 413.315 4.722 40 0 HJABRO C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000219052174 568486354 /nfs/dbraw/zinc/48/63/54/568486354.db2.gz JQQQYRPTBIJMJL-GOSISDBHSA-N 1 0 404.510 4.719 40 0 HJABRO CC1CC[NH+](Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)CC1 ZINC000219236029 568488363 /nfs/dbraw/zinc/48/83/63/568488363.db2.gz WTVRSLVQYOYZLT-UHFFFAOYSA-N 1 0 424.932 4.552 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2ccc3ccccc3c2)CC1 ZINC000223625282 568553733 /nfs/dbraw/zinc/55/37/33/568553733.db2.gz QKAAQYZCSXRMMH-UHFFFAOYSA-N 1 0 402.538 4.555 40 0 HJABRO CC(C)c1ccccc1OCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223826280 568560064 /nfs/dbraw/zinc/56/00/64/568560064.db2.gz CUSSSVWTAGNGAN-HXUWFJFHSA-N 1 0 414.977 4.871 40 0 HJABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1Cl ZINC000224167910 568572281 /nfs/dbraw/zinc/57/22/81/568572281.db2.gz MCKGERFJOISUBZ-UHFFFAOYSA-N 1 0 421.368 4.709 40 0 HJABRO Cc1cc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000224534878 568584015 /nfs/dbraw/zinc/58/40/15/568584015.db2.gz CKWKANWEZDOKAZ-SFHVURJKSA-N 1 0 400.950 4.718 40 0 HJABRO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224636473 568589833 /nfs/dbraw/zinc/58/98/33/568589833.db2.gz GMXRNHMQYDJQRT-JOCHJYFZSA-N 1 0 400.950 4.718 40 0 HJABRO O=C(CSCc1ccccc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224806635 568597941 /nfs/dbraw/zinc/59/79/41/568597941.db2.gz URBXQXRRSLCYMY-UHFFFAOYSA-N 1 0 402.991 4.876 40 0 HJABRO CCn1c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2sc1=O ZINC000225105293 568614807 /nfs/dbraw/zinc/61/48/07/568614807.db2.gz KJCKFEUDLLRYJZ-MRXNPFEDSA-N 1 0 409.555 4.567 40 0 HJABRO CO[C@@]1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225635635 568658926 /nfs/dbraw/zinc/65/89/26/568658926.db2.gz NIUCCHZYCQURBK-FDGPYGQJSA-N 1 0 402.579 4.577 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225635661 568659034 /nfs/dbraw/zinc/65/90/34/568659034.db2.gz NIUCCHZYCQURBK-MTXNFPGFSA-N 1 0 402.579 4.577 40 0 HJABRO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225672951 568662728 /nfs/dbraw/zinc/66/27/28/568662728.db2.gz MYVNTALTXNSVKF-CYFREDJKSA-N 1 0 402.579 4.864 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260812498 568739986 /nfs/dbraw/zinc/73/99/86/568739986.db2.gz DFNLXPQWIMXCRU-YOSAUDMPSA-N 1 0 402.579 4.864 40 0 HJABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260816906 568740643 /nfs/dbraw/zinc/74/06/43/568740643.db2.gz RVSBWLFEKMIUQC-FQEVSTJZSA-N 1 0 402.579 4.865 40 0 HJABRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000247867237 568745878 /nfs/dbraw/zinc/74/58/78/568745878.db2.gz JLXOAABJPNYWPB-CLLDFNAGSA-N 1 0 418.585 4.555 40 0 HJABRO CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CC[NH+](Cc2ccccn2)CC1 ZINC000257208499 568778558 /nfs/dbraw/zinc/77/85/58/568778558.db2.gz BMKOXVMFPPLECY-UHFFFAOYSA-N 1 0 419.594 4.771 40 0 HJABRO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000257216746 568780977 /nfs/dbraw/zinc/78/09/77/568780977.db2.gz CVWVFQBLLQIQDR-SFHVURJKSA-N 1 0 422.598 4.942 40 0 HJABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)c1nccc2ccccc21)[C@H]3Cc1ccccc1 ZINC000257269748 568795604 /nfs/dbraw/zinc/79/56/04/568795604.db2.gz MRFIJBPNTAASRQ-CPASSRBFSA-N 1 0 411.549 4.591 40 0 HJABRO COc1ccc(C[NH+]2CCC3(CC2)Oc2c(OC)cccc2[C@H]2OCCC[C@@H]23)cc1 ZINC000257274740 568797000 /nfs/dbraw/zinc/79/70/00/568797000.db2.gz NMKNTCCWTBFZMX-JTHBVZDNSA-N 1 0 409.526 4.599 40 0 HJABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257278541 568798105 /nfs/dbraw/zinc/79/81/05/568798105.db2.gz OCQOVHDSJUJJIF-IBGZPJMESA-N 1 0 424.589 4.511 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)c1C ZINC000257315498 568808973 /nfs/dbraw/zinc/80/89/73/568808973.db2.gz VBRNYFMXNYRRPX-GOSISDBHSA-N 1 0 410.591 4.803 40 0 HJABRO COc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 ZINC000257343861 568817232 /nfs/dbraw/zinc/81/72/32/568817232.db2.gz ZURUCWHSQXZXLX-GOSISDBHSA-N 1 0 402.498 4.557 40 0 HJABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cccc(Nc4ncccc4C)n3)CC2)cc1 ZINC000257344365 568817450 /nfs/dbraw/zinc/81/74/50/568817450.db2.gz ZWWWGRJUVITYRX-UHFFFAOYSA-N 1 0 415.541 4.867 40 0 HJABRO COC(=O)c1ccc2c(c1)CCN(c1cc(NCc3ccccc3)[nH+]c(C(C)C)n1)C2 ZINC000328961924 568969982 /nfs/dbraw/zinc/96/99/82/568969982.db2.gz BFENBYOBQBAASZ-UHFFFAOYSA-N 1 0 416.525 4.561 40 0 HJABRO Cc1ccc(C(C)C)c(OCc2nn(C[C@H](O)c3ccccc3)c3[n+]2CCCCC3)c1 ZINC000026441735 569031855 /nfs/dbraw/zinc/03/18/55/569031855.db2.gz HBJXJWWZVRTLLE-QHCPKHFHSA-N 1 0 420.577 4.641 40 0 HJABRO CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2C[C@H]2O[C@@H]3C[C@@H](C)C[NH2+][C@@H]3[C@H](C)[C@H]12 ZINC000584578775 569048671 /nfs/dbraw/zinc/04/86/71/569048671.db2.gz AROKXPQLAKZWRT-QBQQZAPNSA-N 1 0 411.630 4.858 40 0 HJABRO O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257199332 569059018 /nfs/dbraw/zinc/05/90/18/569059018.db2.gz ZXJAOWMVDHPZJN-OFPDSVIMSA-N 1 0 403.570 4.522 40 0 HJABRO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000009063181 569342300 /nfs/dbraw/zinc/34/23/00/569342300.db2.gz FXNWYVQFNMPFCG-UHFFFAOYSA-N 1 0 408.542 4.803 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019570219 569345814 /nfs/dbraw/zinc/34/58/14/569345814.db2.gz ABLIGMZVMXTMTD-ATIYNZHBSA-N 1 0 421.585 4.740 40 0 HJABRO O=C(Nc1ccccc1Cl)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241801 569349649 /nfs/dbraw/zinc/34/96/49/569349649.db2.gz HTBIMBIDNCNPGX-UHFFFAOYSA-N 1 0 419.956 4.910 40 0 HJABRO O[C@]1(c2ccc(Br)cc2)CN(c2cccc(Cl)c2)C2=[N+]1CCCCC2 ZINC000027525090 569363738 /nfs/dbraw/zinc/36/37/38/569363738.db2.gz NDCDPNYUIRTFLH-FQEVSTJZSA-N 1 0 420.758 4.753 40 0 HJABRO COc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2SC[C@H]3C)cc1 ZINC000027788662 569395134 /nfs/dbraw/zinc/39/51/34/569395134.db2.gz CFYDGJHHXBNPOP-CYBMUJFWSA-N 1 0 402.337 4.870 40 0 HJABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(C)(C)C)cc2)cc(-c2ccccc2)n1 ZINC000329015366 571304386 /nfs/dbraw/zinc/30/43/86/571304386.db2.gz NAMUFADKUMNXHH-UHFFFAOYSA-N 1 0 403.574 5.548 40 0 HJABRO CC(C)c1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000328967270 571306347 /nfs/dbraw/zinc/30/63/47/571306347.db2.gz CSPSXSOJIBUCMV-UHFFFAOYSA-N 1 0 420.479 5.416 40 0 HJABRO CC(C)c1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329021763 571306357 /nfs/dbraw/zinc/30/63/57/571306357.db2.gz OJADKBSHUHXJQE-UHFFFAOYSA-N 1 0 415.379 5.280 40 0 HJABRO CC[C@@H](C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329032257 571309076 /nfs/dbraw/zinc/30/90/76/571309076.db2.gz QNVRHCXPVOOBDQ-CQSZACIVSA-N 1 0 408.468 5.272 40 0 HJABRO O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000004618717 132280165 /nfs/dbraw/zinc/28/01/65/132280165.db2.gz JLGJDGFCMSFJRD-UHFFFAOYSA-N 1 0 411.855 4.510 40 0 HJABRO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000044932221 519779257 /nfs/dbraw/zinc/77/92/57/519779257.db2.gz QKMDPSNWJOTMLG-UHFFFAOYSA-N 1 0 400.950 4.656 40 0 HJABRO CC(C)c1cc(C(=O)Nc2nnc(CC[N@@H+]3CCc4ccccc4C3)s2)cs1 ZINC000072391484 519832870 /nfs/dbraw/zinc/83/28/70/519832870.db2.gz PZGAVKKHVLBCTP-UHFFFAOYSA-N 1 0 412.584 4.576 40 0 HJABRO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000044851607 520475249 /nfs/dbraw/zinc/47/52/49/520475249.db2.gz WJMWEJZPMMFJAY-UHFFFAOYSA-N 1 0 412.549 4.576 40 0 HJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc3c(cc2Cl)OCO3)s1 ZINC000043277877 524406348 /nfs/dbraw/zinc/40/63/48/524406348.db2.gz KMXVHEYKMVYNSC-UHFFFAOYSA-N 1 0 403.935 4.728 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCCc2cccc(OC(C)C)c2)CC1 ZINC000044916130 525134799 /nfs/dbraw/zinc/13/47/99/525134799.db2.gz TVZLJBXXLBHINF-UHFFFAOYSA-N 1 0 408.586 4.743 40 0 HJABRO COc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3cccc(C)c3)CC1)CC(C)(C)O2 ZINC000044855519 525585319 /nfs/dbraw/zinc/58/53/19/525585319.db2.gz FAQZFZKJNWJWDB-HSZRJFAPSA-N 1 0 422.569 4.634 40 0 HJABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020042553 558326264 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COc1cc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c(OC)cc1Cl ZINC000030942762 558745789 /nfs/dbraw/zinc/74/57/89/558745789.db2.gz SLSRFSPZTXPSQZ-UHFFFAOYSA-N 1 0 402.922 4.986 40 0 HJABRO COc1cc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c(OC)cc1Cl ZINC000030942765 558745796 /nfs/dbraw/zinc/74/57/96/558745796.db2.gz FHJQGBXCODMYPZ-UHFFFAOYSA-N 1 0 402.922 4.841 40 0 HJABRO O=c1c(C[N@H+](CCCn2ccnc2)C[C@@H]2CC=CCC2)coc2ccc(Cl)cc12 ZINC000036740217 558801715 /nfs/dbraw/zinc/80/17/15/558801715.db2.gz VGHVKCYAPNNSQC-GOSISDBHSA-N 1 0 411.933 4.892 40 0 HJABRO Cc1nccn1-c1ccc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000036740506 558801845 /nfs/dbraw/zinc/80/18/45/558801845.db2.gz NFJYZFUHHFRLGA-UHFFFAOYSA-N 1 0 417.601 4.887 40 0 HJABRO O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038836875 558818110 /nfs/dbraw/zinc/81/81/10/558818110.db2.gz SRNSUDAEPCHPEO-KRWDZBQOSA-N 1 0 406.954 4.600 40 0 HJABRO Cc1ccc(SCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038836633 558818129 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419.594 4.845 40 0 HJABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4ccccc4Cl)C3)no2)CC1 ZINC000019496761 558895742 /nfs/dbraw/zinc/89/57/42/558895742.db2.gz AXTQJAJKVWKLGU-SFHVURJKSA-N 1 0 401.938 4.580 40 0 HJABRO COc1ccc(-c2[nH]c3ncccc3c2C[N@H+](C)CCOc2ccccc2OC)cc1 ZINC000019586178 558939386 /nfs/dbraw/zinc/93/93/86/558939386.db2.gz CKMKLWUXZPSLTN-UHFFFAOYSA-N 1 0 417.509 4.758 40 0 HJABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 ZINC000072350214 558947049 /nfs/dbraw/zinc/94/70/49/558947049.db2.gz LGAMKLRJYADPFK-HXUWFJFHSA-N 1 0 411.977 4.516 40 0 HJABRO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2Cc2ccc(NC(C)=O)cc2)n1 ZINC000072358115 558953916 /nfs/dbraw/zinc/95/39/16/558953916.db2.gz IKENOUOBJCEGSY-VWLOTQADSA-N 1 0 415.537 4.977 40 0 HJABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370311 558956664 /nfs/dbraw/zinc/95/66/64/558956664.db2.gz TVADSVYPSZBPQB-QGZVFWFLSA-N 1 0 410.587 4.602 40 0 HJABRO Cn1nccc1C[NH+]1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 ZINC000019690531 558959976 /nfs/dbraw/zinc/95/99/76/558959976.db2.gz QBCZRLDVQCOEPW-UHFFFAOYSA-N 1 0 414.475 4.804 40 0 HJABRO CCOc1ccc(COC)cc1C[N@@H+]1CCC[C@H]1c1cc(-c2cncnc2)cc(C)n1 ZINC000019690824 558960278 /nfs/dbraw/zinc/96/02/78/558960278.db2.gz MBNNBSWUIDWZDR-DEOSSOPVSA-N 1 0 418.541 4.729 40 0 HJABRO CCn1cc(C[NH+]2CCC(c3cc(Cc4ccc(OC)cc4)cc(C)n3)CC2)c(C)n1 ZINC000019691846 558961169 /nfs/dbraw/zinc/96/11/69/558961169.db2.gz KTOAICMJJFPAOY-UHFFFAOYSA-N 1 0 418.585 4.894 40 0 HJABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000019702210 558967470 /nfs/dbraw/zinc/96/74/70/558967470.db2.gz KXZDMDMWAREAJA-QGZVFWFLSA-N 1 0 416.550 4.536 40 0 HJABRO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100118 559023784 /nfs/dbraw/zinc/02/37/84/559023784.db2.gz FZISPMPHDNIOLO-GJZUVCINSA-N 1 0 423.601 4.517 40 0 HJABRO Cc1c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC3CCCCC3)CC2)nc2ccccn12 ZINC000585100550 559023990 /nfs/dbraw/zinc/02/39/90/559023990.db2.gz NGRVDAGLTFMDFM-RUZDIDTESA-N 1 0 408.590 4.570 40 0 HJABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000585165361 559066428 /nfs/dbraw/zinc/06/64/28/559066428.db2.gz FTENZSJDWILLJD-HXUWFJFHSA-N 1 0 422.960 4.715 40 0 HJABRO C[C@@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(O)/C=C/c1ccccc1)c1ccccc1 ZINC000095951566 559089459 /nfs/dbraw/zinc/08/94/59/559089459.db2.gz WCUFFTSGLBHWQV-IBCPYWIZSA-N 1 0 422.569 4.791 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052760 559092393 /nfs/dbraw/zinc/09/23/93/559092393.db2.gz YBTZLPNSMDYYPR-FQEVSTJZSA-N 1 0 406.545 4.906 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc2O3)s1 ZINC000096053097 559092949 /nfs/dbraw/zinc/09/29/49/559092949.db2.gz SMWIRVZIZYJDQT-FQEVSTJZSA-N 1 0 424.610 4.874 40 0 HJABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053464 559093388 /nfs/dbraw/zinc/09/33/88/559093388.db2.gz SDYTWPCIBBZWED-HXUWFJFHSA-N 1 0 412.599 4.908 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1 ZINC000585289454 559122404 /nfs/dbraw/zinc/12/24/04/559122404.db2.gz GVMPUAYGMGQJAJ-INIZCTEOSA-N 1 0 418.419 4.539 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH2+]Cc2cccnc2NC)CC1 ZINC000100657940 559137398 /nfs/dbraw/zinc/13/73/98/559137398.db2.gz HBOOCIANIURDID-CALCHBBNSA-N 1 0 422.598 4.761 40 0 HJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)cc1 ZINC000006629874 560744523 /nfs/dbraw/zinc/74/45/23/560744523.db2.gz YHORZVAAPYMLRM-UHFFFAOYSA-N 1 0 421.566 4.817 40 0 HJABRO CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 ZINC000009062744 560757318 /nfs/dbraw/zinc/75/73/18/560757318.db2.gz AXLOOTOVQHIEKY-UHFFFAOYSA-N 1 0 418.940 4.795 40 0 HJABRO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1I ZINC000017092094 560866837 /nfs/dbraw/zinc/86/68/37/560866837.db2.gz PYXPFEJAIRYWQI-UHFFFAOYSA-N 1 0 420.294 4.529 40 0 HJABRO Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)n2)c1 ZINC000219241276 568488397 /nfs/dbraw/zinc/48/83/97/568488397.db2.gz IKOABMAOSVZAPD-LJQANCHMSA-N 1 0 418.541 4.549 40 0 HJABRO COc1ccc2c(c1)N[C@]1(CCC[N@H+](CCCOc3ccccc3)C1)c1cccn1-2 ZINC000057719910 568496127 /nfs/dbraw/zinc/49/61/27/568496127.db2.gz MLZWUHLYRUKOGD-VWLOTQADSA-N 1 0 403.526 4.672 40 0 HJABRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(NC(=O)C2CN(Cc3ccc(Cl)cc3)C2)c1 ZINC000057776092 568497590 /nfs/dbraw/zinc/49/75/90/568497590.db2.gz RYRHRYSOOYIWDJ-GOSISDBHSA-N 1 0 411.977 4.785 40 0 HJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)C1 ZINC000223547604 568551509 /nfs/dbraw/zinc/55/15/09/568551509.db2.gz LBJYCKTZCYFQMP-HXUWFJFHSA-N 1 0 402.538 4.881 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3C(C)(C)C)CC2)c1 ZINC000223717023 568557165 /nfs/dbraw/zinc/55/71/65/568557165.db2.gz ZGGRXIFTZKLXGN-UHFFFAOYSA-N 1 0 408.586 4.700 40 0 HJABRO Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224227117 568574435 /nfs/dbraw/zinc/57/44/35/568574435.db2.gz CKMXNBVPEONVDI-PKTZIBPZSA-N 1 0 411.534 4.753 40 0 HJABRO Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224391769 568580060 /nfs/dbraw/zinc/58/00/60/568580060.db2.gz GHXUMOPQFCWOSF-VXKWHMMOSA-N 1 0 415.497 4.584 40 0 HJABRO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000224553567 568584925 /nfs/dbraw/zinc/58/49/25/568584925.db2.gz XZVRDJIGTAJDIB-UHFFFAOYSA-N 1 0 412.549 4.530 40 0 HJABRO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224832252 568599004 /nfs/dbraw/zinc/59/90/04/568599004.db2.gz LGPJZRKPYRGAQG-FQEVSTJZSA-N 1 0 402.538 4.909 40 0 HJABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224832199 568599013 /nfs/dbraw/zinc/59/90/13/568599013.db2.gz LGPJZRKPYRGAQG-HXUWFJFHSA-N 1 0 402.538 4.909 40 0 HJABRO Cc1ccc2[nH+]c(C)cc(NCCNC(=S)Nc3ccc4sncc4c3)c2c1 ZINC000225214607 568623799 /nfs/dbraw/zinc/62/37/99/568623799.db2.gz PGASKXGMAJZWID-UHFFFAOYSA-N 1 0 407.568 4.860 40 0 HJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225623151 568658105 /nfs/dbraw/zinc/65/81/05/568658105.db2.gz MMBVSYDTAFZLBV-REHUZNOOSA-N 1 0 404.595 4.967 40 0 HJABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@H](C)C1 ZINC000225636604 568659072 /nfs/dbraw/zinc/65/90/72/568659072.db2.gz NHAICCMXTWFFBM-RDPSFJRHSA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225715171 568666995 /nfs/dbraw/zinc/66/69/95/568666995.db2.gz GWWAIPLRLWPOJE-REHUZNOOSA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225716009 568667356 /nfs/dbraw/zinc/66/73/56/568667356.db2.gz ICUBCHOLMGFYGK-GBXCKJPGSA-N 1 0 402.579 4.865 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC(C)CC1 ZINC000225720244 568667743 /nfs/dbraw/zinc/66/77/43/568667743.db2.gz XAYXZKRSSIEXPV-UHFFFAOYSA-N 1 0 402.579 4.721 40 0 HJABRO C[C@@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 ZINC000225736756 568669779 /nfs/dbraw/zinc/66/97/79/568669779.db2.gz VUUSOWIZNLYDSB-GFCCVEGCSA-N 1 0 404.805 4.511 40 0 HJABRO S=C(NCCC[N@@H+]1CCc2ccccc2C1)Nc1ccc(OC2CCCC2)cc1 ZINC000225744014 568670618 /nfs/dbraw/zinc/67/06/18/568670618.db2.gz HNHUJSFJMGXYTM-UHFFFAOYSA-N 1 0 409.599 4.743 40 0 HJABRO COc1cccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000225910756 568685377 /nfs/dbraw/zinc/68/53/77/568685377.db2.gz DXCWXHDLNRODRX-OAHLLOKOSA-N 1 0 407.341 4.877 40 0 HJABRO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000260822773 568740434 /nfs/dbraw/zinc/74/04/34/568740434.db2.gz ABWVONLBYQGXMU-WMZOPIPTSA-N 1 0 413.359 4.639 40 0 HJABRO CN(C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)C1CCCCC1 ZINC000257227120 568784076 /nfs/dbraw/zinc/78/40/76/568784076.db2.gz FNUHHFPIJJFIAV-IBGZPJMESA-N 1 0 420.557 4.940 40 0 HJABRO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@H+](Cc3ccc(C(C)C)cc3)C2)nc1C ZINC000257236624 568786772 /nfs/dbraw/zinc/78/67/72/568786772.db2.gz HCZWPYRIUGRWDZ-HSZRJFAPSA-N 1 0 422.617 4.617 40 0 HJABRO Cn1cc(C[NH+]2CCC(c3cccc(Nc4ncccn4)n3)CC2)c2cc(F)ccc21 ZINC000257244056 568788582 /nfs/dbraw/zinc/78/85/82/568788582.db2.gz IJRCSCZEBUDFOV-UHFFFAOYSA-N 1 0 416.504 4.626 40 0 HJABRO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH2+]Cc2ccnn2C)CC1 ZINC000257245205 568788915 /nfs/dbraw/zinc/78/89/15/568788915.db2.gz IOMXDBXOXZNGHH-IYARVYRRSA-N 1 0 424.614 4.837 40 0 HJABRO Cc1nc([C@@]2(O)CCC[N@@H+](C3CCCC3)CC2)sc1CCOc1ccc(F)cc1 ZINC000257279691 568798339 /nfs/dbraw/zinc/79/83/39/568798339.db2.gz OHTOBRPVVOWRKX-HSZRJFAPSA-N 1 0 418.578 4.828 40 0 HJABRO O=C(/C=C/c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000257302617 568805049 /nfs/dbraw/zinc/80/50/49/568805049.db2.gz SDOKZHSLGWDMED-HGMGIVORSA-N 1 0 400.566 4.993 40 0 HJABRO CC(C)n1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306130629 568893247 /nfs/dbraw/zinc/89/32/47/568893247.db2.gz JLNMDLPSEZSXKX-NRFANRHFSA-N 1 0 418.520 4.692 40 0 HJABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@H+](Cc4ccco4)C3)nn2c1 ZINC000306134211 568895988 /nfs/dbraw/zinc/89/59/88/568895988.db2.gz NFTOKLJOVKHYBP-QGZVFWFLSA-N 1 0 406.461 4.517 40 0 HJABRO COc1ccc(F)cc1-c1ccc2nc([C@@H]3CCC[N@H+](Cc4ccoc4)C3)nn2c1 ZINC000306134299 568896325 /nfs/dbraw/zinc/89/63/25/568896325.db2.gz NIJKOVCAXMHYHE-GOSISDBHSA-N 1 0 406.461 4.517 40 0 HJABRO c1coc(C[N@@H+]2CC[C@]3(c4ccccc4)CCc4ncc(-c5ccncc5)n4C[C@H]23)c1 ZINC000306141508 568903017 /nfs/dbraw/zinc/90/30/17/568903017.db2.gz VYQVBDIBROBISY-AHWVRZQESA-N 1 0 410.521 4.697 40 0 HJABRO CC1=C([C@H](C)[C@@H]2[NH2+]C[C@@H](C)C[C@H]2O)CC[C@@H]2C1=C[C@@H]1[C@H]2CC=C2C[C@@H](O)CC[C@@]21C ZINC000035643845 569047022 /nfs/dbraw/zinc/04/70/22/569047022.db2.gz MNUNKCHZNVYRDJ-NPSGEGPJSA-N 1 0 411.630 4.762 40 0 in-vitro HJABRO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)C(C)=O)cc1 ZINC000004785550 569071503 /nfs/dbraw/zinc/07/15/03/569071503.db2.gz UCRIIXJATPHSML-YZIHRLCOSA-N 1 0 408.586 4.732 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000247848270 569315541 /nfs/dbraw/zinc/31/55/41/569315541.db2.gz HVAAQCQXBXDJRA-UMFSSWHCSA-N 1 0 403.570 4.550 40 0 HJABRO CC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@@H+](C)C[C@H](C)c2ccccc2)C1 ZINC000248127863 569316441 /nfs/dbraw/zinc/31/64/41/569316441.db2.gz PKBNUEFQKBVAND-RXVVDRJESA-N 1 0 404.558 4.524 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSCc3ccc(Cl)cc3)CC2)c1 ZINC000009063012 569342242 /nfs/dbraw/zinc/34/22/42/569342242.db2.gz DDSOJSFIGSCAGQ-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO CC(C)c1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)n[nH]2)cc1 ZINC000019704269 569347568 /nfs/dbraw/zinc/34/75/68/569347568.db2.gz WDBHFFVNRRPQNS-HXUWFJFHSA-N 1 0 419.573 4.563 40 0 HJABRO Cc1nc([C@@]2(O)CCC[N@@H+](C3CCCC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705242 569347882 /nfs/dbraw/zinc/34/78/82/569347882.db2.gz RJMVGMWVBYADFM-JOCHJYFZSA-N 1 0 422.541 4.925 40 0 HJABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000036092711 569351673 /nfs/dbraw/zinc/35/16/73/569351673.db2.gz PYOKJJNUOGAENT-RBUKOAKNSA-N 1 0 407.558 4.699 40 0 HJABRO COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044937214 569352080 /nfs/dbraw/zinc/35/20/80/569352080.db2.gz XSQROISHEKNCPW-XUZZJYLKSA-N 1 0 412.549 4.950 40 0 HJABRO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000020503439 575369621 /nfs/dbraw/zinc/36/96/21/575369621.db2.gz ICSZLFRITWDIEH-AZUAARDMSA-N 1 0 420.553 4.996 40 0 biogenic,in-vitro HJABRO CN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CC2CCCCC2)on1 ZINC000015673666 291275738 /nfs/dbraw/zinc/27/57/38/291275738.db2.gz JWTCYLCBYAJNDL-GOTSBHOMSA-N 1 0 423.601 4.614 40 0 biogenic,in-vitro HJABRO Cn1nc(-c2cccs2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 ZINC000008635844 291279654 /nfs/dbraw/zinc/27/96/54/291279654.db2.gz YPXAUQTVOZZFGF-UHOSZYNNSA-N 1 0 422.554 4.575 40 0 biogenic,in-vitro HJABRO CC(C)C(=O)N1CCCc2cc([C@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291395 132358017 /nfs/dbraw/zinc/35/80/17/132358017.db2.gz IPIPAPKIFPXDQE-RUZDIDTESA-N 1 0 422.544 4.584 40 0 HJABRO CC(C)c1ccc(OCCOC[C@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000040373296 519838226 /nfs/dbraw/zinc/83/82/26/519838226.db2.gz ZGNZMDOPVYOQCZ-RUZDIDTESA-N 1 0 411.586 4.521 40 0 HJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225699338 521253191 /nfs/dbraw/zinc/25/31/91/521253191.db2.gz YEAUGMHZALWYHX-REHUZNOOSA-N 1 0 404.595 4.967 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1Cl ZINC000044939834 521511094 /nfs/dbraw/zinc/51/10/94/521511094.db2.gz KFEOYCLDGTWTLK-INIZCTEOSA-N 1 0 418.896 4.507 40 0 HJABRO COc1ccccc1CCCNC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044906717 524402252 /nfs/dbraw/zinc/40/22/52/524402252.db2.gz PFZHJEKCJVKJLR-UHFFFAOYSA-N 1 0 414.549 4.616 40 0 HJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2c[nH]nc2-c2ccc(Cl)cc2)o1 ZINC000043277772 524406472 /nfs/dbraw/zinc/40/64/72/524406472.db2.gz VWNWJTJYYLRLPP-UHFFFAOYSA-N 1 0 409.921 4.921 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000044855711 525552930 /nfs/dbraw/zinc/55/29/30/525552930.db2.gz PKURWUSWWPZKCX-WZONZLPQSA-N 1 0 422.569 4.959 40 0 HJABRO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[NH+]3CCCCC3)cc1)CC(C)(C)O2 ZINC000044855562 525586262 /nfs/dbraw/zinc/58/62/62/525586262.db2.gz ZLGIFVZIBLAZGS-JOCHJYFZSA-N 1 0 408.542 4.713 40 0 HJABRO O=C(CSCc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873319 527025055 /nfs/dbraw/zinc/02/50/55/527025055.db2.gz CINKLZNUKCPERF-UHFFFAOYSA-N 1 0 402.991 4.876 40 0 HJABRO CCN1c2ccccc2C[C@](CC[N@H+](C)Cc2ccccc2)(C(N)=O)c2ccccc21 ZINC000001565847 557272502 /nfs/dbraw/zinc/27/25/02/557272502.db2.gz PHPYRCJGEGCQNA-MHZLTWQESA-N 1 0 413.565 4.646 40 0 HJABRO CCOc1ccccc1N(CC[NH+](C)C)C(=O)C(c1ccccc1)c1ccccc1 ZINC000001758899 557285123 /nfs/dbraw/zinc/28/51/23/557285123.db2.gz CJVHCNDIRPRHON-UHFFFAOYSA-N 1 0 402.538 4.812 40 0 HJABRO CCOC(=O)c1c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)sc2c1CCCC2 ZINC000010691155 558259830 /nfs/dbraw/zinc/25/98/30/558259830.db2.gz LGNKPXWSZBMFIE-UHFFFAOYSA-N 1 0 412.555 4.652 40 0 HJABRO Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000012238204 558358919 /nfs/dbraw/zinc/35/89/19/558358919.db2.gz DQCKBWXAJGYQHI-HXUWFJFHSA-N 1 0 415.578 4.667 40 0 HJABRO Fc1ccc(-c2ccc([C@@H]3CC[NH2+]C[C@H]3COc3ccc4c(c3)OCO4)cc2)cc1 ZINC000012648295 558443338 /nfs/dbraw/zinc/44/33/38/558443338.db2.gz KGCNJTDZPZEYEM-REWPJTCUSA-N 1 0 405.469 4.994 40 0 in-vitro HJABRO Cc1cccc(CSCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039761065 558685606 /nfs/dbraw/zinc/68/56/06/558685606.db2.gz YSQLYFUHPWQEFY-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039763750 558685798 /nfs/dbraw/zinc/68/57/98/558685798.db2.gz TXKIHKBRCSRLAQ-UHFFFAOYSA-N 1 0 405.369 4.954 40 0 HJABRO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000039766832 558686160 /nfs/dbraw/zinc/68/61/60/558686160.db2.gz NVOVXRNPFNCDRM-UHFFFAOYSA-N 1 0 408.542 4.803 40 0 HJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1 ZINC000038857330 558819391 /nfs/dbraw/zinc/81/93/91/558819391.db2.gz BZZKFGUOYPSMNS-LJQANCHMSA-N 1 0 411.977 4.534 40 0 HJABRO CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CC[NH+](Cc4cccnc4)CC3)cc2n1 ZINC000019083846 558840592 /nfs/dbraw/zinc/84/05/92/558840592.db2.gz XWRHAVJGQNPLFB-UHFFFAOYSA-N 1 0 417.479 4.820 40 0 HJABRO Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 ZINC000019210356 558848247 /nfs/dbraw/zinc/84/82/47/558848247.db2.gz HPEGEEKWHGCOGZ-HJOGWXRNSA-N 1 0 417.578 4.582 40 0 HJABRO Cc1nc(-c2ccc(Cl)cc2)c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000019240604 558859149 /nfs/dbraw/zinc/85/91/49/558859149.db2.gz BONXSYKNIMUHOA-LJQANCHMSA-N 1 0 418.006 4.791 40 0 HJABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCC[N@@H+]3C[C@@H]3CCOC3)nn21 ZINC000019344180 558872811 /nfs/dbraw/zinc/87/28/11/558872811.db2.gz UQQTWWUFYFFZMD-XJKSGUPXSA-N 1 0 422.476 4.650 40 0 HJABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1)c1cccs1 ZINC000019400847 558883390 /nfs/dbraw/zinc/88/33/90/558883390.db2.gz DGYCQQJONPHGGS-JOCHJYFZSA-N 1 0 409.530 4.666 40 0 HJABRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cc1 ZINC000019453224 558890786 /nfs/dbraw/zinc/89/07/86/558890786.db2.gz SBBCKIXVVKGWTP-QFIPXVFZSA-N 1 0 418.541 4.503 40 0 HJABRO CC(C)n1cc(C(=O)N2C[C@H](c3ccc(C[NH+]4CCCC4)cc3)[C@H]3CCCC[C@H]32)cn1 ZINC000019454940 558891454 /nfs/dbraw/zinc/89/14/54/558891454.db2.gz IZCVJBOCHMDJAI-UBFVSLLYSA-N 1 0 420.601 4.858 40 0 HJABRO CC(C)n1cc(C[NH+]2CCC(O)(Cn3cnc4ccccc43)CC2)c2ccc(F)cc21 ZINC000019454769 558891529 /nfs/dbraw/zinc/89/15/29/558891529.db2.gz LFEAVEQHJLKAAV-UHFFFAOYSA-N 1 0 420.532 4.738 40 0 HJABRO COc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cccnc2)ccc1OC1CCCC1 ZINC000019550120 558914914 /nfs/dbraw/zinc/91/49/14/558914914.db2.gz NGHSONWJJVQOSQ-KMXBQNHCSA-N 1 0 422.569 4.531 40 0 HJABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)c1 ZINC000019564843 558924824 /nfs/dbraw/zinc/92/48/24/558924824.db2.gz BKWCKBGCVMUCTN-SANMLTNESA-N 1 0 421.585 4.740 40 0 HJABRO Cc1c2ccccc2[nH]c1C[NH+]1CCC([C@@H](NC(=O)C2CCC2)c2ccccn2)CC1 ZINC000019565881 558925716 /nfs/dbraw/zinc/92/57/16/558925716.db2.gz OWXVYPQOJCRPQK-RUZDIDTESA-N 1 0 416.569 4.741 40 0 HJABRO Cc1c(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000019565875 558925737 /nfs/dbraw/zinc/92/57/37/558925737.db2.gz BNBLIEMLNLESJT-XMMPIXPASA-N 1 0 418.585 4.987 40 0 HJABRO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019568924 558928110 /nfs/dbraw/zinc/92/81/10/558928110.db2.gz NUKXZYKENZPWCP-PXDATVDWSA-N 1 0 421.585 4.854 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000072330462 558934782 /nfs/dbraw/zinc/93/47/82/558934782.db2.gz DEONCXUXOAKGMU-GJZUVCINSA-N 1 0 417.528 4.533 40 0 HJABRO CCCc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 ZINC000072341494 558939792 /nfs/dbraw/zinc/93/97/92/558939792.db2.gz BTIMKPHFSPBQMM-LJQANCHMSA-N 1 0 411.575 4.857 40 0 HJABRO Cc1ccc(C[NH+]2CCC(c3nnc([C@@H]4CCCCN4C(=O)CC(C)C)o3)CC2)cc1 ZINC000072344941 558941331 /nfs/dbraw/zinc/94/13/31/558941331.db2.gz MASOKFYGHLYZAC-QFIPXVFZSA-N 1 0 424.589 4.857 40 0 HJABRO Cn1ccnc1C[N@@H+]1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072350008 558946844 /nfs/dbraw/zinc/94/68/44/558946844.db2.gz GQQNKFGUTANESO-KRWDZBQOSA-N 1 0 400.448 4.881 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)cn1 ZINC000072349992 558946858 /nfs/dbraw/zinc/94/68/58/558946858.db2.gz RXFSJXRKCKEWKL-IBGZPJMESA-N 1 0 414.475 4.804 40 0 HJABRO NC(=O)c1cccc(-c2cccc([C@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)n2)c1 ZINC000072350441 558947485 /nfs/dbraw/zinc/94/74/85/558947485.db2.gz WBQFPBRHUQOPKH-QFIPXVFZSA-N 1 0 410.521 4.708 40 0 HJABRO CC(C)c1ncc(C[N@@H+]2CCCCC[C@@H]2Cc2c3ccccc3sc2C(N)=O)cn1 ZINC000072370685 558957234 /nfs/dbraw/zinc/95/72/34/558957234.db2.gz ODSUCYABPLGIQE-GOSISDBHSA-N 1 0 422.598 4.901 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000019687440 558957335 /nfs/dbraw/zinc/95/73/35/558957335.db2.gz OLBSZNBETYSQDI-NRFANRHFSA-N 1 0 424.980 4.725 40 0 HJABRO Cc1cccc(N2CC[N@@H+](C[C@H]3C(=O)O[C@H]4C[C@@]5(C)CCC[C@@H](C)C5=C[C@@H]34)C[C@@H]2C)c1 ZINC000063684324 558958730 /nfs/dbraw/zinc/95/87/30/558958730.db2.gz SAOYGWVUOAMNQH-LNKOHFBPSA-N 1 0 422.613 4.820 40 0 HJABRO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@H+]2Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019691047 558960591 /nfs/dbraw/zinc/96/05/91/558960591.db2.gz MACUHSUXNWBGBI-RUZDIDTESA-N 1 0 424.552 4.798 40 0 HJABRO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 ZINC000072376099 558965385 /nfs/dbraw/zinc/96/53/85/558965385.db2.gz SEHHMYICDGBTPP-FQEVSTJZSA-N 1 0 412.541 4.864 40 0 HJABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398588 558976017 /nfs/dbraw/zinc/97/60/17/558976017.db2.gz MFADXOOQCKMLBA-RGLOFSQBSA-N 1 0 421.585 4.719 40 0 HJABRO C[C@H]1Cc2cc(C[N@@H+]3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000072398623 558976337 /nfs/dbraw/zinc/97/63/37/558976337.db2.gz SWRULZWHTDBBPH-WXVUKLJWSA-N 1 0 421.585 4.521 40 0 HJABRO COc1ccccc1-c1ccc(C[N@H+](C)Cc2ccccc2N2CCOCC2)cc1 ZINC000019715486 558976475 /nfs/dbraw/zinc/97/64/75/558976475.db2.gz IEQMHRJWVVTINF-UHFFFAOYSA-N 1 0 402.538 4.831 40 0 HJABRO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100119 559023878 /nfs/dbraw/zinc/02/38/78/559023878.db2.gz FZISPMPHDNIOLO-NVQXNPDNSA-N 1 0 423.601 4.517 40 0 HJABRO NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000585166463 559066906 /nfs/dbraw/zinc/06/69/06/559066906.db2.gz HJKBEJSEUHFXLE-UHFFFAOYSA-N 1 0 419.956 4.712 40 0 HJABRO Cc1ccc(C[NH+]2CCC(Cc3cccc(-c4cccnc4)c3)(C(N)=O)CC2)cc1C ZINC000585166497 559067008 /nfs/dbraw/zinc/06/70/08/559067008.db2.gz RVCZNBDSJPYKAA-UHFFFAOYSA-N 1 0 413.565 4.676 40 0 HJABRO C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)/C=C/c1ccccc1)c1ccccc1 ZINC000095951572 559089449 /nfs/dbraw/zinc/08/94/49/559089449.db2.gz WCUFFTSGLBHWQV-KHSPVOFTSA-N 1 0 422.569 4.791 40 0 HJABRO CC[NH+](CC)CCCNC(=O)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 ZINC000096037804 559091596 /nfs/dbraw/zinc/09/15/96/559091596.db2.gz NXZSJBLQVLAREL-UHFFFAOYSA-N 1 0 418.497 4.612 40 0 HJABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053460 559093384 /nfs/dbraw/zinc/09/33/84/559093384.db2.gz CDGACEMIRWHYIY-LJQANCHMSA-N 1 0 412.599 4.908 40 0 HJABRO O=C(Nc1ccccc1)N1CC2(C1)CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000096071012 559094335 /nfs/dbraw/zinc/09/43/35/559094335.db2.gz HYLSXRQVBCURBV-UHFFFAOYSA-N 1 0 403.448 4.835 40 0 HJABRO COCCC[NH2+][C@H]1CCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC(=O)N2Cc1ccc(F)cc1 ZINC000585261746 559109338 /nfs/dbraw/zinc/10/93/38/559109338.db2.gz FZUFEILDJYMMRV-TWZJLLKVSA-N 1 0 424.560 4.505 40 0 HJABRO COc1ccccc1-c1cccc(C[N@@H+]2CCC[C@@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000585261967 559109632 /nfs/dbraw/zinc/10/96/32/559109632.db2.gz VDEGQFZYSJVJTR-RUZDIDTESA-N 1 0 415.537 4.730 40 0 HJABRO Clc1ccc2ncc(-c3cccc([C@@H]4CCC[N@H+](Cc5ccccn5)C4)n3)n2c1 ZINC000585262953 559111568 /nfs/dbraw/zinc/11/15/68/559111568.db2.gz RGCVMPOGJHAWDD-QGZVFWFLSA-N 1 0 403.917 4.824 40 0 HJABRO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000096627143 559111686 /nfs/dbraw/zinc/11/16/86/559111686.db2.gz KSADTDJAKGKPIJ-QGZVFWFLSA-N 1 0 410.867 4.887 40 0 HJABRO COc1cccc(CN2CC=CC[C@H](C3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000072371049 559186435 /nfs/dbraw/zinc/18/64/35/559186435.db2.gz XAPIRXWUEPGRBN-RUZDIDTESA-N 1 0 404.554 4.512 40 0 HJABRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC[C@H](C)C[NH2+]1 ZINC000118924131 559205930 /nfs/dbraw/zinc/20/59/30/559205930.db2.gz IRRHFODGOMSPEE-IXCDTRSDSA-N 1 0 415.662 4.921 40 0 HJABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2cccc(C)c2)CC1 ZINC000257334607 559283262 /nfs/dbraw/zinc/28/32/62/559283262.db2.gz YGQMMLKOKILXQR-UHFFFAOYSA-N 1 0 413.565 4.628 40 0 HJABRO CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2ccncc2)CC1 ZINC000257224985 559283662 /nfs/dbraw/zinc/28/36/62/559283662.db2.gz FEHOTPLPXALJSL-UHFFFAOYSA-N 1 0 413.565 4.710 40 0 HJABRO CC(C)(C)CC[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 ZINC000514289597 560032287 /nfs/dbraw/zinc/03/22/87/560032287.db2.gz LXBJKYXMQNYSSW-WRALFONMSA-N 1 0 412.549 4.558 40 0 biogenic,in-vitro HJABRO CC1=C[C@@H](C[NH2+]C2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cc(F)ccc2[nH]1 ZINC000072320870 560077888 /nfs/dbraw/zinc/07/78/88/560077888.db2.gz KSAYIMPPBMVPRB-IPJJNNNSSA-N 1 0 412.597 4.783 40 0 biogenic,in-vitro HJABRO C=C1[NH+]=C(SCC(C)C)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408986479 560661632 /nfs/dbraw/zinc/66/16/32/560661632.db2.gz COBYOGOADFIRJM-MRXNPFEDSA-N 1 0 411.365 4.676 40 0 HJABRO C[C@]1([NH+]2CCCCC2)[C@@H](O)c2cc(Br)ccc2O[C@H]1c1ccccc1 ZINC000005534930 560737890 /nfs/dbraw/zinc/73/78/90/560737890.db2.gz PDCAUFHRAKNQNX-ACRUOGEOSA-N 1 0 402.332 4.861 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)c1 ZINC000009063009 560766668 /nfs/dbraw/zinc/76/66/68/560766668.db2.gz LSOUEVADDCKEDT-UHFFFAOYSA-N 1 0 402.991 4.769 40 0 HJABRO CCOc1ccc(N(CC(=O)c2ccc3c(c2)OCCO3)C2=NCCCCC2)cc1 ZINC000006870375 568462921 /nfs/dbraw/zinc/46/29/21/568462921.db2.gz FUZQZBWWEHAHGZ-UHFFFAOYSA-N 1 0 408.498 4.518 40 0 HJABRO COc1ccc(C[NH+]2CCC(c3cc4c(ccc(OC)c4C)cn3)CC2)c(OC)c1 ZINC000057773345 568497739 /nfs/dbraw/zinc/49/77/39/568497739.db2.gz KKIHTVQFYYAHET-UHFFFAOYSA-N 1 0 406.526 4.949 40 0 HJABRO Cc1ccc(-c2nnc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)s2)cc1 ZINC000222878539 568529338 /nfs/dbraw/zinc/52/93/38/568529338.db2.gz INUXYXIDPVWRJQ-UHFFFAOYSA-N 1 0 406.555 4.998 40 0 HJABRO Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224194729 568573280 /nfs/dbraw/zinc/57/32/80/568573280.db2.gz MYPNZDDRULSPKZ-GOTSBHOMSA-N 1 0 411.534 4.753 40 0 HJABRO Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224227172 568574420 /nfs/dbraw/zinc/57/44/20/568574420.db2.gz CKMXNBVPEONVDI-XZOQPEGZSA-N 1 0 411.534 4.753 40 0 HJABRO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224840937 568599529 /nfs/dbraw/zinc/59/95/29/568599529.db2.gz JYDBOQDGBKXEJD-JOCHJYFZSA-N 1 0 400.950 4.800 40 0 HJABRO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000225529059 568647572 /nfs/dbraw/zinc/64/75/72/568647572.db2.gz YJCGFQBSFGHNMT-UHFFFAOYSA-N 1 0 410.867 4.887 40 0 HJABRO COC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 ZINC000225640571 568659292 /nfs/dbraw/zinc/65/92/92/568659292.db2.gz RSVIQMZCZKDQAI-PGPPMQCXSA-N 1 0 402.579 4.577 40 0 HJABRO COc1ccccc1[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225670367 568662454 /nfs/dbraw/zinc/66/24/54/568662454.db2.gz MLHLWPUIJVPTBQ-LJQANCHMSA-N 1 0 400.522 4.745 40 0 HJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225688913 568664421 /nfs/dbraw/zinc/66/44/21/568664421.db2.gz XEQZWZBCQYAAAV-JXALWOEJSA-N 1 0 404.595 4.823 40 0 HJABRO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)s2)cc1 ZINC000225775075 568673542 /nfs/dbraw/zinc/67/35/42/568673542.db2.gz BVCIJZROCQFMRE-UHFFFAOYSA-N 1 0 406.555 4.673 40 0 HJABRO CC1CC[NH+](CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)CC1 ZINC000225778115 568673856 /nfs/dbraw/zinc/67/38/56/568673856.db2.gz IHIUKQJFTUFVQW-UHFFFAOYSA-N 1 0 400.950 4.771 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814558 568740098 /nfs/dbraw/zinc/74/00/98/568740098.db2.gz KNHXFUCDABLGTH-MZLICYQSSA-N 1 0 402.579 4.721 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCCC1 ZINC000260814446 568740127 /nfs/dbraw/zinc/74/01/27/568740127.db2.gz IALJYUNNDBPENB-FQEVSTJZSA-N 1 0 402.579 4.865 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCCC4)on3)C2)c1 ZINC000257255605 568791867 /nfs/dbraw/zinc/79/18/67/568791867.db2.gz KIDYRXDOTZEQGB-IBGZPJMESA-N 1 0 411.546 4.515 40 0 HJABRO COc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4ccc(C)nc4)C3)c2)cc1 ZINC000257273168 568796547 /nfs/dbraw/zinc/79/65/47/568796547.db2.gz NFNGDVLAMMKGPH-FQEVSTJZSA-N 1 0 416.525 4.865 40 0 HJABRO COc1ccccc1-c1ccccc1C[N@@H+]1CCC[C@@H]1c1ccnc(CNC(C)=O)c1 ZINC000257283175 568799380 /nfs/dbraw/zinc/79/93/80/568799380.db2.gz OXAQCBWRGYTVOQ-RUZDIDTESA-N 1 0 415.537 4.730 40 0 HJABRO COc1ccc2c(c1)[C@H]1OCC3(CC[NH+](Cc4ccncc4)CC3)C[C@@H]1C(C)(C)O2 ZINC000257320885 568810652 /nfs/dbraw/zinc/81/06/52/568810652.db2.gz VZAPPSMXEMKVMD-JTHBVZDNSA-N 1 0 408.542 4.621 40 0 HJABRO Cn1cc(C[NH+]2CCC(c3cncc(Nc4ccccn4)n3)CC2)c2cc(F)ccc21 ZINC000257324352 568811722 /nfs/dbraw/zinc/81/17/22/568811722.db2.gz WOHVOXSQTRPYLM-UHFFFAOYSA-N 1 0 416.504 4.626 40 0 HJABRO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)C(C)=O)cc1 ZINC000013756237 569004996 /nfs/dbraw/zinc/00/49/96/569004996.db2.gz UCRIIXJATPHSML-LZCXECNNSA-N 1 0 408.586 4.732 40 0 HJABRO O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199330 569059054 /nfs/dbraw/zinc/05/90/54/569059054.db2.gz ZXJAOWMVDHPZJN-IMBWNBOCSA-N 1 0 403.570 4.522 40 0 HJABRO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+]([C@H](C)Cc4ccc(F)cc4)C3)cc2n1 ZINC000252077228 569317255 /nfs/dbraw/zinc/31/72/55/569317255.db2.gz CZBRAZBQHFURHJ-GDBMZVCRSA-N 1 0 420.454 4.870 40 0 HJABRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)ccc1Br ZINC000009063484 569342406 /nfs/dbraw/zinc/34/24/06/569342406.db2.gz XWHZMQWLOBUVHB-UHFFFAOYSA-N 1 0 405.311 4.747 40 0 HJABRO O=C(NCCSCc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063473 569342444 /nfs/dbraw/zinc/34/24/44/569342444.db2.gz JTPIKGLYAQLZQA-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000019696156 569346770 /nfs/dbraw/zinc/34/67/70/569346770.db2.gz NLXZTAUXUNOJPB-GOSISDBHSA-N 1 0 424.932 4.590 40 0 HJABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000019702128 569347383 /nfs/dbraw/zinc/34/73/83/569347383.db2.gz DQNZFHOJBKTQII-KRWDZBQOSA-N 1 0 416.550 4.536 40 0 HJABRO Cc1cccc2c(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc(-c3cccnc3)nc12 ZINC000141550544 569354772 /nfs/dbraw/zinc/35/47/72/569354772.db2.gz MURBKLSZQFLHGG-UHFFFAOYSA-N 1 0 402.542 4.600 40 0 HJABRO Cc1cccc2c(C(=O)NCC(C)(C)[NH+]3CCCCC3)cc(-c3ccccn3)nc12 ZINC000141551554 569354840 /nfs/dbraw/zinc/35/48/40/569354840.db2.gz WPTYLRJDNLRBMG-UHFFFAOYSA-N 1 0 402.542 4.600 40 0 HJABRO CCOc1ccc2c(c1)c(C(=O)NCC1([NH+]3CCCCC3)CCCCC1)c(C)n2C ZINC000141582870 569354920 /nfs/dbraw/zinc/35/49/20/569354920.db2.gz GWTXOQGHYNHNOJ-UHFFFAOYSA-N 1 0 411.590 4.804 40 0 HJABRO COC[C@H]1CCC[N@@H+]1C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cccnc3)o2)C[C@H]1C(C)C ZINC000030882906 291276289 /nfs/dbraw/zinc/27/62/89/291276289.db2.gz GRIXRNROZSZXME-GPJHCHHRSA-N 1 0 424.589 4.640 40 0 biogenic,in-vitro HJABRO CC(C)Oc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)c1 ZINC000044916174 519782683 /nfs/dbraw/zinc/78/26/83/519782683.db2.gz CXNWZBFJSSHWAW-UHFFFAOYSA-N 1 0 412.549 4.574 40 0 HJABRO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044851609 520474490 /nfs/dbraw/zinc/47/44/90/520474490.db2.gz BAZCUYOUOMCJRN-UHFFFAOYSA-N 1 0 412.549 4.576 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044912003 521510576 /nfs/dbraw/zinc/51/05/76/521510576.db2.gz LDXJDORDRVRHRF-IBGZPJMESA-N 1 0 414.933 4.676 40 0 HJABRO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[NH+]3CCC(C)CC3)cc1)CC(C)(C)O2 ZINC000044855567 525587236 /nfs/dbraw/zinc/58/72/36/525587236.db2.gz TZXHAEFIIYGEQA-HSZRJFAPSA-N 1 0 422.569 4.959 40 0 HJABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000044855372 526174514 /nfs/dbraw/zinc/17/45/14/526174514.db2.gz HPGOXJULCLXKHY-HSZRJFAPSA-N 1 0 406.570 4.934 40 0 HJABRO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccccc3F)CC1)CC(C)(C)O2 ZINC000044855244 526180227 /nfs/dbraw/zinc/18/02/27/526180227.db2.gz UYMFFEVLVWKHOG-QFIPXVFZSA-N 1 0 410.533 4.765 40 0 HJABRO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044915800 527410807 /nfs/dbraw/zinc/41/08/07/527410807.db2.gz MNXNPNPZEABGQN-OAQYLSRUSA-N 1 0 416.496 4.907 40 0 HJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000004505542 557561451 /nfs/dbraw/zinc/56/14/51/557561451.db2.gz PQIIZICBLXVLEN-UHFFFAOYSA-N 1 0 407.510 4.624 40 0 HJABRO O[C@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@@H]1CCCC[NH2+]1 ZINC000004628938 557574161 /nfs/dbraw/zinc/57/41/61/557574161.db2.gz OCVRKDMRZFCUEE-WMLDXEAASA-N 1 0 404.354 4.962 40 0 in-man HJABRO COc1ccc(CC[NH2+][C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1OC ZINC000408734509 557800628 /nfs/dbraw/zinc/80/06/28/557800628.db2.gz WFTRPJUDYWVNQX-HSZRJFAPSA-N 1 0 424.928 4.869 40 0 HJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 ZINC000019931977 558310556 /nfs/dbraw/zinc/31/05/56/558310556.db2.gz JBNBTTDQVAZZLP-MRXNPFEDSA-N 1 0 403.419 4.997 40 0 HJABRO Cc1cc(C)n(C[C@H](O)C[N@H+](Cc2ccco2)Cc2oc3ccc(C)cc3c2C)n1 ZINC000012186024 558345256 /nfs/dbraw/zinc/34/52/56/558345256.db2.gz GMWNYRLGFSATEZ-HXUWFJFHSA-N 1 0 407.514 4.519 40 0 HJABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000012293642 558367088 /nfs/dbraw/zinc/36/70/88/558367088.db2.gz NPNNXCGYPNRXQH-PMACEKPBSA-N 1 0 422.352 4.686 40 0 HJABRO CCOc1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1OCC ZINC000020492492 558378466 /nfs/dbraw/zinc/37/84/66/558378466.db2.gz PGMDAXIHDNAWMG-UHFFFAOYSA-N 1 0 410.558 4.646 40 0 HJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2c(C)[nH]c3ccc(Cl)cc32)CC1 ZINC000012330702 558385432 /nfs/dbraw/zinc/38/54/32/558385432.db2.gz RXTQHQQFKWTSJB-UHFFFAOYSA-N 1 0 413.924 4.896 40 0 HJABRO C[NH2+]CCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000016189384 558777119 /nfs/dbraw/zinc/77/71/19/558777119.db2.gz HTEJDVAPTLEUOD-UHFFFAOYSA-N 1 0 417.764 4.934 40 0 HJABRO Clc1ccccc1COc1ccc(Br)cc1C[NH2+]C[C@H]1CCCO1 ZINC000016449951 558792283 /nfs/dbraw/zinc/79/22/83/558792283.db2.gz CTMVKODOQQDHQS-QGZVFWFLSA-N 1 0 410.739 4.950 40 0 HJABRO O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848489 558818367 /nfs/dbraw/zinc/81/83/67/558818367.db2.gz POOQJOPODHSENP-IBGZPJMESA-N 1 0 420.981 4.741 40 0 HJABRO COc1cccc(-c2n[nH]cc2C[NH2+][C@H](Cc2ccsc2)c2ncccc2C)c1 ZINC000019237655 558856809 /nfs/dbraw/zinc/85/68/09/558856809.db2.gz RZTYIBQOPANVHB-OAQYLSRUSA-N 1 0 404.539 4.924 40 0 HJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019348867 558874606 /nfs/dbraw/zinc/87/46/06/558874606.db2.gz HQAXMORTNCCEEF-RUZDIDTESA-N 1 0 409.549 4.871 40 0 HJABRO O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000019376047 558882047 /nfs/dbraw/zinc/88/20/47/558882047.db2.gz UQHDTZZQEAFGMH-NRFANRHFSA-N 1 0 414.553 4.777 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000019400601 558883112 /nfs/dbraw/zinc/88/31/12/558883112.db2.gz MIDQHRPLLIVPRJ-PGRDOPGGSA-N 1 0 409.530 4.666 40 0 HJABRO O[C@@]1(c2ccccn2)CC[C@H]2C[N@H+](Cc3ccc(OCc4cccc(F)c4)cc3)C[C@H]21 ZINC000019402288 558883823 /nfs/dbraw/zinc/88/38/23/558883823.db2.gz OFQDHCAMMRUMMC-NZJKTDFXSA-N 1 0 418.512 4.529 40 0 HJABRO CC(C)[C@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019445669 558885773 /nfs/dbraw/zinc/88/57/73/558885773.db2.gz GBYMQTPYFNAXPJ-IBGZPJMESA-N 1 0 403.313 4.626 40 0 HJABRO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000019452095 558889976 /nfs/dbraw/zinc/88/99/76/558889976.db2.gz NZECHMPIQYPGTM-HNNXBMFYSA-N 1 0 409.452 4.891 40 0 HJABRO CCc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000019522099 558903350 /nfs/dbraw/zinc/90/33/50/558903350.db2.gz UBEVQAWNMPNGOI-UHFFFAOYSA-N 1 0 404.436 4.887 40 0 HJABRO Cc1c(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)[nH]c2ccccc12 ZINC000019565878 558925741 /nfs/dbraw/zinc/92/57/41/558925741.db2.gz BNBLIEMLNLESJT-DEOSSOPVSA-N 1 0 418.585 4.987 40 0 HJABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019568921 558928160 /nfs/dbraw/zinc/92/81/60/558928160.db2.gz NUKXZYKENZPWCP-BWKNWUBXSA-N 1 0 421.585 4.854 40 0 HJABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072330773 558935104 /nfs/dbraw/zinc/93/51/04/558935104.db2.gz FFUFRNCBEZQEJL-CVDCTZTESA-N 1 0 409.574 4.514 40 0 HJABRO CN(C)c1cc(C2CC[NH+](Cc3cccc4ncccc34)CC2)nc(-c2ccncc2)n1 ZINC000019584616 558938655 /nfs/dbraw/zinc/93/86/55/558938655.db2.gz FEJNVQBSWDCGAZ-UHFFFAOYSA-N 1 0 424.552 4.532 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 ZINC000072341442 558939750 /nfs/dbraw/zinc/93/97/50/558939750.db2.gz QCWKLVUBLXGGEI-UNMCSNQZSA-N 1 0 421.566 4.535 40 0 HJABRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)c(C)c1C ZINC000019690826 558960270 /nfs/dbraw/zinc/96/02/70/558960270.db2.gz FVNQOMLJTVSNOO-QHCPKHFHSA-N 1 0 417.557 4.700 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c2cc(F)ccc21 ZINC000072375753 558964694 /nfs/dbraw/zinc/96/46/94/558964694.db2.gz KSKAOXYDUFMMJS-OAQYLSRUSA-N 1 0 402.477 4.583 40 0 HJABRO Fc1ccccc1OCCc1cc([C@@H]2CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)[nH]n1 ZINC000072378357 558967492 /nfs/dbraw/zinc/96/74/92/558967492.db2.gz UPVFZBIJGZBFGI-QHCPKHFHSA-N 1 0 404.489 4.989 40 0 HJABRO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000072388973 558969391 /nfs/dbraw/zinc/96/93/91/558969391.db2.gz KVVHGIDFPXOQHE-IDISGSTGSA-N 1 0 413.565 4.533 40 0 HJABRO CN(C)C(=O)[C@]1(Cc2ccccc2-c2cccs2)CCC[N@H+](Cc2ccncc2)C1 ZINC000072391193 558971199 /nfs/dbraw/zinc/97/11/99/558971199.db2.gz AQPWHURBPBIETE-VWLOTQADSA-N 1 0 419.594 4.723 40 0 HJABRO CC1CC[NH+](CC(=O)N2CCC[C@@H](c3[nH]c4ccccc4c3-c3ccncc3)C2)CC1 ZINC000072396385 558975297 /nfs/dbraw/zinc/97/52/97/558975297.db2.gz CMXMGZAFDBZNJY-OAQYLSRUSA-N 1 0 416.569 4.668 40 0 HJABRO Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[NH+]4CCCCC4)C3)c(-c3ccncc3)c2c1 ZINC000072396630 558975608 /nfs/dbraw/zinc/97/56/08/558975608.db2.gz SYHHILDUADPGGW-NRFANRHFSA-N 1 0 416.569 4.730 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000072398606 558976040 /nfs/dbraw/zinc/97/60/40/558976040.db2.gz SLWQLUZMKVLMLA-URXFXBBRSA-N 1 0 423.601 4.823 40 0 HJABRO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCC[N@@H+]2C[C@@H]2CCCO2)CC1 ZINC000585100117 559023871 /nfs/dbraw/zinc/02/38/71/559023871.db2.gz FZISPMPHDNIOLO-BKMJKUGQSA-N 1 0 423.601 4.517 40 0 HJABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2cccc(C)c2)CC1 ZINC000585166185 559067107 /nfs/dbraw/zinc/06/71/07/559067107.db2.gz OFWUNTYLGJYBFW-UHFFFAOYSA-N 1 0 413.565 4.628 40 0 HJABRO COc1ccccc1-c1cccc(C[N@@H+]2CCC[C@H]2c2ccnc(CNC(C)=O)c2)c1 ZINC000585261968 559109643 /nfs/dbraw/zinc/10/96/43/559109643.db2.gz VDEGQFZYSJVJTR-VWLOTQADSA-N 1 0 415.537 4.730 40 0 HJABRO Clc1ccc2ncc(-c3cccc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)n3)n2c1 ZINC000585263017 559111394 /nfs/dbraw/zinc/11/13/94/559111394.db2.gz VSPDOXKUEUSWPD-GOSISDBHSA-N 1 0 403.917 4.824 40 0 HJABRO O[C@]1(COc2ccc(Cl)cc2)COCC[N@@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585282011 559119763 /nfs/dbraw/zinc/11/97/63/559119763.db2.gz FMJNWMLOUWFYQV-SSPYTLHUSA-N 1 0 415.961 4.509 40 0 HJABRO COc1cccc(CN2CC=CC[C@@H](C3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000072371050 559186449 /nfs/dbraw/zinc/18/64/49/559186449.db2.gz XAPIRXWUEPGRBN-VWLOTQADSA-N 1 0 404.554 4.512 40 0 HJABRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@@H]1CC[C@@H](C)C[NH2+]1 ZINC000118924129 559205885 /nfs/dbraw/zinc/20/58/85/559205885.db2.gz IRRHFODGOMSPEE-WZWYYBJESA-N 1 0 415.662 4.921 40 0 HJABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23CO)[N@H+]2C[C@@H](C)CC[C@@H]12 ZINC000118936397 559206623 /nfs/dbraw/zinc/20/66/23/559206623.db2.gz NMFWDNZLNHRNAT-CAKNJAFZSA-N 1 0 413.646 4.627 40 0 HJABRO CC1CC[NH+](CCCNC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1 ZINC000004971400 560622585 /nfs/dbraw/zinc/62/25/85/560622585.db2.gz CEPFIHRAIBSKMD-UHFFFAOYSA-N 1 0 413.562 4.742 40 0 HJABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000006548100 560744054 /nfs/dbraw/zinc/74/40/54/560744054.db2.gz IJEBESKWSHEKRW-UHFFFAOYSA-N 1 0 408.354 4.716 40 0 HJABRO S=C(Nc1cccc2ncccc21)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000208215363 568443576 /nfs/dbraw/zinc/44/35/76/568443576.db2.gz PVKAJFSHLMPSIT-PLXZFBFJSA-N 1 0 418.610 4.827 40 0 HJABRO CC[N@H+](CCCNCc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1 ZINC000057761906 568496972 /nfs/dbraw/zinc/49/69/72/568496972.db2.gz WOEAMYYAMKYEMO-UHFFFAOYSA-N 1 0 418.463 4.757 40 0 HJABRO CCc1cc(C(F)(F)F)n2nc([C@@H]3CC[N@@H+]([C@@H](C)Cc4ccc(F)cc4)C3)cc2n1 ZINC000057774661 568497485 /nfs/dbraw/zinc/49/74/85/568497485.db2.gz CZBRAZBQHFURHJ-GOEBONIOSA-N 1 0 420.454 4.870 40 0 HJABRO CC(C)n1c(SCc2cccnc2)nnc1[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000026441103 568549519 /nfs/dbraw/zinc/54/95/19/568549519.db2.gz WUTVHCSTJCFCEX-SFHVURJKSA-N 1 0 413.616 4.987 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3cccc4ccccc43)CC2)cc1 ZINC000223554848 568551610 /nfs/dbraw/zinc/55/16/10/568551610.db2.gz HWBUGXWCBKJJNG-UHFFFAOYSA-N 1 0 402.538 4.555 40 0 HJABRO Cc1cc(C)cc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000224055234 568568103 /nfs/dbraw/zinc/56/81/03/568568103.db2.gz HADQNAKBEKNYRK-UHFFFAOYSA-N 1 0 414.549 4.671 40 0 HJABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1Cl ZINC000224167746 568572215 /nfs/dbraw/zinc/57/22/15/568572215.db2.gz TUHCNMRLWGRGHN-UHFFFAOYSA-N 1 0 421.368 4.709 40 0 HJABRO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000224276248 568576155 /nfs/dbraw/zinc/57/61/55/568576155.db2.gz HPJNPWGWXKEKPZ-UHFFFAOYSA-N 1 0 410.996 4.543 40 0 HJABRO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000224327409 568577942 /nfs/dbraw/zinc/57/79/42/568577942.db2.gz JLQCBSUCJKFBKK-UHFFFAOYSA-N 1 0 412.946 4.709 40 0 HJABRO O=C(CSCc1cccc(Cl)c1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645389 568590347 /nfs/dbraw/zinc/59/03/47/568590347.db2.gz YTUXNHWPJOCKJS-UHFFFAOYSA-N 1 0 402.991 4.876 40 0 HJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Br)cc1F ZINC000225582527 568653944 /nfs/dbraw/zinc/65/39/44/568653944.db2.gz XNMQYJOPXGUFGE-CQSZACIVSA-N 1 0 402.377 4.529 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225636587 568659020 /nfs/dbraw/zinc/65/90/20/568659020.db2.gz NHAICCMXTWFFBM-HYBUGGRVSA-N 1 0 402.579 4.721 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCCCC1 ZINC000225657071 568660739 /nfs/dbraw/zinc/66/07/39/568660739.db2.gz PKDNTPUNIXMAQY-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225662753 568661419 /nfs/dbraw/zinc/66/14/19/568661419.db2.gz UBNRRRAXCYOQDU-YKSBVNFPSA-N 1 0 402.579 4.865 40 0 HJABRO CC(C)c1nc(Cc2ccc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000225902101 568684812 /nfs/dbraw/zinc/68/48/12/568684812.db2.gz AIMPRTXYLAWPDI-OAQYLSRUSA-N 1 0 418.541 4.635 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260812496 568739939 /nfs/dbraw/zinc/73/99/39/568739939.db2.gz DFNLXPQWIMXCRU-MZLICYQSSA-N 1 0 402.579 4.864 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260812577 568739959 /nfs/dbraw/zinc/73/99/59/568739959.db2.gz GWWAIPLRLWPOJE-JXALWOEJSA-N 1 0 402.579 4.721 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814549 568740104 /nfs/dbraw/zinc/74/01/04/568740104.db2.gz KNHXFUCDABLGTH-DCLXLUIPSA-N 1 0 402.579 4.721 40 0 HJABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260814465 568740118 /nfs/dbraw/zinc/74/01/18/568740118.db2.gz ISPORDSIKQPKTC-VIHQBZHPSA-N 1 0 402.579 4.721 40 0 HJABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCC(C)CC1 ZINC000260816752 568740140 /nfs/dbraw/zinc/74/01/40/568740140.db2.gz PRKKASLBYUFVRH-ITGJCUMNSA-N 1 0 402.579 4.864 40 0 HJABRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000247867234 568745781 /nfs/dbraw/zinc/74/57/81/568745781.db2.gz JLXOAABJPNYWPB-CHZKFRDHSA-N 1 0 418.585 4.555 40 0 HJABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)no1 ZINC000257214136 568780260 /nfs/dbraw/zinc/78/02/60/568780260.db2.gz CKSANHZVASLLBH-KRWDZBQOSA-N 1 0 401.938 4.770 40 0 HJABRO CN(C)c1cc([C@H]2CCC[N@H+](Cc3ccccc3OCc3ccccn3)C2)ccn1 ZINC000257233003 568785619 /nfs/dbraw/zinc/78/56/19/568785619.db2.gz GNIFMUBSJALMLF-NRFANRHFSA-N 1 0 402.542 4.501 40 0 HJABRO Cc1cc(C)nc(Nc2cncc(C3CC[NH+](Cc4ccccc4Cl)CC3)n2)n1 ZINC000257234545 568786211 /nfs/dbraw/zinc/78/62/11/568786211.db2.gz GUBPIFTYAMELFI-UHFFFAOYSA-N 1 0 408.937 4.660 40 0 HJABRO O=C1CCCC[C@@H]2[C@H](CC[N@@H+]2Cc2cccc3cccnc32)N1Cc1ccccc1F ZINC000257255752 568791976 /nfs/dbraw/zinc/79/19/76/568791976.db2.gz KIRXCKDIVFGEEM-RPWUZVMVSA-N 1 0 417.528 4.920 40 0 HJABRO Cc1nc2cc(C)ccn2c1C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257269373 568795424 /nfs/dbraw/zinc/79/54/24/568795424.db2.gz MPRORDNQTRBNDL-UHFFFAOYSA-N 1 0 412.541 4.864 40 0 HJABRO CCn1c(C[N@@H+]2CC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)nc2ccccc21 ZINC000257287098 568800599 /nfs/dbraw/zinc/80/05/99/568800599.db2.gz POMXOROOVIRAGU-QGZVFWFLSA-N 1 0 418.570 4.949 40 0 HJABRO CCCOc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 ZINC000257310766 568807465 /nfs/dbraw/zinc/80/74/65/568807465.db2.gz UGLNYQQGGCSYEI-OAQYLSRUSA-N 1 0 424.589 4.594 40 0 HJABRO CC(C)CN1C[C@]2(C[NH2+]C[C@@H]2c2ccc(F)cc2)N(c2ccc(Cl)cc2)C1=O ZINC000257334027 568814192 /nfs/dbraw/zinc/81/41/92/568814192.db2.gz YEFFWMVGGIIPNT-IRLDBZIGSA-N 1 0 401.913 4.503 40 0 HJABRO COc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4ccccn4)C3)c2)c1 ZINC000257343862 568817157 /nfs/dbraw/zinc/81/71/57/568817157.db2.gz ZURUCWHSQXZXLX-SFHVURJKSA-N 1 0 402.498 4.557 40 0 HJABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000328971644 568970541 /nfs/dbraw/zinc/97/05/41/568970541.db2.gz DQZYZJNMTFJSEL-UHFFFAOYSA-N 1 0 409.331 4.722 40 0 HJABRO Cc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329017462 568972923 /nfs/dbraw/zinc/97/29/23/568972923.db2.gz NMILCPAXICMJAD-UHFFFAOYSA-N 1 0 406.452 4.991 40 0 HJABRO CCC[NH+](CCC)[C@@H]1CCc2cc(CS(=O)(=O)c3ccc(OC)cc3)ccc2C1 ZINC000003824084 569016850 /nfs/dbraw/zinc/01/68/50/569016850.db2.gz HUXFXXWYIRBVJR-JOCHJYFZSA-N 1 0 415.599 4.648 40 0 in-vivo HJABRO O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199333 569059074 /nfs/dbraw/zinc/05/90/74/569059074.db2.gz ZXJAOWMVDHPZJN-XIUDZHQXSA-N 1 0 403.570 4.522 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000009062889 569342274 /nfs/dbraw/zinc/34/22/74/569342274.db2.gz RTPYUJHZXGQNTJ-UHFFFAOYSA-N 1 0 402.991 4.769 40 0 HJABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019450624 569345366 /nfs/dbraw/zinc/34/53/66/569345366.db2.gz DNRLMGSKDNJJNY-XUZZJYLKSA-N 1 0 423.601 4.984 40 0 HJABRO O=C1CCC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccc3cccnc32)N1Cc1ccc(F)cc1 ZINC000019713270 569348383 /nfs/dbraw/zinc/34/83/83/569348383.db2.gz BINLLWGAIQKFEZ-DHIUTWEWSA-N 1 0 403.501 4.530 40 0 HJABRO C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)n1 ZINC000328984505 571304403 /nfs/dbraw/zinc/30/44/03/571304403.db2.gz HNSRWOSENVMUAC-UHFFFAOYSA-N 1 0 415.463 5.270 40 0 HJABRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 ZINC000006517630 132311394 /nfs/dbraw/zinc/31/13/94/132311394.db2.gz BNAOKLHJKJYOPW-ONNFQVAWSA-N 1 0 404.341 4.787 40 0 HJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856868 522784049 /nfs/dbraw/zinc/78/40/49/522784049.db2.gz LPDGMLACXOFFCI-JOCHJYFZSA-N 1 0 410.558 4.961 40 0 HJABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872944 522876742 /nfs/dbraw/zinc/87/67/42/522876742.db2.gz MIYNADXRFSZINS-VWLOTQADSA-N 1 0 402.538 4.909 40 0 HJABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875304 522897710 /nfs/dbraw/zinc/89/77/10/522897710.db2.gz CIVLIGJVYIVBGN-NRFANRHFSA-N 1 0 400.950 4.800 40 0 HJABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044786799 524001520 /nfs/dbraw/zinc/00/15/20/524001520.db2.gz FJVBFBGXYQZAQA-IBGZPJMESA-N 1 0 407.558 4.843 40 0 HJABRO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000044937311 525173588 /nfs/dbraw/zinc/17/35/88/525173588.db2.gz QAMHHBDEPVGGFB-XMMPIXPASA-N 1 0 412.549 4.950 40 0 HJABRO O=C(NCCSCc1ccccc1F)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044909021 526373268 /nfs/dbraw/zinc/37/32/68/526373268.db2.gz CHOKABHCBDHLEY-SFHVURJKSA-N 1 0 420.981 4.741 40 0 HJABRO CCc1[nH]c2ccccc2c1N1C(=O)CC2(CC[NH+](Cc3ccccc3)CC2)CC1=O ZINC000001705567 557281929 /nfs/dbraw/zinc/28/19/29/557281929.db2.gz QWCAWFATBCSHJM-UHFFFAOYSA-N 1 0 415.537 4.666 40 0 HJABRO C[NH+](C)CCOc1c(Br)cc(Br)cc1Cc1ccccc1 ZINC000001734051 557283522 /nfs/dbraw/zinc/28/35/22/557283522.db2.gz KADIZPZKWNGEAF-UHFFFAOYSA-N 1 0 413.153 4.743 40 0 HJABRO O=C(C(c1ccccc1)c1ccccc1)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000408613027 557531215 /nfs/dbraw/zinc/53/12/15/557531215.db2.gz WLXKKTAGZKQNFI-UHFFFAOYSA-N 1 0 410.561 4.868 40 0 HJABRO COCc1cc(C[N@@H+]2CCC[C@@H](c3ccc4c(C)nn(C)c4n3)C2)ccc1OC(C)C ZINC000019742508 558262973 /nfs/dbraw/zinc/26/29/73/558262973.db2.gz YXCXPUAYPZSVCG-HXUWFJFHSA-N 1 0 422.573 4.590 40 0 HJABRO CC(C)(C)c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293570 558366731 /nfs/dbraw/zinc/36/67/31/558366731.db2.gz JDWBHSUFEBWAMY-FCHUYYIVSA-N 1 0 413.533 4.507 40 0 HJABRO CCn1cc(C[NH+]2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c2ccc(F)cc21 ZINC000012328876 558383776 /nfs/dbraw/zinc/38/37/76/558383776.db2.gz LYSSWRBDYZTCKQ-UHFFFAOYSA-N 1 0 411.496 4.567 40 0 HJABRO Cc1ccccc1CSCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039767506 558686118 /nfs/dbraw/zinc/68/61/18/558686118.db2.gz GWABDFVOSXVSLS-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO O=C(NCCSCc1ccccc1Cl)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039751365 558687020 /nfs/dbraw/zinc/68/70/20/558687020.db2.gz FUMVMWQAVAVOTP-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO CCOC(=O)c1oc2ccc(Cl)cc2c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000015017526 558702675 /nfs/dbraw/zinc/70/26/75/558702675.db2.gz JIYSFMHUVMRMOO-UHFFFAOYSA-N 1 0 404.938 4.713 40 0 HJABRO CCOc1cc(C[NH2+][C@@H](C)C(C)(C)C)ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000036612639 558728063 /nfs/dbraw/zinc/72/80/63/558728063.db2.gz SBADCTQNEPPYJN-MOPGFXCFSA-N 1 0 412.574 4.866 40 0 HJABRO CCOc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000036612640 558728073 /nfs/dbraw/zinc/72/80/73/558728073.db2.gz SBADCTQNEPPYJN-RBUKOAKNSA-N 1 0 412.574 4.866 40 0 HJABRO COc1cc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1OC(C)C ZINC000030860105 558741612 /nfs/dbraw/zinc/74/16/12/558741612.db2.gz RCGANABLQYDSPQ-LJQANCHMSA-N 1 0 410.558 4.644 40 0 HJABRO COc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(OC)cc1Cl ZINC000030942670 558745626 /nfs/dbraw/zinc/74/56/26/558745626.db2.gz DYGTZIVAVWVKFT-OAHLLOKOSA-N 1 0 423.340 4.861 40 0 HJABRO C[C@@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016576469 558796181 /nfs/dbraw/zinc/79/61/81/558796181.db2.gz UFJWAWLCPUUMFY-LLVKDONJSA-N 1 0 419.146 4.805 40 0 HJABRO Cc1cc(C)n(-c2cccc(C[N@@H+](CCCn3ccnc3)Cc3ccc(C)o3)c2)n1 ZINC000036740271 558801635 /nfs/dbraw/zinc/80/16/35/558801635.db2.gz MFOKZHCYVWHTRY-UHFFFAOYSA-N 1 0 403.530 4.680 40 0 HJABRO Cc1nccn1-c1ccc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000036740542 558801800 /nfs/dbraw/zinc/80/18/00/558801800.db2.gz BELWEFBLHOTSDD-UHFFFAOYSA-N 1 0 417.601 4.887 40 0 HJABRO Cc1ccc(CSCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038837182 558818121 /nfs/dbraw/zinc/81/81/21/558818121.db2.gz KMXZEBDIPPFYOL-OAQYLSRUSA-N 1 0 417.018 4.910 40 0 HJABRO O=C(NCCSCc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038836997 558818164 /nfs/dbraw/zinc/81/81/64/558818164.db2.gz IXNHLSUTNVCVPI-FQEVSTJZSA-N 1 0 402.991 4.602 40 0 HJABRO O=C(NCCSCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848546 558818224 /nfs/dbraw/zinc/81/82/24/558818224.db2.gz JDTGIFPLIHJTAG-LJQANCHMSA-N 1 0 420.981 4.741 40 0 HJABRO Cc1ccccc1CSCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000038852955 558819060 /nfs/dbraw/zinc/81/90/60/558819060.db2.gz GGMUDCCADSRRHY-HXUWFJFHSA-N 1 0 417.018 4.910 40 0 HJABRO Cc1c2cc(C)ccc2oc1C[NH2+][C@H](c1cc(=O)[nH]c(-c2cccnc2)n1)C(C)C ZINC000019220512 558851637 /nfs/dbraw/zinc/85/16/37/558851637.db2.gz JMBUHPSKSACYBA-QHCPKHFHSA-N 1 0 402.498 4.682 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019236818 558855895 /nfs/dbraw/zinc/85/58/95/558855895.db2.gz CYNZVDQDPCZVBW-BWKNWUBXSA-N 1 0 417.528 4.912 40 0 HJABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000019292952 558864641 /nfs/dbraw/zinc/86/46/41/558864641.db2.gz OIGJHOOUOCYAQC-IPJJNNNSSA-N 1 0 416.537 4.643 40 0 HJABRO O=C(C1CCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019343534 558872481 /nfs/dbraw/zinc/87/24/81/558872481.db2.gz IZYFIWABDUMHNV-NJDAHSKKSA-N 1 0 400.613 4.816 40 0 HJABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1)c1cccc(F)c1 ZINC000019348873 558874610 /nfs/dbraw/zinc/87/46/10/558874610.db2.gz DANQPOBSUIBBIM-XMMPIXPASA-N 1 0 421.491 4.743 40 0 HJABRO O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000019368456 558877453 /nfs/dbraw/zinc/87/74/53/558877453.db2.gz LMMTWOCWLKMWEA-UHFFFAOYSA-N 1 0 410.905 4.557 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019370347 558878363 /nfs/dbraw/zinc/87/83/63/558878363.db2.gz HVAAQCQXBXDJRA-ZEVJAHDQSA-N 1 0 403.570 4.550 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019370411 558878585 /nfs/dbraw/zinc/87/85/85/558878585.db2.gz YGSPJKBUGCSNDZ-AREMUKBSSA-N 1 0 417.528 4.533 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449649 558888304 /nfs/dbraw/zinc/88/83/04/558888304.db2.gz YCPRUTBGJVWZLL-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)Oc1cccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019450830 558889093 /nfs/dbraw/zinc/88/90/93/558889093.db2.gz AXHOXKJVIUYWDT-XMMPIXPASA-N 1 0 423.601 4.984 40 0 HJABRO CCc1oc(C(=O)N2CCC(Oc3ccccc3F)CC2)cc1C[NH+]1CCCCC1 ZINC000019521494 558902881 /nfs/dbraw/zinc/90/28/81/558902881.db2.gz GASYEUAXGCZCRC-UHFFFAOYSA-N 1 0 414.521 4.651 40 0 HJABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019568966 558928051 /nfs/dbraw/zinc/92/80/51/558928051.db2.gz NCCGPZKAXYQFCC-CVDCTZTESA-N 1 0 421.566 4.535 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000072330594 558935185 /nfs/dbraw/zinc/93/51/85/558935185.db2.gz JJKKJDIFSMJYBC-DHLKQENFSA-N 1 0 421.585 4.577 40 0 HJABRO CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000072344935 558941288 /nfs/dbraw/zinc/94/12/88/558941288.db2.gz KDKJKODGQWYKMP-OAQYLSRUSA-N 1 0 410.562 4.549 40 0 HJABRO Clc1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(CN3CC[NH2+]CC3)n2c1 ZINC000022464781 558945082 /nfs/dbraw/zinc/94/50/82/558945082.db2.gz UCXLTHZDYNUZTC-UHFFFAOYSA-N 1 0 402.929 4.727 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072352446 558948804 /nfs/dbraw/zinc/94/88/04/558948804.db2.gz YYQLRBMNZHLZGM-QGZVFWFLSA-N 1 0 401.535 4.799 40 0 HJABRO COCc1cc(C[N@@H+]2CCC[C@H]2c2ccc(-c3cnn(C)c3)cn2)ccc1OC(C)C ZINC000072374117 558961484 /nfs/dbraw/zinc/96/14/84/558961484.db2.gz FYSDGIAADJVPTM-DEOSSOPVSA-N 1 0 420.557 4.753 40 0 HJABRO COc1cccc(C(=O)N2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)c1 ZINC000072374825 558962766 /nfs/dbraw/zinc/96/27/66/558962766.db2.gz DMDHBJCZIGMUAD-HXUWFJFHSA-N 1 0 416.525 4.865 40 0 HJABRO CC[NH+](CC)[C@@H](C(=O)N1CCc2nc(-c3ccc(F)cc3)sc2C1)c1ccccc1 ZINC000072391993 558971827 /nfs/dbraw/zinc/97/18/27/558971827.db2.gz ZUSSGRKQBBZRFS-JOCHJYFZSA-N 1 0 423.557 4.917 40 0 HJABRO Cc1nccn1CC1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3sccn23)CC1 ZINC000019715784 558976990 /nfs/dbraw/zinc/97/69/90/558976990.db2.gz PPDDWPJJUQLHGI-UHFFFAOYSA-N 1 0 409.534 4.619 40 0 HJABRO C[C@@H]([NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)/C=C/c1ccccc1)c1ccccc1 ZINC000095951568 559089427 /nfs/dbraw/zinc/08/94/27/559089427.db2.gz RQUOXSVJZAAWGN-NELPEVFNSA-N 1 0 422.569 4.791 40 0 HJABRO COc1ccc(C[NH+]2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)cc1 ZINC000096038202 559091824 /nfs/dbraw/zinc/09/18/24/559091824.db2.gz LUKOKISNWZMNJU-UHFFFAOYSA-N 1 0 416.500 4.924 40 0 HJABRO COc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC(C)C)c2ccccc2O3)cc1 ZINC000096053324 559093164 /nfs/dbraw/zinc/09/31/64/559093164.db2.gz ONUQZAZVBXDEQP-NRFANRHFSA-N 1 0 422.569 4.511 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NCC(C)C)c2ccccc2O3)o1 ZINC000096053517 559093571 /nfs/dbraw/zinc/09/35/71/559093571.db2.gz WANOWQFZGTVXDR-HXUWFJFHSA-N 1 0 410.558 4.651 40 0 HJABRO Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C(C)C)c(N4CCCC4)n3)CC2)o1 ZINC000096099994 559095248 /nfs/dbraw/zinc/09/52/48/559095248.db2.gz PNTIUCACTHGTFY-UHFFFAOYSA-N 1 0 407.562 4.893 40 0 HJABRO COc1cccc(N[C@H]2COC3(C2)CC[NH+](Cc2ccc(Cl)c(F)c2)CC3)c1 ZINC000096221484 559102179 /nfs/dbraw/zinc/10/21/79/559102179.db2.gz ZZJCFSWPNLPCOJ-GOSISDBHSA-N 1 0 404.913 4.723 40 0 HJABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3cncc(-c4cccc(C)c4)n3)C2)cc1 ZINC000072359719 559186229 /nfs/dbraw/zinc/18/62/29/559186229.db2.gz TWLKATWOGCRISI-QFIPXVFZSA-N 1 0 400.526 4.790 40 0 HJABRO COc1ccccc1C[NH+]1CCC(Cc2ccccc2-c2ccccc2)(C(N)=O)CC1 ZINC000257335362 559283346 /nfs/dbraw/zinc/28/33/46/559283346.db2.gz YJVWEQWTSLPZLK-UHFFFAOYSA-N 1 0 414.549 4.672 40 0 HJABRO CC(=O)NCc1cc([C@H]2CCC[N@@H+]2Cc2ccccc2OCc2ccccc2)ccn1 ZINC000257297920 559285872 /nfs/dbraw/zinc/28/58/72/559285872.db2.gz RJIPKYROXBONLD-RUZDIDTESA-N 1 0 415.537 4.634 40 0 HJABRO O=C(C[NH+]1CCC(n2nnc3ccccc32)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000004895131 560610928 /nfs/dbraw/zinc/61/09/28/560610928.db2.gz HFTDLYLFJPMYRP-UHFFFAOYSA-N 1 0 423.605 4.562 40 0 HJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 ZINC000004882533 560614778 /nfs/dbraw/zinc/61/47/78/560614778.db2.gz NJVPMCYQFRGQLC-XSNACQMZSA-N 1 0 407.602 4.840 40 0 HJABRO C[NH+](C)CC(C)(C)CNc1c2c(nc3cc(-c4cccc(Cl)c4)nn31)CCCC2 ZINC000004980789 560623096 /nfs/dbraw/zinc/62/30/96/560623096.db2.gz PAYYKHCPUKMISR-UHFFFAOYSA-N 1 0 411.981 4.928 40 0 HJABRO C=C1[NH+]=C(SCCCC)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408986332 560661616 /nfs/dbraw/zinc/66/16/16/560661616.db2.gz BVQCJXUDVUDEMT-INIZCTEOSA-N 1 0 411.365 4.820 40 0 HJABRO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@H]3C[N@@H+]2C1 ZINC000108235059 560898553 /nfs/dbraw/zinc/89/85/53/560898553.db2.gz NEMWYOKGHGSVSC-LNHKRLHCSA-N 1 0 415.662 4.563 40 0 biogenic HJABRO CCOc1c(Br)cc(Br)cc1C[NH2+]CCc1ccccc1 ZINC000022074363 568473792 /nfs/dbraw/zinc/47/37/92/568473792.db2.gz YARGJKZXRNIJJN-UHFFFAOYSA-N 1 0 413.153 4.943 40 0 HJABRO COc1ccc(-n2ncc3c2CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C3)cc1 ZINC000057743547 568495549 /nfs/dbraw/zinc/49/55/49/568495549.db2.gz DMGNQYSRIYZVAS-UHFFFAOYSA-N 1 0 401.432 4.848 40 0 HJABRO O=C(Cc1ccc(F)cc1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000057773927 568497360 /nfs/dbraw/zinc/49/73/60/568497360.db2.gz JCJRDRMQBOUQLG-ISKFKSNPSA-N 1 0 406.545 4.662 40 0 HJABRO COc1ccc(-c2nnc(NC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)s2)cc1 ZINC000223443476 568549043 /nfs/dbraw/zinc/54/90/43/568549043.db2.gz PHJMOWDGCQKFDM-UHFFFAOYSA-N 1 0 422.554 4.842 40 0 HJABRO CC(C)(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000223717799 568557273 /nfs/dbraw/zinc/55/72/73/568557273.db2.gz MWZVIQYZUHZPML-UHFFFAOYSA-N 1 0 412.549 4.530 40 0 HJABRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000223954320 568564369 /nfs/dbraw/zinc/56/43/69/568564369.db2.gz WWPGPFWGIMSAPJ-IBGZPJMESA-N 1 0 410.558 4.997 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccc(C(C)(C)C)cc3)CC2)cc1 ZINC000224531689 568583896 /nfs/dbraw/zinc/58/38/96/568583896.db2.gz KLNPFDFSEIPRAA-UHFFFAOYSA-N 1 0 408.586 4.700 40 0 HJABRO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000224642724 568590303 /nfs/dbraw/zinc/59/03/03/568590303.db2.gz XYVBADRXHGOANN-UHFFFAOYSA-N 1 0 410.996 4.544 40 0 HJABRO O=C(CSCc1ccccc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645334 568590388 /nfs/dbraw/zinc/59/03/88/568590388.db2.gz AUDVHHMSNDKIHO-UHFFFAOYSA-N 1 0 402.991 4.876 40 0 HJABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788037 568596785 /nfs/dbraw/zinc/59/67/85/568596785.db2.gz ZHIPGMLVRMBXQV-DEOSSOPVSA-N 1 0 402.538 4.909 40 0 HJABRO CC[C@H]1CN2CC[C@H]1C[C@@H]2C[NH+](Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000020462703 568609852 /nfs/dbraw/zinc/60/98/52/568609852.db2.gz UEVLBOFOSJDJHO-KMDXXIMOSA-N 1 0 408.586 4.826 40 0 biogenic,in-vitro HJABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225640910 568659175 /nfs/dbraw/zinc/65/91/75/568659175.db2.gz ISPORDSIKQPKTC-ITGJCUMNSA-N 1 0 402.579 4.721 40 0 HJABRO C[C@H]1CCC[N@H+](CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 ZINC000225736780 568669695 /nfs/dbraw/zinc/66/96/95/568669695.db2.gz VUUSOWIZNLYDSB-LBPRGKRZSA-N 1 0 404.805 4.511 40 0 HJABRO Cc1ccc(-c2nnc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)s2)cc1 ZINC000225820661 568677450 /nfs/dbraw/zinc/67/74/50/568677450.db2.gz SSBHPWLCOWUQSG-QGZVFWFLSA-N 1 0 406.555 4.998 40 0 HJABRO CC(C)c1nc(Cc2ccc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)cc2)no1 ZINC000225902116 568684871 /nfs/dbraw/zinc/68/48/71/568684871.db2.gz AIMPRTXYLAWPDI-NRFANRHFSA-N 1 0 418.541 4.635 40 0 HJABRO COc1ccc(-c2nnc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)s2)cc1 ZINC000260743570 568737092 /nfs/dbraw/zinc/73/70/92/568737092.db2.gz LVCCNWNMDWCXLE-INIZCTEOSA-N 1 0 422.554 4.698 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCC1 ZINC000260818240 568740705 /nfs/dbraw/zinc/74/07/05/568740705.db2.gz YXSZOVVFSRZCMZ-FQEVSTJZSA-N 1 0 402.579 4.865 40 0 HJABRO COc1cc(C)ccc1C[NH+]1CCC(c2cncc(Nc3nc(C)cs3)n2)CC1 ZINC000257248276 568789728 /nfs/dbraw/zinc/78/97/28/568789728.db2.gz JCXKHIFBYFHEFM-UHFFFAOYSA-N 1 0 409.559 4.682 40 0 HJABRO COc1ccc([C@H]2C[N@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)OC(C)C)C[C@@H]32)cc1 ZINC000257249349 568790058 /nfs/dbraw/zinc/79/00/58/568790058.db2.gz JHVIDJXUMHXUKH-WXFUMESZSA-N 1 0 408.542 4.530 40 0 HJABRO Cc1cccc(Nc2cncc(C3CC[NH+](Cc4cn(C)c5ccccc45)CC3)n2)n1 ZINC000257322478 568811286 /nfs/dbraw/zinc/81/12/86/568811286.db2.gz WGDGPXYEHKQGJM-UHFFFAOYSA-N 1 0 412.541 4.795 40 0 HJABRO CC(C)n1cc(C[N@@H+]2CCC[C@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 ZINC000306127446 568890234 /nfs/dbraw/zinc/89/02/34/568890234.db2.gz FYTKSXZBOUFSAW-IBGZPJMESA-N 1 0 406.559 4.615 40 0 HJABRO CC(C)n1cc(C[NH+]2CCC3(CC2)Oc2ccccc2-c2c3cnn2C(C)C)cn1 ZINC000306135648 568897456 /nfs/dbraw/zinc/89/74/56/568897456.db2.gz OWTVHQSYMMSBTB-UHFFFAOYSA-N 1 0 405.546 4.792 40 0 HJABRO c1coc(C[N@@H+]2CC[C@]3(c4ccccc4)CCc4ncc(-c5ccncc5)n4C[C@@H]23)c1 ZINC000306141511 568902948 /nfs/dbraw/zinc/90/29/48/568902948.db2.gz VYQVBDIBROBISY-RSXGOPAZSA-N 1 0 410.521 4.697 40 0 HJABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329022679 568973335 /nfs/dbraw/zinc/97/33/35/568973335.db2.gz OPHBSHBTZUSGKG-UHFFFAOYSA-N 1 0 401.352 4.855 40 0 HJABRO CCc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329045929 568974550 /nfs/dbraw/zinc/97/45/50/568974550.db2.gz TXMGYPOMSUGWSH-UHFFFAOYSA-N 1 0 406.452 4.855 40 0 HJABRO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199090 569059011 /nfs/dbraw/zinc/05/90/11/569059011.db2.gz SCPFIOQUNAJIQW-DJCWJLACSA-N 1 0 417.597 4.912 40 0 HJABRO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000253594241 569318349 /nfs/dbraw/zinc/31/83/49/569318349.db2.gz SWRULZWHTDBBPH-FPGHNAPASA-N 1 0 421.585 4.521 40 0 HJABRO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062973 569342231 /nfs/dbraw/zinc/34/22/31/569342231.db2.gz YXKXKHSXLYWCOG-UHFFFAOYSA-N 1 0 408.542 4.803 40 0 HJABRO COc1cc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(OC)cc1Cl ZINC000009063444 569342434 /nfs/dbraw/zinc/34/24/34/569342434.db2.gz YHLYDQVXEOXURV-UHFFFAOYSA-N 1 0 423.340 4.861 40 0 HJABRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063375 569342462 /nfs/dbraw/zinc/34/24/62/569342462.db2.gz IKJJJTWWZKPVCC-UHFFFAOYSA-N 1 0 407.739 4.953 40 0 HJABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019133383 569345326 /nfs/dbraw/zinc/34/53/26/569345326.db2.gz FFUFRNCBEZQEJL-AUSIDOKSSA-N 1 0 409.574 4.514 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cccs1 ZINC000019348967 569345374 /nfs/dbraw/zinc/34/53/74/569345374.db2.gz FICZDQUATVLFHZ-PGRDOPGGSA-N 1 0 409.530 4.666 40 0 HJABRO CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1 ZINC000019696157 569346708 /nfs/dbraw/zinc/34/67/08/569346708.db2.gz NLXZTAUXUNOJPB-SFHVURJKSA-N 1 0 424.932 4.590 40 0 HJABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3snnc3C)cc2)C1 ZINC000019711767 569348181 /nfs/dbraw/zinc/34/81/81/569348181.db2.gz VNXJEVBPVGYTAB-AQNXPRMDSA-N 1 0 416.591 4.685 40 0 HJABRO Cc1nc([C@]2(O)CCC[N@H+](CC3CC3)CC2)sc1CCOc1ccccc1Cl ZINC000019738680 569348537 /nfs/dbraw/zinc/34/85/37/569348537.db2.gz AXHNANPYVGKBRU-QFIPXVFZSA-N 1 0 421.006 4.810 40 0 HJABRO O=C(Nc1ccccc1Cl)c1ccc(C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000020241743 569349615 /nfs/dbraw/zinc/34/96/15/569349615.db2.gz FDSVFEPETZBSGK-UHFFFAOYSA-N 1 0 405.929 4.915 40 0 HJABRO Fc1ccc(-c2cnc(Nc3cccc(C[C@H]4COC5(C4)CC[NH2+]CC5)n3)s2)cc1 ZINC000205617318 569387269 /nfs/dbraw/zinc/38/72/69/569387269.db2.gz IQTVESPECPPXJJ-MRXNPFEDSA-N 1 0 424.545 4.789 40 0 HJABRO COc1ccccc1/C=C/C[N@@H+]1[C@H](Cc2ccccc2F)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019712826 569429046 /nfs/dbraw/zinc/42/90/46/569429046.db2.gz JRNYNSQMBJARRJ-WMZVREIMSA-N 1 0 422.544 4.592 40 0 HJABRO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3cccs3)C2)cc1 ZINC000020503435 575369773 /nfs/dbraw/zinc/36/97/73/575369773.db2.gz NYKIGZUPGQPYJK-FUHWJXTLSA-N 1 0 408.592 4.918 40 0 biogenic,in-vitro HJABRO Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](Cc1ccc(OC(F)(F)F)cc1)C2 ZINC000225489367 291279547 /nfs/dbraw/zinc/27/95/47/291279547.db2.gz XTQODWFWHIBELR-KRWDZBQOSA-N 1 0 406.404 4.625 40 0 biogenic,in-vitro HJABRO FC(F)(F)c1ccc(C[NH2+]C[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)cc1 ZINC000096269357 291280032 /nfs/dbraw/zinc/28/00/32/291280032.db2.gz RFVRMFHIXVOSNZ-SFHVURJKSA-N 1 0 421.850 4.911 40 0 biogenic,in-vitro HJABRO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc2O1 ZINC000044918373 520548288 /nfs/dbraw/zinc/54/82/88/520548288.db2.gz XEXFPYVLQIYAQY-NRFANRHFSA-N 1 0 412.961 4.971 40 0 HJABRO CCOc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000044851431 520945260 /nfs/dbraw/zinc/94/52/60/520945260.db2.gz HKKWIEJSDJFBSP-UHFFFAOYSA-N 1 0 414.977 4.700 40 0 HJABRO CCOC(=O)c1ccc(C)c(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911801 521472535 /nfs/dbraw/zinc/47/25/35/521472535.db2.gz UMVDBACGEVAGNW-IBGZPJMESA-N 1 0 414.933 4.676 40 0 HJABRO C[NH2+][C@H](c1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc(Br)cc1 ZINC000072414101 522488471 /nfs/dbraw/zinc/48/84/71/522488471.db2.gz DCCIVDCUBFIOIS-INIZCTEOSA-N 1 0 421.136 4.911 40 0 HJABRO O=C(CCCOc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044874724 526447297 /nfs/dbraw/zinc/44/72/97/526447297.db2.gz VBUIEBOVVHETTG-UHFFFAOYSA-N 1 0 400.950 4.801 40 0 HJABRO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000408571741 557469061 /nfs/dbraw/zinc/46/90/61/557469061.db2.gz DWVIOSQKIBCKSD-FYWRMAATSA-N 1 0 401.510 4.740 40 0 HJABRO Cc1nn(-c2ccccn2)c2nc([C@H]3CCC[N@H+]3Cc3cn(C)c4ccccc34)ccc12 ZINC000019742442 558262722 /nfs/dbraw/zinc/26/27/22/558262722.db2.gz VIOUIUHXGRQTQE-XMMPIXPASA-N 1 0 422.536 4.953 40 0 HJABRO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@@H+]2C2CCCCC2)nc1C ZINC000019753468 558272725 /nfs/dbraw/zinc/27/27/25/558272725.db2.gz RUXJSZOEGIITNI-NRFANRHFSA-N 1 0 408.546 4.906 40 0 HJABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020042550 558326282 /nfs/dbraw/zinc/32/62/82/558326282.db2.gz PYOKJJNUOGAENT-RTBURBONSA-N 1 0 407.558 4.699 40 0 HJABRO Cc1cc(-c2cnc(NC[C@@H](c3ccc(F)cc3)[NH+](C)C)nc2-c2ccoc2C)on1 ZINC000012251513 558362115 /nfs/dbraw/zinc/36/21/15/558362115.db2.gz RFGBBGPSBGVLRP-FQEVSTJZSA-N 1 0 421.476 4.862 40 0 HJABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293601 558366788 /nfs/dbraw/zinc/36/67/88/558366788.db2.gz IVUFUDXYAVTLJF-LOSJGSFVSA-N 1 0 417.549 4.841 40 0 HJABRO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000039760843 558685371 /nfs/dbraw/zinc/68/53/71/558685371.db2.gz AMZRWLCGENBDMR-UHFFFAOYSA-N 1 0 402.991 4.769 40 0 HJABRO COc1cc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)c(OC)cc1Cl ZINC000039767842 558686099 /nfs/dbraw/zinc/68/60/99/558686099.db2.gz RLMHVRMOGWLWMW-UHFFFAOYSA-N 1 0 402.922 4.516 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSc3ccc(Cl)cc3)CC2)cc1 ZINC000039767681 558686154 /nfs/dbraw/zinc/68/61/54/558686154.db2.gz KMMBPKNOIRPGSM-UHFFFAOYSA-N 1 0 402.991 4.769 40 0 HJABRO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039772476 558686284 /nfs/dbraw/zinc/68/62/84/558686284.db2.gz XBNSPKLPCCXPJY-UHFFFAOYSA-N 1 0 405.369 4.954 40 0 HJABRO COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000030939000 558745189 /nfs/dbraw/zinc/74/51/89/558745189.db2.gz RPNOUINJHCWNDK-MRXNPFEDSA-N 1 0 421.324 4.631 40 0 HJABRO COc1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(OC)cc1Cl ZINC000030942768 558745965 /nfs/dbraw/zinc/74/59/65/558745965.db2.gz FTCSHUHMYMGXQE-OAHLLOKOSA-N 1 0 402.922 4.841 40 0 HJABRO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CCCCc2ccc(Cl)cc2Cl)c1 ZINC000017039547 558812364 /nfs/dbraw/zinc/81/23/64/558812364.db2.gz DIFWGKOQCVSWQH-UHFFFAOYSA-N 1 0 418.372 4.744 40 0 HJABRO Cc1ccc(CN(Cc2ccnn2[C@H]2CCCCO2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000019216532 558850393 /nfs/dbraw/zinc/85/03/93/558850393.db2.gz UPYOZRZVXYFZPF-JOCHJYFZSA-N 1 0 414.594 4.795 40 0 HJABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019219230 558851363 /nfs/dbraw/zinc/85/13/63/558851363.db2.gz BNUYXGDPPAFICD-XZOQPEGZSA-N 1 0 409.570 4.677 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019236809 558855861 /nfs/dbraw/zinc/85/58/61/558855861.db2.gz XOXJGZHJMGRMII-FBLLAGFSSA-N 1 0 403.570 4.929 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000019370402 558878543 /nfs/dbraw/zinc/87/85/43/558878543.db2.gz HSEFSCRIWSTCTL-SANMLTNESA-N 1 0 405.586 4.774 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019370416 558878675 /nfs/dbraw/zinc/87/86/75/558878675.db2.gz CCRMUKBLCNZFCN-AREMUKBSSA-N 1 0 417.528 4.533 40 0 HJABRO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019370916 558879021 /nfs/dbraw/zinc/87/90/21/558879021.db2.gz TWANSWJNDYJRDR-RCZVLFRGSA-N 1 0 419.594 4.845 40 0 HJABRO O=C(c1cc(-c2ccncc2)nc2ccccc21)N1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC000019376046 558882070 /nfs/dbraw/zinc/88/20/70/558882070.db2.gz UQHDTZZQEAFGMH-OAQYLSRUSA-N 1 0 414.553 4.777 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000019400652 558883327 /nfs/dbraw/zinc/88/33/27/558883327.db2.gz LUQCUPUKHROZKV-XMSQKQJNSA-N 1 0 409.530 4.666 40 0 HJABRO COc1cc2c(cc1OCC1([NH3+])CC1)nccc2Oc1ccc2[nH]c(C)cc2c1F ZINC000117924202 558884714 /nfs/dbraw/zinc/88/47/14/558884714.db2.gz KSMZEXLVHXZPEF-UHFFFAOYSA-N 1 0 407.445 4.835 40 0 investigational HJABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449582 558888051 /nfs/dbraw/zinc/88/80/51/558888051.db2.gz KYSQRYIBQSQXQT-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccs2)C1 ZINC000019449621 558888295 /nfs/dbraw/zinc/88/82/95/558888295.db2.gz JCJHGZRDGGXCMW-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO CNC(=O)[C@]1(Cc2ccc(-c3cccnc3)cc2)CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456045 558891870 /nfs/dbraw/zinc/89/18/70/558891870.db2.gz KVVHGIDFPXOQHE-ZBLYBZFDSA-N 1 0 413.565 4.533 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330445 558934770 /nfs/dbraw/zinc/93/47/70/558934770.db2.gz ABLIGMZVMXTMTD-GJZUVCINSA-N 1 0 421.585 4.740 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccc(F)c1 ZINC000072330500 558934866 /nfs/dbraw/zinc/93/48/66/558934866.db2.gz VFWHJSAJTQKKPG-RDPSFJRHSA-N 1 0 421.491 4.743 40 0 HJABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072345949 558942392 /nfs/dbraw/zinc/94/23/92/558942392.db2.gz VDTBMZDTUOATQE-KRWDZBQOSA-N 1 0 413.447 4.519 40 0 HJABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361003 558955773 /nfs/dbraw/zinc/95/57/73/558955773.db2.gz PQMCVRIKGQOQAS-KRWDZBQOSA-N 1 0 416.550 4.536 40 0 HJABRO FC(F)(F)c1cccc(-c2noc([C@@H]3CC[N@H+](CCOc4ccccc4)C3)n2)c1 ZINC000072369970 558956096 /nfs/dbraw/zinc/95/60/96/558956096.db2.gz HHLPWIZSOFLNCR-MRXNPFEDSA-N 1 0 403.404 4.624 40 0 HJABRO Fc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccnc5ccccc45)C3)[nH]n2)cc1 ZINC000072371552 558958428 /nfs/dbraw/zinc/95/84/28/558958428.db2.gz IOZBWZLCSISFHB-LJQANCHMSA-N 1 0 416.500 4.708 40 0 HJABRO Cc1cc(-c2cn[nH]c2)cc([C@H]2CCC[N@H+]2Cc2cc3ccccc3nc2N(C)C)n1 ZINC000019691044 558960628 /nfs/dbraw/zinc/96/06/28/558960628.db2.gz JIHSXKOFYQHSRX-XMMPIXPASA-N 1 0 412.541 4.731 40 0 HJABRO CCn1cc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c(C)n1 ZINC000019694346 558962665 /nfs/dbraw/zinc/96/26/65/558962665.db2.gz LLAUMXMLTMZYAY-QFIPXVFZSA-N 1 0 422.552 4.601 40 0 HJABRO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377989 558967196 /nfs/dbraw/zinc/96/71/96/558967196.db2.gz CALLHRKSGJFUSK-NRFANRHFSA-N 1 0 410.525 4.851 40 0 HJABRO Cc1ccc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4cn(C(C)C)c5cc(F)ccc45)C[C@@H]32)nc1 ZINC000072395427 558974324 /nfs/dbraw/zinc/97/43/24/558974324.db2.gz DZMRAUUXLDFVIJ-WSUBETFTSA-N 1 0 407.533 4.794 40 0 HJABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000072398593 558975972 /nfs/dbraw/zinc/97/59/72/558975972.db2.gz DNRLMGSKDNJJNY-QPPBQGQZSA-N 1 0 423.601 4.984 40 0 HJABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398589 558975983 /nfs/dbraw/zinc/97/59/83/558975983.db2.gz MFADXOOQCKMLBA-MYBSHTFJSA-N 1 0 421.585 4.719 40 0 HJABRO O=C(c1cscn1)N1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096203119 559101203 /nfs/dbraw/zinc/10/12/03/559101203.db2.gz IYUCZSCHAIZYFF-XMMPIXPASA-N 1 0 403.551 4.548 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1 ZINC000096315924 559109648 /nfs/dbraw/zinc/10/96/48/559109648.db2.gz OKDWTPCTOVUPTH-QHCPKHFHSA-N 1 0 417.557 4.731 40 0 HJABRO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000096625861 559111735 /nfs/dbraw/zinc/11/17/35/559111735.db2.gz YIVYXLGJDQTZCB-UHFFFAOYSA-N 1 0 410.867 4.887 40 0 HJABRO Cc1cnc(Nc2cccc(CC3CC[NH+](Cc4cnc(C(C)C)nc4)CC3)n2)s1 ZINC000585263492 559111846 /nfs/dbraw/zinc/11/18/46/559111846.db2.gz NCVIUJLXGBXCEQ-UHFFFAOYSA-N 1 0 422.602 4.958 40 0 HJABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/c4ccco4)C3)c2)n1 ZINC000585292011 559124486 /nfs/dbraw/zinc/12/44/86/559124486.db2.gz IDFLLJCMDFZBRI-SGQUHAKNSA-N 1 0 417.513 4.553 40 0 HJABRO CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936097 559173761 /nfs/dbraw/zinc/17/37/61/559173761.db2.gz YEPDFOQGCJUBHX-SIKLNZKXSA-N 1 0 400.950 4.828 40 0 HJABRO CC[NH+](CC)CCNc1cc(-c2ccccc2)nc2cc(-c3ccc(OC)cc3)nn21 ZINC000001341317 560575666 /nfs/dbraw/zinc/57/56/66/560575666.db2.gz DUWCVIBEUGJCJU-UHFFFAOYSA-N 1 0 415.541 4.826 40 0 HJABRO C[C@@]1([NH+]2CCCCC2)[C@@H](c2ccccc2)Oc2ccc(Br)cc2[C@@H]1O ZINC000005534943 560737887 /nfs/dbraw/zinc/73/78/87/560737887.db2.gz PDCAUFHRAKNQNX-HBMCJLEFSA-N 1 0 402.332 4.861 40 0 HJABRO Cc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000006546791 560744006 /nfs/dbraw/zinc/74/40/06/560744006.db2.gz LTYQPTOEOSJYNM-UHFFFAOYSA-N 1 0 401.963 4.761 40 0 HJABRO C[C@]1([NH+]2CCCCC2)[C@H](O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 ZINC000016577330 560861065 /nfs/dbraw/zinc/86/10/65/560861065.db2.gz PDCAUFHRAKNQNX-NJYVYQBISA-N 1 0 402.332 4.861 40 0 HJABRO C[C@]1([NH+]2CCCCC2)[C@H](O)c2cc(Br)ccc2O[C@H]1c1ccccc1 ZINC000222070005 568456805 /nfs/dbraw/zinc/45/68/05/568456805.db2.gz PDCAUFHRAKNQNX-HKBOAZHASA-N 1 0 402.332 4.861 40 0 HJABRO Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)n2)cc1 ZINC000219236433 568488271 /nfs/dbraw/zinc/48/82/71/568488271.db2.gz PRZXSYRXDQCBLA-UHFFFAOYSA-N 1 0 418.541 4.549 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCOc2cccc3ccccc32)CC1 ZINC000223554671 568551635 /nfs/dbraw/zinc/55/16/35/568551635.db2.gz KHKRDYDPXXFCPO-UHFFFAOYSA-N 1 0 402.538 4.555 40 0 HJABRO Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224194886 568573227 /nfs/dbraw/zinc/57/32/27/568573227.db2.gz MYPNZDDRULSPKZ-DHIUTWEWSA-N 1 0 411.534 4.753 40 0 HJABRO O=C(CSCc1ccc(Cl)cc1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224806764 568597796 /nfs/dbraw/zinc/59/77/96/568597796.db2.gz QHYGLYXVELTXOR-UHFFFAOYSA-N 1 0 402.991 4.876 40 0 HJABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224832142 568599056 /nfs/dbraw/zinc/59/90/56/568599056.db2.gz YGAOENBGKKUDBP-FQEVSTJZSA-N 1 0 402.538 4.909 40 0 HJABRO CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCC[NH+]3CCCC3)c2)cc1 ZINC000225434379 568637694 /nfs/dbraw/zinc/63/76/94/568637694.db2.gz JHMHBMHBNWCTDM-UHFFFAOYSA-N 1 0 423.626 4.987 40 0 HJABRO O=C(Nc1ccc(OCC[NH+]2CCCCCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000225561483 568651468 /nfs/dbraw/zinc/65/14/68/568651468.db2.gz DYDOJJFZEQQFKB-UHFFFAOYSA-N 1 0 422.569 4.628 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225636696 568658936 /nfs/dbraw/zinc/65/89/36/568658936.db2.gz KNHXFUCDABLGTH-YOSAUDMPSA-N 1 0 402.579 4.721 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225720332 568667654 /nfs/dbraw/zinc/66/76/54/568667654.db2.gz IMEAFNFHNJZXJU-VIHQBZHPSA-N 1 0 402.579 4.864 40 0 HJABRO Cc1c2ccccc2oc1-c1nnc2sc(C[N@@H+]3CC[C@@H](c4ccccc4)C3)nn21 ZINC000096194458 568704071 /nfs/dbraw/zinc/70/40/71/568704071.db2.gz UIRGZUZRRXSKBW-QGZVFWFLSA-N 1 0 415.522 4.897 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814773 568740134 /nfs/dbraw/zinc/74/01/34/568740134.db2.gz NIUCCHZYCQURBK-UECWXEIQSA-N 1 0 402.579 4.577 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCCC1 ZINC000260814575 568740167 /nfs/dbraw/zinc/74/01/67/568740167.db2.gz KSEANVLOFORWCB-FQEVSTJZSA-N 1 0 402.579 4.865 40 0 HJABRO Cc1csc(Nc2cncc(C3CC[NH+](Cc4ccc5ncccc5c4)CC3)n2)n1 ZINC000257202958 568776975 /nfs/dbraw/zinc/77/69/75/568776975.db2.gz ANZVTSPOUVFCNB-UHFFFAOYSA-N 1 0 416.554 4.913 40 0 HJABRO Cc1nc(Nc2cc(C)nc([C@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)c2)sc1C ZINC000257303616 568805481 /nfs/dbraw/zinc/80/54/81/568805481.db2.gz SHYFAIWMPJRYPW-SFHVURJKSA-N 1 0 410.591 4.628 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)c1C ZINC000257315499 568809023 /nfs/dbraw/zinc/80/90/23/568809023.db2.gz VBRNYFMXNYRRPX-SFHVURJKSA-N 1 0 410.591 4.803 40 0 HJABRO COc1c(C)cccc1C(=O)N1CC[C@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257334335 568814371 /nfs/dbraw/zinc/81/43/71/568814371.db2.gz YFLRYUQJWSYLPT-INIZCTEOSA-N 1 0 408.527 4.537 40 0 HJABRO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)COc4ccccc4)C3)c2)n1 ZINC000257342356 568816847 /nfs/dbraw/zinc/81/68/47/568816847.db2.gz ZOGOOPKBLRYKPU-SFHVURJKSA-N 1 0 422.554 4.684 40 0 HJABRO O=C1C2=C(C(c3ccc(Cl)cc3)=[NH+]CCN2)[C@@H](c2ccccc2)N1c1ccccc1 ZINC000100085160 568935311 /nfs/dbraw/zinc/93/53/11/568935311.db2.gz NUKBFNTXXDFNTC-XMMPIXPASA-N 1 0 413.908 4.775 40 0 HJABRO O=C1C2=C(C(c3ccc(Cl)cc3)=[NH+]CCN2)[C@H](c2ccccc2)N1c1ccccc1 ZINC000100085164 568935448 /nfs/dbraw/zinc/93/54/48/568935448.db2.gz NUKBFNTXXDFNTC-DEOSSOPVSA-N 1 0 413.908 4.775 40 0 HJABRO Ic1cccc(-c2nc3cc(C[NH+]4CCCC4)ccc3o2)c1 ZINC000216839213 569025586 /nfs/dbraw/zinc/02/55/86/569025586.db2.gz IIMYUDCYPFABDJ-UHFFFAOYSA-N 1 0 404.251 4.695 40 0 HJABRO O=C(Cc1ccc(F)cc1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000222015205 569052638 /nfs/dbraw/zinc/05/26/38/569052638.db2.gz JCJRDRMQBOUQLG-VWNXMTODSA-N 1 0 406.545 4.662 40 0 HJABRO C[C@@]1(O)CC[N@H+](CC2CCCCC2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514290031 569070062 /nfs/dbraw/zinc/07/00/62/569070062.db2.gz VDZWNNVOYSULBK-KYPHJKQUSA-N 1 0 424.560 4.702 40 0 biogenic,in-vitro HJABRO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@@H]3C[N@@H+]2C1 ZINC000252461637 569286777 /nfs/dbraw/zinc/28/67/77/569286777.db2.gz NEMWYOKGHGSVSC-INZDFQLNSA-N 1 0 415.662 4.563 40 0 biogenic HJABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccc(F)c1 ZINC000247514995 569315490 /nfs/dbraw/zinc/31/54/90/569315490.db2.gz VFWHJSAJTQKKPG-GBXCKJPGSA-N 1 0 421.491 4.743 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cccs1 ZINC000019348965 569345439 /nfs/dbraw/zinc/34/54/39/569345439.db2.gz FICZDQUATVLFHZ-XMSQKQJNSA-N 1 0 409.530 4.666 40 0 HJABRO COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000019567295 569345650 /nfs/dbraw/zinc/34/56/50/569345650.db2.gz WWQFYTGAMRRHEE-GBXCKJPGSA-N 1 0 423.601 4.823 40 0 HJABRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c(C)c1 ZINC000020241792 569349582 /nfs/dbraw/zinc/34/95/82/569349582.db2.gz MWRBIZIRLGZGDA-UHFFFAOYSA-N 1 0 413.565 4.874 40 0 HJABRO CC(C)(C)NC(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(-c2ccc(C(C)(C)C)cc2)on1 ZINC000015673715 291273130 /nfs/dbraw/zinc/27/31/30/291273130.db2.gz AAQFRQHWHORTGK-OALUTQOASA-N 1 0 411.590 4.712 40 0 biogenic,in-vitro HJABRO CC1=C[C@@H](C[NH2+]Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 ZINC000035442654 291274435 /nfs/dbraw/zinc/27/44/35/291274435.db2.gz KWLOTQBVXUGRAV-VABKMULXSA-N 1 0 417.557 4.714 40 0 biogenic,in-vitro HJABRO CN(C)c1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000049170243 291275617 /nfs/dbraw/zinc/27/56/17/291275617.db2.gz NJXIGGNGLLAAJS-KRWDZBQOSA-N 1 0 416.447 4.811 40 0 biogenic,in-vitro HJABRO COc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000049170058 291277792 /nfs/dbraw/zinc/27/77/92/291277792.db2.gz ANRILASXSDDZHB-HNNXBMFYSA-N 1 0 403.404 4.754 40 0 biogenic,in-vitro HJABRO Cn1nc(C2CCCC2)cc1[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 ZINC000008635316 291280029 /nfs/dbraw/zinc/28/00/29/291280029.db2.gz HQSJCOKBISYHAW-TYPHKJRUSA-N 1 0 408.546 4.504 40 0 biogenic,in-vitro HJABRO O=c1c(-c2cccs2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2cc3ccccc3o2)C1 ZINC000004237299 291280702 /nfs/dbraw/zinc/28/07/02/291280702.db2.gz RJJCJMULLZOBCS-FUHWJXTLSA-N 1 0 402.519 4.942 40 0 biogenic,in-vitro HJABRO CCOC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)ccc1Cl ZINC000044939637 521438907 /nfs/dbraw/zinc/43/89/07/521438907.db2.gz HOJQJHFTLIXOPK-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1C ZINC000044911673 521536270 /nfs/dbraw/zinc/53/62/70/521536270.db2.gz NYVYKLSOKLTVLZ-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1C ZINC000044911667 521537374 /nfs/dbraw/zinc/53/73/74/521537374.db2.gz QJAWJSMZXKESKT-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[NH+]3CCCCC3)cc1)CC(C)(C)O2 ZINC000044855561 525573632 /nfs/dbraw/zinc/57/36/32/525573632.db2.gz ZLGIFVZIBLAZGS-QFIPXVFZSA-N 1 0 408.542 4.713 40 0 HJABRO COc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccccc3C)CC1)CC(C)(C)O2 ZINC000044855517 525584890 /nfs/dbraw/zinc/58/48/90/525584890.db2.gz GXMGFBPQCLLQNL-HSZRJFAPSA-N 1 0 422.569 4.634 40 0 HJABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 ZINC000019742432 558262637 /nfs/dbraw/zinc/26/26/37/558262637.db2.gz IATGRNUNWXIHRF-JOCHJYFZSA-N 1 0 413.525 4.778 40 0 HJABRO Cc1nc([C@H]2CCC[N@@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755514 558274003 /nfs/dbraw/zinc/27/40/03/558274003.db2.gz WFFLOHGXVQWMJY-JOCHJYFZSA-N 1 0 404.489 4.556 40 0 HJABRO Cn1cccc1C[NH+]1CCC2(C[C@@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000012086196 558321642 /nfs/dbraw/zinc/32/16/42/558321642.db2.gz KKLXARNVRJOJDV-DEOSSOPVSA-N 1 0 422.960 4.545 40 0 HJABRO CCOc1cc(CN(Cc2cccnc2)C2CC(C)(C)[NH2+]C(C)(C)C2)ccc1OC ZINC000012118210 558329625 /nfs/dbraw/zinc/32/96/25/558329625.db2.gz HGDLJNFGGJZOMP-UHFFFAOYSA-N 1 0 411.590 4.800 40 0 HJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)CC1 ZINC000020107580 558334086 /nfs/dbraw/zinc/33/40/86/558334086.db2.gz MQPHZFVFSOOELU-UHFFFAOYSA-N 1 0 419.569 4.797 40 0 HJABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293622 558366805 /nfs/dbraw/zinc/36/68/05/558366805.db2.gz PDVZPDYYEXQMRW-ZEQRLZLVSA-N 1 0 403.522 4.532 40 0 HJABRO CC(C)(C)c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293564 558366809 /nfs/dbraw/zinc/36/68/09/558366809.db2.gz JDWBHSUFEBWAMY-YADHBBJMSA-N 1 0 413.533 4.507 40 0 HJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)C1 ZINC000020458229 558371241 /nfs/dbraw/zinc/37/12/41/558371241.db2.gz LVEBHYOLPDYJDP-GOSISDBHSA-N 1 0 407.558 4.699 40 0 HJABRO Cc1cc2c(cc1Cl)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329834 558384809 /nfs/dbraw/zinc/38/48/09/558384809.db2.gz LDSKHFAHKGVVLZ-WOJBJXKFSA-N 1 0 422.352 4.686 40 0 HJABRO O=c1[nH]c2c(cc1C[NH2+]C1CCCCC1)c(-c1cccc(F)c1)nn2-c1ccccc1 ZINC000026440850 558660943 /nfs/dbraw/zinc/66/09/43/558660943.db2.gz DTWOBQJMCKYDJP-UHFFFAOYSA-N 1 0 416.500 4.942 40 0 HJABRO O=C(NCCSCc1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039772905 558686233 /nfs/dbraw/zinc/68/62/33/558686233.db2.gz YXWITJUJWDCNIA-UHFFFAOYSA-N 1 0 402.991 4.602 40 0 HJABRO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000039753493 558687399 /nfs/dbraw/zinc/68/73/99/558687399.db2.gz LRSOPVNOSSPRIE-IBGZPJMESA-N 1 0 410.558 4.573 40 0 HJABRO COC(=O)c1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1Cl ZINC000030938937 558745143 /nfs/dbraw/zinc/74/51/43/558745143.db2.gz PTFUYECESIJHAI-OAHLLOKOSA-N 1 0 400.906 4.611 40 0 HJABRO COC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1Cl ZINC000030938934 558745156 /nfs/dbraw/zinc/74/51/56/558745156.db2.gz CMZWWEGXQHZBSK-UHFFFAOYSA-N 1 0 400.906 4.611 40 0 HJABRO O=c1c(C[N@H+](CCCn2ccnc2)C[C@H]2CC=CCC2)coc2ccc(Cl)cc12 ZINC000036740216 558801550 /nfs/dbraw/zinc/80/15/50/558801550.db2.gz VGHVKCYAPNNSQC-SFHVURJKSA-N 1 0 411.933 4.892 40 0 HJABRO CC1(C)CC(N(Cc2cccnc2)Cc2cc3c(cc2Cl)OCO3)CC(C)(C)[NH2+]1 ZINC000036740540 558801906 /nfs/dbraw/zinc/80/19/06/558801906.db2.gz WLMUTGXIEVVXCX-UHFFFAOYSA-N 1 0 415.965 4.775 40 0 HJABRO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833988 558817360 /nfs/dbraw/zinc/81/73/60/558817360.db2.gz HAEUJBQDCAAIPQ-HNNXBMFYSA-N 1 0 407.739 4.953 40 0 HJABRO O=C(NCCSCc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038837429 558818136 /nfs/dbraw/zinc/81/81/36/558818136.db2.gz RLKUDEIDOWBVKO-SFHVURJKSA-N 1 0 420.981 4.741 40 0 HJABRO O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039752439 558822578 /nfs/dbraw/zinc/82/25/78/558822578.db2.gz WJGQQRYBSXDMKU-UHFFFAOYSA-N 1 0 402.513 4.944 40 0 HJABRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC[C@H](C)C[NH2+]1 ZINC000042888652 558831063 /nfs/dbraw/zinc/83/10/63/558831063.db2.gz IRRHFODGOMSPEE-FIRKVUNCSA-N 1 0 415.662 4.921 40 0 HJABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000019081948 558839979 /nfs/dbraw/zinc/83/99/79/558839979.db2.gz GOQUGZPRCNEZDO-GBXCKJPGSA-N 1 0 416.569 4.745 40 0 HJABRO Cc1cccc([C@@H]2C[N@H+](Cc3ccc(Cl)c(Cl)c3)C[C@]23CCCCC(=O)N3)n1 ZINC000019236380 558855559 /nfs/dbraw/zinc/85/55/59/558855559.db2.gz QXHRLJNHXCUZKF-HTAPYJJXSA-N 1 0 418.368 4.725 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019236820 558855876 /nfs/dbraw/zinc/85/58/76/558855876.db2.gz CYNZVDQDPCZVBW-OFVILXPXSA-N 1 0 417.528 4.912 40 0 HJABRO Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000019239793 558858467 /nfs/dbraw/zinc/85/84/67/558858467.db2.gz HLFDRQZIEQRYPN-JOCHJYFZSA-N 1 0 405.521 4.779 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019370423 558878509 /nfs/dbraw/zinc/87/85/09/558878509.db2.gz IXGJQJIHJSCVIY-SANMLTNESA-N 1 0 417.528 4.533 40 0 HJABRO CC(C)[C@@H]([NH2+]Cc1ccc(Cl)c(Cl)c1)c1cc(=O)[nH]c(-c2cccnc2)n1 ZINC000019445667 558885694 /nfs/dbraw/zinc/88/56/94/558885694.db2.gz GBYMQTPYFNAXPJ-LJQANCHMSA-N 1 0 403.313 4.626 40 0 HJABRO CC(C)Nc1ncc(-c2cccnc2)c(C2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000019450327 558888808 /nfs/dbraw/zinc/88/88/08/558888808.db2.gz MDECPGCCCQVRGH-UHFFFAOYSA-N 1 0 405.521 4.878 40 0 HJABRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NCc4ccncc4)on3)C2)cc1 ZINC000019453222 558890799 /nfs/dbraw/zinc/89/07/99/558890799.db2.gz SBBCKIXVVKGWTP-JOCHJYFZSA-N 1 0 418.541 4.503 40 0 HJABRO CCOCc1cc(C[NH+]2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)ccc1OC ZINC000019531115 558911689 /nfs/dbraw/zinc/91/16/89/558911689.db2.gz KAQYOCVNGUWUSE-UHFFFAOYSA-N 1 0 423.475 4.734 40 0 HJABRO Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(c2cc(=O)[nH]c(-c3ccncc3)n2)CC1 ZINC000019565488 558925478 /nfs/dbraw/zinc/92/54/78/558925478.db2.gz RCQCPWSOHXTMFV-UHFFFAOYSA-N 1 0 417.488 4.553 40 0 HJABRO Cc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000019568870 558927895 /nfs/dbraw/zinc/92/78/95/558927895.db2.gz PXKLTANHUDJYHZ-CYBMUJFWSA-N 1 0 421.467 4.950 40 0 HJABRO COc1ccccc1C[NH+]1CCC([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019570096 558928889 /nfs/dbraw/zinc/92/88/89/558928889.db2.gz DKGNZXGTOMIJHE-AREMUKBSSA-N 1 0 421.585 4.740 40 0 HJABRO COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCCC1 ZINC000019570551 558929283 /nfs/dbraw/zinc/92/92/83/558929283.db2.gz ZMSYTYZZGNSINU-VABKMULXSA-N 1 0 424.610 4.763 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000072330498 558934799 /nfs/dbraw/zinc/93/47/99/558934799.db2.gz POCFLAXVMYQDQM-YKSBVNFPSA-N 1 0 421.491 4.743 40 0 HJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072330439 558934832 /nfs/dbraw/zinc/93/48/32/558934832.db2.gz AHYXWHRDNZKYSF-OFVILXPXSA-N 1 0 409.549 4.871 40 0 HJABRO Cc1nc([C@@H]2CCCC[N@@H+]2CCCc2ccccc2)ncc1C(=O)N1CCCCC1 ZINC000072345529 558942014 /nfs/dbraw/zinc/94/20/14/558942014.db2.gz REKURFZSWBLZCI-QHCPKHFHSA-N 1 0 406.574 4.571 40 0 HJABRO Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CCC([C@@]2(C)CCCCN(C)C2=O)CC1 ZINC000072372000 558959322 /nfs/dbraw/zinc/95/93/22/558959322.db2.gz PSJYNJCFGSXIHL-AREMUKBSSA-N 1 0 422.617 4.658 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c1C ZINC000072372457 558959855 /nfs/dbraw/zinc/95/98/55/558959855.db2.gz PYVUFQDQGZLVTM-VWLOTQADSA-N 1 0 404.558 4.851 40 0 HJABRO Cn1cc(C[NH+]2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)cn1 ZINC000019690543 558960108 /nfs/dbraw/zinc/96/01/08/558960108.db2.gz LILFPNNBSZWOKA-UHFFFAOYSA-N 1 0 414.475 4.804 40 0 HJABRO COc1cc2c(cc1CN1CCC[C@@H]1c1cc(Nc3cnccn3)cc(C)[nH+]1)CCC2 ZINC000072372635 558960302 /nfs/dbraw/zinc/96/03/02/558960302.db2.gz FWHNUIHPXDVLFJ-HSZRJFAPSA-N 1 0 415.541 4.758 40 0 HJABRO CCc1nnc(Nc2cccc([C@@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)n2)s1 ZINC000072375967 558965082 /nfs/dbraw/zinc/96/50/82/558965082.db2.gz ZVJCXTZJPVXVES-QGZVFWFLSA-N 1 0 409.559 4.627 40 0 HJABRO CCc1nnc(Nc2cccc(C3CC[NH+](Cc4cccc(OC)c4)CC3)n2)s1 ZINC000072376141 558965400 /nfs/dbraw/zinc/96/54/00/558965400.db2.gz OPEBDBZKIZWUNS-UHFFFAOYSA-N 1 0 409.559 4.627 40 0 HJABRO Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)on1 ZINC000072395111 558974055 /nfs/dbraw/zinc/97/40/55/558974055.db2.gz XVKTWDSBMHXESG-NZQKXSOJSA-N 1 0 420.509 4.792 40 0 HJABRO CC(C)(C)C[NH2+]C[C@H]1CC[C@H](c2cc(C(=O)N3CCOCC3)c3ccccc3n2)CC1 ZINC000257299498 559009647 /nfs/dbraw/zinc/00/96/47/559009647.db2.gz RQIIRQBBYLMPDB-MXVIHJGJSA-N 1 0 423.601 4.617 40 0 HJABRO COc1ccc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cc1 ZINC000096038323 559091913 /nfs/dbraw/zinc/09/19/13/559091913.db2.gz IVQABCFYWHWFFT-UHFFFAOYSA-N 1 0 413.525 4.861 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21)NCC1CC1 ZINC000096052674 559092262 /nfs/dbraw/zinc/09/22/62/559092262.db2.gz ZIGRJVKLWVLJRB-NRFANRHFSA-N 1 0 406.545 4.763 40 0 HJABRO COc1ccc(C[NH+]2CCC3(C[C@H](CC(=O)NCC4CC4)c4ccccc43)CC2)cc1 ZINC000096052675 559092267 /nfs/dbraw/zinc/09/22/67/559092267.db2.gz SLZZWDNVAGFQER-QFIPXVFZSA-N 1 0 418.581 4.633 40 0 HJABRO COc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC(C)C)c4ccccc43)CC2)cc1 ZINC000096052627 559092288 /nfs/dbraw/zinc/09/22/88/559092288.db2.gz VUVMBBSDCHUKNJ-OAQYLSRUSA-N 1 0 406.570 4.631 40 0 HJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053465 559093398 /nfs/dbraw/zinc/09/33/98/559093398.db2.gz SDYTWPCIBBZWED-FQEVSTJZSA-N 1 0 412.599 4.908 40 0 HJABRO Cc1ccc(C[NH+]2CCC(c3cc4c(ncn4C)c(-c4cccnc4)n3)CC2)s1 ZINC000096099947 559095227 /nfs/dbraw/zinc/09/52/27/559095227.db2.gz IHOONXFVANVGII-UHFFFAOYSA-N 1 0 403.555 4.780 40 0 HJABRO COc1ccc(-c2nc(C3CC[NH+](Cc4ccoc4)CC3)cc3c2ncn3C)cc1 ZINC000096099978 559095270 /nfs/dbraw/zinc/09/52/70/559095270.db2.gz BQABYGQHZNYSLW-UHFFFAOYSA-N 1 0 402.498 4.617 40 0 HJABRO Cc1cnc(C[N@@H+]2CCC[C@@H](c3cccc(-c4cnc5ccc(Cl)cn54)n3)C2)cn1 ZINC000585262838 559111500 /nfs/dbraw/zinc/11/15/00/559111500.db2.gz KXGJIAUYXVLTCY-QGZVFWFLSA-N 1 0 418.932 4.528 40 0 HJABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](Cc2ccccc2C)CC1 ZINC000257247285 559284463 /nfs/dbraw/zinc/28/44/63/559284463.db2.gz IYHKGFSEGNOSTJ-UHFFFAOYSA-N 1 0 413.565 4.628 40 0 HJABRO CC[NH+](CC)CCOc1ccc([C@@](O)(Cc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000002041305 560186276 /nfs/dbraw/zinc/18/62/76/560186276.db2.gz KDYQVUUCWUPJGE-HHHXNRCGSA-N 1 0 419.565 4.894 40 0 in-vitro HJABRO COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006289395 560741544 /nfs/dbraw/zinc/74/15/44/560741544.db2.gz QWZZVYCGWCDLTQ-UHFFFAOYSA-N 1 0 419.550 4.571 40 0 HJABRO CCOc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OC ZINC000216471660 568465507 /nfs/dbraw/zinc/46/55/07/568465507.db2.gz HHWYUWLANUBSKK-FQEVSTJZSA-N 1 0 424.585 4.688 40 0 HJABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107587 568475385 /nfs/dbraw/zinc/47/53/85/568475385.db2.gz VVKLBOPOWVGVDO-LJQANCHMSA-N 1 0 403.931 4.812 40 0 HJABRO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)s1 ZINC000223887633 568562011 /nfs/dbraw/zinc/56/20/11/568562011.db2.gz SVBKJRVZBYNDAT-UHFFFAOYSA-N 1 0 410.996 4.544 40 0 HJABRO CCCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225662835 568661376 /nfs/dbraw/zinc/66/13/76/568661376.db2.gz UBNRRRAXCYOQDU-GBXCKJPGSA-N 1 0 402.579 4.865 40 0 HJABRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 ZINC000225729066 568668566 /nfs/dbraw/zinc/66/85/66/568668566.db2.gz UIWUBQUGYFUGOV-BETUJISGSA-N 1 0 418.832 4.757 40 0 HJABRO CCn1c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc2sc1=O ZINC000260897266 568743457 /nfs/dbraw/zinc/74/34/57/568743457.db2.gz KJCKFEUDLLRYJZ-INIZCTEOSA-N 1 0 409.555 4.567 40 0 HJABRO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257246205 568789340 /nfs/dbraw/zinc/78/93/40/568789340.db2.gz ITBRWKUJMFYETQ-IBGZPJMESA-N 1 0 415.541 4.735 40 0 HJABRO Cc1cc(Nc2ncccn2)cc(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)[nH+]1 ZINC000257281025 568798793 /nfs/dbraw/zinc/79/87/93/568798793.db2.gz ONIWZGAMGAWQDQ-UHFFFAOYSA-N 1 0 410.525 4.851 40 0 HJABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257308343 568806836 /nfs/dbraw/zinc/80/68/36/568806836.db2.gz TWJZJBYXBJDIKD-LJQANCHMSA-N 1 0 415.965 4.501 40 0 HJABRO Cc1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000328955884 568969549 /nfs/dbraw/zinc/96/95/49/568969549.db2.gz ADFFNWBERSAWOA-UHFFFAOYSA-N 1 0 401.352 4.855 40 0 HJABRO Cc1nc(N2CCc3ccc(Br)cc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000328984875 568971402 /nfs/dbraw/zinc/97/14/02/568971402.db2.gz HPULMMDQXIAJLR-UHFFFAOYSA-N 1 0 401.352 4.855 40 0 HJABRO COc1ccc(-c2cc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@@H]4C)c3)n[nH]2)cc1 ZINC000035317082 569052287 /nfs/dbraw/zinc/05/22/87/569052287.db2.gz LWLUTRYEUPOGNL-KRWDZBQOSA-N 1 0 404.514 4.712 40 0 HJABRO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000253594242 569318298 /nfs/dbraw/zinc/31/82/98/569318298.db2.gz SWRULZWHTDBBPH-LJFZDNNRSA-N 1 0 421.585 4.521 40 0 HJABRO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1OCC ZINC000009062544 569342135 /nfs/dbraw/zinc/34/21/35/569342135.db2.gz KWCBXOMUSLEACS-FQEVSTJZSA-N 1 0 424.585 4.882 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCSCc3cccc(Cl)c3)CC2)c1 ZINC000009063011 569342223 /nfs/dbraw/zinc/34/22/23/569342223.db2.gz WKIHOAPVYTYKEU-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CCCC1 ZINC000012408178 569344731 /nfs/dbraw/zinc/34/47/31/569344731.db2.gz BJZPMXNUCFTXNP-AZUAARDMSA-N 1 0 401.551 4.542 40 0 HJABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456047 569345471 /nfs/dbraw/zinc/34/54/71/569345471.db2.gz FXAKAGBHVQPKDR-JIPXPUAJSA-N 1 0 413.565 4.533 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019570240 569345817 /nfs/dbraw/zinc/34/58/17/569345817.db2.gz BFNRFIIFQPRIMC-WMZHIEFXSA-N 1 0 421.566 4.535 40 0 HJABRO Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1C ZINC000020241797 569349585 /nfs/dbraw/zinc/34/95/85/569349585.db2.gz JQKHYQVSWHIGJN-UHFFFAOYSA-N 1 0 413.565 4.874 40 0 HJABRO CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000020241752 569349639 /nfs/dbraw/zinc/34/96/39/569349639.db2.gz GEHHLWSYMVCZMP-UHFFFAOYSA-N 1 0 415.537 4.660 40 0 HJABRO O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccn2)C1 ZINC000020503197 575369329 /nfs/dbraw/zinc/36/93/29/575369329.db2.gz CPMFUXQEZPPEGB-PKOBYXMFSA-N 1 0 413.546 4.744 40 0 biogenic,in-vitro HJABRO Cc1ccc(-c2cn3c(n2)CO[C@@H](C[NH2+]Cc2ccc(-c4ccccn4)cc2)C3)cc1 ZINC000096269343 291279531 /nfs/dbraw/zinc/27/95/31/291279531.db2.gz CIJLCXIVYLGORU-QHCPKHFHSA-N 1 0 410.521 4.609 40 0 biogenic,in-vitro HJABRO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CSc2ccccc2)on1)Nc1ccccc1 ZINC000015673474 291280257 /nfs/dbraw/zinc/28/02/57/291280257.db2.gz DWXQIGVQUGHXCR-OALUTQOASA-N 1 0 421.566 4.764 40 0 biogenic,in-vitro HJABRO O=c1ccc(-c2cccs2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cc3ccccc3o2)C1 ZINC000005433829 291280717 /nfs/dbraw/zinc/28/07/17/291280717.db2.gz GDLUKZBMRQOGHO-FUHWJXTLSA-N 1 0 402.519 4.942 40 0 biogenic,in-vitro HJABRO O=c1c(/C=C/c2ccc(Cl)cc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccn2)C1 ZINC000003841854 291280737 /nfs/dbraw/zinc/28/07/37/291280737.db2.gz OEPJMBSJAJUBFK-ZJXRNUBLSA-N 1 0 417.940 4.686 40 0 biogenic,in-vitro HJABRO CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044916109 519782751 /nfs/dbraw/zinc/78/27/51/519782751.db2.gz FSWZHEZTISLMBX-JOCHJYFZSA-N 1 0 412.549 4.574 40 0 HJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(OC)cc1 ZINC000044936301 522668792 /nfs/dbraw/zinc/66/87/92/522668792.db2.gz VGZVQMMDIABBTC-JOCHJYFZSA-N 1 0 400.950 4.828 40 0 HJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)C1 ZINC000044909137 524091363 /nfs/dbraw/zinc/09/13/63/524091363.db2.gz NISZUEVEARGAEG-SFHVURJKSA-N 1 0 400.563 4.721 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCCc3cccc(OC(C)C)c3)CC2)cc1 ZINC000044916138 524434916 /nfs/dbraw/zinc/43/49/16/524434916.db2.gz JYASCGCNEWXJOV-UHFFFAOYSA-N 1 0 408.586 4.743 40 0 HJABRO Cc1cc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(C)c1Cl ZINC000044874962 525363955 /nfs/dbraw/zinc/36/39/55/525363955.db2.gz SHIMXIMYQFITPH-UHFFFAOYSA-N 1 0 400.950 4.638 40 0 HJABRO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccc(F)cc3)CC1)CC(C)(C)O2 ZINC000044855245 526198992 /nfs/dbraw/zinc/19/89/92/526198992.db2.gz GLRHQTUKNROOSV-JOCHJYFZSA-N 1 0 410.533 4.765 40 0 HJABRO O=C(NCCCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044906343 526271723 /nfs/dbraw/zinc/27/17/23/526271723.db2.gz GHRVXQLNSALGTD-LJQANCHMSA-N 1 0 405.369 4.954 40 0 HJABRO Cc1nccn1-c1ccc(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)cc1 ZINC000043277848 527367838 /nfs/dbraw/zinc/36/78/38/527367838.db2.gz PNADAFLDYLIQFD-UHFFFAOYSA-N 1 0 403.505 4.609 40 0 HJABRO CC(C)[NH2+]C[C@H](O)COc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000001570824 557272848 /nfs/dbraw/zinc/27/28/48/557272848.db2.gz CVKJFGQPZYUYQB-QHCPKHFHSA-N 1 0 421.537 4.582 40 0 HJABRO CCN1c2ccccc2C[C@@](CC[N@H+](C)Cc2ccccc2)(C(N)=O)c2ccccc21 ZINC000005389811 557650099 /nfs/dbraw/zinc/65/00/99/557650099.db2.gz PHPYRCJGEGCQNA-HHHXNRCGSA-N 1 0 413.565 4.646 40 0 HJABRO CC(C)[NH2+]C[C@@H](O)COc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000005962950 557682844 /nfs/dbraw/zinc/68/28/44/557682844.db2.gz CVKJFGQPZYUYQB-HSZRJFAPSA-N 1 0 421.537 4.582 40 0 HJABRO CC(C)n1c2ccccc2nc1[C@@H](C)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000035316855 557691688 /nfs/dbraw/zinc/69/16/88/557691688.db2.gz ATAGWYYEZDIFKC-LJQANCHMSA-N 1 0 404.558 4.674 40 0 HJABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@H](O)CO[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000020109639 558334665 /nfs/dbraw/zinc/33/46/65/558334665.db2.gz WWJTXTCUTDBECO-QBTGUUFSSA-N 1 0 423.041 4.609 40 0 HJABRO Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc3ccccc3nc2N(C)C)s1 ZINC000012147031 558338083 /nfs/dbraw/zinc/33/80/83/558338083.db2.gz ZANJUKLUWMTOOC-UHFFFAOYSA-N 1 0 419.598 4.960 40 0 HJABRO Cc1cc(-c2cnc(NC[C@H](c3ccc(F)cc3)[NH+](C)C)nc2-c2ccoc2C)on1 ZINC000012251515 558362232 /nfs/dbraw/zinc/36/22/32/558362232.db2.gz RFGBBGPSBGVLRP-HXUWFJFHSA-N 1 0 421.476 4.862 40 0 HJABRO Clc1ccccc1COc1ccc2ccccc2c1C[NH2+]CCCN1CCOCC1 ZINC000022074038 558462220 /nfs/dbraw/zinc/46/22/20/558462220.db2.gz INJIEKXNCXACLS-UHFFFAOYSA-N 1 0 424.972 4.884 40 0 HJABRO O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000013680153 558566220 /nfs/dbraw/zinc/56/62/20/558566220.db2.gz PWGCRMSVBXNMDU-UHFFFAOYSA-N 1 0 405.542 4.551 40 0 HJABRO COc1cc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c(OC)cc1Cl ZINC000039758899 558689621 /nfs/dbraw/zinc/68/96/21/558689621.db2.gz LGSZVIPGBUYLCA-UHFFFAOYSA-N 1 0 423.340 4.861 40 0 HJABRO O=C(Nc1ccc(Br)cc1F)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030938560 558745124 /nfs/dbraw/zinc/74/51/24/558745124.db2.gz YBCRIHYJZRWQAI-CQSZACIVSA-N 1 0 409.274 4.578 40 0 HJABRO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030946106 558746464 /nfs/dbraw/zinc/74/64/64/558746464.db2.gz QGTFZXOYXNOATN-KRWDZBQOSA-N 1 0 421.368 4.873 40 0 HJABRO S=C(Nc1ccccc1Cl)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000033915752 558772207 /nfs/dbraw/zinc/77/22/07/558772207.db2.gz KEATZXBGXZSMPR-XWDORNJCSA-N 1 0 402.007 4.932 40 0 HJABRO CC1(C)CC(N(Cc2cccn2-c2cccnc2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000036740504 558801737 /nfs/dbraw/zinc/80/17/37/558801737.db2.gz DZKAYINVHYAILC-UHFFFAOYSA-N 1 0 403.574 4.579 40 0 HJABRO CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000038855165 558819186 /nfs/dbraw/zinc/81/91/86/558819186.db2.gz AZABBRGIVUYUCZ-UHFFFAOYSA-N 1 0 407.558 4.557 40 0 HJABRO CC(C)(C)c1cc(C(F)(F)F)n2nc(C3CC[NH+](Cc4ccncc4)CC3)cc2n1 ZINC000019083848 558840617 /nfs/dbraw/zinc/84/06/17/558840617.db2.gz AHFMYVTWXZZVAP-UHFFFAOYSA-N 1 0 417.479 4.820 40 0 HJABRO Cc1ncc(C[N@H+]2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019287224 558860821 /nfs/dbraw/zinc/86/08/21/558860821.db2.gz MVKZBCHETYPALL-HNNXBMFYSA-N 1 0 419.451 4.843 40 0 HJABRO O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(F)c3F)CC[C@@H]21 ZINC000019292750 558864478 /nfs/dbraw/zinc/86/44/78/558864478.db2.gz QQHJZGVSILVRTA-ZJOUEHCJSA-N 1 0 416.537 4.643 40 0 HJABRO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019370918 558879054 /nfs/dbraw/zinc/87/90/54/558879054.db2.gz TWANSWJNDYJRDR-DHLKQENFSA-N 1 0 419.594 4.845 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449592 558887986 /nfs/dbraw/zinc/88/79/86/558887986.db2.gz PGIHKKGNNIHGLW-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449590 558888015 /nfs/dbraw/zinc/88/80/15/558888015.db2.gz PGIHKKGNNIHGLW-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449625 558888308 /nfs/dbraw/zinc/88/83/08/558888308.db2.gz XXCAYAVYCCBPKR-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 ZINC000019554976 558917890 /nfs/dbraw/zinc/91/78/90/558917890.db2.gz QLCGPQOOOVIBTM-HSZRJFAPSA-N 1 0 421.566 4.535 40 0 HJABRO COc1cccc(C[NH+]2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 ZINC000019564876 558925035 /nfs/dbraw/zinc/92/50/35/558925035.db2.gz AKRUZPOZNCMKMX-QHCPKHFHSA-N 1 0 421.566 4.535 40 0 HJABRO COc1cccc(-c2cccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4(O)c3ccccn3)c2)c1 ZINC000019566719 558926259 /nfs/dbraw/zinc/92/62/59/558926259.db2.gz LBNDXIJOECADRH-VKSRLUHHSA-N 1 0 414.549 4.877 40 0 HJABRO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000019568927 558928165 /nfs/dbraw/zinc/92/81/65/558928165.db2.gz NUKXZYKENZPWCP-OFVILXPXSA-N 1 0 421.585 4.854 40 0 HJABRO COc1ccc(NC(=O)c2cc(C3CC[NH+](Cc4cccc(F)c4)CC3)no2)c(C)c1 ZINC000019570981 558929690 /nfs/dbraw/zinc/92/96/90/558929690.db2.gz GWDQNXBAXHFQRN-UHFFFAOYSA-N 1 0 423.488 4.763 40 0 HJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000072330438 558934716 /nfs/dbraw/zinc/93/47/16/558934716.db2.gz AHYXWHRDNZKYSF-BWKNWUBXSA-N 1 0 409.549 4.871 40 0 HJABRO COc1cccc(C[NH2+][C@H](Cc2cc(N(C)C)nc(C3CC3)n2)c2ccccc2)c1 ZINC000019584274 558938325 /nfs/dbraw/zinc/93/83/25/558938325.db2.gz SHSBWCGWVJZANV-HSZRJFAPSA-N 1 0 402.542 4.502 40 0 HJABRO C[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F ZINC000019586523 558939676 /nfs/dbraw/zinc/93/96/76/558939676.db2.gz IFWGEOSMPBRJOL-VWLOTQADSA-N 1 0 418.512 4.584 40 0 HJABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@H+](Cc3cccnc3)C2)n1 ZINC000072345961 558942540 /nfs/dbraw/zinc/94/25/40/558942540.db2.gz BLZWHMCJTFGZRN-QGZVFWFLSA-N 1 0 413.447 4.519 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 ZINC000019690309 558959575 /nfs/dbraw/zinc/95/95/75/558959575.db2.gz ZTJMPQXKZLCCCE-FQEVSTJZSA-N 1 0 414.475 4.804 40 0 HJABRO CC[NH+](CC)C1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(C)cc32)CC1 ZINC000019719050 558982748 /nfs/dbraw/zinc/98/27/48/558982748.db2.gz PISOUOJDLYIHFG-UHFFFAOYSA-N 1 0 402.542 4.552 40 0 HJABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000585165373 559066419 /nfs/dbraw/zinc/06/64/19/559066419.db2.gz LIXDECDNUFAKLZ-HXUWFJFHSA-N 1 0 422.960 4.715 40 0 HJABRO Cc1ccnc(Nc2cc([C@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)nc(C)n2)c1 ZINC000585169386 559068050 /nfs/dbraw/zinc/06/80/50/559068050.db2.gz HOKDXDXBHZQWFB-SFHVURJKSA-N 1 0 409.484 4.890 40 0 HJABRO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccsc5)CC4)nn3c2)c1 ZINC000096038220 559091945 /nfs/dbraw/zinc/09/19/45/559091945.db2.gz NDSSZEDEAMYISO-UHFFFAOYSA-N 1 0 404.539 4.846 40 0 HJABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21 ZINC000096053511 559093587 /nfs/dbraw/zinc/09/35/87/559093587.db2.gz KMFULCUSOCOWDQ-FQEVSTJZSA-N 1 0 412.599 4.811 40 0 HJABRO O=C(Nc1ccccc1)N1C[C@@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)C[C@@H]2C1 ZINC000096245598 559105201 /nfs/dbraw/zinc/10/52/01/559105201.db2.gz MBKQVMDLCDLFBL-PSWAGMNNSA-N 1 0 411.549 4.914 40 0 HJABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/c4ccco4)C3)c2)n1 ZINC000585291999 559124492 /nfs/dbraw/zinc/12/44/92/559124492.db2.gz IDFLLJCMDFZBRI-CSHXORCISA-N 1 0 417.513 4.553 40 0 HJABRO Cc1ccn(CCNC(=O)c2sc3ccccc3c2[C@H]2CC[C@H](C[NH+](C)C)CC2)n1 ZINC000100658930 559137471 /nfs/dbraw/zinc/13/74/71/559137471.db2.gz HTNOHXQFHLFCSM-KDURUIRLSA-N 1 0 424.614 4.672 40 0 HJABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@]2(O)CC[NH3+] ZINC000118926649 559206094 /nfs/dbraw/zinc/20/60/94/559206094.db2.gz RQLXCBXLAWPNRI-YQNXASARSA-N 1 0 417.634 4.941 40 0 HJABRO CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+](CC)CC)cc2)c1 ZINC000006629139 560744505 /nfs/dbraw/zinc/74/45/05/560744505.db2.gz ZBFLYWTUIUUNBX-UHFFFAOYSA-N 1 0 413.587 4.834 40 0 HJABRO O=C(NCCSCc1c(F)cccc1Cl)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010335405 560767727 /nfs/dbraw/zinc/76/77/27/560767727.db2.gz RTTLADMEUNRHFO-UHFFFAOYSA-N 1 0 406.954 4.738 40 0 HJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc(-c4ccccc4Cl)no3)cc2)C1 ZINC000219240670 568488201 /nfs/dbraw/zinc/48/82/01/568488201.db2.gz WQUIDTCIFREKOS-INIZCTEOSA-N 1 0 424.932 4.552 40 0 HJABRO O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219964328 568500445 /nfs/dbraw/zinc/50/04/45/568500445.db2.gz LFXNORYLUFDDCO-UHFFFAOYSA-N 1 0 424.932 4.696 40 0 HJABRO COc1ccc(-c2nnc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)s2)cc1 ZINC000223253705 568542740 /nfs/dbraw/zinc/54/27/40/568542740.db2.gz LVCCNWNMDWCXLE-MRXNPFEDSA-N 1 0 422.554 4.698 40 0 HJABRO O=C(NCCOc1ccc2ccccc2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223637665 568554348 /nfs/dbraw/zinc/55/43/48/568554348.db2.gz UBXGJKPQTQIBBR-JOCHJYFZSA-N 1 0 422.956 4.900 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccccc3C(C)(C)C)CC2)cc1 ZINC000223717085 568557176 /nfs/dbraw/zinc/55/71/76/568557176.db2.gz RMBYXNRZSJLZJI-UHFFFAOYSA-N 1 0 408.586 4.700 40 0 HJABRO Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224227225 568574444 /nfs/dbraw/zinc/57/44/44/568574444.db2.gz CKMXNBVPEONVDI-DHIUTWEWSA-N 1 0 411.534 4.753 40 0 HJABRO O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000225198762 568622035 /nfs/dbraw/zinc/62/20/35/568622035.db2.gz WILJXTHUFMUOSR-UHFFFAOYSA-N 1 0 406.570 4.541 40 0 HJABRO Cc1cccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CCOCC2)c1 ZINC000225566595 568651807 /nfs/dbraw/zinc/65/18/07/568651807.db2.gz XXHXPLFCINEZCY-UHFFFAOYSA-N 1 0 422.569 4.547 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225715403 568667012 /nfs/dbraw/zinc/66/70/12/568667012.db2.gz DGVTZKMVEXOKIA-QTDDQOEGSA-N 1 0 416.606 4.967 40 0 HJABRO C[NH+]1CCC(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CC1 ZINC000225800236 568675667 /nfs/dbraw/zinc/67/56/67/568675667.db2.gz ZBGFPKOENIWDTE-UHFFFAOYSA-N 1 0 409.599 4.596 40 0 HJABRO c1c2ccccc2oc1-c1nnc2sc(CC[N@@H+]3CC[C@@H](c4ccccc4)C3)nn21 ZINC000096194459 568704257 /nfs/dbraw/zinc/70/42/57/568704257.db2.gz VSAJFDHXTQTLNB-GOSISDBHSA-N 1 0 415.522 4.631 40 0 HJABRO COc1cc(C)ccc1CNc1cc(-c2c[nH]nc2[C@@H]2CC[N@@H+](C(C)C)C2)ccn1 ZINC000257253026 568791208 /nfs/dbraw/zinc/79/12/08/568791208.db2.gz JXHQBHUXMKSZCM-HXUWFJFHSA-N 1 0 405.546 4.599 40 0 HJABRO c1coc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCc4ncc(-c5ccncc5)n4C[C@@H]23)c1 ZINC000306141509 568903129 /nfs/dbraw/zinc/90/31/29/568903129.db2.gz VYQVBDIBROBISY-AOYPEHQESA-N 1 0 410.521 4.697 40 0 HJABRO CC[NH+]1CCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)CC1 ZINC000057719607 569053717 /nfs/dbraw/zinc/05/37/17/569053717.db2.gz OVFJVFBIQJIMLI-UHFFFAOYSA-N 1 0 418.585 4.580 40 0 HJABRO C[C@H](C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000248137584 569316336 /nfs/dbraw/zinc/31/63/36/569316336.db2.gz AMPDDSIZYOYEQN-KAGYGMCKSA-N 1 0 420.582 4.525 40 0 HJABRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063277 569342352 /nfs/dbraw/zinc/34/23/52/569342352.db2.gz NVJCQPZVLOWQNK-UHFFFAOYSA-N 1 0 407.739 4.953 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000019570222 569345748 /nfs/dbraw/zinc/34/57/48/569345748.db2.gz ABLIGMZVMXTMTD-BKMJKUGQSA-N 1 0 421.585 4.740 40 0 HJABRO Fc1ccc(OCc2cc([C@H]3CC[N@H+](Cc4ccc5ncccc5c4)C3)n[nH]2)cc1 ZINC000019704546 569347643 /nfs/dbraw/zinc/34/76/43/569347643.db2.gz VEEMCFDGLUKKES-IBGZPJMESA-N 1 0 402.473 4.666 40 0 HJABRO CC(C)n1c(C[N@@H+]2CC[C@@H](c3cc(COc4ccccc4)[nH]n3)C2)nc2ccccc21 ZINC000019704709 569347727 /nfs/dbraw/zinc/34/77/27/569347727.db2.gz KNNAHSVSPXTPMT-LJQANCHMSA-N 1 0 415.541 4.909 40 0 HJABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+]4CCC(O)CC4)C=C3C)o2)cc1 ZINC000030883099 291274239 /nfs/dbraw/zinc/27/42/39/291274239.db2.gz YIBSDJRDIBRCNU-FIXSFTCYSA-N 1 0 423.601 4.899 40 0 biogenic,in-vitro HJABRO CC1=C[C@@H](C[NH2+]CCc2c[nH]cn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000035442640 291274487 /nfs/dbraw/zinc/27/44/87/291274487.db2.gz WVMFSTKXCILBBH-FUDKSRODSA-N 1 0 419.573 4.689 40 0 biogenic,in-vitro HJABRO CCOC(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)ccc1Cl ZINC000044939611 521441297 /nfs/dbraw/zinc/44/12/97/521441297.db2.gz SLENRXJESSPNFU-MRXNPFEDSA-N 1 0 418.896 4.507 40 0 HJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1)c1ccc(OC)cc1 ZINC000044936297 522363691 /nfs/dbraw/zinc/36/36/91/522363691.db2.gz VGZVQMMDIABBTC-QFIPXVFZSA-N 1 0 400.950 4.828 40 0 HJABRO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875460 522871666 /nfs/dbraw/zinc/87/16/66/522871666.db2.gz IRVTVNHUDOLJMC-QFIPXVFZSA-N 1 0 400.950 4.800 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCCc3cccc(OC(C)C)c3)CC2)c1 ZINC000044916134 524387173 /nfs/dbraw/zinc/38/71/73/524387173.db2.gz UDVSLVVBHYZQTM-UHFFFAOYSA-N 1 0 408.586 4.743 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)cc1 ZINC000044855226 524436334 /nfs/dbraw/zinc/43/63/34/524436334.db2.gz AOPDXRLFFAOOBM-QHCPKHFHSA-N 1 0 406.570 4.934 40 0 HJABRO Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044852670 525304300 /nfs/dbraw/zinc/30/43/00/525304300.db2.gz DIICXXXABWXOGN-OAQYLSRUSA-N 1 0 414.549 4.751 40 0 HJABRO COc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3cccc(C)c3)CC1)CC(C)(C)O2 ZINC000044855520 525573703 /nfs/dbraw/zinc/57/37/03/525573703.db2.gz FAQZFZKJNWJWDB-QHCPKHFHSA-N 1 0 422.569 4.634 40 0 HJABRO Cc1ccc(-n2cccc2C[N@H+](CCCn2ccnc2)Cc2cccc(F)c2)nc1 ZINC000043277732 525912199 /nfs/dbraw/zinc/91/21/99/525912199.db2.gz ZNUSOWPNOKWGGO-UHFFFAOYSA-N 1 0 403.505 4.609 40 0 HJABRO O=C(Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000044915804 527411002 /nfs/dbraw/zinc/41/10/02/527411002.db2.gz MNXNPNPZEABGQN-NRFANRHFSA-N 1 0 416.496 4.907 40 0 HJABRO COc1ccc(CC[NH2+]Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OC ZINC000008550140 557794747 /nfs/dbraw/zinc/79/47/47/557794747.db2.gz BDZMXHBAWGRTAO-UHFFFAOYSA-N 1 0 421.537 4.932 40 0 HJABRO O=C(Nc1nccs1)c1cc([C@@H]2C[N@@H+](C3CCCCC3)CCO2)nc2ccccc21 ZINC000019754433 558273780 /nfs/dbraw/zinc/27/37/80/558273780.db2.gz ZCPZNILGWOHXBI-NRFANRHFSA-N 1 0 422.554 4.650 40 0 HJABRO Cc1nc(-c2cc(C)ccc2C)c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000012238214 558358885 /nfs/dbraw/zinc/35/88/85/558358885.db2.gz AGIAESLKGNUKNU-HXUWFJFHSA-N 1 0 411.615 4.755 40 0 HJABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293615 558366753 /nfs/dbraw/zinc/36/67/53/558366753.db2.gz PDVZPDYYEXQMRW-DNQXCXABSA-N 1 0 403.522 4.532 40 0 HJABRO CC(C)(C)c1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293567 558366773 /nfs/dbraw/zinc/36/67/73/558366773.db2.gz JDWBHSUFEBWAMY-FGZHOGPDSA-N 1 0 413.533 4.507 40 0 HJABRO Cc1cc2c(cc1C)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293604 558366814 /nfs/dbraw/zinc/36/68/14/558366814.db2.gz IVUFUDXYAVTLJF-DQEYMECFSA-N 1 0 417.549 4.841 40 0 HJABRO COc1cc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)ccc1OC(C)C ZINC000020456261 558369676 /nfs/dbraw/zinc/36/96/76/558369676.db2.gz SGXUOOXTJBAFJH-UHFFFAOYSA-N 1 0 410.558 4.644 40 0 HJABRO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020460056 558372418 /nfs/dbraw/zinc/37/24/18/558372418.db2.gz GENSBTZKYIDIBQ-OAHLLOKOSA-N 1 0 400.906 4.611 40 0 HJABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 ZINC000012329855 558384823 /nfs/dbraw/zinc/38/48/23/558384823.db2.gz JPDYXERKSBHLFN-DHIUTWEWSA-N 1 0 423.940 4.877 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000012408209 558399127 /nfs/dbraw/zinc/39/91/27/558399127.db2.gz RRXVUHBFJQNFRY-PZJWPPBQSA-N 1 0 409.530 4.666 40 0 HJABRO O=C(NCCSCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039742653 558686901 /nfs/dbraw/zinc/68/69/01/558686901.db2.gz DJCQFXWLGNWKJU-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)C1 ZINC000030754278 558736733 /nfs/dbraw/zinc/73/67/33/558736733.db2.gz DEWYIADKEMBQMB-GJZGRUSLSA-N 1 0 403.419 4.711 40 0 HJABRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 ZINC000030871763 558743522 /nfs/dbraw/zinc/74/35/22/558743522.db2.gz FNRDRWJYHHWXPD-FGZHOGPDSA-N 1 0 419.613 4.737 40 0 HJABRO COc1ccc2nc(CN(Cc3ccncc3)C3CC(C)(C)[NH2+]C(C)(C)C3)ccc2c1 ZINC000036740559 558801892 /nfs/dbraw/zinc/80/18/92/558801892.db2.gz FVTNPUGAEMJXCZ-UHFFFAOYSA-N 1 0 418.585 4.950 40 0 HJABRO O=C(Nc1ccccc1Br)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834882 558817859 /nfs/dbraw/zinc/81/78/59/558817859.db2.gz DCUDODIPSVJOGB-OAHLLOKOSA-N 1 0 407.739 4.953 40 0 HJABRO CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038855168 558819254 /nfs/dbraw/zinc/81/92/54/558819254.db2.gz WVBDWYJDVXQJES-LJQANCHMSA-N 1 0 407.558 4.557 40 0 HJABRO COc1ccc(C)cc1C[NH+]1CCC(c2n[nH]cc2C(=O)N(C)C2CCCCC2)CC1 ZINC000019133345 558845793 /nfs/dbraw/zinc/84/57/93/558845793.db2.gz JUUXHEUHBXHMBJ-UHFFFAOYSA-N 1 0 424.589 4.511 40 0 HJABRO Cc1ccc2[nH]cc([C@H](O)C[NH+]3CCC4(CC3)CC(=O)c3cc(C)c(C)cc3O4)c2c1 ZINC000019220530 558851620 /nfs/dbraw/zinc/85/16/20/558851620.db2.gz QOYMUANNAVJMRM-XMMPIXPASA-N 1 0 418.537 4.627 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019236842 558856180 /nfs/dbraw/zinc/85/61/80/558856180.db2.gz VCDXCLFDGWAWMW-SQJMNOBHSA-N 1 0 417.528 4.912 40 0 HJABRO Cc1cnccc1C[N@H+]1CCC[C@@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019239517 558858006 /nfs/dbraw/zinc/85/80/06/558858006.db2.gz PNHAIGLWJIJXJO-QGZVFWFLSA-N 1 0 417.479 4.955 40 0 HJABRO CC(C)[C@@H](NC(=O)c1ccoc1C[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000019445847 558885943 /nfs/dbraw/zinc/88/59/43/558885943.db2.gz UMWINNDUCOVNBH-HSZRJFAPSA-N 1 0 412.530 4.554 40 0 HJABRO CC(C)CNC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](C2CCCC2)C1 ZINC000019447314 558886538 /nfs/dbraw/zinc/88/65/38/558886538.db2.gz RJIPUERLYCGXHS-AREMUKBSSA-N 1 0 405.586 4.698 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449633 558888203 /nfs/dbraw/zinc/88/82/03/558888203.db2.gz WEUOTDIIIKOIMM-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)Nc1ncc(-c2cccnc2)c(C2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000019450340 558888889 /nfs/dbraw/zinc/88/88/89/558888889.db2.gz HPILKWNORSCBNM-UHFFFAOYSA-N 1 0 405.521 4.878 40 0 HJABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+](Cc4ccncc4)C3)cc2n1 ZINC000019452290 558890127 /nfs/dbraw/zinc/89/01/27/558890127.db2.gz QMNCDPOBKVPWBZ-INIZCTEOSA-N 1 0 403.452 4.646 40 0 HJABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](Cc2cccnc2NC)C1 ZINC000019522021 558903214 /nfs/dbraw/zinc/90/32/14/558903214.db2.gz QLAOTCXUIXOEOA-CYBMUJFWSA-N 1 0 419.451 4.620 40 0 HJABRO O=C(C1CCC1)N1CCc2c3ccccc3[nH]c2C12CC[NH+](Cc1ccccc1)CC2 ZINC000072325652 558933346 /nfs/dbraw/zinc/93/33/46/558933346.db2.gz CBIGLVGSBGSREQ-UHFFFAOYSA-N 1 0 413.565 4.844 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000072330499 558934740 /nfs/dbraw/zinc/93/47/40/558934740.db2.gz POCFLAXVMYQDQM-RDPSFJRHSA-N 1 0 421.491 4.743 40 0 HJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000072330442 558934838 /nfs/dbraw/zinc/93/48/38/558934838.db2.gz GVMOOXRARZPCAJ-BWKNWUBXSA-N 1 0 409.549 4.871 40 0 HJABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072330774 558935168 /nfs/dbraw/zinc/93/51/68/558935168.db2.gz FFUFRNCBEZQEJL-XXBNENTESA-N 1 0 409.574 4.514 40 0 HJABRO CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000072350216 558947103 /nfs/dbraw/zinc/94/71/03/558947103.db2.gz DAMHNSDVUWQNGX-HXUWFJFHSA-N 1 0 411.977 4.516 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352456 558948695 /nfs/dbraw/zinc/94/86/95/558948695.db2.gz IYQXBHJSWMYSBF-GOSISDBHSA-N 1 0 401.535 4.799 40 0 HJABRO COc1cccc(-c2nc3sccn3c2C[NH+]2CCC(n3nc(C)cc3C)CC2)c1 ZINC000019656937 558949716 /nfs/dbraw/zinc/94/97/16/558949716.db2.gz ANCGTSWKKJDWSN-UHFFFAOYSA-N 1 0 421.570 4.722 40 0 HJABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000072358520 558954157 /nfs/dbraw/zinc/95/41/57/558954157.db2.gz GZYCWOMNHLCFQU-QFIPXVFZSA-N 1 0 400.526 4.524 40 0 HJABRO C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 ZINC000072361051 558955995 /nfs/dbraw/zinc/95/59/95/558955995.db2.gz VDQDNTOOLLNHAD-QFIPXVFZSA-N 1 0 417.528 4.969 40 0 HJABRO CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ncc[nH]1 ZINC000072370652 558957039 /nfs/dbraw/zinc/95/70/39/558957039.db2.gz LHVIXRSUENPPMS-QGZVFWFLSA-N 1 0 410.587 4.750 40 0 HJABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)[nH+]1 ZINC000072372695 558960607 /nfs/dbraw/zinc/96/06/07/558960607.db2.gz MFIXDYRVMWKUJR-JOCHJYFZSA-N 1 0 415.541 4.974 40 0 HJABRO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000019690998 558960655 /nfs/dbraw/zinc/96/06/55/558960655.db2.gz DCKCWDUIJIZUMN-HSZRJFAPSA-N 1 0 400.526 4.898 40 0 HJABRO CCOc1ccc(COC)cc1C[NH+]1CCC(c2cc(-c3cn[nH]c3)cc(C)n2)CC1 ZINC000019692134 558961612 /nfs/dbraw/zinc/96/16/12/558961612.db2.gz UIQYCWWNPVUSKN-UHFFFAOYSA-N 1 0 420.557 4.705 40 0 HJABRO C[NH2+][C@@H](c1nc(-c2ccc(Br)cc2)c[nH]1)c1ccc(Br)cc1 ZINC000072414102 558977932 /nfs/dbraw/zinc/97/79/32/558977932.db2.gz DCCIVDCUBFIOIS-MRXNPFEDSA-N 1 0 421.136 4.911 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)c2ncc(-c4ccc(C)cc4)n2CCN3C)s1 ZINC000096037084 559090923 /nfs/dbraw/zinc/09/09/23/559090923.db2.gz IEYWTJXNBIPOHM-UHFFFAOYSA-N 1 0 406.599 4.665 40 0 HJABRO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccc(C)o5)CC4)nn3c2)c1 ZINC000096038223 559091935 /nfs/dbraw/zinc/09/19/35/559091935.db2.gz XVHBVFRIWKZFHB-UHFFFAOYSA-N 1 0 402.498 4.686 40 0 HJABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(C)o3)CC2)Oc2ccccc21 ZINC000096053468 559093434 /nfs/dbraw/zinc/09/34/34/559093434.db2.gz KUSMOGYYEIQHIE-HXUWFJFHSA-N 1 0 410.558 4.747 40 0 HJABRO O=C(c1cscn1)N1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096203118 559101197 /nfs/dbraw/zinc/10/11/97/559101197.db2.gz IYUCZSCHAIZYFF-DEOSSOPVSA-N 1 0 403.551 4.548 40 0 HJABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@@H+]2CCCc2ccccc2)C1 ZINC000096214559 559101688 /nfs/dbraw/zinc/10/16/88/559101688.db2.gz UMKXCOGKKPVWFP-VWLOTQADSA-N 1 0 410.989 4.972 40 0 HJABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3c(Cl)cccc3Cl)cc2)CC1 ZINC000113932984 559182244 /nfs/dbraw/zinc/18/22/44/559182244.db2.gz DSAJLZCRUMQTHF-UHFFFAOYSA-N 1 0 424.397 4.617 40 0 HJABRO C=C1[NH+]=C(SCCCC)N[C@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408986336 560661650 /nfs/dbraw/zinc/66/16/50/560661650.db2.gz BVQCJXUDVUDEMT-MRXNPFEDSA-N 1 0 411.365 4.820 40 0 HJABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)cc1Cl ZINC000006548105 560744043 /nfs/dbraw/zinc/74/40/43/560744043.db2.gz PVEJLKHYUKGULJ-UHFFFAOYSA-N 1 0 408.354 4.716 40 0 HJABRO COCC[NH2+]Cc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000008469066 560755241 /nfs/dbraw/zinc/75/52/41/560755241.db2.gz UUOVAHJTACCNAY-UHFFFAOYSA-N 1 0 404.721 4.970 40 0 HJABRO O=C(Nc1ccc(I)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010369086 560818805 /nfs/dbraw/zinc/81/88/05/560818805.db2.gz YIYOWCLHVVOJAZ-UHFFFAOYSA-N 1 0 420.294 4.529 40 0 HJABRO S=C(c1ccccc1OCc1ccccc1)N1CCN(Cc2ccccc2)CC1 ZINC000019842624 560876312 /nfs/dbraw/zinc/87/63/12/560876312.db2.gz MSSLADNTQGZPQX-UHFFFAOYSA-N 1 0 402.563 4.759 40 0 HJABRO CCOC(=O)c1cccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000022913812 568500519 /nfs/dbraw/zinc/50/05/19/568500519.db2.gz OYUFVKZGNALTQT-UHFFFAOYSA-N 1 0 414.505 4.674 40 0 HJABRO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c2ccccc12 ZINC000222625174 568521143 /nfs/dbraw/zinc/52/11/43/568521143.db2.gz KFIHMJCDDXTZIY-UHFFFAOYSA-N 1 0 410.901 4.634 40 0 HJABRO COc1ccc(CN2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1OCc1ccccc1 ZINC000224086603 568569341 /nfs/dbraw/zinc/56/93/41/568569341.db2.gz ZZVRTZNHXPQCIY-CAOCKLPOSA-N 1 0 418.581 4.604 40 0 HJABRO Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)c1 ZINC000224227064 568574439 /nfs/dbraw/zinc/57/44/39/568574439.db2.gz CKMXNBVPEONVDI-GOTSBHOMSA-N 1 0 411.534 4.753 40 0 HJABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1cccc(OCc2ccccc2)c1 ZINC000224618354 568588448 /nfs/dbraw/zinc/58/84/48/568588448.db2.gz CEQXVZBWFGRSHW-UHFFFAOYSA-N 1 0 400.522 4.791 40 0 HJABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624516 568588841 /nfs/dbraw/zinc/58/88/41/568588841.db2.gz PPIUMELDMIYZQD-XMMPIXPASA-N 1 0 402.538 4.909 40 0 HJABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624676 568588905 /nfs/dbraw/zinc/58/89/05/568588905.db2.gz DJQABONKMUGKPO-VWLOTQADSA-N 1 0 402.538 4.909 40 0 HJABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000224782279 568596645 /nfs/dbraw/zinc/59/66/45/568596645.db2.gz UOZTXRNRDVOEKM-UHFFFAOYSA-N 1 0 400.522 4.791 40 0 HJABRO COc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+](C)C)cc3)CCCCC2)cc1 ZINC000225559175 568651197 /nfs/dbraw/zinc/65/11/97/568651197.db2.gz UFBKLCNVTFTWIS-UHFFFAOYSA-N 1 0 410.558 4.866 40 0 HJABRO Cc1cccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCC4)cc3)CCOCC2)c1 ZINC000225567066 568651833 /nfs/dbraw/zinc/65/18/33/568651833.db2.gz BVRLUECDKBQJPI-UHFFFAOYSA-N 1 0 422.569 4.547 40 0 HJABRO CC[NH+](CC)CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1 ZINC000225567023 568651940 /nfs/dbraw/zinc/65/19/40/568651940.db2.gz LZIBUMGRMAVXGF-UHFFFAOYSA-N 1 0 424.585 4.793 40 0 HJABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225631684 568658736 /nfs/dbraw/zinc/65/87/36/568658736.db2.gz RVSBWLFEKMIUQC-HXUWFJFHSA-N 1 0 402.579 4.865 40 0 HJABRO CO[C@@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225636734 568658901 /nfs/dbraw/zinc/65/89/01/568658901.db2.gz WYOVNAMKXAJKJT-NMMYMHLASA-N 1 0 402.579 4.864 40 0 HJABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225663768 568661636 /nfs/dbraw/zinc/66/16/36/568661636.db2.gz FVDBOKQMDKGUGZ-YKSBVNFPSA-N 1 0 402.579 4.865 40 0 HJABRO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCCCCC2)cc1)C1CC1 ZINC000225673005 568662747 /nfs/dbraw/zinc/66/27/47/568662747.db2.gz FXYFQBPAUBMGHC-DEOSSOPVSA-N 1 0 402.579 4.865 40 0 HJABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=S)Nc2ccc(Br)c(Cl)c2)C1 ZINC000225729095 568668444 /nfs/dbraw/zinc/66/84/44/568668444.db2.gz UIWUBQUGYFUGOV-STQMWFEESA-N 1 0 418.832 4.757 40 0 HJABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225734592 568669183 /nfs/dbraw/zinc/66/91/83/568669183.db2.gz SQVMYWLVQCQDPP-YKSBVNFPSA-N 1 0 404.595 4.967 40 0 HJABRO C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000225901057 568684484 /nfs/dbraw/zinc/68/44/84/568684484.db2.gz ABWVONLBYQGXMU-FUHWJXTLSA-N 1 0 413.359 4.639 40 0 HJABRO COc1cccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)c1 ZINC000225910774 568685328 /nfs/dbraw/zinc/68/53/28/568685328.db2.gz DXCWXHDLNRODRX-HNNXBMFYSA-N 1 0 407.341 4.877 40 0 HJABRO COc1ccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910686 568685349 /nfs/dbraw/zinc/68/53/49/568685349.db2.gz ZWGMXLHHMFMBOC-HNNXBMFYSA-N 1 0 407.341 4.877 40 0 HJABRO COc1ccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910665 568685404 /nfs/dbraw/zinc/68/54/04/568685404.db2.gz ZWGMXLHHMFMBOC-OAHLLOKOSA-N 1 0 407.341 4.877 40 0 HJABRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000247867242 568745793 /nfs/dbraw/zinc/74/57/93/568745793.db2.gz JLXOAABJPNYWPB-VAPDBKPJSA-N 1 0 418.585 4.555 40 0 HJABRO COc1cc(C)ccc1C[NH+]1CCC(c2cncc(Nc3ncccc3C)n2)CC1 ZINC000257208512 568778666 /nfs/dbraw/zinc/77/86/66/568778666.db2.gz BMLSWUDPOGMMQM-UHFFFAOYSA-N 1 0 403.530 4.620 40 0 HJABRO Cc1cc2ccccc2n1CC(=O)N1CCCCC[C@@H]2[NH2+][C@@H](Cc3ccccc3)C[C@H]21 ZINC000257240155 568787452 /nfs/dbraw/zinc/78/74/52/568787452.db2.gz HSGZCDIWEDFAQN-KYPHJKQUSA-N 1 0 415.581 4.694 40 0 HJABRO CCn1cc(C[N@@H+]2CC[C@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257258781 568792485 /nfs/dbraw/zinc/79/24/85/568792485.db2.gz KVMNTDDNIHGAED-SFHVURJKSA-N 1 0 410.591 4.721 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000257277611 568797723 /nfs/dbraw/zinc/79/77/23/568797723.db2.gz NYSOWCJRIJGYNO-KRWDZBQOSA-N 1 0 401.535 4.799 40 0 HJABRO CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccccc1)[N@@H+]2Cc1cccc(O)c1 ZINC000257286052 568800265 /nfs/dbraw/zinc/80/02/65/568800265.db2.gz PJZWMMINOJTVFS-KYPHJKQUSA-N 1 0 406.570 4.615 40 0 HJABRO Cc1cccc(Nc2cc(C)[nH+]c(C3CCN(C(=O)CC4(O)CCCCC4)CC3)c2)n1 ZINC000257302336 568804942 /nfs/dbraw/zinc/80/49/42/568804942.db2.gz SCNJMPSUMSACLQ-UHFFFAOYSA-N 1 0 422.573 4.628 40 0 HJABRO Cc1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329055943 568974975 /nfs/dbraw/zinc/97/49/75/568974975.db2.gz VPPKIFRZIWNYLD-UHFFFAOYSA-N 1 0 401.352 4.855 40 0 HJABRO C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](C[C@@H]4[C@H]3C[C@@H](O)[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]2C[N@@H+]2C[C@@H](C)CC[C@@H]12 ZINC000584567105 569048210 /nfs/dbraw/zinc/04/82/10/569048210.db2.gz NEMWYOKGHGSVSC-GSGWVTHISA-N 1 0 415.662 4.563 40 0 HJABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCC[N@@H+]3C[C@H]3CCOC3)nn21 ZINC000247663413 569315479 /nfs/dbraw/zinc/31/54/79/569315479.db2.gz UQQTWWUFYFFZMD-CJNGLKHVSA-N 1 0 422.476 4.650 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000248132327 569316363 /nfs/dbraw/zinc/31/63/63/569316363.db2.gz XOXJGZHJMGRMII-RQTOMXEWSA-N 1 0 403.570 4.929 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019570238 569345768 /nfs/dbraw/zinc/34/57/68/569345768.db2.gz BFNRFIIFQPRIMC-AUSIDOKSSA-N 1 0 421.566 4.535 40 0 HJABRO COc1ccccc1OCc1cc([C@@H]2CC[N@H+](Cc3cccc4ncccc34)C2)n[nH]1 ZINC000019704357 569347548 /nfs/dbraw/zinc/34/75/48/569347548.db2.gz KJSYWQVRJBIKGW-LJQANCHMSA-N 1 0 414.509 4.535 40 0 HJABRO CC(C)c1ccc(OCc2cc([C@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)n[nH]2)cc1 ZINC000019704270 569347576 /nfs/dbraw/zinc/34/75/76/569347576.db2.gz WDBHFFVNRRPQNS-FQEVSTJZSA-N 1 0 419.573 4.563 40 0 HJABRO Cc1ccccc1CN1C(=O)CCCC[C@H]2[N@H+](Cc3cnc(C(C)C)nc3)CC[C@]21C ZINC000019713380 569348378 /nfs/dbraw/zinc/34/83/78/569348378.db2.gz VJGXKKFNXJYXOW-ZEQKJWHPSA-N 1 0 420.601 4.844 40 0 HJABRO Cc1nc([C@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000019738742 569348599 /nfs/dbraw/zinc/34/85/99/569348599.db2.gz REARGFREOMOAEP-QHCPKHFHSA-N 1 0 420.594 4.932 40 0 HJABRO Cc1ccc(C)c(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000020241793 569349621 /nfs/dbraw/zinc/34/96/21/569349621.db2.gz KAGLADHPZDOGKK-UHFFFAOYSA-N 1 0 413.565 4.874 40 0 HJABRO CC(C)(C)[C@@H]1CCc2onc(C(=O)NC3(C[NH+]4CCCCC4)CCCCC3)c2C1 ZINC000141544882 569354701 /nfs/dbraw/zinc/35/47/01/569354701.db2.gz VILZYWKVUKDHEM-GOSISDBHSA-N 1 0 401.595 4.744 40 0 HJABRO O[C@@]1(c2ccc(Br)cc2)CN(c2cccc(Cl)c2)C2=[N+]1CCCCC2 ZINC000027525088 569363746 /nfs/dbraw/zinc/36/37/46/569363746.db2.gz NDCDPNYUIRTFLH-HXUWFJFHSA-N 1 0 420.758 4.753 40 0 HJABRO C[C@H]1CC[C@@H]2[N@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC=C5C[C@H](O)CC[C@@]54C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000070688102 569413430 /nfs/dbraw/zinc/41/34/30/569413430.db2.gz YRLBRLSLZIRTGX-MLQUENCRSA-N 1 0 413.646 4.627 40 0 biogenic HJABRO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3cccc(F)c3)[N@H+]2Cc2ccnc3ccccc23)N1 ZINC000019713915 569429017 /nfs/dbraw/zinc/42/90/17/569429017.db2.gz MIARSAFXPJLUGQ-IEZKXTBUSA-N 1 0 417.528 4.618 40 0 HJABRO CC(C)[N@H+]1C=C(Cc2ccc(F)cc2)C2=C(C1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2 ZINC000020459292 571314599 /nfs/dbraw/zinc/31/45/99/571314599.db2.gz FADZMELJKLGBMW-HSZRJFAPSA-N 1 0 419.475 4.877 40 0 HJABRO Cc1ccc([C@H](C)CC[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3cccnc3)CC2)o1 ZINC000012089606 132353819 /nfs/dbraw/zinc/35/38/19/132353819.db2.gz PDANRJHWMXIYOU-CJAUYULYSA-N 1 0 423.532 4.520 40 0 HJABRO CCOC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)ccc1Cl ZINC000044939631 521438474 /nfs/dbraw/zinc/43/84/74/521438474.db2.gz MEIBVRZWBIKRFR-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCCCC1 ZINC000225709541 521633078 /nfs/dbraw/zinc/63/30/78/521633078.db2.gz RMYIOTUMRIGWHM-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCSCc3ccccc3F)cc2)C1 ZINC000044909134 524231950 /nfs/dbraw/zinc/23/19/50/524231950.db2.gz NISZUEVEARGAEG-GOSISDBHSA-N 1 0 400.563 4.721 40 0 HJABRO CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000035316858 557691677 /nfs/dbraw/zinc/69/16/77/557691677.db2.gz ATAGWYYEZDIFKC-IBGZPJMESA-N 1 0 404.558 4.674 40 0 HJABRO CCOCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OCC)c1 ZINC000008253134 557778071 /nfs/dbraw/zinc/77/80/71/557778071.db2.gz GJFMNWQJBILBBP-UHFFFAOYSA-N 1 0 422.363 4.943 40 0 HJABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 ZINC000019742434 558262779 /nfs/dbraw/zinc/26/27/79/558262779.db2.gz IATGRNUNWXIHRF-QFIPXVFZSA-N 1 0 413.525 4.778 40 0 HJABRO C[C@H](NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccccn1 ZINC000019748826 558268242 /nfs/dbraw/zinc/26/82/42/558268242.db2.gz KAZXUJIDAPYBDR-INIZCTEOSA-N 1 0 405.464 4.580 40 0 HJABRO COc1cccc(CNC(=O)c2cnc([C@H]3CCCC[N@@H+]3C3CCCCC3)nc2C)c1 ZINC000019754010 558273330 /nfs/dbraw/zinc/27/33/30/558273330.db2.gz IMLZWJFFYOEKKQ-HSZRJFAPSA-N 1 0 422.573 4.583 40 0 HJABRO O=C(Nc1nccs1)c1cc([C@H]2C[N@@H+](C3CCCCC3)CCO2)nc2ccccc21 ZINC000019754435 558273696 /nfs/dbraw/zinc/27/36/96/558273696.db2.gz ZCPZNILGWOHXBI-OAQYLSRUSA-N 1 0 422.554 4.650 40 0 HJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022525199 558495623 /nfs/dbraw/zinc/49/56/23/558495623.db2.gz VCRCJCJAVPMKOY-DEOSSOPVSA-N 1 0 405.586 4.634 40 0 HJABRO O=C(NCCSc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039768381 558686244 /nfs/dbraw/zinc/68/62/44/558686244.db2.gz PNFVDGZXDARZBK-UHFFFAOYSA-N 1 0 406.954 4.600 40 0 HJABRO CCOc1cc(C[NH2+][C@@H](C)C(C)(C)C)ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000036612638 558728004 /nfs/dbraw/zinc/72/80/04/558728004.db2.gz SBADCTQNEPPYJN-OALUTQOASA-N 1 0 412.574 4.866 40 0 HJABRO CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000030753812 558736400 /nfs/dbraw/zinc/73/64/00/558736400.db2.gz VRZCLLQAXFYJOU-UHFFFAOYSA-N 1 0 407.558 4.701 40 0 HJABRO C[C@H](O)C[NH2+]Cc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000016576470 558796197 /nfs/dbraw/zinc/79/61/97/558796197.db2.gz UFJWAWLCPUUMFY-NSHDSACASA-N 1 0 419.146 4.805 40 0 HJABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccc(F)cc3)CC[C@H]21 ZINC000019081620 558839748 /nfs/dbraw/zinc/83/97/48/558839748.db2.gz FRXXGBMAZICIOK-NJDAHSKKSA-N 1 0 400.563 4.750 40 0 HJABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3ccccc3C(F)(F)F)C2)on1 ZINC000019120791 558843011 /nfs/dbraw/zinc/84/30/11/558843011.db2.gz AHGFYMMTQYXKFE-CQSZACIVSA-N 1 0 408.449 4.900 40 0 HJABRO Cc1cnccc1C[N@H+]1CCC[C@H](c2cc3nc(C(C)C)cc(C(F)(F)F)n3n2)C1 ZINC000019239518 558858085 /nfs/dbraw/zinc/85/80/85/558858085.db2.gz PNHAIGLWJIJXJO-KRWDZBQOSA-N 1 0 417.479 4.955 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019370350 558878383 /nfs/dbraw/zinc/87/83/83/558878383.db2.gz HVAAQCQXBXDJRA-PPJWLVRDSA-N 1 0 403.570 4.550 40 0 HJABRO O=C(c1cc2ccccc2nc1C1CC[NH+](Cc2ccccc2F)CC1)N1CCCC1 ZINC000019376243 558882373 /nfs/dbraw/zinc/88/23/73/558882373.db2.gz DXZIDXXPJPKRTI-UHFFFAOYSA-N 1 0 417.528 4.990 40 0 HJABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000019400838 558883447 /nfs/dbraw/zinc/88/34/47/558883447.db2.gz BGEFAILJKYOVOP-DEOSSOPVSA-N 1 0 421.491 4.743 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 ZINC000019533251 558913015 /nfs/dbraw/zinc/91/30/15/558913015.db2.gz ZMFCCOTVTNRFLK-OAQYLSRUSA-N 1 0 421.545 4.550 40 0 HJABRO COc1ccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4ccsc4)C[C@@H]32)cc1 ZINC000019557788 558919829 /nfs/dbraw/zinc/91/98/29/558919829.db2.gz OCMZQLZTVRFGDY-WXFUMESZSA-N 1 0 424.610 4.763 40 0 HJABRO COc1cccc([C@@H]2CN(C(=O)C3CCCC3)[C@H]3CC[N@H+](Cc4ccsc4)C[C@@H]23)c1 ZINC000019566163 558925942 /nfs/dbraw/zinc/92/59/42/558925942.db2.gz JXRXTVZJCMWCGM-HJOGWXRNSA-N 1 0 424.610 4.763 40 0 HJABRO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)n1 ZINC000072334722 558935881 /nfs/dbraw/zinc/93/58/81/558935881.db2.gz QNMYECPYXQZAPB-QGZVFWFLSA-N 1 0 422.916 4.609 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000072341437 558939731 /nfs/dbraw/zinc/93/97/31/558939731.db2.gz JUNUIEZXUONSIU-FPOVZHCZSA-N 1 0 409.530 4.666 40 0 HJABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352548 558948976 /nfs/dbraw/zinc/94/89/76/558948976.db2.gz UGMSADZRCSMSJC-GOSISDBHSA-N 1 0 416.550 4.536 40 0 HJABRO CC(=O)NCc1cnc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)cc1C(F)(F)F ZINC000072356137 558952879 /nfs/dbraw/zinc/95/28/79/558952879.db2.gz BNDXCMNTFQPYKJ-NRFANRHFSA-N 1 0 405.464 4.506 40 0 HJABRO CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@@H+]1Cc1ccnn1C ZINC000072370756 558957224 /nfs/dbraw/zinc/95/72/24/558957224.db2.gz PNUDHIHDLYTAGP-GOSISDBHSA-N 1 0 424.614 4.760 40 0 HJABRO Cc1nn(-c2ccccc2C)c(C)c1C[NH+]1CCC([C@]2(C)CCCCN(C)C2=O)CC1 ZINC000072371999 558959318 /nfs/dbraw/zinc/95/93/18/558959318.db2.gz PSJYNJCFGSXIHL-SANMLTNESA-N 1 0 422.617 4.658 40 0 HJABRO COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000019690450 558959997 /nfs/dbraw/zinc/95/99/97/558959997.db2.gz JTPSVZMECZYTQM-QFIPXVFZSA-N 1 0 406.505 4.694 40 0 HJABRO CCc1nnc(Nc2cccc([C@H]3CCC[N@H+](Cc4cccc(OC)c4)C3)n2)s1 ZINC000072375968 558965043 /nfs/dbraw/zinc/96/50/43/558965043.db2.gz ZVJCXTZJPVXVES-KRWDZBQOSA-N 1 0 409.559 4.627 40 0 HJABRO CCn1cc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c(C)n1 ZINC000072376627 558965846 /nfs/dbraw/zinc/96/58/46/558965846.db2.gz XWRKMKKEZIMVRC-OAQYLSRUSA-N 1 0 424.980 4.725 40 0 HJABRO CNc1ncccc1C[N@@H+]1CCCC[C@H]1c1nc(N)ncc1-c1cccc(Cl)c1 ZINC000072377244 558966548 /nfs/dbraw/zinc/96/65/48/558966548.db2.gz CVMMNLCYTPKAPS-IBGZPJMESA-N 1 0 408.937 4.543 40 0 HJABRO Cc1cc(C(=O)N[C@@H]2c3ccccc3[C@@H]3C[N@H+](Cc4ccc(C(C)C)cc4)C[C@@H]32)no1 ZINC000585109703 559029472 /nfs/dbraw/zinc/02/94/72/559029472.db2.gz JFCKETDWERGZNQ-SONWIMMPSA-N 1 0 415.537 4.807 40 0 HJABRO COc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NC4CCC4)c4ccccc43)CC2)cc1 ZINC000096052762 559092377 /nfs/dbraw/zinc/09/23/77/559092377.db2.gz VIGZRICNOOXBMD-OAQYLSRUSA-N 1 0 418.581 4.775 40 0 HJABRO COc1ccc(-c2cccc([C@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257223405 559283656 /nfs/dbraw/zinc/28/36/56/559283656.db2.gz DXFKPBUKQNVWJU-AREMUKBSSA-N 1 0 411.505 4.879 40 0 HJABRO COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCC4)C=C3C)nc2c1 ZINC000072320998 560077656 /nfs/dbraw/zinc/07/76/56/560077656.db2.gz FZZCXHLOYQRFJE-ZJOUEHCJSA-N 1 0 409.574 4.889 40 0 biogenic,in-vitro HJABRO CC[NH+](CC)CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231189 560602923 /nfs/dbraw/zinc/60/29/23/560602923.db2.gz VAMKWELWOBBHFI-UHFFFAOYSA-N 1 0 420.557 4.603 40 0 HJABRO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000409414570 560723318 /nfs/dbraw/zinc/72/33/18/560723318.db2.gz MUMOMJJBRFKSKD-YHFSLCLQSA-N 1 0 409.961 4.857 40 0 HJABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 ZINC000011948406 560775820 /nfs/dbraw/zinc/77/58/20/560775820.db2.gz PHRLEOJPYOUEKU-UHFFFAOYSA-N 1 0 409.917 4.994 40 0 HJABRO CC1(C)CC(N(Cc2ccncc2)Cc2cc3c(cc2Cl)OCO3)CC(C)(C)[NH2+]1 ZINC000013992707 560831662 /nfs/dbraw/zinc/83/16/62/560831662.db2.gz FWSOEXOABSFWBP-UHFFFAOYSA-N 1 0 415.965 4.775 40 0 HJABRO Cc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000020121607 560880855 /nfs/dbraw/zinc/88/08/55/560880855.db2.gz ZKCFCARIMYYOFO-XMMPIXPASA-N 1 0 422.621 4.526 40 0 HJABRO Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)n2)cc1 ZINC000219241456 568488255 /nfs/dbraw/zinc/48/82/55/568488255.db2.gz ONUZZISHNZVTER-LJQANCHMSA-N 1 0 418.541 4.549 40 0 HJABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000219239428 568488342 /nfs/dbraw/zinc/48/83/42/568488342.db2.gz IEYUBCLSROTVNP-GCJKJVERSA-N 1 0 410.558 4.817 40 0 HJABRO COc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCC[C@H](C)C4)ncc23)cc1C ZINC000057761857 568496934 /nfs/dbraw/zinc/49/69/34/568496934.db2.gz YVELKOSVTCBXGK-ITSWEJNFSA-N 1 0 406.574 4.600 40 0 HJABRO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@@H+]([C@@H](C)Cc4ccc(F)cc4)C3)cc2n1 ZINC000057774664 568497408 /nfs/dbraw/zinc/49/74/08/568497408.db2.gz CZBRAZBQHFURHJ-HOCLYGCPSA-N 1 0 420.454 4.870 40 0 HJABRO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000223555035 568551601 /nfs/dbraw/zinc/55/16/01/568551601.db2.gz CSTDJKSCTGLZMY-UHFFFAOYSA-N 1 0 422.956 4.900 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3ccc4ccccc4c3)CC2)c1 ZINC000223625371 568553722 /nfs/dbraw/zinc/55/37/22/568553722.db2.gz GCTDLETYUKXPGB-UHFFFAOYSA-N 1 0 402.538 4.555 40 0 HJABRO CC(C)c1ccccc1OCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000223826336 568560071 /nfs/dbraw/zinc/56/00/71/568560071.db2.gz CUSSSVWTAGNGAN-FQEVSTJZSA-N 1 0 414.977 4.871 40 0 HJABRO CC(C)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)s1 ZINC000223830618 568560192 /nfs/dbraw/zinc/56/01/92/568560192.db2.gz UXVVAKKZSAHRRK-UHFFFAOYSA-N 1 0 404.605 4.770 40 0 HJABRO Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224391853 568580015 /nfs/dbraw/zinc/58/00/15/568580015.db2.gz GHXUMOPQFCWOSF-FCHUYYIVSA-N 1 0 415.497 4.584 40 0 HJABRO COC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225640542 568659148 /nfs/dbraw/zinc/65/91/48/568659148.db2.gz RSVIQMZCZKDQAI-NCMKUFGYSA-N 1 0 402.579 4.577 40 0 HJABRO CCCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225663828 568661575 /nfs/dbraw/zinc/66/15/75/568661575.db2.gz FVDBOKQMDKGUGZ-RDPSFJRHSA-N 1 0 402.579 4.865 40 0 HJABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@H](C)C1 ZINC000225663855 568661660 /nfs/dbraw/zinc/66/16/60/568661660.db2.gz FVDBOKQMDKGUGZ-GBXCKJPGSA-N 1 0 402.579 4.865 40 0 HJABRO COc1ccccc1[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000225670397 568662477 /nfs/dbraw/zinc/66/24/77/568662477.db2.gz MLHLWPUIJVPTBQ-IBGZPJMESA-N 1 0 400.522 4.745 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225715060 568666979 /nfs/dbraw/zinc/66/69/79/568666979.db2.gz GMQQFSBSJNCBED-YKSBVNFPSA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816840 568740195 /nfs/dbraw/zinc/74/01/95/568740195.db2.gz QZYRBDFGIZBLAJ-RDPSFJRHSA-N 1 0 404.595 4.967 40 0 HJABRO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2cnc(C(C)C)nc2)C1 ZINC000257216745 568781014 /nfs/dbraw/zinc/78/10/14/568781014.db2.gz CVWVFQBLLQIQDR-GOSISDBHSA-N 1 0 422.598 4.942 40 0 HJABRO O=C(/C=C/c1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000257302616 568805005 /nfs/dbraw/zinc/80/50/05/568805005.db2.gz SDOKZHSLGWDMED-CNPKUOIJSA-N 1 0 400.566 4.993 40 0 HJABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)c2ncccc21 ZINC000306136826 568898623 /nfs/dbraw/zinc/89/86/23/568898623.db2.gz QEMAVTSWHAIFMT-QFIPXVFZSA-N 1 0 409.942 4.601 40 0 HJABRO Fc1ccc(-c2ccc([C@H]3CC[NH2+]C[C@H]3COc3ccc4c(c3)OCO4)cc2)cc1 ZINC000012648297 568992309 /nfs/dbraw/zinc/99/23/09/568992309.db2.gz KGCNJTDZPZEYEM-NZQKXSOJSA-N 1 0 405.469 4.994 40 0 HJABRO Cc1ccccc1C[N@H+]1CCC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000057775221 569053702 /nfs/dbraw/zinc/05/37/02/569053702.db2.gz WJPKVEDRSGHVDO-SANMLTNESA-N 1 0 417.553 4.563 40 0 HJABRO CNC(=O)C1(Cc2ccccc2-c2cccnc2)CC[NH+](CC2CCCCC2)CC1 ZINC000019700165 569347172 /nfs/dbraw/zinc/34/71/72/569347172.db2.gz AHRMSKXCKJRMEV-UHFFFAOYSA-N 1 0 405.586 4.700 40 0 HJABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000019702126 569347447 /nfs/dbraw/zinc/34/74/47/569347447.db2.gz DQNZFHOJBKTQII-QGZVFWFLSA-N 1 0 416.550 4.536 40 0 HJABRO Cc1nc([C@]2(O)CCC[N@@H+](C3CCCC3)CC2)sc1COc1ccc(F)c(F)c1 ZINC000019705243 569347906 /nfs/dbraw/zinc/34/79/06/569347906.db2.gz RJMVGMWVBYADFM-QFIPXVFZSA-N 1 0 422.541 4.925 40 0 HJABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3ccc(N)nc3)cc2)C1 ZINC000019711856 569348270 /nfs/dbraw/zinc/34/82/70/569348270.db2.gz UPIZIDBSISADDQ-VSKRKVRLSA-N 1 0 410.562 4.503 40 0 HJABRO COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3[N@@H+]2Cc2c(C)cc(OC)c(C)c2C)cc1 ZINC000019713935 569348509 /nfs/dbraw/zinc/34/85/09/569348509.db2.gz LWMGUXUUGBZZLR-RBZQAINGSA-N 1 0 422.569 4.613 40 0 HJABRO Cc1cccc2c(C(=O)N[C@@H](C)CC[NH+]3CCCCCC3)cc(-c3ccccn3)nc12 ZINC000141551752 569354781 /nfs/dbraw/zinc/35/47/81/569354781.db2.gz HHQMVRKQUVHWBE-FQEVSTJZSA-N 1 0 416.569 4.990 40 0 HJABRO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@H](O)CC[C@]54C)[C@@H]3C[N@@H+]2C1 ZINC000070673062 569413159 /nfs/dbraw/zinc/41/31/59/569413159.db2.gz NEMWYOKGHGSVSC-XORHUKHMSA-N 1 0 415.662 4.563 40 0 biogenic HJABRO O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cnc3ccccc3c2)C1 ZINC000020503551 575370218 /nfs/dbraw/zinc/37/02/18/575370218.db2.gz UNJPHXSXSWRKKF-NZQKXSOJSA-N 1 0 407.517 4.683 40 0 biogenic,in-vitro HJABRO C[C@@H]1[C@@H]2CC[C@@H]3[C@@H](C[C@H]4[C@H]3C[C@@H](O)[C@H]3C[C@@H](O)CC[C@]43C)[C@@H]2C[N@@H+]2C[C@@H](C)CC[C@@H]12 ZINC000100038283 291278786 /nfs/dbraw/zinc/27/87/86/291278786.db2.gz NEMWYOKGHGSVSC-MSSYMPDSSA-N 1 0 415.662 4.563 40 0 biogenic,in-vitro HJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225689376 520456825 /nfs/dbraw/zinc/45/68/25/520456825.db2.gz JTXRALHNYLETBB-DEOSSOPVSA-N 1 0 404.595 4.967 40 0 HJABRO CCOc1ccccc1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044909858 521471543 /nfs/dbraw/zinc/47/15/43/521471543.db2.gz TZQNKLKRYVAMRI-OAQYLSRUSA-N 1 0 414.977 4.700 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCCCC1 ZINC000225709263 521634097 /nfs/dbraw/zinc/63/40/97/521634097.db2.gz HITIMQYROAGYIV-WOJBJXKFSA-N 1 0 402.579 4.721 40 0 HJABRO COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044937205 525348046 /nfs/dbraw/zinc/34/80/46/525348046.db2.gz XSQROISHEKNCPW-QPPBQGQZSA-N 1 0 412.549 4.950 40 0 HJABRO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccc(F)cc3)CC1)CC(C)(C)O2 ZINC000044855246 526178961 /nfs/dbraw/zinc/17/89/61/526178961.db2.gz GLRHQTUKNROOSV-QFIPXVFZSA-N 1 0 410.533 4.765 40 0 HJABRO CC1(C)O[C@@](C)(C[NH+]2CCCC2)CC[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000005432559 557653321 /nfs/dbraw/zinc/65/33/21/557653321.db2.gz PJBOSXAOCVTWGX-YIXXDRMTSA-N 1 0 420.597 4.747 40 0 HJABRO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)Nc2cccc3ccccc32)cc1 ZINC000006462828 557703824 /nfs/dbraw/zinc/70/38/24/557703824.db2.gz VZHUYPFXVQEJPE-UHFFFAOYSA-N 1 0 405.498 4.982 40 0 HJABRO Fc1ccc(-c2nc3c4ccccc4nc(SCC[NH+]4CCCCC4)n3n2)cc1 ZINC000010157694 557856711 /nfs/dbraw/zinc/85/67/11/557856711.db2.gz NXLHGNLEKCIVBX-UHFFFAOYSA-N 1 0 407.518 4.662 40 0 HJABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753208 558272437 /nfs/dbraw/zinc/27/24/37/558272437.db2.gz WKAIHQIWLPZFJI-GOSISDBHSA-N 1 0 406.917 4.680 40 0 HJABRO Cc1nc(C2CC[NH+](CCCc3ccccc3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764239 558277904 /nfs/dbraw/zinc/27/79/04/558277904.db2.gz CFESLVGXARBDOU-UHFFFAOYSA-N 1 0 414.553 4.850 40 0 HJABRO COc1ccc2c(c1)NC1(CC[NH+](CCCOc3ccccc3)CC1)c1cccn1-2 ZINC000012113298 558326851 /nfs/dbraw/zinc/32/68/51/558326851.db2.gz OYVRMXCXMMOIKM-UHFFFAOYSA-N 1 0 403.526 4.672 40 0 HJABRO Cc1nc(C2CC[NH+](Cc3cc(C)c(O)c(C)c3)CC2)sc1-c1ccnc(C)n1 ZINC000012186141 558345445 /nfs/dbraw/zinc/34/54/45/558345445.db2.gz ZWLSVIMAUQXXDW-UHFFFAOYSA-N 1 0 408.571 4.919 40 0 HJABRO Cc1noc(C)c1C(=O)NC1CC[NH+](C[C@@H](c2ccccc2)C2CCCCC2)CC1 ZINC000012188805 558347315 /nfs/dbraw/zinc/34/73/15/558347315.db2.gz STUVSDTVCCQCTD-QHCPKHFHSA-N 1 0 409.574 4.850 40 0 HJABRO Cc1ccc2c(c1)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000012293638 558367093 /nfs/dbraw/zinc/36/70/93/558367093.db2.gz NPNNXCGYPNRXQH-UXHICEINSA-N 1 0 422.352 4.686 40 0 HJABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020495792 558380447 /nfs/dbraw/zinc/38/04/47/558380447.db2.gz RFHJGCFYKLXJTM-LJQANCHMSA-N 1 0 407.558 4.699 40 0 HJABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000022074782 558462483 /nfs/dbraw/zinc/46/24/83/558462483.db2.gz LUVUUVGREHCYLJ-OAQYLSRUSA-N 1 0 415.892 4.890 40 0 HJABRO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OCC ZINC000039763683 558685776 /nfs/dbraw/zinc/68/57/76/558685776.db2.gz DTLWROKSKAOXTQ-FQEVSTJZSA-N 1 0 424.585 4.882 40 0 HJABRO O=C(NCCSCc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038837426 558818152 /nfs/dbraw/zinc/81/81/52/558818152.db2.gz RLKUDEIDOWBVKO-GOSISDBHSA-N 1 0 420.981 4.741 40 0 HJABRO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000019452093 558889968 /nfs/dbraw/zinc/88/99/68/558889968.db2.gz NZECHMPIQYPGTM-OAHLLOKOSA-N 1 0 409.452 4.891 40 0 HJABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccc(Cl)cc4)C3)no2)CC1 ZINC000019496738 558895669 /nfs/dbraw/zinc/89/56/69/558895669.db2.gz AGNLYCBCNYXFKH-GOSISDBHSA-N 1 0 401.938 4.580 40 0 HJABRO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4ccncc4C)C3)cc2N1 ZINC000019500878 558898845 /nfs/dbraw/zinc/89/88/45/558898845.db2.gz RWCYJNURQPBREZ-ZHALLVOQSA-N 1 0 407.484 4.664 40 0 HJABRO COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)c(OC)c1 ZINC000019552508 558915987 /nfs/dbraw/zinc/91/59/87/558915987.db2.gz AEKOGIUFGYHPBF-RBUKOAKNSA-N 1 0 413.468 4.748 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000072330410 558934455 /nfs/dbraw/zinc/93/44/55/558934455.db2.gz KRJQTASYDODNQU-CVDCTZTESA-N 1 0 421.566 4.535 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072330461 558934892 /nfs/dbraw/zinc/93/48/92/558934892.db2.gz RUFPBGWSYMMBBG-NVQXNPDNSA-N 1 0 417.528 4.533 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000072341438 558939699 /nfs/dbraw/zinc/93/96/99/558939699.db2.gz RRXVUHBFJQNFRY-CTNGQTDRSA-N 1 0 409.530 4.666 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1CO ZINC000072353204 558949885 /nfs/dbraw/zinc/94/98/85/558949885.db2.gz SBXGEVZEQWFCDI-HSZRJFAPSA-N 1 0 418.541 4.757 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c1C ZINC000019687436 558957283 /nfs/dbraw/zinc/95/72/83/558957283.db2.gz JTNCHDMFSWPXBR-NRFANRHFSA-N 1 0 424.980 4.725 40 0 HJABRO COc1ccccc1OCCc1cc([C@H]2CC[N@H+](C/C(C)=C/c3ccccc3)C2)[nH]n1 ZINC000072371557 558958337 /nfs/dbraw/zinc/95/83/37/558958337.db2.gz CTKUNJVSUCVAOV-PTMWEUFISA-N 1 0 417.553 4.933 40 0 HJABRO Fc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4ccnc5ccccc45)C3)[nH]n2)cc1 ZINC000072371551 558958416 /nfs/dbraw/zinc/95/84/16/558958416.db2.gz IOZBWZLCSISFHB-IBGZPJMESA-N 1 0 416.500 4.708 40 0 HJABRO Cn1nccc1C[N@@H+]1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019690291 558959647 /nfs/dbraw/zinc/95/96/47/558959647.db2.gz VXRFISBFLUQLCQ-IBGZPJMESA-N 1 0 414.475 4.804 40 0 HJABRO COc1cccc(C(=O)N2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)c1 ZINC000072374826 558962630 /nfs/dbraw/zinc/96/26/30/558962630.db2.gz DMDHBJCZIGMUAD-FQEVSTJZSA-N 1 0 416.525 4.865 40 0 HJABRO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@@H+]4C4CCCC4)nc32)cc1 ZINC000019695871 558964318 /nfs/dbraw/zinc/96/43/18/558964318.db2.gz YDGZLFMAPJXDAY-QFIPXVFZSA-N 1 0 404.558 4.652 40 0 HJABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695978 558964383 /nfs/dbraw/zinc/96/43/83/558964383.db2.gz DVBCTQCXUJULHE-QHCPKHFHSA-N 1 0 418.585 4.777 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)c2cc(F)ccc21 ZINC000072375751 558964594 /nfs/dbraw/zinc/96/45/94/558964594.db2.gz IYRWMIWPMHDKCN-OAQYLSRUSA-N 1 0 402.477 4.583 40 0 HJABRO CC(C)n1cc(C[N@@H+]2CCC[C@H](c3ccc(C(=O)N(C)C)cn3)C2)c2ccccc21 ZINC000019705638 558967946 /nfs/dbraw/zinc/96/79/46/558967946.db2.gz RVWBLVGQXNNYPD-FQEVSTJZSA-N 1 0 404.558 4.699 40 0 HJABRO CC(=O)NC1(c2ccccc2)CC[NH+](Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393715 558973017 /nfs/dbraw/zinc/97/30/17/558973017.db2.gz TUMBEHDSXMNUII-UHFFFAOYSA-N 1 0 416.569 4.848 40 0 HJABRO Cc1nccn1C[C@H]1CCC[N@H+](Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715786 558976939 /nfs/dbraw/zinc/97/69/39/558976939.db2.gz BGOCFRHOGMYJJV-KRWDZBQOSA-N 1 0 409.534 4.619 40 0 HJABRO CC(C)(NC(=O)c1c(F)cccc1NCC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC000066089360 558983525 /nfs/dbraw/zinc/98/35/25/558983525.db2.gz ABHWPMLJFHFMEQ-UHFFFAOYSA-N 1 0 401.501 4.528 40 0 HJABRO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)CC1 ZINC000585100698 559024300 /nfs/dbraw/zinc/02/43/00/559024300.db2.gz UAELQSIFZORRLI-DEOSSOPVSA-N 1 0 416.487 4.694 40 0 HJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21)NC1CCC1 ZINC000096052759 559092401 /nfs/dbraw/zinc/09/24/01/559092401.db2.gz YBTZLPNSMDYYPR-HXUWFJFHSA-N 1 0 406.545 4.906 40 0 HJABRO CC(C)CNC(=O)C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053506 559093521 /nfs/dbraw/zinc/09/35/21/559093521.db2.gz WEXYPFDKBCLEEM-LJQANCHMSA-N 1 0 412.599 4.811 40 0 HJABRO CCCc1ncc(C[NH+]2CCC(Cc3cccc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585263485 559111872 /nfs/dbraw/zinc/11/18/72/559111872.db2.gz MPOVKNZXMOPWRV-UHFFFAOYSA-N 1 0 422.602 4.787 40 0 HJABRO O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCC[N@H+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000585270092 559116318 /nfs/dbraw/zinc/11/63/18/559116318.db2.gz DXBQVEBDQVGMKV-NRFANRHFSA-N 1 0 420.340 4.666 40 0 HJABRO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@@H+]([C@H]3CC[C@H](c4ccccc4)CC3)CC[C@@H]2O)c1 ZINC000585287563 559123118 /nfs/dbraw/zinc/12/31/18/559123118.db2.gz OKOOJNQWAPNQRQ-DROSFRCNSA-N 1 0 423.597 4.515 40 0 HJABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)[nH+]1 ZINC000585292698 559124325 /nfs/dbraw/zinc/12/43/25/559124325.db2.gz RCGKQJAKJCJVPP-YXBWYFRISA-N 1 0 402.498 4.849 40 0 HJABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)[nH+]1 ZINC000585292764 559124421 /nfs/dbraw/zinc/12/44/21/559124421.db2.gz NRNVFIYGRCXLFM-LCCNJJIFSA-N 1 0 413.525 4.651 40 0 HJABRO NC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000072345262 559181458 /nfs/dbraw/zinc/18/14/58/559181458.db2.gz DVWZOVZIHLFDCJ-UHFFFAOYSA-N 1 0 419.956 4.712 40 0 HJABRO C[C@@]1([NH+]2CCCCC2)[C@@H](O)c2cc(Br)ccc2O[C@H]1c1ccccc1 ZINC000005531084 560737916 /nfs/dbraw/zinc/73/79/16/560737916.db2.gz PDCAUFHRAKNQNX-PCCBWWKXSA-N 1 0 402.332 4.861 40 0 HJABRO CCC[N@@H+]1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3Cl)s2)CC1 ZINC000019705439 560849591 /nfs/dbraw/zinc/84/95/91/560849591.db2.gz LBRJEIZTYULPJM-OAQYLSRUSA-N 1 0 408.995 4.810 40 0 HJABRO CCOc1ccc(C(=O)CN(c2ccc3c(c2)OCCO3)C2=NCCCCC2)cc1 ZINC000006870319 568462914 /nfs/dbraw/zinc/46/29/14/568462914.db2.gz JMSIJTSRHSUQJP-UHFFFAOYSA-N 1 0 408.498 4.518 40 0 HJABRO Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)n2)c1 ZINC000219241352 568488390 /nfs/dbraw/zinc/48/83/90/568488390.db2.gz IKOABMAOSVZAPD-IBGZPJMESA-N 1 0 418.541 4.549 40 0 HJABRO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219964411 568500503 /nfs/dbraw/zinc/50/05/03/568500503.db2.gz MZNMKIUGWOJLAH-UHFFFAOYSA-N 1 0 424.932 4.696 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCOc3ccc4ccccc4c3)CC2)cc1 ZINC000223625434 568553716 /nfs/dbraw/zinc/55/37/16/568553716.db2.gz ZQKQZIJNYNDRAO-UHFFFAOYSA-N 1 0 402.538 4.555 40 0 HJABRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000223954369 568564360 /nfs/dbraw/zinc/56/43/60/568564360.db2.gz WWPGPFWGIMSAPJ-LJQANCHMSA-N 1 0 410.558 4.997 40 0 HJABRO Cc1ccc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000224181082 568572808 /nfs/dbraw/zinc/57/28/08/568572808.db2.gz GNMKGWOGKPEPTB-SFHVURJKSA-N 1 0 421.368 4.709 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCC1 ZINC000225657114 568660771 /nfs/dbraw/zinc/66/07/71/568660771.db2.gz KSEANVLOFORWCB-HXUWFJFHSA-N 1 0 402.579 4.865 40 0 HJABRO CCCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC[C@@H](C)C1 ZINC000225663798 568661635 /nfs/dbraw/zinc/66/16/35/568661635.db2.gz FVDBOKQMDKGUGZ-HYBUGGRVSA-N 1 0 402.579 4.865 40 0 HJABRO C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)[C@H]1O ZINC000257211100 568779446 /nfs/dbraw/zinc/77/94/46/568779446.db2.gz BXMQXSOIRFRAAB-QKDODKLFSA-N 1 0 400.566 4.713 40 0 HJABRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257232710 568785610 /nfs/dbraw/zinc/78/56/10/568785610.db2.gz GMAYUVIQNVJRJU-AVRDEDQJSA-N 1 0 401.551 4.737 40 0 HJABRO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@H+](Cc3ccc(C(C)C)cc3)C2)nc1C ZINC000257236625 568786748 /nfs/dbraw/zinc/78/67/48/568786748.db2.gz HCZWPYRIUGRWDZ-QHCPKHFHSA-N 1 0 422.617 4.617 40 0 HJABRO CSc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257236749 568786779 /nfs/dbraw/zinc/78/67/79/568786779.db2.gz HDPDVTJHWGSFQU-GOSISDBHSA-N 1 0 413.587 4.839 40 0 HJABRO Cc1nc(-c2ccccc2F)sc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@@H+]2C ZINC000257281950 568799158 /nfs/dbraw/zinc/79/91/58/568799158.db2.gz ORQRDSQNOKPADE-RTNRFSENSA-N 1 0 413.562 4.735 40 0 HJABRO Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@H+](C)[C@@H]3Cc2ccccc2)s1 ZINC000257287504 568800822 /nfs/dbraw/zinc/80/08/22/568800822.db2.gz PQGMMKCLJOAQEH-YLYPHGCXSA-N 1 0 423.626 4.849 40 0 HJABRO Cc1nc(C)c(C(=O)N2[C@@H]3CCCC[C@@H]4[NH2+][C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)s1 ZINC000257305747 568806343 /nfs/dbraw/zinc/80/63/43/568806343.db2.gz SRIHSYVUQGUWLC-ROLQDKDTSA-N 1 0 409.599 4.506 40 0 HJABRO CCCCNc1cc(C2CC[NH+](Cc3ccccc3F)CC2)nc(-c2cnccn2)n1 ZINC000257320620 568810628 /nfs/dbraw/zinc/81/06/28/568810628.db2.gz VXOYOFBXZOYOCE-UHFFFAOYSA-N 1 0 420.536 4.664 40 0 HJABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 ZINC000257341747 568816648 /nfs/dbraw/zinc/81/66/48/568816648.db2.gz ZLUZWCZNQIWZFY-IBGZPJMESA-N 1 0 415.965 4.501 40 0 HJABRO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+](CCO)Cc2ccccc2)cc1 ZINC000026780405 568831302 /nfs/dbraw/zinc/83/13/02/568831302.db2.gz RXSZNNUEYOEETB-QHCPKHFHSA-N 1 0 413.602 4.635 40 0 HJABRO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@H+](C)C[C@H](C)c2ccccc2)C1 ZINC000248126886 569316421 /nfs/dbraw/zinc/31/64/21/569316421.db2.gz PAQLLIFNTBUBHQ-FPOVZHCZSA-N 1 0 418.585 4.914 40 0 HJABRO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009062690 569342256 /nfs/dbraw/zinc/34/22/56/569342256.db2.gz XVVGAVHIQNWWCD-UHFFFAOYSA-N 1 0 414.977 4.700 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000012183399 569344692 /nfs/dbraw/zinc/34/46/92/569344692.db2.gz MHLJWTHDLJMNJQ-RBBKRZOGSA-N 1 0 421.566 4.535 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CCCC1 ZINC000012408176 569344783 /nfs/dbraw/zinc/34/47/83/569344783.db2.gz BJZPMXNUCFTXNP-UYAOXDASSA-N 1 0 401.551 4.542 40 0 HJABRO CCn1ccc(C(=O)Nc2ccc([C@@H]3C[C@H]([NH+](CC)CC)C[C@H](C(C)C)O3)cc2)n1 ZINC000019711861 569348285 /nfs/dbraw/zinc/34/82/85/569348285.db2.gz OELYRYKVDARXPH-MZYLBHOOSA-N 1 0 412.578 4.742 40 0 HJABRO CC[NH+](CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3n[nH]c4c3CCCCCC4)c2)C1 ZINC000019712217 569348347 /nfs/dbraw/zinc/34/83/47/569348347.db2.gz ALJMJJJWRTUXFH-OFNKIYASSA-N 1 0 424.589 4.883 40 0 HJABRO Cc1cc(C)cc(NC(=O)c2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000020241795 569349576 /nfs/dbraw/zinc/34/95/76/569349576.db2.gz PRLGPCKYTNDALC-UHFFFAOYSA-N 1 0 413.565 4.874 40 0 HJABRO CC(C)(C)[C@H]1CCc2onc(C(=O)NC3(C[NH+]4CCCCC4)CCCCC3)c2C1 ZINC000141545079 569354591 /nfs/dbraw/zinc/35/45/91/569354591.db2.gz VILZYWKVUKDHEM-SFHVURJKSA-N 1 0 401.595 4.744 40 0 HJABRO CC(C)Oc1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044932165 519779526 /nfs/dbraw/zinc/77/95/26/519779526.db2.gz NJPUMDCCHBCZBP-HXUWFJFHSA-N 1 0 400.950 4.656 40 0 HJABRO CCOc1ccccc1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044909862 521471898 /nfs/dbraw/zinc/47/18/98/521471898.db2.gz TZQNKLKRYVAMRI-NRFANRHFSA-N 1 0 414.977 4.700 40 0 HJABRO Cc1cc(C)c(-n2cccn2)c(C[N@H+](CCCn2ccnc2)Cc2ccccc2F)c1 ZINC000043277856 524210869 /nfs/dbraw/zinc/21/08/69/524210869.db2.gz BATDHCVGCCUCSN-UHFFFAOYSA-N 1 0 417.532 4.917 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)c1 ZINC000044855223 524387335 /nfs/dbraw/zinc/38/73/35/524387335.db2.gz VFNCRMDPGCTCTQ-HSZRJFAPSA-N 1 0 406.570 4.934 40 0 HJABRO COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044937208 525175544 /nfs/dbraw/zinc/17/55/44/525175544.db2.gz XSQROISHEKNCPW-ZJSXRUAMSA-N 1 0 412.549 4.950 40 0 HJABRO Cc1cc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(C)c1Cl ZINC000044872174 525378173 /nfs/dbraw/zinc/37/81/73/525378173.db2.gz IXMPYYNTRGLCOW-SFHVURJKSA-N 1 0 400.950 4.636 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000044855659 525552866 /nfs/dbraw/zinc/55/28/66/525552866.db2.gz SLSYJSQDVDFIKP-HSZRJFAPSA-N 1 0 422.569 4.634 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000044855661 525552910 /nfs/dbraw/zinc/55/29/10/525552910.db2.gz MSCSMKNBPYHTDM-HSZRJFAPSA-N 1 0 422.569 4.634 40 0 HJABRO O=C(NCCCc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044906211 526279561 /nfs/dbraw/zinc/27/95/61/526279561.db2.gz OYXNKJDAHDWVSZ-IBGZPJMESA-N 1 0 405.369 4.954 40 0 HJABRO O=C(NCCSCc1ccccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044909024 526373908 /nfs/dbraw/zinc/37/39/08/526373908.db2.gz CHOKABHCBDHLEY-GOSISDBHSA-N 1 0 420.981 4.741 40 0 HJABRO Cc1nc([C@@H]2CCC[N@@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019755511 558274019 /nfs/dbraw/zinc/27/40/19/558274019.db2.gz WFFLOHGXVQWMJY-QFIPXVFZSA-N 1 0 404.489 4.556 40 0 HJABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccc3cccc(Cl)c3n2)CC1 ZINC000012219481 558355039 /nfs/dbraw/zinc/35/50/39/558355039.db2.gz QPMNMHXSFJWGLD-UHFFFAOYSA-N 1 0 411.908 4.655 40 0 HJABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000012329395 558384048 /nfs/dbraw/zinc/38/40/48/558384048.db2.gz XSZJQOXYYOOJBR-RPBOFIJWSA-N 1 0 415.533 4.738 40 0 HJABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 ZINC000012329864 558384788 /nfs/dbraw/zinc/38/47/88/558384788.db2.gz JPDYXERKSBHLFN-XZOQPEGZSA-N 1 0 423.940 4.877 40 0 HJABRO CCOc1cc(C[NH2+]CCc2ccc(OC)cc2)cc(Br)c1OCC ZINC000022074650 558462500 /nfs/dbraw/zinc/46/25/00/558462500.db2.gz NZEFSJNOFVWOKN-UHFFFAOYSA-N 1 0 408.336 4.587 40 0 HJABRO COc1cc(C[NH2+]C[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022075772 558462664 /nfs/dbraw/zinc/46/26/64/558462664.db2.gz YYNVTURTKYILPY-OAQYLSRUSA-N 1 0 415.892 4.890 40 0 HJABRO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 ZINC000022525194 558495587 /nfs/dbraw/zinc/49/55/87/558495587.db2.gz VCRCJCJAVPMKOY-XMMPIXPASA-N 1 0 405.586 4.634 40 0 HJABRO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039773209 558686544 /nfs/dbraw/zinc/68/65/44/558686544.db2.gz NBEBRVREAPQUOQ-UHFFFAOYSA-N 1 0 400.950 4.656 40 0 HJABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000035083546 558788313 /nfs/dbraw/zinc/78/83/13/558788313.db2.gz WWJTXTCUTDBECO-QMBPOEKNSA-N 1 0 423.041 4.609 40 0 HJABRO COc1ccccc1C[N@H+](CCCn1ccnc1)Cc1cn(C)c2ccc(F)cc12 ZINC000036740345 558801559 /nfs/dbraw/zinc/80/15/59/558801559.db2.gz PMIZRVWBDCIXCV-UHFFFAOYSA-N 1 0 406.505 4.615 40 0 HJABRO CC(=O)n1cc(C[N@H+](CCCn2ccnc2)Cc2ccc(C)s2)c2ccccc21 ZINC000036740417 558801685 /nfs/dbraw/zinc/80/16/85/558801685.db2.gz BLZIFHBEPZKZHK-UHFFFAOYSA-N 1 0 406.555 4.960 40 0 HJABRO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833989 558817371 /nfs/dbraw/zinc/81/73/71/558817371.db2.gz HAEUJBQDCAAIPQ-OAHLLOKOSA-N 1 0 407.739 4.953 40 0 HJABRO CC(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(-c3cccc(F)c3)c2)CC1 ZINC000019020580 558837736 /nfs/dbraw/zinc/83/77/36/558837736.db2.gz OFTAUEYQPWSECK-AREMUKBSSA-N 1 0 417.528 4.977 40 0 HJABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000019021136 558837847 /nfs/dbraw/zinc/83/78/47/558837847.db2.gz ASXFVFZPRJYOAX-UHFFFAOYSA-N 1 0 410.533 4.775 40 0 HJABRO COc1cccc([C@H]2CN(C(=O)C(C)(C)C)[C@@H]3CC[N@H+](Cc4ccsc4)C[C@@H]32)c1 ZINC000019081665 558839828 /nfs/dbraw/zinc/83/98/28/558839828.db2.gz IHGIQPCOSJWUCV-YPAWHYETSA-N 1 0 412.599 4.619 40 0 HJABRO COc1ccc(C)cc1C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1 ZINC000019133332 558845756 /nfs/dbraw/zinc/84/57/56/558845756.db2.gz NCXXANOICHALHA-FQEVSTJZSA-N 1 0 415.603 4.576 40 0 HJABRO OC1(c2ccc(C(F)(F)F)cc2)CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000019343902 558872573 /nfs/dbraw/zinc/87/25/73/558872573.db2.gz FIFHRIKSVJQHOZ-UHFFFAOYSA-N 1 0 407.461 4.641 40 0 HJABRO O[C@@]1(c2ccccn2)CC[C@H]2C[N@H+](Cc3ccccc3OCc3cccc(F)c3)C[C@H]21 ZINC000019349442 558875215 /nfs/dbraw/zinc/87/52/15/558875215.db2.gz ZQNNSGCMLTTXQQ-CLLDFNAGSA-N 1 0 418.512 4.529 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000019400598 558883139 /nfs/dbraw/zinc/88/31/39/558883139.db2.gz MIDQHRPLLIVPRJ-XMSQKQJNSA-N 1 0 409.530 4.666 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000019400466 558883155 /nfs/dbraw/zinc/88/31/55/558883155.db2.gz QOWLDWRIHCBQLS-LEEZEASISA-N 1 0 407.533 4.760 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449631 558888313 /nfs/dbraw/zinc/88/83/13/558888313.db2.gz WEUOTDIIIKOIMM-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@@H+]2C1 ZINC000070707863 558893321 /nfs/dbraw/zinc/89/33/21/558893321.db2.gz NEMWYOKGHGSVSC-PKZDXRACSA-N 1 0 415.662 4.563 40 0 HJABRO CCOc1ccc(C[NH+]2CCC(c3nnsc3-c3onc(C)c3CC)CC2)cc1 ZINC000019521798 558902824 /nfs/dbraw/zinc/90/28/24/558902824.db2.gz NFZSKMZMTLBKAS-UHFFFAOYSA-N 1 0 412.559 4.842 40 0 HJABRO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019529146 558910826 /nfs/dbraw/zinc/91/08/26/558910826.db2.gz QICLAFUWDZIEMD-RUZDIDTESA-N 1 0 419.594 4.689 40 0 HJABRO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000019551196 558915310 /nfs/dbraw/zinc/91/53/10/558915310.db2.gz UNYKOJHHYVKMAP-DYESRHJHSA-N 1 0 401.553 4.508 40 0 HJABRO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH+](Cc4ccccn4)CC3)c12 ZINC000019554583 558917538 /nfs/dbraw/zinc/91/75/38/558917538.db2.gz UVGSQCLJWYTONP-UHFFFAOYSA-N 1 0 405.546 4.602 40 0 HJABRO COc1cccc(C[NH+]2CCC([C@@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)c1 ZINC000019564839 558924871 /nfs/dbraw/zinc/92/48/71/558924871.db2.gz BKWCKBGCVMUCTN-AREMUKBSSA-N 1 0 421.585 4.740 40 0 HJABRO COc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)c1OC ZINC000019568088 558927334 /nfs/dbraw/zinc/92/73/34/558927334.db2.gz CTGZXXDWIYVJST-ZWKOTPCHSA-N 1 0 413.468 4.748 40 0 HJABRO COc1ccccc1C[NH+]1CCC([C@@H](NC(=O)c2cccs2)c2ccccn2)CC1 ZINC000019570114 558928989 /nfs/dbraw/zinc/92/89/89/558928989.db2.gz OZDLDOSNHMVPSK-HSZRJFAPSA-N 1 0 421.566 4.535 40 0 HJABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072345979 558942756 /nfs/dbraw/zinc/94/27/56/558942756.db2.gz DBMJXASZWKXEMT-MRXNPFEDSA-N 1 0 413.447 4.519 40 0 HJABRO CC(C)n1c(C[N@@H+]2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)nc2ccccc21 ZINC000019688268 558957711 /nfs/dbraw/zinc/95/77/11/558957711.db2.gz DIOOYBUCQGCERV-FQEVSTJZSA-N 1 0 414.557 4.792 40 0 HJABRO CC(C)n1c(C[N@@H+]2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)nc2ccccc21 ZINC000019688266 558957747 /nfs/dbraw/zinc/95/77/47/558957747.db2.gz DIOOYBUCQGCERV-HXUWFJFHSA-N 1 0 414.557 4.792 40 0 HJABRO COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000019690451 558960003 /nfs/dbraw/zinc/96/00/03/558960003.db2.gz JTPSVZMECZYTQM-JOCHJYFZSA-N 1 0 406.505 4.694 40 0 HJABRO C[C@@H]1Cc2cc(C[N@@H+]3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2O1 ZINC000072398622 558976262 /nfs/dbraw/zinc/97/62/62/558976262.db2.gz SWRULZWHTDBBPH-WWEVIYMKSA-N 1 0 421.585 4.521 40 0 HJABRO Cc1ccnc(Nc2cc([C@@H]3CCC[N@H+](Cc4ccc(F)c(F)c4)C3)nc(C)n2)c1 ZINC000585169385 559068032 /nfs/dbraw/zinc/06/80/32/559068032.db2.gz HOKDXDXBHZQWFB-GOSISDBHSA-N 1 0 409.484 4.890 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc2O3)o1 ZINC000096053387 559093315 /nfs/dbraw/zinc/09/33/15/559093315.db2.gz CZFOEZFDKSWFNF-IBGZPJMESA-N 1 0 408.542 4.548 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NCC(C)C)c2ccccc2O3)o1 ZINC000096053516 559093565 /nfs/dbraw/zinc/09/35/65/559093565.db2.gz WANOWQFZGTVXDR-FQEVSTJZSA-N 1 0 410.558 4.651 40 0 HJABRO C[N@@H+]1CCCN(C(=O)c2cc(-c3csc(-c4cccs4)n3)n3ccccc23)CC1 ZINC000096154890 559099159 /nfs/dbraw/zinc/09/91/59/559099159.db2.gz HKQLSNLSSSMVTQ-UHFFFAOYSA-N 1 0 422.579 4.569 40 0 HJABRO C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2cccc(F)c2)[C@H]1O ZINC000585263543 559111971 /nfs/dbraw/zinc/11/19/71/559111971.db2.gz BFOREAIUEJOGJZ-QKDODKLFSA-N 1 0 418.556 4.852 40 0 HJABRO CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936093 559173778 /nfs/dbraw/zinc/17/37/78/559173778.db2.gz YEPDFOQGCJUBHX-UGKGYDQZSA-N 1 0 400.950 4.828 40 0 HJABRO COc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCOc3ccc(F)cc3)C2)c1 ZINC000072359004 559186050 /nfs/dbraw/zinc/18/60/50/559186050.db2.gz PGWDHPHGQLVFAY-IBGZPJMESA-N 1 0 407.489 4.550 40 0 HJABRO C[C@]12CC[C@H]3c4ccc(OC(=O)CC[NH+]5CCCCC5)cc4CC[C@H]3[C@@H]1CCC2=O ZINC000004028100 560597301 /nfs/dbraw/zinc/59/73/01/560597301.db2.gz KBZHXUQCKRKJLU-LNEBKTTKSA-N 1 0 409.570 4.893 40 0 HJABRO CC(C)[C@@H](c1nnnn1CCc1ccccc1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000004860144 560613085 /nfs/dbraw/zinc/61/30/85/560613085.db2.gz SDEFVGIGMBCMRP-DEOSSOPVSA-N 1 0 403.574 4.568 40 0 HJABRO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000409415059 560723488 /nfs/dbraw/zinc/72/34/88/560723488.db2.gz SCPFIOQUNAJIQW-HINZLTGWSA-N 1 0 417.597 4.912 40 0 HJABRO C[C@]1([NH+]2CCCCC2)[C@@H](c2ccccc2)Oc2ccc(Br)cc2[C@@H]1O ZINC000005531095 560737912 /nfs/dbraw/zinc/73/79/12/560737912.db2.gz PDCAUFHRAKNQNX-PWRODBHTSA-N 1 0 402.332 4.861 40 0 HJABRO CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000005946248 560739116 /nfs/dbraw/zinc/73/91/16/560739116.db2.gz GJFVGXLYELALMG-UHFFFAOYSA-N 1 0 411.571 4.588 40 0 HJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000006629891 560744556 /nfs/dbraw/zinc/74/45/56/560744556.db2.gz HWGAHFYCDYLQSU-UHFFFAOYSA-N 1 0 410.370 4.962 40 0 HJABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Cl)c1OCc1ccc(F)cc1 ZINC000022075682 568473976 /nfs/dbraw/zinc/47/39/76/568473976.db2.gz LKVCULLPGRWQPZ-UHFFFAOYSA-N 1 0 408.945 4.888 40 0 HJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3nc(-c4ccc(Cl)cc4)no3)cc2)C1 ZINC000219240841 568488304 /nfs/dbraw/zinc/48/83/04/568488304.db2.gz UXXMHMHZSBHNOP-INIZCTEOSA-N 1 0 424.932 4.552 40 0 HJABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000222730366 568524942 /nfs/dbraw/zinc/52/49/42/568524942.db2.gz BXPUGYWFSCWTOJ-UHFFFAOYSA-N 1 0 424.397 4.617 40 0 HJABRO S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cc[nH+]cc2)N1C1CCCCC1 ZINC000223086352 568537023 /nfs/dbraw/zinc/53/70/23/568537023.db2.gz FPODIQQJFLFBDS-FCHUYYIVSA-N 1 0 403.555 4.573 40 0 HJABRO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccc(F)cc4)CC3)s2)cc1 ZINC000223197864 568540816 /nfs/dbraw/zinc/54/08/16/568540816.db2.gz VNOBOTKGSLEKAE-UHFFFAOYSA-N 1 0 410.518 4.503 40 0 HJABRO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000223221278 568541425 /nfs/dbraw/zinc/54/14/25/568541425.db2.gz FTMSKJXQNUAPAR-UHFFFAOYSA-N 1 0 410.996 4.543 40 0 HJABRO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000223457618 568549405 /nfs/dbraw/zinc/54/94/05/568549405.db2.gz CQYMNIBXVUABIT-UHFFFAOYSA-N 1 0 412.946 4.709 40 0 HJABRO CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000223656754 568555179 /nfs/dbraw/zinc/55/51/79/568555179.db2.gz CIWMTNGYFAKEBB-HXUWFJFHSA-N 1 0 412.549 4.530 40 0 HJABRO Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224391906 568580019 /nfs/dbraw/zinc/58/00/19/568580019.db2.gz GHXUMOPQFCWOSF-FGZHOGPDSA-N 1 0 415.497 4.584 40 0 HJABRO O=C(Nc1ccc(Cc2ccncc2)cc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000224551721 568584662 /nfs/dbraw/zinc/58/46/62/568584662.db2.gz IMZAYEDXRSCGSQ-UHFFFAOYSA-N 1 0 403.501 4.662 40 0 HJABRO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000225482658 568641746 /nfs/dbraw/zinc/64/17/46/568641746.db2.gz ZLCIOBRXDYOTAH-UHFFFAOYSA-N 1 0 412.946 4.709 40 0 HJABRO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCCC4)cc3)CCOCC2)cc1 ZINC000225569270 568652042 /nfs/dbraw/zinc/65/20/42/568652042.db2.gz QYTRHLQFRAAJQO-UHFFFAOYSA-N 1 0 422.569 4.547 40 0 HJABRO COC1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCCCCC1 ZINC000225630796 568658607 /nfs/dbraw/zinc/65/86/07/568658607.db2.gz LAIWDOQICIXCTR-WOJBJXKFSA-N 1 0 402.579 4.721 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCC3)cc2)CCC(C)CC1 ZINC000225669010 568662299 /nfs/dbraw/zinc/66/22/99/568662299.db2.gz ZCZMPORWHKEAKF-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000225695977 568665228 /nfs/dbraw/zinc/66/52/28/568665228.db2.gz OIGCXOJFQLBAJJ-UHFFFAOYSA-N 1 0 404.595 4.967 40 0 HJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225699283 568665684 /nfs/dbraw/zinc/66/56/84/568665684.db2.gz YEAUGMHZALWYHX-ROKPMTFOSA-N 1 0 404.595 4.967 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC(C)CC1 ZINC000225720609 568667708 /nfs/dbraw/zinc/66/77/08/568667708.db2.gz SZPMOIJYEALNBN-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccccc4C)CC3)s2)cc1 ZINC000225798872 568675747 /nfs/dbraw/zinc/67/57/47/568675747.db2.gz NVWIPKAXVHIDGE-UHFFFAOYSA-N 1 0 406.555 4.673 40 0 HJABRO c1c2ccccc2oc1-c1nnc2sc(CC[N@@H+]3CC[C@H](c4ccccc4)C3)nn21 ZINC000096194460 568704044 /nfs/dbraw/zinc/70/40/44/568704044.db2.gz VSAJFDHXTQTLNB-SFHVURJKSA-N 1 0 415.522 4.631 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000260814553 568740108 /nfs/dbraw/zinc/74/01/08/568740108.db2.gz KNHXFUCDABLGTH-JXALWOEJSA-N 1 0 402.579 4.721 40 0 HJABRO CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260814708 568740149 /nfs/dbraw/zinc/74/01/49/568740149.db2.gz MMBVSYDTAFZLBV-SKPFHBQLSA-N 1 0 404.595 4.967 40 0 HJABRO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260814733 568740199 /nfs/dbraw/zinc/74/01/99/568740199.db2.gz MYVNTALTXNSVKF-DVECYGJZSA-N 1 0 402.579 4.864 40 0 HJABRO Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@H]3Cc2ccccc2)s1 ZINC000257270629 568795815 /nfs/dbraw/zinc/79/58/15/568795815.db2.gz MUZNFYLMYJOXOU-NABGWTBKSA-N 1 0 409.599 4.506 40 0 HJABRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257274031 568796691 /nfs/dbraw/zinc/79/66/91/568796691.db2.gz NJGCYVWQFWPUGZ-UHFFFAOYSA-N 1 0 404.562 4.994 40 0 HJABRO O=C(/C=C/c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C12CCCCC2 ZINC000257302618 568804968 /nfs/dbraw/zinc/80/49/68/568804968.db2.gz SDOKZHSLGWDMED-LJAHQNNKSA-N 1 0 400.566 4.993 40 0 HJABRO O=C(c1ccsc1)N1C[C@]2(CC[N@@H+](Cc3cccc(Cl)c3)C2)c2ncccc21 ZINC000306136825 568898750 /nfs/dbraw/zinc/89/87/50/568898750.db2.gz QEMAVTSWHAIFMT-JOCHJYFZSA-N 1 0 409.942 4.601 40 0 HJABRO c1coc(C[N@@H+]2CC[C@@]3(c4ccccc4)CCc4ncc(-c5ccncc5)n4C[C@H]23)c1 ZINC000306141510 568902937 /nfs/dbraw/zinc/90/29/37/568902937.db2.gz VYQVBDIBROBISY-AZGAKELHSA-N 1 0 410.521 4.697 40 0 HJABRO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)C(C)=O)cc1 ZINC000013756241 569004989 /nfs/dbraw/zinc/00/49/89/569004989.db2.gz UCRIIXJATPHSML-ISJBWFOZSA-N 1 0 408.586 4.732 40 0 HJABRO COc1ccc(-c2cc(C(=O)Nc3cccc(C[NH+]4CCC(C)CC4)c3)n[nH]2)cc1 ZINC000035317085 569052314 /nfs/dbraw/zinc/05/23/14/569052314.db2.gz GCRZFKIHBKWTAJ-UHFFFAOYSA-N 1 0 404.514 4.570 40 0 HJABRO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257199091 569059023 /nfs/dbraw/zinc/05/90/23/569059023.db2.gz SCPFIOQUNAJIQW-JCPVEWQXSA-N 1 0 417.597 4.912 40 0 HJABRO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)C(C)=O)cc1 ZINC000004785549 569071495 /nfs/dbraw/zinc/07/14/95/569071495.db2.gz UCRIIXJATPHSML-IPVFLDMMSA-N 1 0 408.586 4.732 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000019555110 569345704 /nfs/dbraw/zinc/34/57/04/569345704.db2.gz PAWMKIITWCDBRX-WMZHIEFXSA-N 1 0 421.566 4.535 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C3CCC3)c3ccccn3)C2)c(C)c1C ZINC000019577335 569345735 /nfs/dbraw/zinc/34/57/35/569345735.db2.gz JJKKJDIFSMJYBC-RCZVLFRGSA-N 1 0 421.585 4.577 40 0 HJABRO CCNC(=O)C1(Cc2ccccc2-c2cccs2)CC[NH+](Cc2ccncc2)CC1 ZINC000019700265 569347174 /nfs/dbraw/zinc/34/71/74/569347174.db2.gz WHMZEJMIQHMGPS-UHFFFAOYSA-N 1 0 419.594 4.771 40 0 HJABRO CC(C)n1c(C[N@@H+]2CC[C@H](c3cc(COc4ccccc4)[nH]n3)C2)nc2ccccc21 ZINC000019704710 569347778 /nfs/dbraw/zinc/34/77/78/569347778.db2.gz KNNAHSVSPXTPMT-IBGZPJMESA-N 1 0 415.541 4.909 40 0 HJABRO CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CC[NH+](Cc2ccccc2C)CC1 ZINC000019700100 569428551 /nfs/dbraw/zinc/42/85/51/569428551.db2.gz MYWCREXKTURKGW-UHFFFAOYSA-N 1 0 413.565 4.628 40 0 HJABRO CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3C[N@@H+](Cc3cccs3)C2)cc1 ZINC000020503241 575369640 /nfs/dbraw/zinc/36/96/40/575369640.db2.gz UNTCDZABBGHJAP-FUHWJXTLSA-N 1 0 408.592 4.918 40 0 biogenic,in-vitro HJABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CCN(C)C)C=C3C)o2)cc1 ZINC000030883086 291274480 /nfs/dbraw/zinc/27/44/80/291274480.db2.gz QNBPFBGPBLHOBB-VABKMULXSA-N 1 0 410.606 4.593 40 0 biogenic,in-vitro HJABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)o2)cc1 ZINC000049170155 291277155 /nfs/dbraw/zinc/27/71/55/291277155.db2.gz WKGCXGPDLKMMAF-INIZCTEOSA-N 1 0 403.404 4.754 40 0 biogenic,in-vitro HJABRO CC(=O)N1c2ccccc2C([C@@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC000004416116 132277034 /nfs/dbraw/zinc/27/70/34/132277034.db2.gz HWZXWPXTTVBZTK-WPWBMXPQSA-N 1 0 404.554 4.832 40 0 HJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225689444 520455775 /nfs/dbraw/zinc/45/57/75/520455775.db2.gz QZYRBDFGIZBLAJ-YKSBVNFPSA-N 1 0 404.595 4.967 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225715435 520456933 /nfs/dbraw/zinc/45/69/33/520456933.db2.gz UXCNADATRPJALY-YKSBVNFPSA-N 1 0 402.579 4.865 40 0 HJABRO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c2ccccc2O1 ZINC000044918369 520517546 /nfs/dbraw/zinc/51/75/46/520517546.db2.gz YPCPQEQKPMZCLM-OAQYLSRUSA-N 1 0 412.961 4.971 40 0 HJABRO CCOc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1OCC ZINC000044905197 520997701 /nfs/dbraw/zinc/99/77/01/520997701.db2.gz JEPVLAYKXMXBPH-IBGZPJMESA-N 1 0 410.558 4.646 40 0 HJABRO CCOC(=O)c1ccc(C)c(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044911798 521471825 /nfs/dbraw/zinc/47/18/25/521471825.db2.gz UMVDBACGEVAGNW-LJQANCHMSA-N 1 0 414.933 4.676 40 0 HJABRO COc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000044907130 523937476 /nfs/dbraw/zinc/93/74/76/523937476.db2.gz VJYRHBBQUUWNGN-UHFFFAOYSA-N 1 0 414.549 4.616 40 0 HJABRO Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2cc(C)n(-c3cccnc3)c2C)o1 ZINC000043277755 524404993 /nfs/dbraw/zinc/40/49/93/524404993.db2.gz WBJQVXULJROJCD-UHFFFAOYSA-N 1 0 403.530 4.680 40 0 HJABRO COc1ccc([C@@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000044937305 525173148 /nfs/dbraw/zinc/17/31/48/525173148.db2.gz QGCRJNXPOJDESY-XMMPIXPASA-N 1 0 412.549 4.950 40 0 HJABRO Cc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccccc3C)CC1)CC(C)(C)O2 ZINC000044855222 526180260 /nfs/dbraw/zinc/18/02/60/526180260.db2.gz IVNQTMCUJMSECO-QHCPKHFHSA-N 1 0 406.570 4.934 40 0 HJABRO S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000044222115 526385823 /nfs/dbraw/zinc/38/58/23/526385823.db2.gz GBHJQMANXWDKDA-UHFFFAOYSA-N 1 0 418.566 4.825 40 0 HJABRO O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044873239 526955602 /nfs/dbraw/zinc/95/56/02/526955602.db2.gz RAKSFANCMJRKQL-UHFFFAOYSA-N 1 0 407.341 4.675 40 0 HJABRO O=C(OCC[NH+](C1CCCC1)C1CCCC1)C(O)(c1ccccc1)c1ccccc1 ZINC000005046298 557629340 /nfs/dbraw/zinc/62/93/40/557629340.db2.gz ANMUIGQFOKGNKF-UHFFFAOYSA-N 1 0 407.554 4.653 40 0 HJABRO COc1ccc(CC[NH2+]Cc2ccc(OCCc3ccccc3)c(OC)c2)cc1OC ZINC000007540087 557746035 /nfs/dbraw/zinc/74/60/35/557746035.db2.gz NJOACOBKXJVCSR-UHFFFAOYSA-N 1 0 421.537 4.666 40 0 HJABRO COc1ccccc1-c1nc2c3ccccc3nc(SCC[NH+]3CCCCC3)n2n1 ZINC000010157704 557856891 /nfs/dbraw/zinc/85/68/91/557856891.db2.gz YXQWGZMCPYJEJU-UHFFFAOYSA-N 1 0 419.554 4.531 40 0 HJABRO Cc1cccc(CNc2n[nH]c3nc([C@H]4CCC[N@H+](Cc5ccccc5)C4)ccc23)n1 ZINC000019742661 558262997 /nfs/dbraw/zinc/26/29/97/558262997.db2.gz WATCIACYONBFPE-FQEVSTJZSA-N 1 0 412.541 4.653 40 0 HJABRO C[C@@H](NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)c1ccccn1 ZINC000019748825 558268166 /nfs/dbraw/zinc/26/81/66/558268166.db2.gz KAZXUJIDAPYBDR-MRXNPFEDSA-N 1 0 405.464 4.580 40 0 HJABRO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@@H+]2C2CCCCC2)nc1C ZINC000019753470 558272765 /nfs/dbraw/zinc/27/27/65/558272765.db2.gz RUXJSZOEGIITNI-OAQYLSRUSA-N 1 0 408.546 4.906 40 0 HJABRO COc1ccc2c(c1)NC1(CC[NH+](CC3=Cc4ccccc4OC3)CC1)c1cccn1-2 ZINC000012117295 558329052 /nfs/dbraw/zinc/32/90/52/558329052.db2.gz XNPBFPLEYSPOCP-UHFFFAOYSA-N 1 0 413.521 4.679 40 0 HJABRO COc1ccc(C[NH+]2CCC(O)(c3ccccc3F)CC2)cc1Cc1c(C)noc1C ZINC000012240599 558360137 /nfs/dbraw/zinc/36/01/37/558360137.db2.gz WNXHBEOCJJJHCG-UHFFFAOYSA-N 1 0 424.516 4.514 40 0 HJABRO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000020459996 558372423 /nfs/dbraw/zinc/37/24/23/558372423.db2.gz RXGOKAMKZHTYNU-UHFFFAOYSA-N 1 0 400.906 4.611 40 0 HJABRO Cc1cc2c(cc1Cl)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329839 558384782 /nfs/dbraw/zinc/38/47/82/558384782.db2.gz LDSKHFAHKGVVLZ-UXHICEINSA-N 1 0 422.352 4.686 40 0 HJABRO CCOC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)ccc1Cl ZINC000022516945 558494095 /nfs/dbraw/zinc/49/40/95/558494095.db2.gz WVPKAUQXZFJOAD-UHFFFAOYSA-N 1 0 400.906 4.755 40 0 HJABRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H]([NH+]5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118918644 558545495 /nfs/dbraw/zinc/54/54/95/558545495.db2.gz QZQARKHEFRUGSK-ALJVBUTGSA-N 1 0 415.618 4.994 40 0 HJABRO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039761401 558685557 /nfs/dbraw/zinc/68/55/57/558685557.db2.gz UUNTXRKDBLDJDT-UHFFFAOYSA-N 1 0 405.369 4.954 40 0 HJABRO CCOc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1OCC ZINC000039763682 558685909 /nfs/dbraw/zinc/68/59/09/558685909.db2.gz DTLWROKSKAOXTQ-HXUWFJFHSA-N 1 0 424.585 4.882 40 0 HJABRO O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039763908 558685947 /nfs/dbraw/zinc/68/59/47/558685947.db2.gz OKKNYYLBTZTRAV-UHFFFAOYSA-N 1 0 419.569 4.554 40 0 HJABRO O=C(Nc1ccc(Br)cc1F)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000039772568 558686394 /nfs/dbraw/zinc/68/63/94/558686394.db2.gz ORUKEHFWYSTXPO-UHFFFAOYSA-N 1 0 409.274 4.578 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSCc2ccc(Cl)cc2)CC1 ZINC000039757932 558689368 /nfs/dbraw/zinc/68/93/68/558689368.db2.gz LFTPMCTYRZEITP-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO S=C(Nc1ccc(Cl)cc1)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000035781037 558795157 /nfs/dbraw/zinc/79/51/57/558795157.db2.gz LJMIHNWGPQSCOB-XWDORNJCSA-N 1 0 402.007 4.932 40 0 HJABRO Cc1ccnc(-n2cccc2C[N@H+](CCCn2ccnc2)Cc2ccc(F)cc2)c1 ZINC000036740145 558801667 /nfs/dbraw/zinc/80/16/67/558801667.db2.gz NTZNPTXVYBXAHG-UHFFFAOYSA-N 1 0 403.505 4.609 40 0 HJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)C1 ZINC000038771351 558815098 /nfs/dbraw/zinc/81/50/98/558815098.db2.gz GSIIWJQYTMALEW-HXUWFJFHSA-N 1 0 419.569 4.797 40 0 HJABRO O=C(Nc1cccc(Br)c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833927 558817253 /nfs/dbraw/zinc/81/72/53/558817253.db2.gz VVWHURCOZMWHEK-HNNXBMFYSA-N 1 0 407.739 4.953 40 0 HJABRO Cc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccncc1 ZINC000019237258 558856523 /nfs/dbraw/zinc/85/65/23/558856523.db2.gz PYRJSHIZWRBHBB-HJOGWXRNSA-N 1 0 417.578 4.582 40 0 HJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000019400581 558883062 /nfs/dbraw/zinc/88/30/62/558883062.db2.gz AHYXWHRDNZKYSF-PXDATVDWSA-N 1 0 409.549 4.871 40 0 HJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019400639 558883128 /nfs/dbraw/zinc/88/31/28/558883128.db2.gz GVMOOXRARZPCAJ-SQJMNOBHSA-N 1 0 409.549 4.871 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000019400644 558883286 /nfs/dbraw/zinc/88/32/86/558883286.db2.gz OTUMIUCTZRIJTC-GBXCKJPGSA-N 1 0 421.491 4.743 40 0 HJABRO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@@H+]2C1 ZINC000070707874 558893306 /nfs/dbraw/zinc/89/33/06/558893306.db2.gz NEMWYOKGHGSVSC-QNOJQWCNSA-N 1 0 415.662 4.563 40 0 HJABRO CCCOc1ccccc1C[N@@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019525167 558906496 /nfs/dbraw/zinc/90/64/96/558906496.db2.gz JSLROESNQPFBPV-FQEVSTJZSA-N 1 0 421.545 4.632 40 0 HJABRO CCCOc1ccccc1C[N@@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cc(C)no1 ZINC000019525166 558906553 /nfs/dbraw/zinc/90/65/53/558906553.db2.gz JSLROESNQPFBPV-HXUWFJFHSA-N 1 0 421.545 4.632 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)c(OC)c1 ZINC000019564332 558924501 /nfs/dbraw/zinc/92/45/01/558924501.db2.gz QDCHAYJSGDNBIY-CQSZACIVSA-N 1 0 417.456 4.866 40 0 HJABRO CC(C)(C)c1cc2nc(C3CC[NH+](Cc4cccnc4)CC3)cc(C(F)(F)F)n2n1 ZINC000072341087 558939555 /nfs/dbraw/zinc/93/95/55/558939555.db2.gz CTEURYQIBCCULX-UHFFFAOYSA-N 1 0 417.479 4.820 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000072341439 558939746 /nfs/dbraw/zinc/93/97/46/558939746.db2.gz RRXVUHBFJQNFRY-FPOVZHCZSA-N 1 0 409.530 4.666 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CCCC1 ZINC000072341419 558939759 /nfs/dbraw/zinc/93/97/59/558939759.db2.gz XNKYNBCQZVBIDK-QUCCMNQESA-N 1 0 401.551 4.542 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CCCC1 ZINC000072341418 558939772 /nfs/dbraw/zinc/93/97/72/558939772.db2.gz XNKYNBCQZVBIDK-ICSRJNTNSA-N 1 0 401.551 4.542 40 0 HJABRO O=c1oc2ccc(Cl)cc2n1C1CC[NH+](Cc2cccn2-c2ccc(O)cc2)CC1 ZINC000072347913 558945248 /nfs/dbraw/zinc/94/52/48/558945248.db2.gz HZIAQVZRHQOVCL-UHFFFAOYSA-N 1 0 423.900 4.581 40 0 HJABRO NC(=O)c1cccc(-c2cccc([C@@H]3CCC[N@H+](Cc4ccc5[nH]ccc5c4)C3)n2)c1 ZINC000072350440 558947371 /nfs/dbraw/zinc/94/73/71/558947371.db2.gz WBQFPBRHUQOPKH-JOCHJYFZSA-N 1 0 410.521 4.708 40 0 HJABRO Cc1cc(C)n(C2CC[NH+](Cc3c(-c4ccc(F)cc4)nc4sccn34)CC2)n1 ZINC000019658357 558950258 /nfs/dbraw/zinc/95/02/58/558950258.db2.gz UZZZNLKUGBUTRX-UHFFFAOYSA-N 1 0 409.534 4.852 40 0 HJABRO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000072359001 558954721 /nfs/dbraw/zinc/95/47/21/558954721.db2.gz MZJMRKVTPVPKSI-GOSISDBHSA-N 1 0 407.489 4.550 40 0 HJABRO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000072361002 558955705 /nfs/dbraw/zinc/95/57/05/558955705.db2.gz PQMCVRIKGQOQAS-QGZVFWFLSA-N 1 0 416.550 4.536 40 0 HJABRO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019688682 558958219 /nfs/dbraw/zinc/95/82/19/558958219.db2.gz UYWHNPUHUDSAON-HXUWFJFHSA-N 1 0 412.541 4.849 40 0 HJABRO COc1cccc(OCCc2cc([C@@H]3CC[N@H+](C/C(C)=C/c4ccccc4)C3)[nH]n2)c1 ZINC000072371560 558958443 /nfs/dbraw/zinc/95/84/43/558958443.db2.gz BHNMVWAVTHFTAL-GFCAVMEOSA-N 1 0 417.553 4.933 40 0 HJABRO Cc1c(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019694317 558962629 /nfs/dbraw/zinc/96/26/29/558962629.db2.gz HSKNQWROYMEECT-NRFANRHFSA-N 1 0 424.980 4.632 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)c2cc(F)ccc21 ZINC000072376096 558965096 /nfs/dbraw/zinc/96/50/96/558965096.db2.gz ZCXOZFQRXMMURS-QGZVFWFLSA-N 1 0 416.504 4.626 40 0 HJABRO CCn1cc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)c(C)n1 ZINC000072376628 558965808 /nfs/dbraw/zinc/96/58/08/558965808.db2.gz XWRKMKKEZIMVRC-NRFANRHFSA-N 1 0 424.980 4.725 40 0 HJABRO Cc1cccc(C[NH+]2CCC(Cc3ccc(-c4ccccc4F)cc3)(C(N)=O)CC2)n1 ZINC000019700505 558966938 /nfs/dbraw/zinc/96/69/38/558966938.db2.gz FRJLLRUBXUJKFK-UHFFFAOYSA-N 1 0 417.528 4.506 40 0 HJABRO COc1ccccc1CN(CC[NH+](C)C)Cc1c2cccnc2[nH]c1C1CCCC1 ZINC000072393717 558973037 /nfs/dbraw/zinc/97/30/37/558973037.db2.gz CWHXPJUPOJOEGZ-UHFFFAOYSA-N 1 0 406.574 4.793 40 0 HJABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398620 558976389 /nfs/dbraw/zinc/97/63/89/558976389.db2.gz YQXYCXVLJBZQTO-URXFXBBRSA-N 1 0 423.601 4.984 40 0 HJABRO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc(Cl)c2)C1 ZINC000585165371 559066413 /nfs/dbraw/zinc/06/64/13/559066413.db2.gz LIXDECDNUFAKLZ-FQEVSTJZSA-N 1 0 422.960 4.715 40 0 HJABRO O=C(Nc1ccc(Cl)cc1)N1CCC2(C1)CC[NH+](Cc1cccc(F)c1)CC2 ZINC000096046628 559091918 /nfs/dbraw/zinc/09/19/18/559091918.db2.gz VRMRCVHCQPKLHY-UHFFFAOYSA-N 1 0 401.913 4.999 40 0 HJABRO O=C1N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096052532 559092250 /nfs/dbraw/zinc/09/22/50/559092250.db2.gz NIFRYYCTQSQMKS-UHFFFAOYSA-N 1 0 400.497 4.906 40 0 HJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053089 559092887 /nfs/dbraw/zinc/09/28/87/559092887.db2.gz DIUZCCHLTVDQGY-HXUWFJFHSA-N 1 0 410.583 4.565 40 0 HJABRO O=C(Cc1ccc(Cl)cc1)N1CC2(C1)CC[NH+](Cc1cccc(Cl)c1)CC2 ZINC000096203007 559101254 /nfs/dbraw/zinc/10/12/54/559101254.db2.gz AZSUMCGVFNAINW-UHFFFAOYSA-N 1 0 403.353 4.661 40 0 HJABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cc1 ZINC000585262709 559110938 /nfs/dbraw/zinc/11/09/38/559110938.db2.gz VIKFFIYBYXUGFH-UHFFFAOYSA-N 1 0 421.570 4.928 40 0 HJABRO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@H+](CCCc3ccccc3)C2)c1 ZINC000072358902 559186123 /nfs/dbraw/zinc/18/61/23/559186123.db2.gz OYBCWZVGABOIDO-QHCPKHFHSA-N 1 0 414.553 4.914 40 0 HJABRO CN(Cc1ccccc1)[C@@H]1CC[C@@H]([N@H+](CCc2ccccc2)Cc2ccccc2)[C@@H]1O ZINC000257266498 559284936 /nfs/dbraw/zinc/28/49/36/559284936.db2.gz MDGRKROCEVWCHA-JCYYIGJDSA-N 1 0 414.593 4.755 40 0 HJABRO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](CCC(C)(C)C)C[C@H]21 ZINC000514290139 560030716 /nfs/dbraw/zinc/03/07/16/560030716.db2.gz SJLLHHAKWHCJJL-IRLDBZIGSA-N 1 0 414.496 4.585 40 0 biogenic,in-vitro HJABRO CC1=C([C@H](C)[C@@H]2[NH2+]C[C@@H](C)C[C@H]2O)CC[C@@H]2C1=C[C@@H]1[C@@H]2CC=C2C[C@@H](O)CC[C@@]21C ZINC000008298807 560208474 /nfs/dbraw/zinc/20/84/74/560208474.db2.gz MNUNKCHZNVYRDJ-ZYYNRZNYSA-N 1 0 411.630 4.762 40 0 in-vitro HJABRO CCC[NH+]1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn32)CC1 ZINC000004980452 560622896 /nfs/dbraw/zinc/62/28/96/560622896.db2.gz DHBOUSRHOAPHSF-UHFFFAOYSA-N 1 0 415.516 4.734 40 0 HJABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc2ccccc2c1 ZINC000006549048 560744060 /nfs/dbraw/zinc/74/40/60/560744060.db2.gz IGDGBJWASBCRSK-UHFFFAOYSA-N 1 0 403.551 4.953 40 0 HJABRO [NH2+]=C(Nc1ccc(Cl)cc1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000009287000 560757657 /nfs/dbraw/zinc/75/76/57/560757657.db2.gz LIESBJCBXMPPCC-UHFFFAOYSA-N 1 0 420.325 4.828 40 0 HJABRO COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2ccc(C)cc2C)cc1 ZINC000005219360 568442780 /nfs/dbraw/zinc/44/27/80/568442780.db2.gz MKTCJRDZURCFKV-RZFJZAQRSA-N 1 0 422.569 4.619 40 0 HJABRO CC[NH+](CC)CCNCc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000022075547 568473923 /nfs/dbraw/zinc/47/39/23/568473923.db2.gz ORWXTUVBPIGUBU-UHFFFAOYSA-N 1 0 409.343 4.599 40 0 HJABRO CCOc1cc(CNCC[NH+](CC)CC)cc(Cl)c1OCc1ccccc1F ZINC000022075709 568473931 /nfs/dbraw/zinc/47/39/31/568473931.db2.gz BLOLWMCRGZBKIZ-UHFFFAOYSA-N 1 0 408.945 4.888 40 0 HJABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 ZINC000022107592 568475336 /nfs/dbraw/zinc/47/53/36/568475336.db2.gz VVKLBOPOWVGVDO-IBGZPJMESA-N 1 0 403.931 4.812 40 0 HJABRO O=C(NCCCN1CCCc2ccccc21)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000219965499 568500452 /nfs/dbraw/zinc/50/04/52/568500452.db2.gz IOMSSULNCOLVGN-UHFFFAOYSA-N 1 0 405.586 4.635 40 0 HJABRO Cc1cc(O[C@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000222859120 568528760 /nfs/dbraw/zinc/52/87/60/568528760.db2.gz YBYFFKSNAIADES-MRXNPFEDSA-N 1 0 402.922 4.527 40 0 HJABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1C ZINC000223416094 568548095 /nfs/dbraw/zinc/54/80/95/568548095.db2.gz AKUALPQSGYPHRS-UHFFFAOYSA-N 1 0 414.549 4.671 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCOc3cccc4ccccc43)CC2)c1 ZINC000223554755 568551547 /nfs/dbraw/zinc/55/15/47/568551547.db2.gz SAJFFXGPZJUIGB-UHFFFAOYSA-N 1 0 402.538 4.555 40 0 HJABRO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000223554940 568551571 /nfs/dbraw/zinc/55/15/71/568551571.db2.gz MFQYVBBAYUSGSM-UHFFFAOYSA-N 1 0 422.956 4.900 40 0 HJABRO Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224194776 568573273 /nfs/dbraw/zinc/57/32/73/568573273.db2.gz MYPNZDDRULSPKZ-PKTZIBPZSA-N 1 0 411.534 4.753 40 0 HJABRO Cc1cc(OCC(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc(C)c1Cl ZINC000224675345 568592007 /nfs/dbraw/zinc/59/20/07/568592007.db2.gz HZBNVCAQOGYTRR-UHFFFAOYSA-N 1 0 400.950 4.638 40 0 HJABRO CCn1c2ccc(NC(=O)c3ccc(C[NH+]4CCCCCC4)cc3)cc2sc1=O ZINC000225113676 568615091 /nfs/dbraw/zinc/61/50/91/568615091.db2.gz FOZOSIXAWASYND-UHFFFAOYSA-N 1 0 409.555 4.711 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)CC1 ZINC000225165949 568619834 /nfs/dbraw/zinc/61/98/34/568619834.db2.gz NAOWQGXOPMKBOS-UHFFFAOYSA-N 1 0 423.582 4.803 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225635724 568658968 /nfs/dbraw/zinc/65/89/68/568658968.db2.gz NIUCCHZYCQURBK-DBYOASNMSA-N 1 0 402.579 4.577 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 ZINC000225720435 568667663 /nfs/dbraw/zinc/66/76/63/568667663.db2.gz MRTGBXOUENEFRR-HRZAVBMWSA-N 1 0 416.606 4.967 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@H](C)C3)cc2)CCCC1 ZINC000260814683 568740136 /nfs/dbraw/zinc/74/01/36/568740136.db2.gz MGECJCHULUSPJF-FQEVSTJZSA-N 1 0 402.579 4.865 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cn(C)c3ccccc23)C1 ZINC000257283684 568799471 /nfs/dbraw/zinc/79/94/71/568799471.db2.gz OZJKIJXVMAEPKQ-INIZCTEOSA-N 1 0 403.551 4.742 40 0 HJABRO O=C(c1ccsc1)N1C[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)c2ncccc21 ZINC000306133814 568895890 /nfs/dbraw/zinc/89/58/90/568895890.db2.gz MWZUCQGTFQYNSJ-JOCHJYFZSA-N 1 0 409.942 4.601 40 0 HJABRO Cc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000328958399 568969708 /nfs/dbraw/zinc/96/97/08/568969708.db2.gz ANJLFFIAWVKGAH-UHFFFAOYSA-N 1 0 414.431 4.858 40 0 HJABRO Cc1nc(N2CCc3cc(Br)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000329064352 568975392 /nfs/dbraw/zinc/97/53/92/568975392.db2.gz XJMHVVJINRXALQ-UHFFFAOYSA-N 1 0 409.331 4.722 40 0 HJABRO CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(C[NH2+]Cc3ccc(Cl)cc3)cc12 ZINC000026440746 569031818 /nfs/dbraw/zinc/03/18/18/569031818.db2.gz PMJQAPZQYHTCQI-UHFFFAOYSA-N 1 0 420.944 4.955 40 0 HJABRO CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]([NH+]5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012660438 569040206 /nfs/dbraw/zinc/04/02/06/569040206.db2.gz QZQARKHEFRUGSK-QXCGSLFNSA-N 1 0 415.618 4.994 40 0 HJABRO COc1ccc(-c2cc(C(=O)Nc3cccc(C[N@@H+]4CCCC[C@H]4C)c3)n[nH]2)cc1 ZINC000035317079 569052259 /nfs/dbraw/zinc/05/22/59/569052259.db2.gz LWLUTRYEUPOGNL-QGZVFWFLSA-N 1 0 404.514 4.712 40 0 HJABRO C[C@H](C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000248137586 569316294 /nfs/dbraw/zinc/31/62/94/569316294.db2.gz AMPDDSIZYOYEQN-UZKOGDIHSA-N 1 0 420.582 4.525 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000248132328 569316333 /nfs/dbraw/zinc/31/63/33/569316333.db2.gz XOXJGZHJMGRMII-SLSDLSHTSA-N 1 0 403.570 4.929 40 0 HJABRO O=C(NC(c1ccccc1)c1ccccc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000009063549 569342448 /nfs/dbraw/zinc/34/24/48/569342448.db2.gz IEEQQGFPTFLYRO-UHFFFAOYSA-N 1 0 402.513 4.944 40 0 HJABRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000009063385 569342478 /nfs/dbraw/zinc/34/24/78/569342478.db2.gz ZPYVOCKNNYDAST-UHFFFAOYSA-N 1 0 407.739 4.953 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c(C)c1C ZINC000019577332 569345806 /nfs/dbraw/zinc/34/58/06/569345806.db2.gz SLWQLUZMKVLMLA-ZJSXRUAMSA-N 1 0 423.601 4.823 40 0 HJABRO Cc1nc([C@]2(O)CCC[N@H+](CC(C)(C)C)CC2)sc1CCOc1ccccc1 ZINC000019738740 569348558 /nfs/dbraw/zinc/34/85/58/569348558.db2.gz GVNOERWHFFLDMY-QHCPKHFHSA-N 1 0 402.604 4.793 40 0 HJABRO C[C@@H]([C@H]1[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)[C@H]1CC[C@@H](C)C[NH2+]1 ZINC000070691661 569413366 /nfs/dbraw/zinc/41/33/66/569413366.db2.gz IRRHFODGOMSPEE-AQHVFOSKSA-N 1 0 415.662 4.921 40 0 biogenic HJABRO CC[C@@H](C)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329032663 571309122 /nfs/dbraw/zinc/30/91/22/571309122.db2.gz QOUHKTBYWFIMOK-CQSZACIVSA-N 1 0 403.368 5.136 40 0 HJABRO CC[C@H](C)Nc1nc(N2CCc3cc(Br)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329032660 571309544 /nfs/dbraw/zinc/30/95/44/571309544.db2.gz QOUHKTBYWFIMOK-AWEZNQCLSA-N 1 0 403.368 5.136 40 0 HJABRO CC1=C[C@@H](C[N@H+](C)CCN(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882849 291274224 /nfs/dbraw/zinc/27/42/24/291274224.db2.gz NLJGHDRVMGNAPD-VABKMULXSA-N 1 0 410.606 4.627 40 0 biogenic,in-vitro HJABRO Cc1cccc(N2CC[NH+](CCCOC(=O)Nc3cccc4ccccc43)CC2)c1 ZINC000004823086 132289808 /nfs/dbraw/zinc/28/98/08/132289808.db2.gz VPWGCPCEGGVUIK-UHFFFAOYSA-N 1 0 403.526 4.909 40 0 HJABRO Cc1occc1-c1nc(N2CCC([NH+]3CCCCC3)CC2)ncc1-c1ccncc1 ZINC000012222823 132357013 /nfs/dbraw/zinc/35/70/13/132357013.db2.gz POSFWTNWHRKUTE-UHFFFAOYSA-N 1 0 403.530 4.562 40 0 HJABRO CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000044916113 519782779 /nfs/dbraw/zinc/78/27/79/519782779.db2.gz FSWZHEZTISLMBX-QFIPXVFZSA-N 1 0 412.549 4.574 40 0 HJABRO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000044911879 521472706 /nfs/dbraw/zinc/47/27/06/521472706.db2.gz RCLIIDVIILXTPK-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO COc1cccc(CCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000044906926 525890654 /nfs/dbraw/zinc/89/06/54/525890654.db2.gz JIIGMXMYRPKYML-UHFFFAOYSA-N 1 0 414.549 4.616 40 0 HJABRO C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875044 525947901 /nfs/dbraw/zinc/94/79/01/525947901.db2.gz VEQAFUJEAZVZMY-HXUWFJFHSA-N 1 0 402.538 4.909 40 0 HJABRO COc1cccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000225907719 526130204 /nfs/dbraw/zinc/13/02/04/526130204.db2.gz YMWJZKFUKVEKSH-INIZCTEOSA-N 1 0 407.341 4.877 40 0 HJABRO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855212 526188067 /nfs/dbraw/zinc/18/80/67/526188067.db2.gz FEHJMIGOEQMILR-KNQAVFIVSA-N 1 0 410.533 4.765 40 0 HJABRO CCOc1ccc(Cc2c3cc(OCC)c(OCC)cc3cc[n+]2C)cc1OCC ZINC000001666103 557279386 /nfs/dbraw/zinc/27/93/86/557279386.db2.gz QTTWGWGCEKFKNN-UHFFFAOYSA-N 1 0 410.534 4.850 40 0 HJABRO Cc1c2c(ccc1[C@@H](C)[C@H]1[NH2+]C[C@@H](C)C[C@H]1O)[C@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@@H]1C2 ZINC000004429987 557554783 /nfs/dbraw/zinc/55/47/83/557554783.db2.gz MALFODICFSIXPO-SFJYOXRKSA-N 1 0 409.614 4.595 40 0 in-vitro HJABRO Cc1c2c(ccc1[C@@H](C)[C@H]1[NH2+]C[C@@H](C)C[C@H]1O)[C@@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1C2 ZINC000004429990 557554860 /nfs/dbraw/zinc/55/48/60/557554860.db2.gz MALFODICFSIXPO-WZCNQPMBSA-N 1 0 409.614 4.595 40 0 in-vitro HJABRO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCC[N@H+](Cc5ccccc5)C4)ccc23)n1 ZINC000019742660 558263073 /nfs/dbraw/zinc/26/30/73/558263073.db2.gz WATCIACYONBFPE-HXUWFJFHSA-N 1 0 412.541 4.653 40 0 HJABRO Cc1nc([C@H]2CCC[N@@H+]2C2CCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743120 558263575 /nfs/dbraw/zinc/26/35/75/558263575.db2.gz UTNGFMUNJHAGQH-JOCHJYFZSA-N 1 0 422.548 4.873 40 0 HJABRO Nc1ncnc2nc([C@H]3CCC[N@H+](Cc4ccc(Cl)cc4)C3)cc(C(F)(F)F)c12 ZINC000019743219 558263755 /nfs/dbraw/zinc/26/37/55/558263755.db2.gz OWKGSBIENCYALF-ZDUSSCGKSA-N 1 0 421.854 4.659 40 0 HJABRO Cc1nc([C@H]2CC[N@H+](CCc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753194 558272431 /nfs/dbraw/zinc/27/24/31/558272431.db2.gz RNCINCDAMATFAZ-IBGZPJMESA-N 1 0 420.944 4.723 40 0 HJABRO CC1(C)CC(NC(=O)c2cccc(OCc3ccccc3Cl)c2)CC(C)(C)[NH2+]1 ZINC000022258296 558474708 /nfs/dbraw/zinc/47/47/08/558474708.db2.gz VCOPCXOOMSKXCW-UHFFFAOYSA-N 1 0 400.950 4.958 40 0 HJABRO CCOc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000022913875 558520794 /nfs/dbraw/zinc/52/07/94/558520794.db2.gz QAYGPQYPCRDNAN-UHFFFAOYSA-N 1 0 400.522 4.574 40 0 HJABRO O=C(NCCSCc1ccccc1F)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039772400 558686291 /nfs/dbraw/zinc/68/62/91/558686291.db2.gz DNGQKXZBOWIACQ-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000039768399 558686354 /nfs/dbraw/zinc/68/63/54/558686354.db2.gz RVAXHHFONAHJGL-UHFFFAOYSA-N 1 0 401.348 4.917 40 0 HJABRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039744057 558686805 /nfs/dbraw/zinc/68/68/05/558686805.db2.gz ZFDLEYFHXXUIGG-UHFFFAOYSA-N 1 0 407.739 4.953 40 0 HJABRO COC(=O)c1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)ccc1Cl ZINC000030938829 558745064 /nfs/dbraw/zinc/74/50/64/558745064.db2.gz CGJMZMAWVRWECL-OAHLLOKOSA-N 1 0 421.324 4.631 40 0 HJABRO COC(=O)c1cc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)ccc1Cl ZINC000030938931 558745166 /nfs/dbraw/zinc/74/51/66/558745166.db2.gz DWJGSOXBVRSWSF-UHFFFAOYSA-N 1 0 400.906 4.755 40 0 HJABRO O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030941623 558745716 /nfs/dbraw/zinc/74/57/16/558745716.db2.gz DMSIFBPGHVQKQZ-UHFFFAOYSA-N 1 0 419.569 4.941 40 0 HJABRO O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030944210 558746174 /nfs/dbraw/zinc/74/61/74/558746174.db2.gz IYYAKEZLNGMNJO-QHCPKHFHSA-N 1 0 402.513 4.944 40 0 HJABRO CC1(C)CC(N(Cc2cnn(-c3ccccc3)c2)Cc2ccccn2)CC(C)(C)[NH2+]1 ZINC000036740517 558801875 /nfs/dbraw/zinc/80/18/75/558801875.db2.gz BJBKCQSRDNHMLO-UHFFFAOYSA-N 1 0 403.574 4.579 40 0 HJABRO COc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C(C)(C)C ZINC000019081657 558839783 /nfs/dbraw/zinc/83/97/83/558839783.db2.gz PNQNEJAJRVDSLD-NJDAHSKKSA-N 1 0 412.599 4.619 40 0 HJABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccc(F)c3F)CC[C@H]21 ZINC000019081639 558839799 /nfs/dbraw/zinc/83/97/99/558839799.db2.gz OJLDEUSFYDOZHU-QWFCFKBJSA-N 1 0 418.553 4.889 40 0 HJABRO Cc1cc(-c2cnc(N(C)C)nc2[C@H]2CCC[N@H+]2Cc2cccc(OC(C)C)c2)on1 ZINC000019122524 558843684 /nfs/dbraw/zinc/84/36/84/558843684.db2.gz NIIPEZZHKQONCO-OAQYLSRUSA-N 1 0 421.545 4.630 40 0 HJABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(Cl)c(C)cc2O3)cc1C ZINC000019213486 558849377 /nfs/dbraw/zinc/84/93/77/558849377.db2.gz GVXCQUCJRYYZLB-VXKWHMMOSA-N 1 0 415.961 4.649 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019236821 558855905 /nfs/dbraw/zinc/85/59/05/558855905.db2.gz CYNZVDQDPCZVBW-SQJMNOBHSA-N 1 0 417.528 4.912 40 0 HJABRO O=C(NCc1cccs1)c1cc(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)no1 ZINC000019343739 558872593 /nfs/dbraw/zinc/87/25/93/558872593.db2.gz HQBAQJUAFUNRIH-UHFFFAOYSA-N 1 0 415.946 4.699 40 0 HJABRO OC1(Cn2c(C(F)(F)F)cc3cccnc32)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000019347114 558873809 /nfs/dbraw/zinc/87/38/09/558873809.db2.gz AKJVRCSWTIMNHV-UHFFFAOYSA-N 1 0 423.866 4.736 40 0 HJABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccccc3F)CC[C@@H]21 ZINC000019349221 558874831 /nfs/dbraw/zinc/87/48/31/558874831.db2.gz CIMZCTYXVIONEJ-FUDKSRODSA-N 1 0 412.574 4.894 40 0 HJABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc(F)c1 ZINC000019400841 558883400 /nfs/dbraw/zinc/88/34/00/558883400.db2.gz MNJAPJJMZRCIER-XMMPIXPASA-N 1 0 421.491 4.743 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccs1 ZINC000019400655 558883405 /nfs/dbraw/zinc/88/34/05/558883405.db2.gz LUQCUPUKHROZKV-PGRDOPGGSA-N 1 0 409.530 4.666 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449560 558888041 /nfs/dbraw/zinc/88/80/41/558888041.db2.gz WFUPEHJVMOGTTL-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+](Cc4cccnc4)C3)cc2n1 ZINC000019452286 558890104 /nfs/dbraw/zinc/89/01/04/558890104.db2.gz IPERPZIYARYTCB-INIZCTEOSA-N 1 0 403.452 4.646 40 0 HJABRO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)c1 ZINC000019551194 558915361 /nfs/dbraw/zinc/91/53/61/558915361.db2.gz UNYKOJHHYVKMAP-LAUBAEHRSA-N 1 0 401.553 4.508 40 0 HJABRO COc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc3cc(F)ccc3n2)cc1 ZINC000019554735 558917659 /nfs/dbraw/zinc/91/76/59/558917659.db2.gz MIQJMMWMLKDXPQ-UHFFFAOYSA-N 1 0 404.489 4.672 40 0 HJABRO COc1cccc(C[NH+]2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)c1 ZINC000019569125 558928259 /nfs/dbraw/zinc/92/82/59/558928259.db2.gz GZDVMEYKIIETBS-UHFFFAOYSA-N 1 0 405.420 4.938 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000072330503 558934878 /nfs/dbraw/zinc/93/48/78/558934878.db2.gz OTUMIUCTZRIJTC-RDPSFJRHSA-N 1 0 421.491 4.743 40 0 HJABRO CN(C)c1cc([C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)nc(-c2ccncc2)n1 ZINC000019584592 558938665 /nfs/dbraw/zinc/93/86/65/558938665.db2.gz BPEPDYVHJXPJJY-OAQYLSRUSA-N 1 0 424.552 4.532 40 0 HJABRO OC1(c2cccnc2F)CC[NH+](Cc2ccc(-c3ccc(F)c(Cl)c3)o2)CC1 ZINC000072339998 558938843 /nfs/dbraw/zinc/93/88/43/558938843.db2.gz VSVJCXDONCDDGK-UHFFFAOYSA-N 1 0 404.844 4.757 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000072341434 558939775 /nfs/dbraw/zinc/93/97/75/558939775.db2.gz ZGFPMJITQAXRLK-CTNGQTDRSA-N 1 0 409.530 4.666 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CCCC1 ZINC000072341416 558939797 /nfs/dbraw/zinc/93/97/97/558939797.db2.gz BJZPMXNUCFTXNP-ICSRJNTNSA-N 1 0 401.551 4.542 40 0 HJABRO CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000072344936 558941323 /nfs/dbraw/zinc/94/13/23/558941323.db2.gz KDKJKODGQWYKMP-NRFANRHFSA-N 1 0 410.562 4.549 40 0 HJABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)CC1 ZINC000072350213 558947016 /nfs/dbraw/zinc/94/70/16/558947016.db2.gz LGAMKLRJYADPFK-FQEVSTJZSA-N 1 0 411.977 4.516 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352457 558949018 /nfs/dbraw/zinc/94/90/18/558949018.db2.gz IYQXBHJSWMYSBF-SFHVURJKSA-N 1 0 401.535 4.799 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4ncccn4)cn3)C2)c2cc(F)ccc21 ZINC000072353453 558950490 /nfs/dbraw/zinc/95/04/90/558950490.db2.gz VNVVSRIRXYWMSG-QGZVFWFLSA-N 1 0 416.504 4.626 40 0 HJABRO COc1ccccc1-c1nccnc1[C@H]1CCC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000072359002 558954771 /nfs/dbraw/zinc/95/47/71/558954771.db2.gz MZJMRKVTPVPKSI-SFHVURJKSA-N 1 0 407.489 4.550 40 0 HJABRO CC(C)n1c2ccccc2nc1C[N@@H+]1CCC[C@H](c2ccc(-c3cncnc3)cn2)C1 ZINC000019688684 558958171 /nfs/dbraw/zinc/95/81/71/558958171.db2.gz UYWHNPUHUDSAON-FQEVSTJZSA-N 1 0 412.541 4.849 40 0 HJABRO COc1ccc2c(C[N@@H+]3CCC[C@@H]3c3cc(-c4cnn(C)c4)cc(C)n3)cn(C)c2c1 ZINC000019690995 558960488 /nfs/dbraw/zinc/96/04/88/558960488.db2.gz CLDFGJLDJJRMHY-XMMPIXPASA-N 1 0 415.541 4.628 40 0 HJABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 ZINC000072375726 558964616 /nfs/dbraw/zinc/96/46/16/558964616.db2.gz MCYLFNPWGDUKGD-NRFANRHFSA-N 1 0 403.530 4.886 40 0 HJABRO CCOc1ccccc1C[N@H+](Cc1ccc(F)cc1)[C@@H]1COC[C@H]1Cc1cc(C)no1 ZINC000072395082 558973815 /nfs/dbraw/zinc/97/38/15/558973815.db2.gz AKQIOQBBNRNPDU-ZJSXRUAMSA-N 1 0 424.516 4.781 40 0 HJABRO CC(C)OC(=O)NC1CC2(C1)CC[NH+](Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000585103641 559025730 /nfs/dbraw/zinc/02/57/30/559025730.db2.gz QJKXXAOWXKOQCK-UHFFFAOYSA-N 1 0 402.432 4.724 40 0 HJABRO NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000585166502 559067006 /nfs/dbraw/zinc/06/70/06/559067006.db2.gz SXQGJVVKNBMTBG-UHFFFAOYSA-N 1 0 419.956 4.712 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053206 559093088 /nfs/dbraw/zinc/09/30/88/559093088.db2.gz WCHFIPJZPSQRNP-IBGZPJMESA-N 1 0 410.583 4.662 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21)NC1CCC1 ZINC000096053382 559093288 /nfs/dbraw/zinc/09/32/88/559093288.db2.gz NRQJEGQJMRUPBH-IBGZPJMESA-N 1 0 410.583 4.708 40 0 HJABRO Cc1ccc(OCC2(O)CC[NH+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC2)c(C)c1 ZINC000585286803 559122072 /nfs/dbraw/zinc/12/20/72/559122072.db2.gz IXWBBCXZNUCGGQ-OGLKEZPNSA-N 1 0 423.597 4.598 40 0 HJABRO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3cccnc3)C2)[nH+]1 ZINC000585292763 559124414 /nfs/dbraw/zinc/12/44/14/559124414.db2.gz NRNVFIYGRCXLFM-GLCJEOIMSA-N 1 0 413.525 4.651 40 0 HJABRO Cc1cc(C)c(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c(Br)c1 ZINC000017091001 560865809 /nfs/dbraw/zinc/86/58/09/560865809.db2.gz ZQVDWXDRGZVCOI-UHFFFAOYSA-N 1 0 417.347 4.679 40 0 HJABRO CCOc1cc(C[NH2+][C@@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1 ZINC000020477122 560884553 /nfs/dbraw/zinc/88/45/53/560884553.db2.gz WLWKIDRVXZRMHZ-OAQYLSRUSA-N 1 0 400.950 4.502 40 0 HJABRO COc1ccc(-c2nnc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)s2)cc1 ZINC000223149552 568539498 /nfs/dbraw/zinc/53/94/98/568539498.db2.gz JMXVFLRYMHZXJO-UHFFFAOYSA-N 1 0 422.554 4.698 40 0 HJABRO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000223625517 568553777 /nfs/dbraw/zinc/55/37/77/568553777.db2.gz SPMZBLXWKJGSIU-UHFFFAOYSA-N 1 0 422.956 4.900 40 0 HJABRO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000223793454 568559390 /nfs/dbraw/zinc/55/93/90/568559390.db2.gz PPHRLSRKYMLRDE-UHFFFAOYSA-N 1 0 414.977 4.871 40 0 HJABRO Cc1cc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc(C)c1Cl ZINC000224614417 568588273 /nfs/dbraw/zinc/58/82/73/568588273.db2.gz OTBMADSHEQNFRE-GOSISDBHSA-N 1 0 400.950 4.636 40 0 HJABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682769 568592144 /nfs/dbraw/zinc/59/21/44/568592144.db2.gz ZHBIIKMQYPHPSH-JOCHJYFZSA-N 1 0 400.950 4.800 40 0 HJABRO O=C(COc1ccc(Cl)cc1Cl)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224805727 568597564 /nfs/dbraw/zinc/59/75/64/568597564.db2.gz UUZPDEACTCXVMI-UHFFFAOYSA-N 1 0 407.341 4.675 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)CC2)c1 ZINC000225166002 568619854 /nfs/dbraw/zinc/61/98/54/568619854.db2.gz DLTICJUVTBVQFR-UHFFFAOYSA-N 1 0 423.582 4.803 40 0 HJABRO CC1CC[NH+](CCCNC(=S)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000225436388 568637822 /nfs/dbraw/zinc/63/78/22/568637822.db2.gz DOCREHRLJVODBS-UHFFFAOYSA-N 1 0 404.805 4.511 40 0 HJABRO Cc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CCOCC2)cc1 ZINC000225568920 568652094 /nfs/dbraw/zinc/65/20/94/568652094.db2.gz PSFBUDMKAMEUQH-UHFFFAOYSA-N 1 0 422.569 4.547 40 0 HJABRO CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(Br)cc1F ZINC000225582553 568654078 /nfs/dbraw/zinc/65/40/78/568654078.db2.gz XNMQYJOPXGUFGE-AWEZNQCLSA-N 1 0 402.377 4.529 40 0 HJABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@@H]2C)cc1)C1CC1 ZINC000225672914 568662719 /nfs/dbraw/zinc/66/27/19/568662719.db2.gz MYVNTALTXNSVKF-YADARESESA-N 1 0 402.579 4.864 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225715518 568666929 /nfs/dbraw/zinc/66/69/29/568666929.db2.gz UXCNADATRPJALY-GBXCKJPGSA-N 1 0 402.579 4.865 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC(C)CC1 ZINC000225720286 568667803 /nfs/dbraw/zinc/66/78/03/568667803.db2.gz ZAGTXMRRVPGXPW-ITGJCUMNSA-N 1 0 402.579 4.721 40 0 HJABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225734534 568669136 /nfs/dbraw/zinc/66/91/36/568669136.db2.gz UPZPSJMZKCTHIM-DEOSSOPVSA-N 1 0 404.595 4.967 40 0 HJABRO COc1ccc([C@H]2C[C@@H](NC(C)=O)CC3(CCCCC3)O2)cc1C[NH+]1CCCCC1 ZINC000257217936 568781256 /nfs/dbraw/zinc/78/12/56/568781256.db2.gz DBEPACHNRFTYNT-ISKFKSNPSA-N 1 0 414.590 4.740 40 0 HJABRO COc1cccc2cc(C[N@@H+]3CC[C@@H]4[C@H]3CCCC(=O)N4Cc3ccccc3)oc21 ZINC000257251984 568790940 /nfs/dbraw/zinc/79/09/40/568790940.db2.gz JTCZKFLBKVCFRA-FGZHOGPDSA-N 1 0 404.510 4.597 40 0 HJABRO CCn1cc(C[N@@H+]2CC[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)c(C)n1 ZINC000257258780 568792426 /nfs/dbraw/zinc/79/24/26/568792426.db2.gz KVMNTDDNIHGAED-GOSISDBHSA-N 1 0 410.591 4.721 40 0 HJABRO CC(C)C[C@@H]1[C@H](Nc2ccccc2)CCC[N@@H+]1Cc1ccc(S(C)(=O)=O)cc1 ZINC000257293595 568802757 /nfs/dbraw/zinc/80/27/57/568802757.db2.gz QQHZCYAPIXBZJQ-DHIUTWEWSA-N 1 0 400.588 4.581 40 0 HJABRO COc1c(C)cccc1C(=O)N1CC[C@@H](c2cc(Nc3nccs3)cc(C)[nH+]2)C1 ZINC000257334336 568814337 /nfs/dbraw/zinc/81/43/37/568814337.db2.gz YFLRYUQJWSYLPT-MRXNPFEDSA-N 1 0 408.527 4.537 40 0 HJABRO COc1ccc(F)cc1-c1ccc2nc([C@H]3CCC[N@H+](Cc4ccoc4)C3)nn2c1 ZINC000306134300 568896350 /nfs/dbraw/zinc/89/63/50/568896350.db2.gz NIJKOVCAXMHYHE-SFHVURJKSA-N 1 0 406.461 4.517 40 0 HJABRO C[NH+](C)CCCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1 ZINC000009943257 568939664 /nfs/dbraw/zinc/93/96/64/568939664.db2.gz XYAWOWOTPNLDDZ-UHFFFAOYSA-N 1 0 408.523 4.776 40 0 HJABRO COc1cc2c(cc1OC)CN(c1cc(NCc3ccccc3)[nH+]c(C(C)C)n1)CC2 ZINC000328970725 568970467 /nfs/dbraw/zinc/97/04/67/568970467.db2.gz DLOPPQFWFPZEQW-UHFFFAOYSA-N 1 0 418.541 4.792 40 0 HJABRO CCc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329020412 568973134 /nfs/dbraw/zinc/97/31/34/568973134.db2.gz OCGGNPSJHFROIM-UHFFFAOYSA-N 1 0 406.452 4.855 40 0 HJABRO Cc1ccccc1C[N@H+]1CCC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)N(C)C)C1 ZINC000057775224 569053706 /nfs/dbraw/zinc/05/37/06/569053706.db2.gz WJPKVEDRSGHVDO-AREMUKBSSA-N 1 0 417.553 4.563 40 0 HJABRO O=C(NC[C@H](c1cccc2ccccc21)[NH+]1CCCC1)c1ccc(Br)o1 ZINC000010330587 569311688 /nfs/dbraw/zinc/31/16/88/569311688.db2.gz MJRRSNQOIVJKEO-GOSISDBHSA-N 1 0 413.315 4.762 40 0 HJABRO COc1ccccc1OCc1cc([C@H]2CC[N@H+](Cc3cccc4ncccc34)C2)n[nH]1 ZINC000019704358 569347720 /nfs/dbraw/zinc/34/77/20/569347720.db2.gz KJSYWQVRJBIKGW-IBGZPJMESA-N 1 0 414.509 4.535 40 0 HJABRO CC[N@H+](Cc1ccnn1C)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 ZINC000019711995 569348290 /nfs/dbraw/zinc/34/82/90/569348290.db2.gz PEKTVYRKJCGWGR-WIOPSUGQSA-N 1 0 405.542 4.838 40 0 HJABRO CC[C@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856871 569352067 /nfs/dbraw/zinc/35/20/67/569352067.db2.gz IEYUBCLSROTVNP-AVRDEDQJSA-N 1 0 410.558 4.817 40 0 HJABRO CCc1cc(C(=O)CCC[NH+]2CCC(O)(c3ccc(Cl)cc3)CC2)ccc1F ZINC000077292337 569391289 /nfs/dbraw/zinc/39/12/89/569391289.db2.gz QITPBBUJMSLKPO-UHFFFAOYSA-N 1 0 403.925 4.988 40 0 in-vitro HJABRO CCc1ncc(C[NH2+]C[C@H]2CC[C@H](c3c4ccccc4sc3C(=O)NC)CC2)cn1 ZINC000257243377 569397876 /nfs/dbraw/zinc/39/78/76/569397876.db2.gz IGQWZGFASVVWQR-SAABIXHNSA-N 1 0 422.598 4.677 40 0 HJABRO CC1=C[C@@H](C[NH+]2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 ZINC000030882792 291274246 /nfs/dbraw/zinc/27/42/46/291274246.db2.gz VSLICPOURRGUDU-FUDKSRODSA-N 1 0 409.574 4.590 40 0 biogenic,in-vitro HJABRO Cc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH+]4CCN(C)CC4)C=C3C)o2)cc1 ZINC000030883119 291274250 /nfs/dbraw/zinc/27/42/50/291274250.db2.gz OPSSFJQTOFGNKS-HJOGWXRNSA-N 1 0 422.617 4.690 40 0 biogenic,in-vitro HJABRO CCCOc1ccccc1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044851577 520474163 /nfs/dbraw/zinc/47/41/63/520474163.db2.gz STOZYGMIZDUBAA-QFIPXVFZSA-N 1 0 412.549 4.576 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1Cl ZINC000044939890 521490528 /nfs/dbraw/zinc/49/05/28/521490528.db2.gz ACIXMBDGCNJSNW-UHFFFAOYSA-N 1 0 418.896 4.507 40 0 HJABRO CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936086 522495715 /nfs/dbraw/zinc/49/57/15/522495715.db2.gz YEPDFOQGCJUBHX-KNQAVFIVSA-N 1 0 400.950 4.828 40 0 HJABRO Cc1cccc(-n2cccc2C[N@H+](CCCn2ccnc2)Cc2cccc(F)c2)n1 ZINC000043277730 524144073 /nfs/dbraw/zinc/14/40/73/524144073.db2.gz CVMMTRJPDXJNAM-UHFFFAOYSA-N 1 0 403.505 4.609 40 0 HJABRO Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000044852672 525310315 /nfs/dbraw/zinc/31/03/15/525310315.db2.gz DIICXXXABWXOGN-NRFANRHFSA-N 1 0 414.549 4.751 40 0 HJABRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875029 525940336 /nfs/dbraw/zinc/94/03/36/525940336.db2.gz HYZFLLQDTAYDHF-FQEVSTJZSA-N 1 0 402.538 4.909 40 0 HJABRO COc1ccc(CC[NH2+]Cc2cccc(OC)c2OCc2ccccc2)cc1OC ZINC000008495501 557793458 /nfs/dbraw/zinc/79/34/58/557793458.db2.gz BOECEZZECKMSSA-UHFFFAOYSA-N 1 0 407.510 4.624 40 0 HJABRO Cc1nc([C@@H]2CCCC[N@@H+]2C2CCCCC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019753228 558272464 /nfs/dbraw/zinc/27/24/64/558272464.db2.gz NEYYCNVZNQPTCJ-QFIPXVFZSA-N 1 0 410.537 4.714 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000012408203 558399105 /nfs/dbraw/zinc/39/91/05/558399105.db2.gz JUNUIEZXUONSIU-TZIWHRDSSA-N 1 0 409.530 4.666 40 0 HJABRO CCCCOc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1C(C)(C)C ZINC000027823536 558683776 /nfs/dbraw/zinc/68/37/76/558683776.db2.gz PFDIMJRDNXHGTL-UHFFFAOYSA-N 1 0 424.651 4.751 40 0 HJABRO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039761019 558685536 /nfs/dbraw/zinc/68/55/36/558685536.db2.gz KIGOCYKEQSSMMP-UHFFFAOYSA-N 1 0 405.369 4.954 40 0 HJABRO CCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039752354 558687116 /nfs/dbraw/zinc/68/71/16/558687116.db2.gz LSBNTHJPIAERBD-UHFFFAOYSA-N 1 0 414.977 4.700 40 0 HJABRO O=C(Nc1ccccc1Br)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039757453 558688782 /nfs/dbraw/zinc/68/87/82/558688782.db2.gz WCWWWHCKHKYUEA-UHFFFAOYSA-N 1 0 407.739 4.953 40 0 HJABRO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000039757799 558689342 /nfs/dbraw/zinc/68/93/42/558689342.db2.gz AIGDGWVLIGARQN-UHFFFAOYSA-N 1 0 412.505 4.633 40 0 HJABRO CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030942600 558745541 /nfs/dbraw/zinc/74/55/41/558745541.db2.gz VJBAUPXKCCKQSD-UHFFFAOYSA-N 1 0 407.558 4.843 40 0 HJABRO Cc1cc(-c2snnc2[C@@H]2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)on1 ZINC000019120763 558843032 /nfs/dbraw/zinc/84/30/32/558843032.db2.gz JQFMAJPPJDUKPS-CQSZACIVSA-N 1 0 408.449 4.900 40 0 HJABRO COc1ccc(C[N@H+](Cc2ccc(C)c(C)c2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019213911 558849485 /nfs/dbraw/zinc/84/94/85/558849485.db2.gz ZEZWBGLBMDPEFD-ZEQKJWHPSA-N 1 0 420.553 4.868 40 0 HJABRO Cc1ccc2[nH]cc([C@@H](O)C[NH+]3CCC4(CC3)CC(=O)c3cc(C)c(C)cc3O4)c2c1 ZINC000019220528 558851634 /nfs/dbraw/zinc/85/16/34/558851634.db2.gz QOYMUANNAVJMRM-DEOSSOPVSA-N 1 0 418.537 4.627 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019236861 558856086 /nfs/dbraw/zinc/85/60/86/558856086.db2.gz RLPNGMULMKPSHG-RUZDIDTESA-N 1 0 417.528 4.912 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019236827 558856188 /nfs/dbraw/zinc/85/61/88/558856188.db2.gz MHGQPPKWKXRZQY-SQJMNOBHSA-N 1 0 417.528 4.912 40 0 HJABRO O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019334336 558869567 /nfs/dbraw/zinc/86/95/67/558869567.db2.gz XJAJYJRANRJRSO-ACRUOGEOSA-N 1 0 400.975 4.628 40 0 HJABRO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccnc3)CC[C@H]21 ZINC000019339235 558870836 /nfs/dbraw/zinc/87/08/36/558870836.db2.gz BYAYABHHAZSUBO-DNVJHFABSA-N 1 0 409.599 4.540 40 0 HJABRO O=C(NC1CCCCC1)c1cc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019347029 558873834 /nfs/dbraw/zinc/87/38/34/558873834.db2.gz RZKHVGLOGKBUMP-FQEVSTJZSA-N 1 0 418.541 4.665 40 0 HJABRO O=C(NC1CC[NH+](C[C@H](c2ccccc2)C2CCCCC2)CC1)c1[nH]ncc1Cl ZINC000019369236 558877766 /nfs/dbraw/zinc/87/77/66/558877766.db2.gz LPXYLNCGFLCOQI-HXUWFJFHSA-N 1 0 414.981 4.621 40 0 HJABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019376082 558882221 /nfs/dbraw/zinc/88/22/21/558882221.db2.gz BHBOGBVOYMTWLL-LJQANCHMSA-N 1 0 418.541 4.665 40 0 HJABRO O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019400283 558882893 /nfs/dbraw/zinc/88/28/93/558882893.db2.gz WZBZAVUFTCXYGC-LSQMVHIFSA-N 1 0 421.560 4.731 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000019400590 558883050 /nfs/dbraw/zinc/88/30/50/558883050.db2.gz POCFLAXVMYQDQM-GBXCKJPGSA-N 1 0 421.491 4.743 40 0 HJABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1)c1cccs1 ZINC000019400851 558883413 /nfs/dbraw/zinc/88/34/13/558883413.db2.gz DGYCQQJONPHGGS-QFIPXVFZSA-N 1 0 409.530 4.666 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449584 558887994 /nfs/dbraw/zinc/88/79/94/558887994.db2.gz KYSQRYIBQSQXQT-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449600 558888064 /nfs/dbraw/zinc/88/80/64/558888064.db2.gz JNQPRHOUNYYZGN-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)Nc1ncc(-c2cccnc2)c(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000019450336 558888901 /nfs/dbraw/zinc/88/89/01/558888901.db2.gz MUGWSLAVMJIESA-UHFFFAOYSA-N 1 0 405.521 4.878 40 0 HJABRO CC(C)Oc1cccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019450832 558889107 /nfs/dbraw/zinc/88/91/07/558889107.db2.gz AXHOXKJVIUYWDT-DEOSSOPVSA-N 1 0 423.601 4.984 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000019568914 558928116 /nfs/dbraw/zinc/92/81/16/558928116.db2.gz IZRJIWHUCBMYPR-OAHLLOKOSA-N 1 0 405.420 4.938 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccc(F)c1 ZINC000072330501 558934794 /nfs/dbraw/zinc/93/47/94/558934794.db2.gz VFWHJSAJTQKKPG-YKSBVNFPSA-N 1 0 421.491 4.743 40 0 HJABRO Cc1nc([C@H]2CCCC[N@@H+]2CCc2ccccc2)ncc1C(=O)Nc1ccccc1F ZINC000072345448 558941938 /nfs/dbraw/zinc/94/19/38/558941938.db2.gz QJMPRDXRGBQFPK-HSZRJFAPSA-N 1 0 418.516 4.946 40 0 HJABRO Cc1nc([C@H]2CCCC[N@@H+]2CCCc2ccccc2)ncc1C(=O)N1CCCCC1 ZINC000072345530 558942010 /nfs/dbraw/zinc/94/20/10/558942010.db2.gz REKURFZSWBLZCI-HSZRJFAPSA-N 1 0 406.574 4.571 40 0 HJABRO COc1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000072346264 558943194 /nfs/dbraw/zinc/94/31/94/558943194.db2.gz MGASDUBDTOFMPG-HXUWFJFHSA-N 1 0 413.525 4.595 40 0 HJABRO Cn1cc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c2ccccc21 ZINC000072394591 558973569 /nfs/dbraw/zinc/97/35/69/558973569.db2.gz ULMVAMLVVYGRTH-NRFANRHFSA-N 1 0 424.614 4.750 40 0 HJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000072399248 558976847 /nfs/dbraw/zinc/97/68/47/558976847.db2.gz NBYORGZCXSFJBM-RUZDIDTESA-N 1 0 409.549 4.871 40 0 HJABRO Cc1noc(C)c1CN1C(=O)CC[C@@]12CCC[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000585099799 559024393 /nfs/dbraw/zinc/02/43/93/559024393.db2.gz BFDZBABCENNJJE-RUZDIDTESA-N 1 0 409.574 4.962 40 0 HJABRO CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CC[NH+](Cc2ccncc2)CC1 ZINC000585166481 559066919 /nfs/dbraw/zinc/06/69/19/559066919.db2.gz FJUALROBHYUXGJ-UHFFFAOYSA-N 1 0 413.565 4.662 40 0 HJABRO COc1ccc(C[NH+]2CCC3(C[C@@H](CC(=O)NCC4CC4)c4ccccc43)CC2)cc1 ZINC000096052676 559092316 /nfs/dbraw/zinc/09/23/16/559092316.db2.gz SLZZWDNVAGFQER-JOCHJYFZSA-N 1 0 418.581 4.633 40 0 HJABRO CC(C)NC(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053322 559093198 /nfs/dbraw/zinc/09/31/98/559093198.db2.gz ZPTLLRIXELKUQQ-FQEVSTJZSA-N 1 0 410.533 4.641 40 0 HJABRO CCN(CC[NH+](C)C)C(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc32)s1 ZINC000096154517 559099002 /nfs/dbraw/zinc/09/90/02/559099002.db2.gz TVTRKYZGWFAQEE-UHFFFAOYSA-N 1 0 420.538 4.642 40 0 HJABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3cccnc3)CC1)nc2-c1cccnc1 ZINC000096267182 559107939 /nfs/dbraw/zinc/10/79/39/559107939.db2.gz BWKRVGMUPILUPX-UHFFFAOYSA-N 1 0 412.541 4.849 40 0 HJABRO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000096627142 559111720 /nfs/dbraw/zinc/11/17/20/559111720.db2.gz KSADTDJAKGKPIJ-KRWDZBQOSA-N 1 0 410.867 4.887 40 0 HJABRO CC1CC[NH+](C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070615 559272791 /nfs/dbraw/zinc/27/27/91/559272791.db2.gz CRNHTLFDMHDABQ-NRFANRHFSA-N 1 0 405.623 4.770 40 0 HJABRO COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2Cc2ccccc2Cl)ccc1O ZINC000007065530 560206562 /nfs/dbraw/zinc/20/65/62/560206562.db2.gz YQITXDDUZAGSSZ-LEOXJPRUSA-N 1 0 401.934 4.923 40 0 biogenic,in-vitro HJABRO C[N@H+]1[C@@H]2CC[C@H]1CC(N(CCc1c[nH]c3ccccc13)C(=O)c1ccc(F)cc1)C2 ZINC000004866528 560614155 /nfs/dbraw/zinc/61/41/55/560614155.db2.gz GMBUNTAZLAYQLS-CBQGHPETSA-N 1 0 405.517 4.617 40 0 HJABRO O=C(c1cc2sccc2n1Cc1ccccc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000004970968 560622435 /nfs/dbraw/zinc/62/24/35/560622435.db2.gz NZFMCBAYPNREKV-UHFFFAOYSA-N 1 0 407.583 4.842 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260577927 560870559 /nfs/dbraw/zinc/87/05/59/560870559.db2.gz PKURWUSWWPZKCX-MBSDFSHPSA-N 1 0 422.569 4.959 40 0 HJABRO CCc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000020192290 560885684 /nfs/dbraw/zinc/88/56/84/560885684.db2.gz NLHNAFQMEUFEJE-AREMUKBSSA-N 1 0 404.598 4.942 40 0 HJABRO CCOc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCC2)cc1 ZINC000006870361 568462911 /nfs/dbraw/zinc/46/29/11/568462911.db2.gz QARMSZOQFNBFAD-UHFFFAOYSA-N 1 0 402.441 4.958 40 0 HJABRO C[NH+]1CCC(Oc2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2)CC1 ZINC000218988992 568485675 /nfs/dbraw/zinc/48/56/75/568485675.db2.gz KZRVUQLWDFXCEQ-UHFFFAOYSA-N 1 0 416.521 4.991 40 0 HJABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000219239375 568488247 /nfs/dbraw/zinc/48/82/47/568488247.db2.gz IEYUBCLSROTVNP-XMSQKQJNSA-N 1 0 410.558 4.817 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000219238763 568488401 /nfs/dbraw/zinc/48/84/01/568488401.db2.gz PKURWUSWWPZKCX-JPYJTQIMSA-N 1 0 422.569 4.959 40 0 HJABRO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccccc1Cl ZINC000057561411 568492721 /nfs/dbraw/zinc/49/27/21/568492721.db2.gz MULYHHMYXYORMP-UHFFFAOYSA-N 1 0 405.929 4.915 40 0 HJABRO CC[N@@H+]1CCC[C@H]1CN(Cc1cccnc1)Cc1ccc(OC2CCCC2)c(OC)c1 ZINC000022931898 568500760 /nfs/dbraw/zinc/50/07/60/568500760.db2.gz NNBDWDGNSHBVGR-QHCPKHFHSA-N 1 0 423.601 4.898 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3nnc(-c4ccc(C)cc4)s3)CC2)cc1 ZINC000222988007 568533353 /nfs/dbraw/zinc/53/33/53/568533353.db2.gz GFQQODRVEAQHHW-UHFFFAOYSA-N 1 0 406.555 4.673 40 0 HJABRO CC(C)CSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)s1 ZINC000223285298 568544070 /nfs/dbraw/zinc/54/40/70/568544070.db2.gz ZXBBEWJFRCQPFW-OAHLLOKOSA-N 1 0 404.605 4.770 40 0 HJABRO COc1ccc(CN2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1OCc1ccccc1 ZINC000224086650 568569332 /nfs/dbraw/zinc/56/93/32/568569332.db2.gz ZZVRTZNHXPQCIY-ICDZXHCJSA-N 1 0 418.581 4.604 40 0 HJABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000224160011 568571966 /nfs/dbraw/zinc/57/19/66/568571966.db2.gz NFBGSJSNVXREAX-QGZVFWFLSA-N 1 0 400.950 4.689 40 0 HJABRO Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccc(F)cc4)C3)s2)cc1 ZINC000224727033 568593815 /nfs/dbraw/zinc/59/38/15/568593815.db2.gz UVHUXBYOZKLUNR-GOSISDBHSA-N 1 0 410.518 4.503 40 0 HJABRO Cc1cc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)cc(C)c1Cl ZINC000224831124 568599070 /nfs/dbraw/zinc/59/90/70/568599070.db2.gz UDNBWQLMPAHZRX-UHFFFAOYSA-N 1 0 400.950 4.638 40 0 HJABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836885 568599271 /nfs/dbraw/zinc/59/92/71/568599271.db2.gz FPKUJEPGQBJETA-OAQYLSRUSA-N 1 0 400.950 4.800 40 0 HJABRO CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)cc2I)cc1 ZINC000225024356 568609682 /nfs/dbraw/zinc/60/96/82/568609682.db2.gz UXGLQWGMODESEK-UHFFFAOYSA-N 1 0 422.310 4.694 40 0 HJABRO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000225238928 568625194 /nfs/dbraw/zinc/62/51/94/568625194.db2.gz CMEZKCNMBPUYEC-UHFFFAOYSA-N 1 0 412.946 4.709 40 0 HJABRO CC(C)CSc1nnc(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)s1 ZINC000225622905 568657801 /nfs/dbraw/zinc/65/78/01/568657801.db2.gz YLVVYZHCVXFGKS-UHFFFAOYSA-N 1 0 404.605 4.915 40 0 HJABRO CO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225635694 568659076 /nfs/dbraw/zinc/65/90/76/568659076.db2.gz NIUCCHZYCQURBK-FIXDAVPBSA-N 1 0 402.579 4.577 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC(C)CC1 ZINC000225720463 568667758 /nfs/dbraw/zinc/66/77/58/568667758.db2.gz AHSFQXQRZWIFSQ-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812500 568739952 /nfs/dbraw/zinc/73/99/52/568739952.db2.gz DGVTZKMVEXOKIA-UPUUWEMXSA-N 1 0 416.606 4.967 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@H](C)C3)cc2)CCC(C)CC1 ZINC000260818241 568740566 /nfs/dbraw/zinc/74/05/66/568740566.db2.gz ZAGTXMRRVPGXPW-VIHQBZHPSA-N 1 0 402.579 4.721 40 0 HJABRO CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816968 568740598 /nfs/dbraw/zinc/74/05/98/568740598.db2.gz SQVMYWLVQCQDPP-RDPSFJRHSA-N 1 0 404.595 4.967 40 0 HJABRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]23)cc1 ZINC000257210101 568779132 /nfs/dbraw/zinc/77/91/32/568779132.db2.gz BTEJJIOTVYGXDO-HJOGWXRNSA-N 1 0 422.569 4.920 40 0 HJABRO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH2+]Cc2cnn(C)c2)CC1 ZINC000257211182 568779342 /nfs/dbraw/zinc/77/93/42/568779342.db2.gz BXUDHVMRFWGASI-UAPYVXQJSA-N 1 0 424.614 4.837 40 0 HJABRO CC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(Cl)c(F)c2)[NH2+]1 ZINC000257297885 568803673 /nfs/dbraw/zinc/80/36/73/568803673.db2.gz RJEURSCGRKNECG-CCKFTAQKSA-N 1 0 420.960 4.532 40 0 HJABRO CC(C)n1nccc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)[C@H]2Cc1ccccc1 ZINC000257313616 568808432 /nfs/dbraw/zinc/80/84/32/568808432.db2.gz UTJCESUCDICFCU-TYUWDEHNSA-N 1 0 420.601 4.553 40 0 HJABRO COc1ccc(Nc2cc(C)nc([C@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319431 568810212 /nfs/dbraw/zinc/81/02/12/568810212.db2.gz VSNFKOHYEHFZON-IBGZPJMESA-N 1 0 417.557 4.593 40 0 HJABRO Cc1ncc(C[N@@H+]2CC[C@@H](c3cc(COc4cccc(C(F)(F)F)c4)[nH]n3)C2)s1 ZINC000257321912 568811068 /nfs/dbraw/zinc/81/10/68/568811068.db2.gz WDVGHAOBAOBDRU-CQSZACIVSA-N 1 0 422.476 4.762 40 0 HJABRO O=S1(=O)N(Cc2ccccc2)c2ccccc2C12CC[NH+](Cc1ccsc1)CC2 ZINC000306142856 568904593 /nfs/dbraw/zinc/90/45/93/568904593.db2.gz XMPCWFNXUYGYJW-UHFFFAOYSA-N 1 0 424.591 4.589 40 0 HJABRO CCCCC[NH+](CCCCC)C[C@H](C)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000006264159 568936567 /nfs/dbraw/zinc/93/65/67/568936567.db2.gz ITJXMCCGGULMMX-SFHVURJKSA-N 1 0 423.001 4.979 40 0 HJABRO COc1ccc(OC)c([C@H](O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000248148383 569316494 /nfs/dbraw/zinc/31/64/94/569316494.db2.gz UNYKOJHHYVKMAP-UTKZUKDTSA-N 1 0 401.553 4.508 40 0 HJABRO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCC[N@H+](Cc4ccncc4C)C3)cc2N1 ZINC000253602796 569318373 /nfs/dbraw/zinc/31/83/73/569318373.db2.gz RWCYJNURQPBREZ-SCTDSRPQSA-N 1 0 407.484 4.664 40 0 HJABRO O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000009062807 569342258 /nfs/dbraw/zinc/34/22/58/569342258.db2.gz SBRWVKJJHLQVNE-UHFFFAOYSA-N 1 0 419.569 4.600 40 0 HJABRO O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010433938 569344384 /nfs/dbraw/zinc/34/43/84/569344384.db2.gz KYWLPTYQYICOGL-UHFFFAOYSA-N 1 0 419.569 4.987 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c1 ZINC000019565055 569345669 /nfs/dbraw/zinc/34/56/69/569345669.db2.gz KRJQTASYDODNQU-AUSIDOKSSA-N 1 0 421.566 4.535 40 0 HJABRO C[C@@H]([C@H]1[C@H](O)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)[C@H]1CC[C@@H](C)C[NH2+]1 ZINC000070691657 569413465 /nfs/dbraw/zinc/41/34/65/569413465.db2.gz IRRHFODGOMSPEE-DGIAWFMJSA-N 1 0 415.662 4.921 40 0 biogenic HJABRO CC[C@@H](C)Nc1nc(N2CCc3ccc(Br)cc3C2)cc(C(C)C)[nH+]1 ZINC000329025621 571309074 /nfs/dbraw/zinc/30/90/74/571309074.db2.gz PGTKAAYYWXBXMT-CQSZACIVSA-N 1 0 403.368 5.136 40 0 HJABRO Fc1ccc(-c2noc([C@@H]3CCCN3Cc3ccc(-c4ccccn4)cc3)n2)nc1 ZINC000049155425 291279993 /nfs/dbraw/zinc/27/99/93/291279993.db2.gz WMGYALSBKJMRMU-NRFANRHFSA-N 1 0 401.445 4.670 40 0 biogenic,in-vitro HJABRO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3cccnc3)CC2)o1 ZINC000012089605 132353795 /nfs/dbraw/zinc/35/37/95/132353795.db2.gz PDANRJHWMXIYOU-BVZFJXPGSA-N 1 0 423.532 4.520 40 0 HJABRO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000072358519 519735303 /nfs/dbraw/zinc/73/53/03/519735303.db2.gz GZYCWOMNHLCFQU-JOCHJYFZSA-N 1 0 400.526 4.524 40 0 HJABRO CCCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225662810 520276500 /nfs/dbraw/zinc/27/65/00/520276500.db2.gz UBNRRRAXCYOQDU-RDPSFJRHSA-N 1 0 402.579 4.865 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4cc(C)ccc43)CC2)c1 ZINC000044855374 524387296 /nfs/dbraw/zinc/38/72/96/524387296.db2.gz FLBDHGNGJGWXPA-QHCPKHFHSA-N 1 0 406.570 4.934 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044855703 525553663 /nfs/dbraw/zinc/55/36/63/525553663.db2.gz HJCPXZIHEVEYFU-QFIPXVFZSA-N 1 0 408.542 4.713 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000044855710 525554055 /nfs/dbraw/zinc/55/40/55/525554055.db2.gz APEOVFFJERCWAE-QHCPKHFHSA-N 1 0 422.569 4.959 40 0 HJABRO c1ccc(-c2ccc(C[NH2+]CCCSc3nnnn3-c3ccccc3)cc2)cc1 ZINC000007541388 557746300 /nfs/dbraw/zinc/74/63/00/557746300.db2.gz LSSNGEOTBQBOQZ-UHFFFAOYSA-N 1 0 401.539 4.601 40 0 HJABRO COc1cc(C[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008535055 557794252 /nfs/dbraw/zinc/79/42/52/557794252.db2.gz DYCBZWDWXUIEPR-LLVKDONJSA-N 1 0 404.721 4.705 40 0 HJABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000012329403 558384056 /nfs/dbraw/zinc/38/40/56/558384056.db2.gz XSZJQOXYYOOJBR-DQEYMECFSA-N 1 0 415.533 4.738 40 0 HJABRO Cc1ccccc1CSCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039767490 558686106 /nfs/dbraw/zinc/68/61/06/558686106.db2.gz NRJHIPAHNNPEAO-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030943373 558745977 /nfs/dbraw/zinc/74/59/77/558745977.db2.gz YRRDLXLCYHIDRG-HXUWFJFHSA-N 1 0 412.505 4.633 40 0 HJABRO CCOc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@@H]32)cc1 ZINC000033714161 558771048 /nfs/dbraw/zinc/77/10/48/558771048.db2.gz DXSWMNINNXBTCY-TWRVUUBYSA-N 1 0 411.615 4.677 40 0 HJABRO Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H](O)CO[C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000035083549 558788204 /nfs/dbraw/zinc/78/82/04/558788204.db2.gz WWJTXTCUTDBECO-ZZSVKSCCSA-N 1 0 423.041 4.609 40 0 HJABRO COc1ccccc1CN(C)C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000038755239 558814408 /nfs/dbraw/zinc/81/44/08/558814408.db2.gz JHSMPOLSAOSVFL-UHFFFAOYSA-N 1 0 400.522 4.526 40 0 HJABRO CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 ZINC000038756127 558814811 /nfs/dbraw/zinc/81/48/11/558814811.db2.gz HLQJGHUKZBGIMZ-MRXNPFEDSA-N 1 0 402.560 4.665 40 0 HJABRO CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000038855162 558819227 /nfs/dbraw/zinc/81/92/27/558819227.db2.gz HQAKIRIWUYZWEW-UHFFFAOYSA-N 1 0 407.558 4.701 40 0 HJABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000019081943 558839977 /nfs/dbraw/zinc/83/99/77/558839977.db2.gz GOQUGZPRCNEZDO-HYBUGGRVSA-N 1 0 416.569 4.745 40 0 HJABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000019081941 558840028 /nfs/dbraw/zinc/84/00/28/558840028.db2.gz GOQUGZPRCNEZDO-YKSBVNFPSA-N 1 0 416.569 4.745 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000019236825 558855873 /nfs/dbraw/zinc/85/58/73/558855873.db2.gz MHGQPPKWKXRZQY-PXDATVDWSA-N 1 0 417.528 4.912 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019236840 558856108 /nfs/dbraw/zinc/85/61/08/558856108.db2.gz VCDXCLFDGWAWMW-PXDATVDWSA-N 1 0 417.528 4.912 40 0 HJABRO O=C(Nc1ccc(CC[NH+]2CCCCCC2)cc1)c1cccc(Cn2ccnc2)c1 ZINC000019293293 558864940 /nfs/dbraw/zinc/86/49/40/558864940.db2.gz QWJFIKNIPIVCHJ-UHFFFAOYSA-N 1 0 402.542 4.602 40 0 HJABRO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1)c1cccc(F)c1 ZINC000019400844 558883379 /nfs/dbraw/zinc/88/33/79/558883379.db2.gz MNJAPJJMZRCIER-DEOSSOPVSA-N 1 0 421.491 4.743 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449574 558888010 /nfs/dbraw/zinc/88/80/10/558888010.db2.gz SWKAUBCPIPOALM-HHHXNRCGSA-N 1 0 413.565 4.708 40 0 HJABRO COc1ccc2c(c1)c(C[NH+]1CCC(O)(c3ccccc3OC)CC1)cn2C(C)C ZINC000019454790 558891485 /nfs/dbraw/zinc/89/14/85/558891485.db2.gz ZEAWTMUBUPQNEU-UHFFFAOYSA-N 1 0 408.542 4.723 40 0 HJABRO CC(C)n1cc(C[N@@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2ccccc21 ZINC000019454817 558891535 /nfs/dbraw/zinc/89/15/35/558891535.db2.gz VYXMWUNUNVXWOY-BKMJKUGQSA-N 1 0 416.569 4.646 40 0 HJABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4ccccc4Cl)C3)no2)CC1 ZINC000019496760 558895759 /nfs/dbraw/zinc/89/57/59/558895759.db2.gz AXTQJAJKVWKLGU-GOSISDBHSA-N 1 0 401.938 4.580 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)c(OC)c1 ZINC000019564336 558924513 /nfs/dbraw/zinc/92/45/13/558924513.db2.gz QDCHAYJSGDNBIY-AWEZNQCLSA-N 1 0 417.456 4.866 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000072330402 558934513 /nfs/dbraw/zinc/93/45/13/558934513.db2.gz MIDQHRPLLIVPRJ-GCJKJVERSA-N 1 0 409.530 4.666 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 ZINC000072330413 558934543 /nfs/dbraw/zinc/93/45/43/558934543.db2.gz PAWMKIITWCDBRX-XXBNENTESA-N 1 0 421.566 4.535 40 0 HJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000072330443 558934726 /nfs/dbraw/zinc/93/47/26/558934726.db2.gz GVMOOXRARZPCAJ-OFVILXPXSA-N 1 0 409.549 4.871 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 ZINC000072330444 558934856 /nfs/dbraw/zinc/93/48/56/558934856.db2.gz ABLIGMZVMXTMTD-NVQXNPDNSA-N 1 0 421.585 4.740 40 0 HJABRO CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3cc(C)c(C)cc3[nH]2)o1 ZINC000072346805 558943506 /nfs/dbraw/zinc/94/35/06/558943506.db2.gz GCAGXXGQIUQWFK-OAQYLSRUSA-N 1 0 408.546 4.982 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000072352447 558948752 /nfs/dbraw/zinc/94/87/52/558948752.db2.gz YYQLRBMNZHLZGM-KRWDZBQOSA-N 1 0 401.535 4.799 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1CO ZINC000072353205 558949997 /nfs/dbraw/zinc/94/99/97/558949997.db2.gz SBXGEVZEQWFCDI-QHCPKHFHSA-N 1 0 418.541 4.757 40 0 HJABRO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CCC[C@H]1Cc1c2ccccc2sc1C(N)=O ZINC000072370312 558956767 /nfs/dbraw/zinc/95/67/67/558956767.db2.gz TVADSVYPSZBPQB-KRWDZBQOSA-N 1 0 410.587 4.602 40 0 HJABRO CC(C)c1ncc(C[N@@H+]2CCCCC[C@H]2Cc2c3ccccc3sc2C(N)=O)cn1 ZINC000072370686 558957211 /nfs/dbraw/zinc/95/72/11/558957211.db2.gz ODSUCYABPLGIQE-SFHVURJKSA-N 1 0 422.598 4.901 40 0 HJABRO Cc1ccccc1Cc1ccc(C2CCN(C(=O)CC[C@@H](C)[NH+]3CCCC3)CC2)nc1 ZINC000019690403 558959882 /nfs/dbraw/zinc/95/98/82/558959882.db2.gz ZCGOZWOXMATMRQ-JOCHJYFZSA-N 1 0 419.613 4.951 40 0 HJABRO COCc1cc(C[N@@H+]2CCC[C@@H]2c2ccc(-c3cnn(C)c3)cn2)ccc1OC(C)C ZINC000072374116 558961499 /nfs/dbraw/zinc/96/14/99/558961499.db2.gz FYSDGIAADJVPTM-XMMPIXPASA-N 1 0 420.557 4.753 40 0 HJABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)c(C)c1C ZINC000072375803 558964862 /nfs/dbraw/zinc/96/48/62/558964862.db2.gz KOENEJMFAVVVIA-OAQYLSRUSA-N 1 0 403.530 4.886 40 0 HJABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 ZINC000072376049 558965175 /nfs/dbraw/zinc/96/51/75/558965175.db2.gz RGOGEKNNPFBWHA-OAQYLSRUSA-N 1 0 415.541 4.867 40 0 HJABRO COc1ccc(OC)c(C[N@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1 ZINC000072395088 558973820 /nfs/dbraw/zinc/97/38/20/558973820.db2.gz LRKQGXPLCYJSSX-GBXCKJPGSA-N 1 0 421.541 4.809 40 0 HJABRO CCC(=O)N1CCC[C@H](c2[nH]c3ncccc3c2C[N@H+](C)C[C@@H](C)c2ccccc2)C1 ZINC000072395284 558974144 /nfs/dbraw/zinc/97/41/44/558974144.db2.gz PAQLLIFNTBUBHQ-CTNGQTDRSA-N 1 0 418.585 4.914 40 0 HJABRO Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000019718278 558981371 /nfs/dbraw/zinc/98/13/71/558981371.db2.gz MQWBCGSSQFPJFY-UHFFFAOYSA-N 1 0 409.917 4.829 40 0 HJABRO Cc1noc(C)c1CN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C(C)C)cc1)CC2 ZINC000585099800 559024399 /nfs/dbraw/zinc/02/43/99/559024399.db2.gz BFDZBABCENNJJE-VWLOTQADSA-N 1 0 409.574 4.962 40 0 HJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053205 559093117 /nfs/dbraw/zinc/09/31/17/559093117.db2.gz WCHFIPJZPSQRNP-LJQANCHMSA-N 1 0 410.583 4.662 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)c2ccccc2O3)s1 ZINC000096053217 559093123 /nfs/dbraw/zinc/09/31/23/559093123.db2.gz FVMNEOFYOQXFAR-FQEVSTJZSA-N 1 0 424.610 4.970 40 0 HJABRO c1nc(Nc2cccc(C[C@@H]3COC4(C3)CC[NH2+]CC4)n2)sc1-c1ccccc1 ZINC000585263250 559111884 /nfs/dbraw/zinc/11/18/84/559111884.db2.gz SEWVAALNYXQSGL-KRWDZBQOSA-N 1 0 406.555 4.650 40 0 HJABRO CC(C)(C)[C@H]1CC[C@](O)(C[NH+]2CCC(O)(COc3cccc(Cl)c3)CC2)CC1 ZINC000585286741 559122083 /nfs/dbraw/zinc/12/20/83/559122083.db2.gz IFOQAKRPXBCFDH-CXGRPWHSSA-N 1 0 409.998 4.513 40 0 HJABRO CCc1cc(C(=O)c2ccc(Br)cc2)c(NC(=O)CN(CC)CC)s1 ZINC000013503405 560812479 /nfs/dbraw/zinc/81/24/79/560812479.db2.gz BHSRRSSPLRUDNV-UHFFFAOYSA-N 1 0 423.376 4.584 40 0 HJABRO CCOc1ccc(CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OC ZINC000216471616 568465573 /nfs/dbraw/zinc/46/55/73/568465573.db2.gz HHWYUWLANUBSKK-HXUWFJFHSA-N 1 0 424.585 4.688 40 0 HJABRO CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000223036372 568535119 /nfs/dbraw/zinc/53/51/19/568535119.db2.gz UXOOPVZRGCHCFE-JOCHJYFZSA-N 1 0 416.949 4.918 40 0 HJABRO C[NH+]1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)cc3F)cc2)CC1 ZINC000223751427 568558078 /nfs/dbraw/zinc/55/80/78/568558078.db2.gz XADJTHOPNIGMFV-UHFFFAOYSA-N 1 0 422.953 4.824 40 0 HJABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1Cl ZINC000224159938 568571953 /nfs/dbraw/zinc/57/19/53/568571953.db2.gz LOPORFXACRBDFM-UHFFFAOYSA-N 1 0 400.950 4.689 40 0 HJABRO Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224391820 568580034 /nfs/dbraw/zinc/58/00/34/568580034.db2.gz GHXUMOPQFCWOSF-YADHBBJMSA-N 1 0 415.497 4.584 40 0 HJABRO CC[C@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000224624564 568588892 /nfs/dbraw/zinc/58/88/92/568588892.db2.gz PPIUMELDMIYZQD-DEOSSOPVSA-N 1 0 402.538 4.909 40 0 HJABRO O=C(CSCc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224645452 568590393 /nfs/dbraw/zinc/59/03/93/568590393.db2.gz BSMPRXUDZBYXSX-UHFFFAOYSA-N 1 0 402.991 4.876 40 0 HJABRO CCn1c2ccc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)cc2sc1=O ZINC000225105240 568614825 /nfs/dbraw/zinc/61/48/25/568614825.db2.gz IFXCXNIPKZQYBO-UHFFFAOYSA-N 1 0 409.555 4.567 40 0 HJABRO FC(F)(F)Oc1cccc(NC(=S)NC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000225231523 568624841 /nfs/dbraw/zinc/62/48/41/568624841.db2.gz ICQUPLLGFSLKIM-UHFFFAOYSA-N 1 0 415.506 4.598 40 0 HJABRO COC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCCCC1 ZINC000225630766 568658522 /nfs/dbraw/zinc/65/85/22/568658522.db2.gz LAIWDOQICIXCTR-BGYRXZFFSA-N 1 0 402.579 4.721 40 0 HJABRO COC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC(C)CC1 ZINC000225640962 568659167 /nfs/dbraw/zinc/65/91/67/568659167.db2.gz PRKKASLBYUFVRH-VIHQBZHPSA-N 1 0 402.579 4.864 40 0 HJABRO COC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 ZINC000225640512 568659199 /nfs/dbraw/zinc/65/91/99/568659199.db2.gz RSVIQMZCZKDQAI-UDYWXPHVSA-N 1 0 402.579 4.577 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCC1 ZINC000225655212 568660529 /nfs/dbraw/zinc/66/05/29/568660529.db2.gz MGECJCHULUSPJF-HXUWFJFHSA-N 1 0 402.579 4.865 40 0 HJABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000225672777 568662781 /nfs/dbraw/zinc/66/27/81/568662781.db2.gz BCCSOHMEODAIIP-XMMPIXPASA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCC[C@@H](C)C1 ZINC000225715088 568666901 /nfs/dbraw/zinc/66/69/01/568666901.db2.gz GMQQFSBSJNCBED-HYBUGGRVSA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812501 568739964 /nfs/dbraw/zinc/73/99/64/568739964.db2.gz DGVTZKMVEXOKIA-UWHHFBIGSA-N 1 0 416.606 4.967 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260812572 568739969 /nfs/dbraw/zinc/73/99/69/568739969.db2.gz GWWAIPLRLWPOJE-DCLXLUIPSA-N 1 0 402.579 4.721 40 0 HJABRO CN(C(=O)C[N@@H+]1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)C1CCCCC1 ZINC000257218992 568781623 /nfs/dbraw/zinc/78/16/23/568781623.db2.gz DFEOHUWDHRGJKZ-JOCHJYFZSA-N 1 0 423.576 4.782 40 0 HJABRO Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000257239547 568787359 /nfs/dbraw/zinc/78/73/59/568787359.db2.gz HPURMOUZYUNYRC-SFHVURJKSA-N 1 0 422.554 4.602 40 0 HJABRO Cc1ccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)c4cnc(C)cn4)C3)c2)cc1 ZINC000257257115 568792151 /nfs/dbraw/zinc/79/21/51/568792151.db2.gz KODICGCZQMNFKE-IBGZPJMESA-N 1 0 401.514 4.560 40 0 HJABRO Cc1cc(C)nc(Nc2cncc(C3CC[NH+](Cc4ccc(C)c(C)c4)CC3)n2)n1 ZINC000257283980 568799556 /nfs/dbraw/zinc/79/95/56/568799556.db2.gz PATHQFBMAQEPOC-UHFFFAOYSA-N 1 0 402.546 4.623 40 0 HJABRO COc1ccc(C[NH+]2CCC(Cc3ccccc3-c3ccccc3)(C(N)=O)CC2)cc1 ZINC000257284183 568799664 /nfs/dbraw/zinc/79/96/64/568799664.db2.gz PBOKPJMYXYHWOY-UHFFFAOYSA-N 1 0 414.549 4.672 40 0 HJABRO Cc1nc(Cc2ccccc2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257286692 568800366 /nfs/dbraw/zinc/80/03/66/568800366.db2.gz PMPGSEWXSGVSGU-CMCWBKRRSA-N 1 0 409.599 4.520 40 0 HJABRO CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CC[NH+](Cc4cncnc4)CC3)C[C@@H]21 ZINC000257342632 568816889 /nfs/dbraw/zinc/81/68/89/568816889.db2.gz ZPMQBZHROUZMHE-PZJWPPBQSA-N 1 0 413.949 4.661 40 0 HJABRO CCOc1ccc([C@]2(O)CN(c3cccc(C(F)(F)F)c3)C3=[N+]2CCCCC3)cc1 ZINC000015230862 568820978 /nfs/dbraw/zinc/82/09/78/568820978.db2.gz IEOKOTNTQXTDGS-JOCHJYFZSA-N 1 0 419.467 4.754 40 0 HJABRO CC(C)n1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccs5)cn4n3)C2)cn1 ZINC000306127447 568890189 /nfs/dbraw/zinc/89/01/89/568890189.db2.gz FYTKSXZBOUFSAW-LJQANCHMSA-N 1 0 406.559 4.615 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000006595702 568937041 /nfs/dbraw/zinc/93/70/41/568937041.db2.gz AVGUOYKVSMTJDN-VWLOTQADSA-N 1 0 420.597 4.779 40 0 HJABRO CC(C)c1nc(N2CCc3cc([C@@H](C)O)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000329015931 568972872 /nfs/dbraw/zinc/97/28/72/568972872.db2.gz NEBWKVGRMFEKQV-GOSISDBHSA-N 1 0 402.542 4.828 40 0 HJABRO CCc1cc(N2CCc3ccc(Br)cc3C2)nc(NC2CCCC2)[nH+]1 ZINC000329062261 568975117 /nfs/dbraw/zinc/97/51/17/568975117.db2.gz WWCOKXRXZKACEO-UHFFFAOYSA-N 1 0 401.352 4.719 40 0 HJABRO Cc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000329065780 568975260 /nfs/dbraw/zinc/97/52/60/568975260.db2.gz XURMKUUTSKITGF-UHFFFAOYSA-N 1 0 414.431 4.858 40 0 HJABRO CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@@H]([NH+]5CCCCC5)C(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012660436 569040218 /nfs/dbraw/zinc/04/02/18/569040218.db2.gz QZQARKHEFRUGSK-BXWCCMRUSA-N 1 0 415.618 4.994 40 0 HJABRO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257199092 569059043 /nfs/dbraw/zinc/05/90/43/569059043.db2.gz SCPFIOQUNAJIQW-MZAVPQGISA-N 1 0 417.597 4.912 40 0 HJABRO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCC[N@@H+]3C[C@H]3CCOC3)nn21 ZINC000247663417 569315515 /nfs/dbraw/zinc/31/55/15/569315515.db2.gz UQQTWWUFYFFZMD-CZUORRHYSA-N 1 0 422.476 4.650 40 0 HJABRO Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1cc[nH+]cc1 ZINC000006962594 569336307 /nfs/dbraw/zinc/33/63/07/569336307.db2.gz KRNXGGZQHCWASL-CIAFOILYSA-N 1 0 414.490 4.597 40 0 HJABRO O=C(NCCSCc1cccc(Cl)c1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000009063575 569342402 /nfs/dbraw/zinc/34/24/02/569342402.db2.gz AMKFQGSHSQJJQH-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)ccc1Br ZINC000009063583 569342438 /nfs/dbraw/zinc/34/24/38/569342438.db2.gz YXEGOTGGJRNUDN-UHFFFAOYSA-N 1 0 405.311 4.747 40 0 HJABRO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1 ZINC000019450622 569345380 /nfs/dbraw/zinc/34/53/80/569345380.db2.gz DNRLMGSKDNJJNY-ZJSXRUAMSA-N 1 0 423.601 4.984 40 0 HJABRO Fc1ccc(OCc2cc([C@@H]3CC[N@H+](Cc4ccc5ncccc5c4)C3)n[nH]2)cc1 ZINC000019704545 569347650 /nfs/dbraw/zinc/34/76/50/569347650.db2.gz VEEMCFDGLUKKES-LJQANCHMSA-N 1 0 402.473 4.666 40 0 HJABRO Cc1nc([C@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019705446 569347947 /nfs/dbraw/zinc/34/79/47/569347947.db2.gz SUOYXELUEFGFAM-QFIPXVFZSA-N 1 0 424.557 4.681 40 0 HJABRO Cc1nc(C2CC[NH+](Cc3cccc(F)c3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763949 569348958 /nfs/dbraw/zinc/34/89/58/569348958.db2.gz CIUUPNVNYHCQDI-UHFFFAOYSA-N 1 0 422.479 4.695 40 0 HJABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044855363 569351949 /nfs/dbraw/zinc/35/19/49/569351949.db2.gz DXYWFGYPDCIKGT-UGKGYDQZSA-N 1 0 410.533 4.765 40 0 HJABRO CC(C)c1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000328984117 571306470 /nfs/dbraw/zinc/30/64/70/571306470.db2.gz HLJHFUPPCDIXOM-UHFFFAOYSA-N 1 0 420.479 5.416 40 0 HJABRO CC[C@@H](C)Nc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(C(C)C)[nH+]1 ZINC000328975456 571309138 /nfs/dbraw/zinc/30/91/38/571309138.db2.gz FKQRHEJKTZMIKY-CQSZACIVSA-N 1 0 408.468 5.272 40 0 HJABRO CC[C@H](C)Nc1nc(N2CCc3cc(OC(F)(F)F)ccc3C2)cc(C(C)C)[nH+]1 ZINC000329032256 571309532 /nfs/dbraw/zinc/30/95/32/571309532.db2.gz QNVRHCXPVOOBDQ-AWEZNQCLSA-N 1 0 408.468 5.272 40 0 HJABRO CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@H+](Cc3ccccc3)C2)cc1 ZINC000020503437 575369915 /nfs/dbraw/zinc/36/99/15/575369915.db2.gz QYRWDYKYRUSFSO-PZJWPPBQSA-N 1 0 402.563 4.857 40 0 biogenic,in-vitro HJABRO COc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(-c5ccccn5)cc4)C3)o2)cc1 ZINC000049170166 291277121 /nfs/dbraw/zinc/27/71/21/291277121.db2.gz RVSUKVKZRLGCQK-NRFANRHFSA-N 1 0 412.493 4.797 40 0 biogenic,in-vitro HJABRO COCC[NH2+]C[C@@H]1C=C(C)[C@H](Cc2nnc(-c3ccccc3F)o2)C[C@H]1C(C)C ZINC000030883430 291276223 /nfs/dbraw/zinc/27/62/23/291276223.db2.gz OBIQXIRRHQDAIV-BJLQDIEVSA-N 1 0 401.526 4.509 40 0 biogenic,in-vitro HJABRO Cc1ccc([C@@H](C)CC[NH+]2CCN(c3c(F)cccc3[C@H](O)c3cccnc3)CC2)o1 ZINC000012089607 132353991 /nfs/dbraw/zinc/35/39/91/132353991.db2.gz PDANRJHWMXIYOU-AVRWGWEMSA-N 1 0 423.532 4.520 40 0 HJABRO CCOc1ccc(CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044851380 520947804 /nfs/dbraw/zinc/94/78/04/520947804.db2.gz CWKGPUWWWGWFCJ-NRFANRHFSA-N 1 0 414.977 4.700 40 0 HJABRO Cc1cc(C)c(-n2cccn2)c(C[N@H+](CCCn2ccnc2)Cc2ccc(F)cc2)c1 ZINC000043277685 524211240 /nfs/dbraw/zinc/21/12/40/524211240.db2.gz HWYCLVLJWIXDTD-UHFFFAOYSA-N 1 0 417.532 4.917 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)N[C@H]3CC(C)(C)Oc4ccc(C)cc43)CC2)c1 ZINC000044855224 524387253 /nfs/dbraw/zinc/38/72/53/524387253.db2.gz VFNCRMDPGCTCTQ-QHCPKHFHSA-N 1 0 406.570 4.934 40 0 HJABRO COc1ccc2c(c1)[C@@H](NC(=O)C1CC[NH+](Cc3ccccc3C)CC1)CC(C)(C)O2 ZINC000044855518 525574863 /nfs/dbraw/zinc/57/48/63/525574863.db2.gz GXMGFBPQCLLQNL-QHCPKHFHSA-N 1 0 422.569 4.634 40 0 HJABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875034 525934599 /nfs/dbraw/zinc/93/45/99/525934599.db2.gz HYZFLLQDTAYDHF-HXUWFJFHSA-N 1 0 402.538 4.909 40 0 HJABRO Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000044855395 526173860 /nfs/dbraw/zinc/17/38/60/526173860.db2.gz QYTYYMPSURVJOR-QFIPXVFZSA-N 1 0 410.533 4.765 40 0 HJABRO Cc1noc(C)c1C(=O)NC1CC[NH+](CC2(c3ccc(C)cc3)CCCCC2)CC1 ZINC000072393567 526471063 /nfs/dbraw/zinc/47/10/63/526471063.db2.gz QNAXEJWTTWHDSX-UHFFFAOYSA-N 1 0 409.574 4.696 40 0 HJABRO Nc1ncc(-c2cccc(F)c2)c([C@@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000072346262 527562282 /nfs/dbraw/zinc/56/22/82/527562282.db2.gz XKDBJHDMBWXGLR-LJQANCHMSA-N 1 0 401.489 4.726 40 0 HJABRO CC[NH+](CC)CCN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231257 557530683 /nfs/dbraw/zinc/53/06/83/557530683.db2.gz VBSHHLSLUWGRPE-UHFFFAOYSA-N 1 0 420.557 4.521 40 0 HJABRO Fc1ccc(COc2ccc(Br)cc2C[NH2+]Cc2cccnc2)cc1 ZINC000008419373 557787458 /nfs/dbraw/zinc/78/74/58/557787458.db2.gz ALTQFFQDNVELJV-UHFFFAOYSA-N 1 0 401.279 4.852 40 0 HJABRO O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010329206 557860422 /nfs/dbraw/zinc/86/04/22/557860422.db2.gz BQUZUCZKZIANPM-UHFFFAOYSA-N 1 0 405.542 4.597 40 0 HJABRO Cc1nc([C@@H]2CCC[N@@H+]2C2CCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 ZINC000019743118 558263608 /nfs/dbraw/zinc/26/36/08/558263608.db2.gz UTNGFMUNJHAGQH-QFIPXVFZSA-N 1 0 422.548 4.873 40 0 HJABRO Cc1nc([C@H]2CCC[N@@H+]2CCCc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019753521 558272848 /nfs/dbraw/zinc/27/28/48/558272848.db2.gz XWWMXFKFGWDFJF-HSZRJFAPSA-N 1 0 400.526 4.807 40 0 HJABRO COc1ccccc1-c1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc1 ZINC000012089081 558323643 /nfs/dbraw/zinc/32/36/43/558323643.db2.gz SDJJTVJNJWBLPG-APBVPVKBSA-N 1 0 414.549 4.877 40 0 HJABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012293478 558366455 /nfs/dbraw/zinc/36/64/55/558366455.db2.gz KAJQPPIXJILCML-RPWUZVMVSA-N 1 0 403.522 4.532 40 0 HJABRO Cc1cc2c(cc1C)[C@H](O)CC1(CC[NH+](C[C@H](O)c3ccc4ccccc4c3)CC1)O2 ZINC000012293600 558366763 /nfs/dbraw/zinc/36/67/63/558366763.db2.gz IVUFUDXYAVTLJF-RPBOFIJWSA-N 1 0 417.549 4.841 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccccc1 ZINC000012408207 558399177 /nfs/dbraw/zinc/39/91/77/558399177.db2.gz RRXVUHBFJQNFRY-TZIWHRDSSA-N 1 0 409.530 4.666 40 0 HJABRO COc1cc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(OC)cc1Cl ZINC000030942771 558745890 /nfs/dbraw/zinc/74/58/90/558745890.db2.gz FTCSHUHMYMGXQE-HNNXBMFYSA-N 1 0 402.922 4.841 40 0 HJABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@H]2CCCO2)cc1 ZINC000016401775 558790186 /nfs/dbraw/zinc/79/01/86/558790186.db2.gz CAPYPTYHWAKBQX-GOSISDBHSA-N 1 0 410.739 4.950 40 0 HJABRO CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc12 ZINC000013564676 558843746 /nfs/dbraw/zinc/84/37/46/558843746.db2.gz BFIHLBQYECDQQC-UHFFFAOYSA-N 1 0 420.944 4.955 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019236812 558855890 /nfs/dbraw/zinc/85/58/90/558855890.db2.gz XOXJGZHJMGRMII-WRALFONMSA-N 1 0 403.570 4.929 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2cccs2)C1 ZINC000019449619 558888241 /nfs/dbraw/zinc/88/82/41/558888241.db2.gz JCJHGZRDGGXCMW-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4ccncc4C)C3)cc2N1 ZINC000019500879 558898741 /nfs/dbraw/zinc/89/87/41/558898741.db2.gz RWCYJNURQPBREZ-ZIFCJYIRSA-N 1 0 407.484 4.664 40 0 HJABRO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@H+](Cc2cccc(C)n2)C1 ZINC000019522018 558903167 /nfs/dbraw/zinc/90/31/67/558903167.db2.gz XUTPVSYHSFFMKW-AWEZNQCLSA-N 1 0 404.436 4.887 40 0 HJABRO CCOc1ccc(C[N@H+](Cc2ccc(F)cc2)[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 ZINC000019533173 558912974 /nfs/dbraw/zinc/91/29/74/558912974.db2.gz JXPFKQKYDLYRDO-PXDATVDWSA-N 1 0 424.516 4.781 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000019568917 558928099 /nfs/dbraw/zinc/92/80/99/558928099.db2.gz IZRJIWHUCBMYPR-HNNXBMFYSA-N 1 0 405.420 4.938 40 0 HJABRO Cc1cc(C(F)(F)F)c2c(n1)onc2C1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000019569113 558928266 /nfs/dbraw/zinc/92/82/66/558928266.db2.gz HLSNUGQSPSMAKD-UHFFFAOYSA-N 1 0 421.467 4.950 40 0 HJABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(C)c1C ZINC000019577306 558933190 /nfs/dbraw/zinc/93/31/90/558933190.db2.gz DVERTLDTQPTTPZ-XMMPIXPASA-N 1 0 423.601 4.823 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330408 558934539 /nfs/dbraw/zinc/93/45/39/558934539.db2.gz BFNRFIIFQPRIMC-CVDCTZTESA-N 1 0 421.566 4.535 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000072341441 558939719 /nfs/dbraw/zinc/93/97/19/558939719.db2.gz MHLJWTHDLJMNJQ-IRLDBZIGSA-N 1 0 421.566 4.535 40 0 HJABRO COc1ccc(-c2cnc(N)nc2[C@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)cc1 ZINC000072346265 558943176 /nfs/dbraw/zinc/94/31/76/558943176.db2.gz MGASDUBDTOFMPG-FQEVSTJZSA-N 1 0 413.525 4.595 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000072358132 558953869 /nfs/dbraw/zinc/95/38/69/558953869.db2.gz DVAYMWBIQPAICT-OAQYLSRUSA-N 1 0 400.448 4.762 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncccn3)n2)c2cc(F)ccc21 ZINC000072375752 558964610 /nfs/dbraw/zinc/96/46/10/558964610.db2.gz IYRWMIWPMHDKCN-NRFANRHFSA-N 1 0 402.477 4.583 40 0 HJABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC[C@@H](Cc2cccc3cccnc32)C1 ZINC000257281251 558999512 /nfs/dbraw/zinc/99/95/12/558999512.db2.gz OOHZBGBYKKOHPS-NRFANRHFSA-N 1 0 413.565 4.926 40 0 HJABRO O=C1CC[C@@]2(CCC[N@H+](Cc3ccc4c(c3)CCC4)CC2)N1Cc1ccc(F)cc1 ZINC000585100760 559023757 /nfs/dbraw/zinc/02/37/57/559023757.db2.gz VRWXQWLPYZHLJJ-AREMUKBSSA-N 1 0 406.545 4.862 40 0 HJABRO O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCC[N@@H+]2C[C@H]2CCCO2)CC1 ZINC000585100116 559023801 /nfs/dbraw/zinc/02/38/01/559023801.db2.gz FZISPMPHDNIOLO-ATIYNZHBSA-N 1 0 423.601 4.517 40 0 HJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053473 559093536 /nfs/dbraw/zinc/09/35/36/559093536.db2.gz NBYLPEYVDGTPQM-NRFANRHFSA-N 1 0 424.560 4.985 40 0 HJABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)[N@H+]2C[C@H](C)CC[C@@H]12 ZINC000118915636 559205525 /nfs/dbraw/zinc/20/55/25/559205525.db2.gz AANKDJLVHZQCFG-IAGDTALCSA-N 1 0 413.646 4.626 40 0 in-vitro HJABRO OCc1ccccc1C[N@H+](Cc1ccccc1)Cc1cccc(OC[C@@H]2CCCO2)c1 ZINC000257339335 559283479 /nfs/dbraw/zinc/28/34/79/559283479.db2.gz ZBHAIMAPXREVAP-MHZLTWQESA-N 1 0 417.549 4.939 40 0 HJABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3ccc(F)cc3)n2)cc1 ZINC000004169388 560602402 /nfs/dbraw/zinc/60/24/02/560602402.db2.gz IRGOFJGWCYKNET-UHFFFAOYSA-N 1 0 413.518 4.556 40 0 HJABRO Cc1cc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c2ccccc2[nH+]1 ZINC000016268858 560859643 /nfs/dbraw/zinc/85/96/43/560859643.db2.gz MAOABBQFKFDTPL-UHFFFAOYSA-N 1 0 400.309 4.812 40 0 HJABRO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]54C)[C@H]3C[N@@H+]2C1 ZINC000108235054 560898523 /nfs/dbraw/zinc/89/85/23/560898523.db2.gz NEMWYOKGHGSVSC-GKRMQQBDSA-N 1 0 415.662 4.563 40 0 biogenic HJABRO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@@H+]3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 ZINC000219238672 568488399 /nfs/dbraw/zinc/48/83/99/568488399.db2.gz RLBRFBLRJFYDAH-JPYJTQIMSA-N 1 0 422.569 4.959 40 0 HJABRO C[NH+]1CCN(c2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000222734511 568525174 /nfs/dbraw/zinc/52/51/74/568525174.db2.gz ZRSDVTRORRPDJN-UHFFFAOYSA-N 1 0 424.397 4.617 40 0 HJABRO CC1CC[NH+](Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)CC1 ZINC000223618783 568553543 /nfs/dbraw/zinc/55/35/43/568553543.db2.gz SAHFQYJBSDEUCW-UHFFFAOYSA-N 1 0 402.538 4.881 40 0 HJABRO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000223625595 568553714 /nfs/dbraw/zinc/55/37/14/568553714.db2.gz IRIRLRCVYLVLBQ-UHFFFAOYSA-N 1 0 422.956 4.900 40 0 HJABRO O=C(NCCOc1ccc2ccccc2c1)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000223625678 568553767 /nfs/dbraw/zinc/55/37/67/568553767.db2.gz OQYOHZYWIYJVEK-UHFFFAOYSA-N 1 0 422.956 4.900 40 0 HJABRO Cc1ccc(C)c(OCCNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c1 ZINC000223979436 568565142 /nfs/dbraw/zinc/56/51/42/568565142.db2.gz LVDWXZUEYWVCPH-UHFFFAOYSA-N 1 0 414.549 4.671 40 0 HJABRO Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1Cl ZINC000224849659 568600190 /nfs/dbraw/zinc/60/01/90/568600190.db2.gz SYTKFFZFNPJUGP-SFHVURJKSA-N 1 0 400.950 4.718 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225636805 568659009 /nfs/dbraw/zinc/65/90/09/568659009.db2.gz AQBCKUTUANEWKK-HYBUGGRVSA-N 1 0 402.579 4.865 40 0 HJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225688945 568664620 /nfs/dbraw/zinc/66/46/20/568664620.db2.gz XEQZWZBCQYAAAV-REHUZNOOSA-N 1 0 404.595 4.823 40 0 HJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225738836 568669888 /nfs/dbraw/zinc/66/98/88/568669888.db2.gz HOFCTQOZOSTGMY-YOSAUDMPSA-N 1 0 404.595 4.967 40 0 HJABRO O=C(NCCC[NH+]1CCCCCC1)c1cccc(OCc2ccccc2Cl)c1 ZINC000225777899 568673775 /nfs/dbraw/zinc/67/37/75/568673775.db2.gz LIUNLSKOYQGTHY-UHFFFAOYSA-N 1 0 400.950 4.915 40 0 HJABRO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@H](C)C2)cc1)C1CC1 ZINC000260814621 568740111 /nfs/dbraw/zinc/74/01/11/568740111.db2.gz LNRVPQDYNMRIBY-CYFREDJKSA-N 1 0 402.579 4.721 40 0 HJABRO CCCO[C@@](C)(C(=O)Nc1ccc(OCCC[N@@H+]2CCCC[C@H]2C)cc1)C1CC1 ZINC000260814740 568740124 /nfs/dbraw/zinc/74/01/24/568740124.db2.gz MYVNTALTXNSVKF-NTKDMRAZSA-N 1 0 402.579 4.864 40 0 HJABRO CCN(CC)c1cc(C2CC[NH+](Cc3ccccc3F)CC2)nc(-c2cccnc2)n1 ZINC000257226297 568783868 /nfs/dbraw/zinc/78/38/68/568783868.db2.gz FKAKFTAGNVHNMD-UHFFFAOYSA-N 1 0 419.548 4.904 40 0 HJABRO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)COc4ccccc4)C3)c2)s1 ZINC000257268707 568795175 /nfs/dbraw/zinc/79/51/75/568795175.db2.gz MMVPDYKUSITGMA-SFHVURJKSA-N 1 0 422.554 4.684 40 0 HJABRO CN1C(=O)CCC[C@H]2C[N@@H+](Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@H]21 ZINC000257282459 568799057 /nfs/dbraw/zinc/79/90/57/568799057.db2.gz OTVNNLYKYVESCC-SIKLNZKXSA-N 1 0 412.961 4.752 40 0 HJABRO COc1cccc(C[NH+]2CCC3(CC2)Oc2c(OC)cccc2[C@H]2OCCC[C@@H]23)c1 ZINC000257296991 568803596 /nfs/dbraw/zinc/80/35/96/568803596.db2.gz RFHQVLBYMBDMFA-JTHBVZDNSA-N 1 0 409.526 4.599 40 0 HJABRO CCCOc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2C(=O)N2CCCCCC2)C1 ZINC000257310765 568807581 /nfs/dbraw/zinc/80/75/81/568807581.db2.gz UGLNYQQGGCSYEI-NRFANRHFSA-N 1 0 424.589 4.594 40 0 HJABRO Cc1ncc(C[N@@H+]2CC[C@H](c3cc(COc4cccc(C(F)(F)F)c4)[nH]n3)C2)s1 ZINC000257321911 568811018 /nfs/dbraw/zinc/81/10/18/568811018.db2.gz WDVGHAOBAOBDRU-AWEZNQCLSA-N 1 0 422.476 4.762 40 0 HJABRO COc1cc(C)ccc1C[NH+]1CCC(c2cncc(Nc3cccc(C)n3)n2)CC1 ZINC000257334007 568814238 /nfs/dbraw/zinc/81/42/38/568814238.db2.gz YECXBGHHXWNQIV-UHFFFAOYSA-N 1 0 403.530 4.620 40 0 HJABRO CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)NCC[NH+](C)C)cc2[C@@H]2O[C@H](C)CC[C@H]21 ZINC000257334072 568814478 /nfs/dbraw/zinc/81/44/78/568814478.db2.gz YEKCUGOSBYISGN-XHYJFUKLSA-N 1 0 414.590 4.732 40 0 HJABRO Cc1cc(N2CCc3ccc(OC(F)(F)F)cc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329016858 568972804 /nfs/dbraw/zinc/97/28/04/568972804.db2.gz NIYQSLCKCNJILD-UHFFFAOYSA-N 1 0 406.452 4.991 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000247503126 569315359 /nfs/dbraw/zinc/31/53/59/569315359.db2.gz QOWLDWRIHCBQLS-ZYKOEDHHSA-N 1 0 407.533 4.760 40 0 HJABRO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)c1 ZINC000248148386 569316500 /nfs/dbraw/zinc/31/65/00/569316500.db2.gz UNYKOJHHYVKMAP-UWJYYQICSA-N 1 0 401.553 4.508 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2F)CC1 ZINC000009062956 569342244 /nfs/dbraw/zinc/34/22/44/569342244.db2.gz IJIABSZQFTXAHK-UHFFFAOYSA-N 1 0 405.311 4.747 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(C(=O)NCCSCc2ccccc2Cl)CC1 ZINC000009062890 569342277 /nfs/dbraw/zinc/34/22/77/569342277.db2.gz WTXPCEDPSXBHBM-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO O=C(Nc1cccc(Br)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000009063276 569342392 /nfs/dbraw/zinc/34/23/92/569342392.db2.gz YMRPPHRACMQTRE-UHFFFAOYSA-N 1 0 407.739 4.953 40 0 HJABRO COc1ccc(OCc2sc([C@]3(O)CCC[N@H+](CC(C)(C)C)CC3)nc2C)cc1 ZINC000019705277 569347878 /nfs/dbraw/zinc/34/78/78/569347878.db2.gz ZLDZQMCAMRNOQI-QHCPKHFHSA-N 1 0 418.603 4.759 40 0 HJABRO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1CCOc1ccc(F)cc1 ZINC000019705443 569347976 /nfs/dbraw/zinc/34/79/76/569347976.db2.gz LIGQEHHEFSYMRR-JOCHJYFZSA-N 1 0 406.567 4.542 40 0 HJABRO Cc1nc([C@@]2(O)CCC[N@@H+](CC(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019705447 569348020 /nfs/dbraw/zinc/34/80/20/569348020.db2.gz SUOYXELUEFGFAM-JOCHJYFZSA-N 1 0 424.557 4.681 40 0 HJABRO O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241804 569349642 /nfs/dbraw/zinc/34/96/42/569349642.db2.gz KJXVBLUYWSULFY-UHFFFAOYSA-N 1 0 419.956 4.910 40 0 HJABRO Cc1ccccc1N1CC[NH+](CCCOC(=O)Nc2cccc3ccccc32)CC1 ZINC000004823081 132289815 /nfs/dbraw/zinc/28/98/15/132289815.db2.gz AWBREZKDIPFTBT-UHFFFAOYSA-N 1 0 403.526 4.909 40 0 HJABRO CC(C)Oc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000044916178 519782626 /nfs/dbraw/zinc/78/26/26/519782626.db2.gz XWQKAXQSNJJUAK-UHFFFAOYSA-N 1 0 412.549 4.574 40 0 HJABRO CC1(C)C[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918112 520520274 /nfs/dbraw/zinc/52/02/74/520520274.db2.gz DVBXOJVCDQKCPK-WIYYLYMNSA-N 1 0 412.961 4.971 40 0 HJABRO CC1(C)C[C@H](NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c2ccccc2O1 ZINC000044918365 520547698 /nfs/dbraw/zinc/54/76/98/520547698.db2.gz YPCPQEQKPMZCLM-NRFANRHFSA-N 1 0 412.961 4.971 40 0 HJABRO COc1ccc2c(c1)N[C@]1(COC3(C1)CC[NH+](Cc1ccccc1)CC3)c1cccn1-2 ZINC000072327200 525552661 /nfs/dbraw/zinc/55/26/61/525552661.db2.gz XMVCQKULBDXKHK-AREMUKBSSA-N 1 0 415.537 4.562 40 0 HJABRO COc1ccc2nc(C[N@H+](CCCn3ccnc3)Cc3cccc(F)c3)ccc2c1 ZINC000043277710 525665351 /nfs/dbraw/zinc/66/53/51/525665351.db2.gz PPYROLHYEYAUCV-UHFFFAOYSA-N 1 0 404.489 4.672 40 0 HJABRO O=C(NCCCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044906341 526272092 /nfs/dbraw/zinc/27/20/92/526272092.db2.gz GHRVXQLNSALGTD-IBGZPJMESA-N 1 0 405.369 4.954 40 0 HJABRO CC[NH+](CC)CCOC(=O)Cc1cccc2c(=O)cc(-c3ccc(Cl)cc3)oc12 ZINC000001584261 557274174 /nfs/dbraw/zinc/27/41/74/557274174.db2.gz CAEJDQUPSRTFRW-UHFFFAOYSA-N 1 0 413.901 4.541 40 0 HJABRO CCOc1cccc(N(CC[NH+](C)C)C(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000001758901 557285426 /nfs/dbraw/zinc/28/54/26/557285426.db2.gz XBPVJHVQSKSPCJ-UHFFFAOYSA-N 1 0 402.538 4.812 40 0 HJABRO COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000006646894 557711879 /nfs/dbraw/zinc/71/18/79/557711879.db2.gz WNGZXVPVJKFSML-IZZDOVSWSA-N 1 0 415.331 4.705 40 0 HJABRO Cc1nn(-c2ccccn2)c2nc([C@@H]3CCC[N@H+]3Cc3cn(C)c4ccccc34)ccc12 ZINC000019742440 558262651 /nfs/dbraw/zinc/26/26/51/558262651.db2.gz VIOUIUHXGRQTQE-DEOSSOPVSA-N 1 0 422.536 4.953 40 0 HJABRO COCc1cc(C[N@@H+]2CCC[C@H](c3ccc4c(C)nn(C)c4n3)C2)ccc1OC(C)C ZINC000019742509 558263018 /nfs/dbraw/zinc/26/30/18/558263018.db2.gz YXCXPUAYPZSVCG-FQEVSTJZSA-N 1 0 422.573 4.590 40 0 HJABRO Cc1nc([C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753202 558272506 /nfs/dbraw/zinc/27/25/06/558272506.db2.gz CVVBBSGWZFXDSW-KRWDZBQOSA-N 1 0 424.907 4.819 40 0 HJABRO C[C@H](CC[NH+]1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1)c1ccccc1 ZINC000019756416 558274338 /nfs/dbraw/zinc/27/43/38/558274338.db2.gz KURIZYXCGMBHIL-HXUWFJFHSA-N 1 0 422.617 4.541 40 0 HJABRO OC1(Cn2c(C(F)(F)F)cc3cccnc32)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000012236366 558358783 /nfs/dbraw/zinc/35/87/83/558358783.db2.gz PVOPHKLDYOOJHV-UHFFFAOYSA-N 1 0 423.866 4.736 40 0 HJABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012293482 558366417 /nfs/dbraw/zinc/36/64/17/558366417.db2.gz KAJQPPIXJILCML-DNQXCXABSA-N 1 0 403.522 4.532 40 0 HJABRO CC(C)(C)c1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2cc(F)ccc2O3)cc1 ZINC000012293568 558366785 /nfs/dbraw/zinc/36/67/85/558366785.db2.gz JDWBHSUFEBWAMY-VXKWHMMOSA-N 1 0 413.533 4.507 40 0 HJABRO Cc1cc2c(cc1Cl)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(Cl)cc3)CC1)O2 ZINC000012329846 558384930 /nfs/dbraw/zinc/38/49/30/558384930.db2.gz LDSKHFAHKGVVLZ-PMACEKPBSA-N 1 0 422.352 4.686 40 0 HJABRO Clc1ccc(COc2ccc3ccccc3c2C[NH2+]CCCN2CCOCC2)cc1 ZINC000022074036 558462208 /nfs/dbraw/zinc/46/22/08/558462208.db2.gz GKKSEFXPVCSXHD-UHFFFAOYSA-N 1 0 424.972 4.884 40 0 HJABRO O=C(NCCSCc1ccccc1Cl)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000039753419 558687211 /nfs/dbraw/zinc/68/72/11/558687211.db2.gz PEBQPAIGAUYUPS-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030946090 558746216 /nfs/dbraw/zinc/74/62/16/558746216.db2.gz SRHWQESZUAZFKL-GOSISDBHSA-N 1 0 421.368 4.873 40 0 HJABRO O=C(Nc1cccc(Br)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038833928 558817246 /nfs/dbraw/zinc/81/72/46/558817246.db2.gz VVWHURCOZMWHEK-OAHLLOKOSA-N 1 0 407.739 4.953 40 0 HJABRO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000038833992 558817363 /nfs/dbraw/zinc/81/73/63/558817363.db2.gz MUNLQWGYVMXBNU-HNNXBMFYSA-N 1 0 407.739 4.953 40 0 HJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000019021108 558837932 /nfs/dbraw/zinc/83/79/32/558837932.db2.gz GOOIVWCYCOAJFO-UHFFFAOYSA-N 1 0 410.533 4.775 40 0 HJABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccc(F)c(F)c3)CC[C@H]21 ZINC000019081615 558839839 /nfs/dbraw/zinc/83/98/39/558839839.db2.gz BVYKIVICNXGKRC-DBXWQHBBSA-N 1 0 418.553 4.889 40 0 HJABRO Cc1ccc(CN(Cc2ccnn2[C@@H]2CCCCO2)C2CC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC000019216529 558850506 /nfs/dbraw/zinc/85/05/06/558850506.db2.gz UPYOZRZVXYFZPF-QFIPXVFZSA-N 1 0 414.594 4.795 40 0 HJABRO Cc1ccc2c(c1)[C@@H](O)CC1(CC[NH+](C[C@H](O)c3ccc(C(C)(C)C)cc3)CC1)O2 ZINC000019219233 558851301 /nfs/dbraw/zinc/85/13/01/558851301.db2.gz BNUYXGDPPAFICD-GOTSBHOMSA-N 1 0 409.570 4.677 40 0 HJABRO COc1c(C)cccc1C[NH+]1CCC([C@@H](NC(=O)CC(C)C)c2ccccn2)CC1 ZINC000019235926 558855006 /nfs/dbraw/zinc/85/50/06/558855006.db2.gz SBSYOISJZAMVLC-XMMPIXPASA-N 1 0 409.574 4.514 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000019236867 558856068 /nfs/dbraw/zinc/85/60/68/558856068.db2.gz SLDJRGVDKUEZCK-RUZDIDTESA-N 1 0 417.528 4.912 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019236860 558856139 /nfs/dbraw/zinc/85/61/39/558856139.db2.gz RLPNGMULMKPSHG-VWLOTQADSA-N 1 0 417.528 4.912 40 0 HJABRO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000019400835 558883359 /nfs/dbraw/zinc/88/33/59/558883359.db2.gz BGEFAILJKYOVOP-XMMPIXPASA-N 1 0 421.491 4.743 40 0 HJABRO CC(C)c1nc([C@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2ccccc2F)cc(=O)[nH]1 ZINC000019453492 558890717 /nfs/dbraw/zinc/89/07/17/558890717.db2.gz HCQBZRRNUAVOSW-NRFANRHFSA-N 1 0 404.489 4.587 40 0 HJABRO CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2cccc(C)n2)C1 ZINC000019529147 558910835 /nfs/dbraw/zinc/91/08/35/558910835.db2.gz QICLAFUWDZIEMD-VWLOTQADSA-N 1 0 419.594 4.689 40 0 HJABRO Cc1c2ccccc2[nH]c1C[NH+]1CCC([C@H](NC(=O)C2CCC2)c2ccccn2)CC1 ZINC000019565884 558925683 /nfs/dbraw/zinc/92/56/83/558925683.db2.gz OWXVYPQOJCRPQK-VWLOTQADSA-N 1 0 416.569 4.741 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568898 558928070 /nfs/dbraw/zinc/92/80/70/558928070.db2.gz JUQSXCZCBFQKIE-HNNXBMFYSA-N 1 0 405.420 4.938 40 0 HJABRO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@H+](Cc3cc4c(cc3Cl)OCO4)C2)n1 ZINC000072334723 558935812 /nfs/dbraw/zinc/93/58/12/558935812.db2.gz QNMYECPYXQZAPB-KRWDZBQOSA-N 1 0 422.916 4.609 40 0 HJABRO Cc1noc(C)c1COc1ccc(C[NH2+]CC2(c3ccccc3F)CCOCC2)cc1 ZINC000019580921 558936381 /nfs/dbraw/zinc/93/63/81/558936381.db2.gz FFTSEJITWSLVNB-UHFFFAOYSA-N 1 0 424.516 4.848 40 0 HJABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCC[N@H+](Cc3ccccn3)C2)n1 ZINC000072345978 558942682 /nfs/dbraw/zinc/94/26/82/558942682.db2.gz DBMJXASZWKXEMT-INIZCTEOSA-N 1 0 413.447 4.519 40 0 HJABRO CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)CC1 ZINC000072350215 558947123 /nfs/dbraw/zinc/94/71/23/558947123.db2.gz DAMHNSDVUWQNGX-FQEVSTJZSA-N 1 0 411.977 4.516 40 0 HJABRO CCn1cc(C[N@@H+]2CCC[C@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1 ZINC000072354106 558951419 /nfs/dbraw/zinc/95/14/19/558951419.db2.gz CKMKWQJKWPNWBJ-QHCPKHFHSA-N 1 0 418.585 4.894 40 0 HJABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2cc(-c3cnc(N)nc3)cc(C)n2)c(C)c1C ZINC000019690825 558960309 /nfs/dbraw/zinc/96/03/09/558960309.db2.gz FVNQOMLJTVSNOO-HSZRJFAPSA-N 1 0 417.557 4.700 40 0 HJABRO Cc1c(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C ZINC000019694318 558962747 /nfs/dbraw/zinc/96/27/47/558962747.db2.gz HSKNQWROYMEECT-OAQYLSRUSA-N 1 0 424.980 4.632 40 0 HJABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)CC4CCCC4)C3)c2)n1 ZINC000072374925 558963342 /nfs/dbraw/zinc/96/33/42/558963342.db2.gz GJQUVBPBQYMWNB-HXUWFJFHSA-N 1 0 407.562 4.827 40 0 HJABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)n1 ZINC000072375035 558963439 /nfs/dbraw/zinc/96/34/39/558963439.db2.gz TWURQWOAKXHDGB-HXUWFJFHSA-N 1 0 410.525 4.851 40 0 HJABRO COc1ccc(C[NH+]2CCC([C@@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 ZINC000019698355 558965963 /nfs/dbraw/zinc/96/59/63/558965963.db2.gz LCYRKAUYLMMQPR-VWLOTQADSA-N 1 0 422.544 4.651 40 0 HJABRO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cccc(F)c2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019709327 558971427 /nfs/dbraw/zinc/97/14/27/558971427.db2.gz FZMCRJUOKNPWTB-DEOSSOPVSA-N 1 0 421.491 4.935 40 0 HJABRO CC(=O)N1CCC[C@@H](c2[nH]c3ncccc3c2C[N@@H+](C)C[C@@H](C)c2ccccc2)C1 ZINC000072395275 558974117 /nfs/dbraw/zinc/97/41/17/558974117.db2.gz PKBNUEFQKBVAND-WIYYLYMNSA-N 1 0 404.558 4.524 40 0 HJABRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)c1 ZINC000072398621 558976319 /nfs/dbraw/zinc/97/63/19/558976319.db2.gz YQXYCXVLJBZQTO-QPPBQGQZSA-N 1 0 423.601 4.984 40 0 HJABRO Cc1c(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC3CCCCC3)CC2)nc2ccccn12 ZINC000585100551 559023995 /nfs/dbraw/zinc/02/39/95/559023995.db2.gz NGRVDAGLTFMDFM-VWLOTQADSA-N 1 0 408.590 4.570 40 0 HJABRO CCN1CCn2c(-c3ccccc3)cnc2C12CC[NH+](Cc1ccc(F)cc1)CC2 ZINC000096037034 559090772 /nfs/dbraw/zinc/09/07/72/559090772.db2.gz ZQBLSJYALSVBHO-UHFFFAOYSA-N 1 0 404.533 4.516 40 0 HJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053209 559093125 /nfs/dbraw/zinc/09/31/25/559093125.db2.gz RQEHUXHSPBIKGB-HXUWFJFHSA-N 1 0 410.583 4.662 40 0 HJABRO CC(C)CNC(=O)C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053507 559093602 /nfs/dbraw/zinc/09/36/02/559093602.db2.gz WEXYPFDKBCLEEM-IBGZPJMESA-N 1 0 412.599 4.811 40 0 HJABRO CC(C)n1cnc2c1cc(C1CC[NH+](Cc3cccs3)CC1)nc2-c1cnn(C)c1 ZINC000096100044 559095470 /nfs/dbraw/zinc/09/54/70/559095470.db2.gz HGPUAJWEGFJPJR-UHFFFAOYSA-N 1 0 420.586 4.854 40 0 HJABRO OCC[NH+]1CCC(c2ccnc(Nc3ncc(/C=C/c4ccc(F)cc4)s3)c2)CC1 ZINC000585262783 559111376 /nfs/dbraw/zinc/11/13/76/559111376.db2.gz FOBIKDBPKCSCSW-ZZXKWVIFSA-N 1 0 424.545 4.763 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290350 559122918 /nfs/dbraw/zinc/12/29/18/559122918.db2.gz QMFQXSKBKDHHGD-OAHLLOKOSA-N 1 0 418.419 4.539 40 0 HJABRO CCc1ncc(C[NH2+]C[C@H]2CC[C@H](c3c4ccccc4sc3C(=O)NC)CC2)cn1 ZINC000100657935 559137386 /nfs/dbraw/zinc/13/73/86/559137386.db2.gz IGQWZGFASVVWQR-MAEOIBBWSA-N 1 0 422.598 4.677 40 0 HJABRO CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2cccnc2)CC1 ZINC000072345102 559181483 /nfs/dbraw/zinc/18/14/83/559181483.db2.gz ZHRJLISDQRPHQW-UHFFFAOYSA-N 1 0 413.565 4.710 40 0 HJABRO Cc1cccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCN(C)CC4)C=C3C)nc21 ZINC000072320975 560077207 /nfs/dbraw/zinc/07/72/07/560077207.db2.gz YAXATQPBJPKCKR-FUDKSRODSA-N 1 0 408.634 4.952 40 0 biogenic,in-vitro HJABRO O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000004971382 560622596 /nfs/dbraw/zinc/62/25/96/560622596.db2.gz CQUHSTGYIIFITN-UHFFFAOYSA-N 1 0 411.546 4.591 40 0 HJABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)o2)c1 ZINC000007540534 560751624 /nfs/dbraw/zinc/75/16/24/560751624.db2.gz OODQUTJOMDILOS-UHFFFAOYSA-N 1 0 423.509 4.578 40 0 HJABRO c1ccc(Oc2cccc(C[N@@H+](CCCN3CCOCC3)Cc3cccnc3)c2)cc1 ZINC000013569048 560814245 /nfs/dbraw/zinc/81/42/45/560814245.db2.gz QYYTZPDMSDPERB-UHFFFAOYSA-N 1 0 417.553 4.598 40 0 HJABRO CCOc1ccc(C(=O)CN(c2ccc(OC)cc2OC)C2=NCCCCC2)cc1 ZINC000006870317 568462863 /nfs/dbraw/zinc/46/28/63/568462863.db2.gz PZIWNAGIVCUIHF-UHFFFAOYSA-N 1 0 410.514 4.764 40 0 HJABRO Cn1c(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@H]45)[C@H]32)cc2ccc(Cl)cc21 ZINC000604404081 568492317 /nfs/dbraw/zinc/49/23/17/568492317.db2.gz BWCXJFJKOLWLLF-HSJYVMOXSA-N 1 0 423.988 4.867 40 0 HJABRO C[NH+](C)CC1CCC2(CC1)CN(Cc1ccc(F)c(F)c1)Cc1ccccc1O2 ZINC000057773378 568497719 /nfs/dbraw/zinc/49/77/19/568497719.db2.gz LIXQAYPHZGWZDF-UHFFFAOYSA-N 1 0 400.513 4.850 40 0 HJABRO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1OCc1ccccc1 ZINC000224782351 568596611 /nfs/dbraw/zinc/59/66/11/568596611.db2.gz DWHCOEGDYUJDEI-UHFFFAOYSA-N 1 0 400.522 4.791 40 0 HJABRO COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000225615219 568657251 /nfs/dbraw/zinc/65/72/51/568657251.db2.gz RYTNEXHNIZDMAA-UHFFFAOYSA-N 1 0 404.595 4.967 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225636845 568659231 /nfs/dbraw/zinc/65/92/31/568659231.db2.gz AQBCKUTUANEWKK-GBXCKJPGSA-N 1 0 402.579 4.865 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCCC1 ZINC000225655157 568660488 /nfs/dbraw/zinc/66/04/88/568660488.db2.gz DSMKLTGGEFSSAP-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[NH+]3CCC(C)CC3)cc2)CCCCCC1 ZINC000225711242 568666621 /nfs/dbraw/zinc/66/66/21/568666621.db2.gz GZEMBEOZYWRILJ-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225715372 568666987 /nfs/dbraw/zinc/66/69/87/568666987.db2.gz DGVTZKMVEXOKIA-YCFYUYSTSA-N 1 0 416.606 4.967 40 0 HJABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2CCC(C)CC2)cc1 ZINC000225734558 568669110 /nfs/dbraw/zinc/66/91/10/568669110.db2.gz UPZPSJMZKCTHIM-XMMPIXPASA-N 1 0 404.595 4.967 40 0 HJABRO CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225738762 568669917 /nfs/dbraw/zinc/66/99/17/568669917.db2.gz HOFCTQOZOSTGMY-ROKPMTFOSA-N 1 0 404.595 4.967 40 0 HJABRO CC(C)CSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)s1 ZINC000260747088 568737244 /nfs/dbraw/zinc/73/72/44/568737244.db2.gz ZXBBEWJFRCQPFW-HNNXBMFYSA-N 1 0 404.605 4.770 40 0 HJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260812601 568739976 /nfs/dbraw/zinc/73/99/76/568739976.db2.gz HOFCTQOZOSTGMY-MZLICYQSSA-N 1 0 404.595 4.967 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260812493 568739990 /nfs/dbraw/zinc/73/99/90/568739990.db2.gz DFNLXPQWIMXCRU-DCLXLUIPSA-N 1 0 402.579 4.864 40 0 HJABRO C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000260822771 568740494 /nfs/dbraw/zinc/74/04/94/568740494.db2.gz ABWVONLBYQGXMU-AEFFLSMTSA-N 1 0 413.359 4.639 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 ZINC000260818193 568740593 /nfs/dbraw/zinc/74/05/93/568740593.db2.gz WYOVNAMKXAJKJT-YOSAUDMPSA-N 1 0 402.579 4.864 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 ZINC000260818191 568740691 /nfs/dbraw/zinc/74/06/91/568740691.db2.gz WYOVNAMKXAJKJT-MZLICYQSSA-N 1 0 402.579 4.864 40 0 HJABRO O[C@@]1(c2ccc(Br)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 ZINC000022408757 568767952 /nfs/dbraw/zinc/76/79/52/568767952.db2.gz VNRPPJYUYHDGOM-HXUWFJFHSA-N 1 0 420.758 4.753 40 0 HJABRO O=C(c1ccccc1C[NH+]1CCCCC1)N1CC[C@H](Cc2cccc3cccnc32)C1 ZINC000257211550 568779649 /nfs/dbraw/zinc/77/96/49/568779649.db2.gz BZHZTTFQVOGPIH-OAQYLSRUSA-N 1 0 413.565 4.926 40 0 HJABRO COc1cc(C)ccc1CNc1cc(-c2c[nH]nc2[C@H]2CC[N@@H+](C(C)C)C2)ccn1 ZINC000257253025 568791141 /nfs/dbraw/zinc/79/11/41/568791141.db2.gz JXHQBHUXMKSZCM-FQEVSTJZSA-N 1 0 405.546 4.599 40 0 HJABRO CC(C)[N@@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3ccc4ncccc4c3)c2)C1 ZINC000257264544 568794112 /nfs/dbraw/zinc/79/41/12/568794112.db2.gz LUXQBGCXUSIEGZ-OAQYLSRUSA-N 1 0 412.541 4.830 40 0 HJABRO Cc1nc([C@H]2CC[N@H+](CC3CCCCC3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257287581 568800878 /nfs/dbraw/zinc/80/08/78/568800878.db2.gz PQNSCWRCVAVGLW-FQEVSTJZSA-N 1 0 424.564 4.783 40 0 HJABRO COc1cc(C)c(C[NH+]2CCC(c3cncc(Nc4ccccn4)n3)CC2)c(C)c1C ZINC000257302211 568805001 /nfs/dbraw/zinc/80/50/01/568805001.db2.gz SBZCOGPFDZVCLM-UHFFFAOYSA-N 1 0 417.557 4.929 40 0 HJABRO O=C(C[NH+]1CCCCCC1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 ZINC000257308342 568806910 /nfs/dbraw/zinc/80/69/10/568806910.db2.gz TWJZJBYXBJDIKD-IBGZPJMESA-N 1 0 415.965 4.501 40 0 HJABRO Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257326438 568812252 /nfs/dbraw/zinc/81/22/52/568812252.db2.gz WXFMSARLAAZGNR-AVRDEDQJSA-N 1 0 401.551 4.737 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 ZINC000006595703 568937035 /nfs/dbraw/zinc/93/70/35/568937035.db2.gz AVGUOYKVSMTJDN-RUZDIDTESA-N 1 0 420.597 4.779 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000247503113 569315354 /nfs/dbraw/zinc/31/53/54/569315354.db2.gz QOWLDWRIHCBQLS-IZIIKQMZSA-N 1 0 407.533 4.760 40 0 HJABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccccc2NC(=O)c2cnc(C)cn2)C1 ZINC000019712196 569348259 /nfs/dbraw/zinc/34/82/59/569348259.db2.gz MJQRCNZKZZGVLE-YSZBQJHXSA-N 1 0 410.562 4.624 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000044855712 569351993 /nfs/dbraw/zinc/35/19/93/569351993.db2.gz PKURWUSWWPZKCX-FDDCHVKYSA-N 1 0 422.569 4.959 40 0 HJABRO CC(C)[N@H+]1C=C(Cc2ccc(F)cc2)C2=C(C1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2 ZINC000020459291 571314646 /nfs/dbraw/zinc/31/46/46/571314646.db2.gz FADZMELJKLGBMW-QHCPKHFHSA-N 1 0 419.475 4.877 40 0 HJABRO Cc1ccc(N2CC[NH+](CCCOC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000004823087 132289811 /nfs/dbraw/zinc/28/98/11/132289811.db2.gz JKKDSEKGGIQFKL-UHFFFAOYSA-N 1 0 403.526 4.909 40 0 HJABRO CC(C)C(=O)N1CCCc2cc([C@@H](O)C[N@H+]3CC=C(c4ccc(F)cc4)CC3)ccc21 ZINC000012291392 132358048 /nfs/dbraw/zinc/35/80/48/132358048.db2.gz IPIPAPKIFPXDQE-VWLOTQADSA-N 1 0 422.544 4.584 40 0 HJABRO CC1(C)C[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c2ccccc2O1 ZINC000044918360 520516929 /nfs/dbraw/zinc/51/69/29/520516929.db2.gz LLMPTVIJSMXOAB-OAQYLSRUSA-N 1 0 412.961 4.971 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000044912000 521508306 /nfs/dbraw/zinc/50/83/06/521508306.db2.gz LDXJDORDRVRHRF-LJQANCHMSA-N 1 0 414.933 4.676 40 0 HJABRO Cc1cccnc1-n1cccc1C[N@H+](CCCn1ccnc1)Cc1cccc(F)c1 ZINC000043277715 525475668 /nfs/dbraw/zinc/47/56/68/525475668.db2.gz YLAWITFRQWWNTG-UHFFFAOYSA-N 1 0 403.505 4.609 40 0 HJABRO COc1ccc2c(c1)N[C@@]1(COC3(C1)CC[NH+](Cc1ccccc1)CC3)c1cccn1-2 ZINC000072327201 525553941 /nfs/dbraw/zinc/55/39/41/525553941.db2.gz XMVCQKULBDXKHK-SANMLTNESA-N 1 0 415.537 4.562 40 0 HJABRO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[NH+]3CCC(C)CC3)cc1)CC(C)(C)O2 ZINC000044855568 525573816 /nfs/dbraw/zinc/57/38/16/525573816.db2.gz TZXHAEFIIYGEQA-QHCPKHFHSA-N 1 0 422.569 4.959 40 0 HJABRO O=C(NCCCc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000044906209 526279113 /nfs/dbraw/zinc/27/91/13/526279113.db2.gz OYXNKJDAHDWVSZ-LJQANCHMSA-N 1 0 405.369 4.954 40 0 HJABRO O=C(CSCc1c(F)cccc1Cl)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044857225 527021289 /nfs/dbraw/zinc/02/12/89/527021289.db2.gz MGYBBBRWPBFWDR-UHFFFAOYSA-N 1 0 406.954 4.625 40 0 HJABRO Cc1c2c(ccc1[C@@H](C)[C@H]1[NH2+]C[C@@H](C)C[C@H]1O)[C@H]1CC=C3C[C@@H](O)CC[C@]3(C)[C@H]1C2 ZINC000004429988 557554834 /nfs/dbraw/zinc/55/48/34/557554834.db2.gz MALFODICFSIXPO-UPQGLUTDSA-N 1 0 409.614 4.595 40 0 in-vitro HJABRO CC1(C)O[C@](C)(C[NH+]2CCCC2)CC[C@@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000005432557 557653367 /nfs/dbraw/zinc/65/33/67/557653367.db2.gz PJBOSXAOCVTWGX-HOFKKMOUSA-N 1 0 420.597 4.747 40 0 HJABRO COc1ccccc1NC(=S)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000035311859 557687779 /nfs/dbraw/zinc/68/77/79/557687779.db2.gz ZLJLBEVCSPUQSM-ALOPSCKCSA-N 1 0 401.601 4.629 40 0 HJABRO Cc1nc(C2CC[NH+](Cc3ccccc3)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763966 558277628 /nfs/dbraw/zinc/27/76/28/558277628.db2.gz VKOOMLGMQOJHOQ-UHFFFAOYSA-N 1 0 404.489 4.556 40 0 HJABRO CC(C)Oc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000020042005 558326309 /nfs/dbraw/zinc/32/63/09/558326309.db2.gz ZTPONMGNKYWMOV-UHFFFAOYSA-N 1 0 414.549 4.962 40 0 HJABRO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020460057 558372436 /nfs/dbraw/zinc/37/24/36/558372436.db2.gz GENSBTZKYIDIBQ-HNNXBMFYSA-N 1 0 400.906 4.611 40 0 HJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cn(C(C)C)c3ccccc23)CC1 ZINC000012328198 558383447 /nfs/dbraw/zinc/38/34/47/558383447.db2.gz SPQWUGJHGPUSFB-UHFFFAOYSA-N 1 0 407.533 4.989 40 0 HJABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 ZINC000012329850 558384878 /nfs/dbraw/zinc/38/48/78/558384878.db2.gz JPDYXERKSBHLFN-PKTZIBPZSA-N 1 0 423.940 4.877 40 0 HJABRO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000039767232 558686075 /nfs/dbraw/zinc/68/60/75/558686075.db2.gz FZHJCDQYALJTRY-UHFFFAOYSA-N 1 0 402.991 4.769 40 0 HJABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)ccc1Cl ZINC000039751387 558687110 /nfs/dbraw/zinc/68/71/10/558687110.db2.gz YNKYCCCIAPSYSM-UHFFFAOYSA-N 1 0 421.324 4.631 40 0 HJABRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)C1 ZINC000030871782 558743503 /nfs/dbraw/zinc/74/35/03/558743503.db2.gz FNRDRWJYHHWXPD-VXKWHMMOSA-N 1 0 419.613 4.737 40 0 HJABRO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)c1 ZINC000030939098 558745337 /nfs/dbraw/zinc/74/53/37/558745337.db2.gz IEDFSEVTTAJJKZ-UHFFFAOYSA-N 1 0 400.906 4.755 40 0 HJABRO O=C(Nc1ccccc1Br)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038834881 558817792 /nfs/dbraw/zinc/81/77/92/558817792.db2.gz DCUDODIPSVJOGB-HNNXBMFYSA-N 1 0 407.739 4.953 40 0 HJABRO Cc1cccc(CSCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000038851589 558818868 /nfs/dbraw/zinc/81/88/68/558818868.db2.gz MQGFDYITRAHEDE-NRFANRHFSA-N 1 0 417.018 4.910 40 0 HJABRO CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000019082071 558839995 /nfs/dbraw/zinc/83/99/95/558839995.db2.gz PAWVZUYKVPMTOV-XMMPIXPASA-N 1 0 416.569 4.745 40 0 HJABRO Cc1ccc(C[NH+]2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)cc1C ZINC000019213941 558849428 /nfs/dbraw/zinc/84/94/28/558849428.db2.gz NMYSVCJNCOGOGZ-UHFFFAOYSA-N 1 0 417.475 4.651 40 0 HJABRO Cc1cccc2c1[nH]c([C@H]1CCCN(C(=O)[C@H](C)[NH+]3CCCC3)C1)c2-c1ccncc1 ZINC000019236514 558855574 /nfs/dbraw/zinc/85/55/74/558855574.db2.gz YFAWISKYCNSWKX-FPOVZHCZSA-N 1 0 416.569 4.729 40 0 HJABRO Cc1cccc2c1[nH]c([C@@H]1CCCN(C(=O)[C@@H](C)[NH+]3CCCC3)C1)c2-c1ccncc1 ZINC000019236511 558855627 /nfs/dbraw/zinc/85/56/27/558855627.db2.gz YFAWISKYCNSWKX-TZIWHRDSSA-N 1 0 416.569 4.729 40 0 HJABRO Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000019239792 558858510 /nfs/dbraw/zinc/85/85/10/558858510.db2.gz HLFDRQZIEQRYPN-QFIPXVFZSA-N 1 0 405.521 4.779 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449617 558888265 /nfs/dbraw/zinc/88/82/65/558888265.db2.gz XPHZOZGDRORJCT-VWLOTQADSA-N 1 0 419.594 4.770 40 0 HJABRO COc1ccc(C[NH+]2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cc1 ZINC000019450329 558888894 /nfs/dbraw/zinc/88/88/94/558888894.db2.gz ZKQFYZJAKHXQAZ-UHFFFAOYSA-N 1 0 417.557 4.747 40 0 HJABRO CC1CCN(C(=O)c2cc([C@H]3CCC[N@H+](Cc4ccc(Cl)cc4)C3)no2)CC1 ZINC000019496739 558895714 /nfs/dbraw/zinc/89/57/14/558895714.db2.gz AGNLYCBCNYXFKH-SFHVURJKSA-N 1 0 401.938 4.580 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2onc(C)c2C)cc1 ZINC000019533253 558913044 /nfs/dbraw/zinc/91/30/44/558913044.db2.gz ZMFCCOTVTNRFLK-NRFANRHFSA-N 1 0 421.545 4.550 40 0 HJABRO COc1cc2c(cc1OC)C[N@H+](Cc1c3cccnc3[nH]c1-c1ccc(F)cc1)CC2 ZINC000019550733 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SYHFDPWURRZHKL-UHFFFAOYSA-N 1 0 423.586 4.839 40 0 HJABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]23C)[N@H+]2C[C@@H](C)CC[C@@H]12 ZINC000118915637 559205485 /nfs/dbraw/zinc/20/54/85/559205485.db2.gz AANKDJLVHZQCFG-FTJNRNOHSA-N 1 0 413.646 4.626 40 0 in-vitro HJABRO C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23CO)[N@H+]2C[C@H](C)CC[C@@H]12 ZINC000118936396 559206606 /nfs/dbraw/zinc/20/66/06/559206606.db2.gz NMFWDNZLNHRNAT-VKROHFNGSA-N 1 0 413.646 4.627 40 0 HJABRO CCC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccn(-c3ccccc3)n2)[C@H](c2cccc(F)c2)[NH2+]1 ZINC000257264179 559284896 /nfs/dbraw/zinc/28/48/96/559284896.db2.gz LTFYOKQNYSODGS-PUHATCMVSA-N 1 0 420.532 4.503 40 0 HJABRO C[C@@]1(O)CC[N@H+](CC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514290088 560030483 /nfs/dbraw/zinc/03/04/83/560030483.db2.gz YLKBOFBXINKTRO-WPFOTENUSA-N 1 0 412.599 4.625 40 0 biogenic,in-vitro HJABRO COc1ccc(-c2csc(N(CCC[NH+](C)C)C(=O)c3ccc(C)cc3)n2)cc1 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406.545 4.662 40 0 HJABRO O=C(Nc1nnc(SCc2ccccc2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000222791558 568526716 /nfs/dbraw/zinc/52/67/16/568526716.db2.gz FQWRMKVRYQWSNT-UHFFFAOYSA-N 1 0 424.595 4.681 40 0 HJABRO CC(C)n1c(SCc2cccnc2)nnc1[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000026441099 568549568 /nfs/dbraw/zinc/54/95/68/568549568.db2.gz WUTVHCSTJCFCEX-GOSISDBHSA-N 1 0 413.616 4.987 40 0 HJABRO C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)C1 ZINC000223618860 568553461 /nfs/dbraw/zinc/55/34/61/568553461.db2.gz PYERJSVMLWECIU-HXUWFJFHSA-N 1 0 402.538 4.881 40 0 HJABRO CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000223656820 568555114 /nfs/dbraw/zinc/55/51/14/568555114.db2.gz CIWMTNGYFAKEBB-FQEVSTJZSA-N 1 0 412.549 4.530 40 0 HJABRO CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223730156 568557611 /nfs/dbraw/zinc/55/76/11/568557611.db2.gz NADNNFLATHLFCN-FQEVSTJZSA-N 1 0 412.549 4.530 40 0 HJABRO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1Cl 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O=C(Cc1ccc(F)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000222015145 569052664 /nfs/dbraw/zinc/05/26/64/569052664.db2.gz JCJRDRMQBOUQLG-UPVQGACJSA-N 1 0 406.545 4.662 40 0 HJABRO O=C(CCCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253412808 569058214 /nfs/dbraw/zinc/05/82/14/569058214.db2.gz SCPFIOQUNAJIQW-OQKBBGGUSA-N 1 0 417.597 4.912 40 0 HJABRO FC(F)(F)c1cc(-c2noc(C3CC[NH2+]CC3)n2)c2cccc(C(F)(F)F)c2n1 ZINC000228920458 569284323 /nfs/dbraw/zinc/28/43/23/569284323.db2.gz IJGNHXUXYSGSOK-UHFFFAOYSA-N 1 0 416.325 4.789 40 0 HJABRO O=C(NC[C@@H](c1cccc2ccccc21)[NH+]1CCCC1)c1ccc(Br)o1 ZINC000010330591 569311659 /nfs/dbraw/zinc/31/16/59/569311659.db2.gz MJRRSNQOIVJKEO-SFHVURJKSA-N 1 0 413.315 4.762 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1)c1cccc(F)c1 ZINC000247515000 569315469 /nfs/dbraw/zinc/31/54/69/569315469.db2.gz VFWHJSAJTQKKPG-HYBUGGRVSA-N 1 0 421.491 4.743 40 0 HJABRO Cc1cccc(CSCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000009063304 569342350 /nfs/dbraw/zinc/34/23/50/569342350.db2.gz QIQJBRJLRPARDU-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)ccc1Cl ZINC000009063343 569342486 /nfs/dbraw/zinc/34/24/86/569342486.db2.gz YBECNHYMJFPNOJ-UHFFFAOYSA-N 1 0 421.324 4.631 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000012183396 569344703 /nfs/dbraw/zinc/34/47/03/569344703.db2.gz MHLJWTHDLJMNJQ-IFMALSPDSA-N 1 0 421.566 4.535 40 0 HJABRO Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)CC(C)(C)O2 ZINC000044855213 569352017 /nfs/dbraw/zinc/35/20/17/569352017.db2.gz FEHJMIGOEQMILR-SIKLNZKXSA-N 1 0 410.533 4.765 40 0 HJABRO CC1(C)C[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918122 569352077 /nfs/dbraw/zinc/35/20/77/569352077.db2.gz DVBXOJVCDQKCPK-GHTZIAJQSA-N 1 0 412.961 4.971 40 0 HJABRO FC(F)Oc1ccc(-c2c[n+](-c3ccc4c(c3)OCCO4)c3n2CCCCC3)cc1 ZINC000027788619 569395181 /nfs/dbraw/zinc/39/51/81/569395181.db2.gz AAAIVIKRTPOHBA-UHFFFAOYSA-N 1 0 413.444 4.531 40 0 HJABRO CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CC[NH+](Cc2ccccn2)CC1 ZINC000019700299 569428588 /nfs/dbraw/zinc/42/85/88/569428588.db2.gz LCYIOJGBCWBSKK-UHFFFAOYSA-N 1 0 413.565 4.662 40 0 HJABRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000006517634 132311461 /nfs/dbraw/zinc/31/14/61/132311461.db2.gz CALOFSQEYLQYGG-UHFFFAOYSA-N 1 0 413.565 4.773 40 0 HJABRO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000044932217 519779253 /nfs/dbraw/zinc/77/92/53/519779253.db2.gz BIUFNYFGRUDBOP-UHFFFAOYSA-N 1 0 400.950 4.656 40 0 HJABRO CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000020106866 520687966 /nfs/dbraw/zinc/68/79/66/520687966.db2.gz DDBZKAQAZOEGFK-LJQANCHMSA-N 1 0 407.558 4.701 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c(C)c1 ZINC000044912106 521490345 /nfs/dbraw/zinc/49/03/45/521490345.db2.gz ZMSQAFFFWPZESG-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1Cl ZINC000044939858 521490649 /nfs/dbraw/zinc/49/06/49/521490649.db2.gz NQFHIWHLUQLQFH-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(OC)cc1 ZINC000044936305 522365687 /nfs/dbraw/zinc/36/56/87/522365687.db2.gz AAXQQIAIYMIVPC-QFIPXVFZSA-N 1 0 400.950 4.828 40 0 HJABRO CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875463 523041726 /nfs/dbraw/zinc/04/17/26/523041726.db2.gz IRVTVNHUDOLJMC-JOCHJYFZSA-N 1 0 400.950 4.800 40 0 HJABRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 ZINC000044903961 527665488 /nfs/dbraw/zinc/66/54/88/527665488.db2.gz QBPNXQFNXKYJJG-UHFFFAOYSA-N 1 0 405.586 4.635 40 0 HJABRO O=C(OCC[NH+]1CCCCC1)[C@@](O)(c1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000001710850 557282166 /nfs/dbraw/zinc/28/21/66/557282166.db2.gz BXGAZMHAVGAZRZ-HHHXNRCGSA-N 1 0 415.533 4.619 40 0 HJABRO CC[NH+](CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 ZINC000006869538 557727643 /nfs/dbraw/zinc/72/76/43/557727643.db2.gz CWTKFSWPOMNFJZ-UHFFFAOYSA-N 1 0 415.541 4.850 40 0 HJABRO COc1cc(C[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000008497900 557793545 /nfs/dbraw/zinc/79/35/45/557793545.db2.gz DYCBZWDWXUIEPR-NSHDSACASA-N 1 0 404.721 4.705 40 0 HJABRO O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010691213 558259854 /nfs/dbraw/zinc/25/98/54/558259854.db2.gz INFWMYPISVOYKQ-UHFFFAOYSA-N 1 0 405.542 4.551 40 0 HJABRO O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010691419 558259866 /nfs/dbraw/zinc/25/98/66/558259866.db2.gz HHOVBBNPFCKDMP-UHFFFAOYSA-N 1 0 419.569 4.941 40 0 HJABRO CN(Cc1ccc2ncccc2c1)C(=O)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000019745348 558266087 /nfs/dbraw/zinc/26/60/87/558266087.db2.gz FEQSFWHYWQPRKE-UHFFFAOYSA-N 1 0 401.554 4.538 40 0 HJABRO Cc1nc([C@@H]2CCC[N@@H+]2CCCc2ccccc2)ncc1C(=O)Nc1ccccc1 ZINC000019753519 558272714 /nfs/dbraw/zinc/27/27/14/558272714.db2.gz XWWMXFKFGWDFJF-QHCPKHFHSA-N 1 0 400.526 4.807 40 0 HJABRO CCCOc1c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cccc1OC ZINC000012238102 558358937 /nfs/dbraw/zinc/35/89/37/558358937.db2.gz RAZCJLOUWJERIA-KEVCNVLYSA-N 1 0 411.542 4.507 40 0 HJABRO Cc1nc(-c2cc(C)ccc2C)c(CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)s1 ZINC000012238216 558359137 /nfs/dbraw/zinc/35/91/37/558359137.db2.gz AGIAESLKGNUKNU-FQEVSTJZSA-N 1 0 411.615 4.755 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1Cl ZINC000020489960 558377684 /nfs/dbraw/zinc/37/76/84/558377684.db2.gz VBVNPEBICXGAAN-UHFFFAOYSA-N 1 0 400.906 4.755 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1ccccc1 ZINC000012408199 558399164 /nfs/dbraw/zinc/39/91/64/558399164.db2.gz ZGFPMJITQAXRLK-TZIWHRDSSA-N 1 0 409.530 4.666 40 0 HJABRO CCn1c(C=Cc2c3ccccc3c3n2c2c(c(=O)n3C)CCC2)[o+]c2ccccc21 ZINC000027232665 558671333 /nfs/dbraw/zinc/67/13/33/558671333.db2.gz PRQCQJVPVDVRQY-UHFFFAOYSA-N 1 0 410.497 4.504 40 0 HJABRO O=C(NCCSCc1ccccc1F)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000039766532 558686174 /nfs/dbraw/zinc/68/61/74/558686174.db2.gz WGDJETSGBWJKAF-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000019021125 558837836 /nfs/dbraw/zinc/83/78/36/558837836.db2.gz GXJGBHKLRCUOGX-UHFFFAOYSA-N 1 0 410.533 4.775 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019370375 558878683 /nfs/dbraw/zinc/87/86/83/558878683.db2.gz RUFPBGWSYMMBBG-ATIYNZHBSA-N 1 0 417.528 4.533 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CC[N@H+](Cc2cccnc2)C1 ZINC000019449615 558888222 /nfs/dbraw/zinc/88/82/22/558888222.db2.gz XPHZOZGDRORJCT-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO CCCNC(=O)c1cc([C@H]2CCC[N@H+](CC(c3ccccc3)c3ccccc3)C2)no1 ZINC000019503656 558900899 /nfs/dbraw/zinc/90/08/99/558900899.db2.gz SJWYBEKPOTVQCV-QFIPXVFZSA-N 1 0 417.553 4.826 40 0 HJABRO CCSc1ncc(C[N@H+](Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cn1 ZINC000019520512 558901454 /nfs/dbraw/zinc/90/14/54/558901454.db2.gz CAHMHMUAOKMQFF-RBBKRZOGSA-N 1 0 423.586 4.694 40 0 HJABRO COc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CC[N@H+](Cc4cccs4)C[C@@H]32)c1 ZINC000019566377 558926121 /nfs/dbraw/zinc/92/61/21/558926121.db2.gz BJGIOAUHGAULBE-WXFUMESZSA-N 1 0 424.610 4.763 40 0 HJABRO Cc1ccccc1C[NH+]1CCC(c2nnc([C@@H]3CCCCN3C(=O)CC(C)C)o2)CC1 ZINC000072344951 558941293 /nfs/dbraw/zinc/94/12/93/558941293.db2.gz VKSMNBRKQZFZTK-QFIPXVFZSA-N 1 0 424.589 4.857 40 0 HJABRO Cn1cc(C[NH+]2CCC(c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)CC2)cn1 ZINC000072349991 558946960 /nfs/dbraw/zinc/94/69/60/558946960.db2.gz GKGQVAYNNBCJFC-UHFFFAOYSA-N 1 0 414.475 4.804 40 0 HJABRO CCn1ncc(C[NH+]2CCC(c3cc(Cc4cccc(OC)c4)cc(C)n3)CC2)c1C ZINC000019687075 558957075 /nfs/dbraw/zinc/95/70/75/558957075.db2.gz UKZJXDFVNILCQF-UHFFFAOYSA-N 1 0 418.585 4.894 40 0 HJABRO Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@H+](Cc3cccc4ncccc34)C2)n1 ZINC000072375036 558963296 /nfs/dbraw/zinc/96/32/96/558963296.db2.gz TWURQWOAKXHDGB-FQEVSTJZSA-N 1 0 410.525 4.851 40 0 HJABRO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@@H+]4C4CCCC4)nc32)cc1 ZINC000019695872 558964309 /nfs/dbraw/zinc/96/43/09/558964309.db2.gz YDGZLFMAPJXDAY-JOCHJYFZSA-N 1 0 404.558 4.652 40 0 HJABRO O=C1[C@@H](C2CC[NH+](CCc3ccccc3)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000019696287 558964553 /nfs/dbraw/zinc/96/45/53/558964553.db2.gz ZKJFWAZLQOCDDE-RUZDIDTESA-N 1 0 406.545 4.685 40 0 HJABRO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c(C)c1C ZINC000072375804 558964886 /nfs/dbraw/zinc/96/48/86/558964886.db2.gz KOENEJMFAVVVIA-NRFANRHFSA-N 1 0 403.530 4.886 40 0 HJABRO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+](Cc4ccc5ncccc5c4)C3)n2)nc1 ZINC000072377988 558967153 /nfs/dbraw/zinc/96/71/53/558967153.db2.gz CALLHRKSGJFUSK-OAQYLSRUSA-N 1 0 410.525 4.851 40 0 HJABRO Cc1nc(C2CC[NH+](C3CCCC3)CC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000019703786 558967935 /nfs/dbraw/zinc/96/79/35/558967935.db2.gz PTGIOTRCVHPXMN-UHFFFAOYSA-N 1 0 410.606 4.767 40 0 HJABRO CC(=O)C1(c2ccccc2)CC[NH+](Cc2c3cccnc3[nH]c2C(F)(F)F)CC1 ZINC000072393709 558972924 /nfs/dbraw/zinc/97/29/24/558972924.db2.gz LTZPTYDCHZDNDQ-UHFFFAOYSA-N 1 0 401.432 4.705 40 0 HJABRO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100421 559024014 /nfs/dbraw/zinc/02/40/14/559024014.db2.gz UWTCQTCSJNFMHY-XMMPIXPASA-N 1 0 416.487 4.694 40 0 HJABRO CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2cccc(C)c2)CC1 ZINC000585166508 559067009 /nfs/dbraw/zinc/06/70/09/559067009.db2.gz WGUKBEONRDKBMS-UHFFFAOYSA-N 1 0 413.565 4.628 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053086 559092917 /nfs/dbraw/zinc/09/29/17/559092917.db2.gz HSTPBLMEFNOWRZ-IBGZPJMESA-N 1 0 410.583 4.565 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccsc3)CC2)Oc2ccccc21)N1CCCC1 ZINC000096053210 559093072 /nfs/dbraw/zinc/09/30/72/559093072.db2.gz RQEHUXHSPBIKGB-FQEVSTJZSA-N 1 0 410.583 4.662 40 0 HJABRO CC(C)NC(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21 ZINC000096053321 559093169 /nfs/dbraw/zinc/09/31/69/559093169.db2.gz ZPTLLRIXELKUQQ-HXUWFJFHSA-N 1 0 410.533 4.641 40 0 HJABRO COc1ccc(-c2nc(C3CC[NH+](Cc4ccc(C)o4)CC3)cc3c2ncn3C)cc1 ZINC000096099981 559095258 /nfs/dbraw/zinc/09/52/58/559095258.db2.gz SLXQDPHNXWECRB-UHFFFAOYSA-N 1 0 416.525 4.925 40 0 HJABRO Fc1ccccc1C[N@@H+]1CCC[C@H](c2ccc(-c3noc(C(F)(F)F)n3)cn2)C1 ZINC000585290693 559123283 /nfs/dbraw/zinc/12/32/83/559123283.db2.gz UCOWINQHNMHIGB-HNNXBMFYSA-N 1 0 406.383 4.669 40 0 HJABRO CC[NH+](CC)CCOc1ccc([C@](O)(Cc2ccc(OC)cc2)c2ccccc2)cc1 ZINC000000607855 560178459 /nfs/dbraw/zinc/17/84/59/560178459.db2.gz KDYQVUUCWUPJGE-MHZLTWQESA-N 1 0 419.565 4.894 40 0 in-vitro HJABRO COc1ccc(-c2nnc(SCC[NH+]3CCCCC3)n2-c2ccccc2)cc1OC ZINC000001224395 560572517 /nfs/dbraw/zinc/57/25/17/560572517.db2.gz CSVRBGMJOLPQMO-UHFFFAOYSA-N 1 0 424.570 4.530 40 0 HJABRO C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCCCC[NH+](C)C)c1O)OC2(C)C ZINC000409412936 560723061 /nfs/dbraw/zinc/72/30/61/560723061.db2.gz LBHFMWXENPEIAQ-MISYRCLQSA-N 1 0 416.606 4.935 40 0 HJABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1cccc(Cl)c1Cl ZINC000006547954 560744074 /nfs/dbraw/zinc/74/40/74/560744074.db2.gz KCBJKANTANXWLJ-UHFFFAOYSA-N 1 0 408.354 4.716 40 0 HJABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000006548101 560744104 /nfs/dbraw/zinc/74/41/04/560744104.db2.gz SLDPCAGKFQLJBR-UHFFFAOYSA-N 1 0 408.354 4.716 40 0 HJABRO COc1c(Br)cc(Br)cc1C[NH2+]CCc1ccc(F)cc1 ZINC000016194487 560859347 /nfs/dbraw/zinc/85/93/47/560859347.db2.gz NUDYRLRFUDMKFR-UHFFFAOYSA-N 1 0 417.116 4.692 40 0 HJABRO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2)CC1 ZINC000017088373 560863406 /nfs/dbraw/zinc/86/34/06/560863406.db2.gz DVIGNZNTCVNDKB-UHFFFAOYSA-N 1 0 409.917 4.994 40 0 HJABRO Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)n2)c1 ZINC000219236342 568488329 /nfs/dbraw/zinc/48/83/29/568488329.db2.gz HBJUJOICQZDZFL-UHFFFAOYSA-N 1 0 418.541 4.549 40 0 HJABRO Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)n2)cc1 ZINC000219241533 568488369 /nfs/dbraw/zinc/48/83/69/568488369.db2.gz ONUZZISHNZVTER-IBGZPJMESA-N 1 0 418.541 4.549 40 0 HJABRO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c2ccccc12 ZINC000222625083 568521166 /nfs/dbraw/zinc/52/11/66/568521166.db2.gz OZXQKANCYVSBSW-UHFFFAOYSA-N 1 0 410.901 4.634 40 0 HJABRO CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000223730095 568557541 /nfs/dbraw/zinc/55/75/41/568557541.db2.gz NADNNFLATHLFCN-HXUWFJFHSA-N 1 0 412.549 4.530 40 0 HJABRO C[C@H](Oc1cccc2ccccc21)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224676847 568591965 /nfs/dbraw/zinc/59/19/65/568591965.db2.gz XPNVXICQPIGMOR-FQEVSTJZSA-N 1 0 402.538 4.909 40 0 HJABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224682664 568592136 /nfs/dbraw/zinc/59/21/36/568592136.db2.gz ABNVFDUVPHMBMG-OAQYLSRUSA-N 1 0 400.950 4.800 40 0 HJABRO O=C(CSCc1ccc(Cl)cc1F)NCc1ccccc1C[NH+]1CCCC1 ZINC000224802535 568597400 /nfs/dbraw/zinc/59/74/00/568597400.db2.gz TXQLRZLZYFSLHN-UHFFFAOYSA-N 1 0 406.954 4.625 40 0 HJABRO Cc1cc(O[C@H](C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)ccc1Cl ZINC000224849709 568600153 /nfs/dbraw/zinc/60/01/53/568600153.db2.gz SYTKFFZFNPJUGP-GOSISDBHSA-N 1 0 400.950 4.718 40 0 HJABRO CCCSc1nnc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)s1 ZINC000224866995 568601241 /nfs/dbraw/zinc/60/12/41/568601241.db2.gz FMCXKFXKCSSCCV-UHFFFAOYSA-N 1 0 424.595 4.851 40 0 HJABRO S=C(NCCC[NH+]1CCCCCC1)Nc1ccc(Br)c(Cl)c1 ZINC000225400014 568634316 /nfs/dbraw/zinc/63/43/16/568634316.db2.gz UUQLNXYDBHWIGN-UHFFFAOYSA-N 1 0 404.805 4.655 40 0 HJABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCCCCC3)cc2)CCC(C)CC1 ZINC000225641003 568659261 /nfs/dbraw/zinc/65/92/61/568659261.db2.gz CXXXIFKZWIMDQD-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCCCCC1 ZINC000225711274 568666644 /nfs/dbraw/zinc/66/66/44/568666644.db2.gz IALJYUNNDBPENB-HXUWFJFHSA-N 1 0 402.579 4.865 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225715241 568666964 /nfs/dbraw/zinc/66/69/64/568666964.db2.gz DFNLXPQWIMXCRU-NMMYMHLASA-N 1 0 402.579 4.864 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@H](C)C1 ZINC000225715979 568667253 /nfs/dbraw/zinc/66/72/53/568667253.db2.gz ICUBCHOLMGFYGK-RDPSFJRHSA-N 1 0 402.579 4.865 40 0 HJABRO c1c2ccccc2oc1-c1nnc2sc(C[N@@H+]3CC[C@H](c4ccccc4)C3)nn21 ZINC000096194456 568704017 /nfs/dbraw/zinc/70/40/17/568704017.db2.gz ZMQRJTHTONOTAN-KRWDZBQOSA-N 1 0 401.495 4.589 40 0 HJABRO CCCc1ccc(C[N@@H+]2C[C@H](c3ccc(OC)c(OC)c3)[C@H]3COCC[C@H]32)s1 ZINC000257221711 568782558 /nfs/dbraw/zinc/78/25/58/568782558.db2.gz DQFIHOUZDAQZHY-NJDAHSKKSA-N 1 0 401.572 4.722 40 0 HJABRO Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)COc3c(C)cccc3C)C2)[nH+]1 ZINC000257239546 568787336 /nfs/dbraw/zinc/78/73/36/568787336.db2.gz HPURMOUZYUNYRC-GOSISDBHSA-N 1 0 422.554 4.602 40 0 HJABRO Cc1ncsc1C[NH+]1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 ZINC000257308599 568807192 /nfs/dbraw/zinc/80/71/92/568807192.db2.gz TXIATEFGHZWRBM-FXAWDEMLSA-N 1 0 404.963 5.000 40 0 HJABRO Cc1ccc(C(C)C)c(OCc2nn(C[C@@H](O)c3ccccc3)c3[n+]2CCCCC3)c1 ZINC000026441729 569031845 /nfs/dbraw/zinc/03/18/45/569031845.db2.gz HBJXJWWZVRTLLE-HSZRJFAPSA-N 1 0 420.577 4.641 40 0 HJABRO CC[NH+](CC)CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000004231212 569051779 /nfs/dbraw/zinc/05/17/79/569051779.db2.gz NSNFEZQXRLJYGR-UHFFFAOYSA-N 1 0 420.557 4.521 40 0 HJABRO CC(C)Oc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009062718 569342247 /nfs/dbraw/zinc/34/22/47/569342247.db2.gz DMLOVTCREFBQFV-UHFFFAOYSA-N 1 0 412.549 4.574 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 ZINC000012183407 569344639 /nfs/dbraw/zinc/34/46/39/569344639.db2.gz QCWKLVUBLXGGEI-RBBKRZOGSA-N 1 0 421.566 4.535 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CCCC1 ZINC000012408180 569344754 /nfs/dbraw/zinc/34/47/54/569344754.db2.gz XNKYNBCQZVBIDK-UYAOXDASSA-N 1 0 401.551 4.542 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)C1CCCC1 ZINC000012408182 569344770 /nfs/dbraw/zinc/34/47/70/569344770.db2.gz XNKYNBCQZVBIDK-AZUAARDMSA-N 1 0 401.551 4.542 40 0 HJABRO COc1cccc2cc(C[N@@H+]3CC[C@@H](c4cc(COc5ccccc5)[nH]n4)C3)oc21 ZINC000019704277 569347529 /nfs/dbraw/zinc/34/75/29/569347529.db2.gz QKUMSPHYZGOSRM-GOSISDBHSA-N 1 0 403.482 4.733 40 0 HJABRO Cc1nc([C@@]2(O)CCC[N@@H+](C3CCCC3)CC2)sc1CCOc1ccccc1F ZINC000019705412 569348016 /nfs/dbraw/zinc/34/80/16/569348016.db2.gz YRNGPYZYZFVAJX-HSZRJFAPSA-N 1 0 418.578 4.828 40 0 HJABRO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000044851589 520474234 /nfs/dbraw/zinc/47/42/34/520474234.db2.gz WTLSHBQSGASLIY-UHFFFAOYSA-N 1 0 408.586 4.745 40 0 HJABRO CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1)c1ccc(OC)cc1 ZINC000044936089 522760338 /nfs/dbraw/zinc/76/03/38/522760338.db2.gz YEPDFOQGCJUBHX-DENIHFKCSA-N 1 0 400.950 4.828 40 0 HJABRO O=C(NCCSCc1ccccc1F)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044909131 526373194 /nfs/dbraw/zinc/37/31/94/526373194.db2.gz BSVPMWAZJNKIEC-UHFFFAOYSA-N 1 0 400.563 4.865 40 0 HJABRO O=C1CCc2ccc(OCCCC[NH2+]CCNc3cccc(Cl)c3Cl)cc2N1 ZINC000044699419 526999657 /nfs/dbraw/zinc/99/96/57/526999657.db2.gz JYRMMVXVCMXLIK-UHFFFAOYSA-N 1 0 422.356 4.739 40 0 in-vitro HJABRO O[C@@H](c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1)[C@H]1CCCC[NH2+]1 ZINC000001568034 557272940 /nfs/dbraw/zinc/27/29/40/557272940.db2.gz OCVRKDMRZFCUEE-PBHICJAKSA-N 1 0 404.354 4.962 40 0 in-man HJABRO O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H]([N@@H+]2CCc3ccccc3C2)C1 ZINC000408608019 557519614 /nfs/dbraw/zinc/51/96/14/557519614.db2.gz LTVTTZADOYHOPS-AREMUKBSSA-N 1 0 410.561 4.868 40 0 HJABRO CC[NH+](CC)CCCNC(=S)c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000004718052 557586332 /nfs/dbraw/zinc/58/63/32/557586332.db2.gz ZHRKUVNWZSFJJZ-UHFFFAOYSA-N 1 0 400.588 4.580 40 0 HJABRO O=C(NC(=S)Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc2ccccc21 ZINC000006548982 557707516 /nfs/dbraw/zinc/70/75/16/557707516.db2.gz NCUNJLGXNMXCME-UHFFFAOYSA-N 1 0 403.551 4.953 40 0 HJABRO CCOCCC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000008253133 557778018 /nfs/dbraw/zinc/77/80/18/557778018.db2.gz MRNHUXXWYFUCNB-UHFFFAOYSA-N 1 0 408.336 4.553 40 0 HJABRO Cc1n[nH]c(C)c1[C@@H](C)NC(=O)CC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000019748481 558267669 /nfs/dbraw/zinc/26/76/69/558267669.db2.gz VYNAFMMBKLQYBL-CQSZACIVSA-N 1 0 422.495 4.525 40 0 HJABRO Cc1nc([C@@H]2CC[N@H+](CCc3ccccc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753192 558272419 /nfs/dbraw/zinc/27/24/19/558272419.db2.gz RNCINCDAMATFAZ-LJQANCHMSA-N 1 0 420.944 4.723 40 0 HJABRO Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000012238205 558358903 /nfs/dbraw/zinc/35/89/03/558358903.db2.gz DQCKBWXAJGYQHI-FQEVSTJZSA-N 1 0 415.578 4.667 40 0 HJABRO Cc1nc(-c2ccc(C)cc2C)c(CC(=O)N2CCCC[C@H]2C[NH+]2CCCC2)s1 ZINC000012238223 558359214 /nfs/dbraw/zinc/35/92/14/558359214.db2.gz BZMGSNJNVBOIKX-FQEVSTJZSA-N 1 0 411.615 4.755 40 0 HJABRO Cc1ccc([C@H](O)C[NH+]2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000012293488 558366464 /nfs/dbraw/zinc/36/64/64/558366464.db2.gz KAJQPPIXJILCML-BJKOFHAPSA-N 1 0 403.522 4.532 40 0 HJABRO O[C@@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc(Cl)cc1 ZINC000012329859 558384818 /nfs/dbraw/zinc/38/48/18/558384818.db2.gz JPDYXERKSBHLFN-GOTSBHOMSA-N 1 0 423.940 4.877 40 0 HJABRO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000039763015 558685934 /nfs/dbraw/zinc/68/59/34/558685934.db2.gz AHFKHWTXFPIGQM-UHFFFAOYSA-N 1 0 421.324 4.631 40 0 HJABRO Cc1cccc(CSCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000039750542 558687150 /nfs/dbraw/zinc/68/71/50/558687150.db2.gz XABZCCVGLYDIBJ-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1OCC ZINC000039756949 558687788 /nfs/dbraw/zinc/68/77/88/558687788.db2.gz ZUJBJZUYPWLTHR-FQEVSTJZSA-N 1 0 424.585 4.882 40 0 HJABRO CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030943375 558745902 /nfs/dbraw/zinc/74/59/02/558745902.db2.gz YRRDLXLCYHIDRG-FQEVSTJZSA-N 1 0 412.505 4.633 40 0 HJABRO Cc1ccc(CSCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038837187 558818191 /nfs/dbraw/zinc/81/81/91/558818191.db2.gz KMXZEBDIPPFYOL-NRFANRHFSA-N 1 0 417.018 4.910 40 0 HJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)C1 ZINC000038857333 558819419 /nfs/dbraw/zinc/81/94/19/558819419.db2.gz BZZKFGUOYPSMNS-IBGZPJMESA-N 1 0 411.977 4.534 40 0 HJABRO Cc1cc2ccncc2n1CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC(C)C)cc1 ZINC000019127148 558844765 /nfs/dbraw/zinc/84/47/65/558844765.db2.gz OBKXOWDLIRLHFO-XZQOPNAISA-N 1 0 419.569 4.690 40 0 HJABRO COc1ccc([C@H]2CN(C(=O)C3CCC3)[C@@H]3CC[N@H+](Cc4cccc(C)c4)C[C@@H]32)cc1 ZINC000019235053 558854245 /nfs/dbraw/zinc/85/42/45/558854245.db2.gz OEGZIQMSWAOUEA-TWJOJJKGSA-N 1 0 418.581 4.620 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1cccc(F)c1 ZINC000019400587 558883099 /nfs/dbraw/zinc/88/30/99/558883099.db2.gz POCFLAXVMYQDQM-HYBUGGRVSA-N 1 0 421.491 4.743 40 0 HJABRO O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000019400829 558883372 /nfs/dbraw/zinc/88/33/72/558883372.db2.gz PSNMRRXQZKEDJM-RUZDIDTESA-N 1 0 409.549 4.871 40 0 HJABRO CC(C)[C@H](NC(=O)c1ccoc1C[NH+]1CCCCC1)c1ccc2c(c1)OCCCO2 ZINC000019445849 558885959 /nfs/dbraw/zinc/88/59/59/558885959.db2.gz UMWINNDUCOVNBH-QHCPKHFHSA-N 1 0 412.530 4.554 40 0 HJABRO COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)cc1 ZINC000019555479 558918313 /nfs/dbraw/zinc/91/83/13/558918313.db2.gz YZCYLUZGDDHNHF-HJOGWXRNSA-N 1 0 424.610 4.763 40 0 HJABRO CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000072344939 558941352 /nfs/dbraw/zinc/94/13/52/558941352.db2.gz KUVUHJIVFFPDKK-JOCHJYFZSA-N 1 0 424.589 4.591 40 0 HJABRO Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCC[N@H+](Cc3ccncc3)C2)n1 ZINC000072345948 558942418 /nfs/dbraw/zinc/94/24/18/558942418.db2.gz VDTBMZDTUOATQE-QGZVFWFLSA-N 1 0 413.447 4.519 40 0 HJABRO COc1cc(/C=C/C2=CC[N@H+](C)CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000072346472 558943292 /nfs/dbraw/zinc/94/32/92/558943292.db2.gz QNXJLERDJHDYTC-BQYQJAHWSA-N 1 0 412.917 4.641 40 0 HJABRO O=C(Nc1nccs1)c1cccc([C@@H]2CCC[N@@H+]2Cc2cccc3ncccc23)n1 ZINC000072354393 558951707 /nfs/dbraw/zinc/95/17/07/558951707.db2.gz OBWNSNGPWYROSM-NRFANRHFSA-N 1 0 415.522 4.676 40 0 HJABRO FC(F)(F)c1cccc(-c2noc([C@H]3CC[N@H+](CCOc4ccccc4)C3)n2)c1 ZINC000072369969 558956152 /nfs/dbraw/zinc/95/61/52/558956152.db2.gz HHLPWIZSOFLNCR-INIZCTEOSA-N 1 0 403.404 4.624 40 0 HJABRO CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@@H+]1Cc1ccnn1C ZINC000072370755 558957246 /nfs/dbraw/zinc/95/72/46/558957246.db2.gz PNUDHIHDLYTAGP-SFHVURJKSA-N 1 0 424.614 4.760 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C ZINC000019687438 558957368 /nfs/dbraw/zinc/95/73/68/558957368.db2.gz OLBSZNBETYSQDI-OAQYLSRUSA-N 1 0 424.980 4.725 40 0 HJABRO CCOc1ccc(COC)cc1C[N@@H+]1CCC[C@@H]1c1cc(-c2cncnc2)cc(C)n1 ZINC000019690823 558960232 /nfs/dbraw/zinc/96/02/32/558960232.db2.gz MBNNBSWUIDWZDR-XMMPIXPASA-N 1 0 418.541 4.729 40 0 HJABRO CCn1ncc(C[NH+]2CCC(c3cc(Cc4ccc(OC)cc4)cc(C)n3)CC2)c1C ZINC000019691590 558960798 /nfs/dbraw/zinc/96/07/98/558960798.db2.gz MVAKNWWUAWNHTE-UHFFFAOYSA-N 1 0 418.585 4.894 40 0 HJABRO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)[nH+]1 ZINC000072375009 558963374 /nfs/dbraw/zinc/96/33/74/558963374.db2.gz WHOBCLKMHDAZDB-HXUWFJFHSA-N 1 0 422.573 4.628 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)c1C ZINC000072374960 558963401 /nfs/dbraw/zinc/96/34/01/558963401.db2.gz JNLSJIFELVHCRY-HXUWFJFHSA-N 1 0 404.562 4.741 40 0 HJABRO Fc1ccccc1OCCc1cc([C@H]2CCC[N@@H+]2Cc2ccc3[nH]ccc3c2)[nH]n1 ZINC000072378358 558967531 /nfs/dbraw/zinc/96/75/31/558967531.db2.gz UPVFZBIJGZBFGI-HSZRJFAPSA-N 1 0 404.489 4.989 40 0 HJABRO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019709313 558971537 /nfs/dbraw/zinc/97/15/37/558971537.db2.gz NRQYYAQKVYNRLW-DEOSSOPVSA-N 1 0 421.491 4.935 40 0 HJABRO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(C(C)C)cc2)on1 ZINC000072395065 558973833 /nfs/dbraw/zinc/97/38/33/558973833.db2.gz AERHCBWOXABGBK-ILBGXUMGSA-N 1 0 405.542 4.761 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](C[NH2+]Cc2cccnc2NC)CC1 ZINC000257236316 558992618 /nfs/dbraw/zinc/99/26/18/558992618.db2.gz HBOOCIANIURDID-QAQDUYKDSA-N 1 0 422.598 4.761 40 0 HJABRO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@]2(CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100420 559023975 /nfs/dbraw/zinc/02/39/75/559023975.db2.gz UWTCQTCSJNFMHY-DEOSSOPVSA-N 1 0 416.487 4.694 40 0 HJABRO CC(C)COC(=O)NC1CC2(C1)CC[NH+](Cc1ccc(F)c(C(F)(F)F)c1)CC2 ZINC000585104008 559025883 /nfs/dbraw/zinc/02/58/83/559025883.db2.gz VFWMMPHROOQRKL-UHFFFAOYSA-N 1 0 416.459 4.971 40 0 HJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3c(C)noc3C)CC2)c2ccccc21 ZINC000096053040 559092890 /nfs/dbraw/zinc/09/28/90/559092890.db2.gz WCAZHLRUKNFRKH-FQEVSTJZSA-N 1 0 409.574 4.571 40 0 HJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053099 559092987 /nfs/dbraw/zinc/09/29/87/559092987.db2.gz SHIPHFVJJGWJPX-OAQYLSRUSA-N 1 0 422.544 4.643 40 0 HJABRO O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCC[N@H+]2Cc2cccc(F)c2)C1 ZINC000096071327 559094362 /nfs/dbraw/zinc/09/43/62/559094362.db2.gz UWEJYIINOUUCJK-QHCPKHFHSA-N 1 0 400.925 4.679 40 0 HJABRO O=C(c1cscn1)N1CC2(C1)CC[NH+](CC(c1ccccc1)c1ccccc1)CC2 ZINC000096089451 559095140 /nfs/dbraw/zinc/09/51/40/559095140.db2.gz RSBFFRWZULMQGD-UHFFFAOYSA-N 1 0 417.578 4.513 40 0 HJABRO CCCc1ncc(C[NH+]2CCC(c3cccc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585263432 559111755 /nfs/dbraw/zinc/11/17/55/559111755.db2.gz JSQXLYKYHSMGJM-UHFFFAOYSA-N 1 0 408.575 4.712 40 0 HJABRO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](c3nccnc3-c3cccc(C)c3)C2)cc1 ZINC000072359046 559186104 /nfs/dbraw/zinc/18/61/04/559186104.db2.gz RJUPSXLYFDWKGR-QFIPXVFZSA-N 1 0 400.526 4.790 40 0 HJABRO C[C@H]1[C@H]2CC[C@@H](C)C[N@@H+]2[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@@H]12 ZINC000118915634 559205438 /nfs/dbraw/zinc/20/54/38/559205438.db2.gz AANKDJLVHZQCFG-CSFJKFLYSA-N 1 0 413.646 4.626 40 0 in-vitro HJABRO CC1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)CC1 ZINC000226070606 559272808 /nfs/dbraw/zinc/27/28/08/559272808.db2.gz CRNHTLFDMHDABQ-OAQYLSRUSA-N 1 0 405.623 4.770 40 0 HJABRO OCc1ccccc1C[N@H+](Cc1ccccc1)Cc1cccc(Oc2ncccn2)c1 ZINC000257324253 559283197 /nfs/dbraw/zinc/28/31/97/559283197.db2.gz WNVUTSJLWJTKOR-UHFFFAOYSA-N 1 0 411.505 4.964 40 0 HJABRO CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CC[NH+](Cc2ccccn2)CC1 ZINC000257232478 559283888 /nfs/dbraw/zinc/28/38/88/559283888.db2.gz GLAPTNOPICMXFN-UHFFFAOYSA-N 1 0 413.565 4.710 40 0 HJABRO COc1ccccc1C[NH+]1CCC2(CC1)Oc1c(OC)cccc1[C@H]1OCCC[C@@H]12 ZINC000257246360 559284464 /nfs/dbraw/zinc/28/44/64/559284464.db2.gz ITTOUKQNZRRBGL-NZQKXSOJSA-N 1 0 409.526 4.599 40 0 HJABRO C[N@H+]1[C@H]2C=C(N(CCc3c[nH]c4ccccc34)C(=O)c3ccc(F)cc3)C[C@@H]1CC2 ZINC000000848778 559288959 /nfs/dbraw/zinc/28/89/59/559288959.db2.gz GGHRAFZJZACSIF-RTWAWAEBSA-N 1 0 403.501 4.742 40 0 HJABRO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](CC2CCCCC2)CC[C@@]1(C)O ZINC000514290021 560030788 /nfs/dbraw/zinc/03/07/88/560030788.db2.gz VALOAXHMDXHLGC-QNWVGRARSA-N 1 0 406.636 4.747 40 0 biogenic,in-vitro HJABRO C=C1[NH+]=C(SCC(C)C)N[C@@H](c2cccc(Br)c2)C1C(=O)OCC ZINC000408986477 560661635 /nfs/dbraw/zinc/66/16/35/560661635.db2.gz COBYOGOADFIRJM-INIZCTEOSA-N 1 0 411.365 4.676 40 0 HJABRO O=C(c1cc2c(cccc2Cl)[nH]1)N1CCCC2=C[C@@H]3C[C@@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000409414568 560723323 /nfs/dbraw/zinc/72/33/23/560723323.db2.gz MUMOMJJBRFKSKD-RZRCNZQPSA-N 1 0 409.961 4.857 40 0 HJABRO COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(C[N@@H+]3CCC[C@H](C)C3)cc1)CC(C)(C)O2 ZINC000260577984 560870507 /nfs/dbraw/zinc/87/05/07/560870507.db2.gz RLBRFBLRJFYDAH-MBSDFSHPSA-N 1 0 422.569 4.959 40 0 HJABRO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCOc3cccc4ccccc43)cc2)C1 ZINC000223547664 568551442 /nfs/dbraw/zinc/55/14/42/568551442.db2.gz LBJYCKTZCYFQMP-FQEVSTJZSA-N 1 0 402.538 4.881 40 0 HJABRO CCCc1ccc(OCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000224535512 568584001 /nfs/dbraw/zinc/58/40/01/568584001.db2.gz OHNKAUCAKAFCPG-UHFFFAOYSA-N 1 0 414.977 4.700 40 0 HJABRO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224676669 568591958 /nfs/dbraw/zinc/59/19/58/568591958.db2.gz MOGXMSQAPDTVBJ-HXUWFJFHSA-N 1 0 402.538 4.909 40 0 HJABRO CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224788145 568596873 /nfs/dbraw/zinc/59/68/73/568596873.db2.gz UWOUWKSFDXFRNL-VWLOTQADSA-N 1 0 402.538 4.909 40 0 HJABRO Cc1ccc(-c2nnc(NC(=O)C3CC[NH+](Cc4ccccc4F)CC3)s2)cc1 ZINC000225428850 568637299 /nfs/dbraw/zinc/63/72/99/568637299.db2.gz STOZLISWKYLBJR-UHFFFAOYSA-N 1 0 410.518 4.503 40 0 HJABRO COC1(C(=O)Nc2ccc(OCCC[NH+]3CCC(C)CC3)cc2)CCCCCC1 ZINC000225631648 568658816 /nfs/dbraw/zinc/65/88/16/568658816.db2.gz SBLIYRDUMZKUDZ-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225636761 568658941 /nfs/dbraw/zinc/65/89/41/568658941.db2.gz WYOVNAMKXAJKJT-JXALWOEJSA-N 1 0 402.579 4.864 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCCC1 ZINC000225654838 568660614 /nfs/dbraw/zinc/66/06/14/568660614.db2.gz HRAXQZMRMFMLKH-BGYRXZFFSA-N 1 0 402.579 4.721 40 0 HJABRO CCCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1)C1CC1 ZINC000225672806 568662738 /nfs/dbraw/zinc/66/27/38/568662738.db2.gz BCCSOHMEODAIIP-DEOSSOPVSA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCC(C)CC2)cc1 ZINC000225689401 568664648 /nfs/dbraw/zinc/66/46/48/568664648.db2.gz JTXRALHNYLETBB-XMMPIXPASA-N 1 0 404.595 4.967 40 0 HJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000225699311 568665731 /nfs/dbraw/zinc/66/57/31/568665731.db2.gz YEAUGMHZALWYHX-YOSAUDMPSA-N 1 0 404.595 4.967 40 0 HJABRO Cc1ccc(-c2nnc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)s2)cc1 ZINC000260769932 568738303 /nfs/dbraw/zinc/73/83/03/568738303.db2.gz SSBHPWLCOWUQSG-KRWDZBQOSA-N 1 0 406.555 4.998 40 0 HJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260818195 568740676 /nfs/dbraw/zinc/74/06/76/568740676.db2.gz XEQZWZBCQYAAAV-MZLICYQSSA-N 1 0 404.595 4.823 40 0 HJABRO Cc1ccc(OCCNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1Cl ZINC000260888409 568742643 /nfs/dbraw/zinc/74/26/43/568742643.db2.gz NFBGSJSNVXREAX-KRWDZBQOSA-N 1 0 400.950 4.689 40 0 HJABRO CC(C)[N@@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3ccc4ncccc4c3)c2)C1 ZINC000257264543 568793992 /nfs/dbraw/zinc/79/39/92/568793992.db2.gz LUXQBGCXUSIEGZ-NRFANRHFSA-N 1 0 412.541 4.830 40 0 HJABRO Cc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[NH2+][C@@H]3Cc2ccccc2)s1 ZINC000257270628 568795827 /nfs/dbraw/zinc/79/58/27/568795827.db2.gz MUZNFYLMYJOXOU-FPFQSLQCSA-N 1 0 409.599 4.506 40 0 HJABRO COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257278542 568798153 /nfs/dbraw/zinc/79/81/53/568798153.db2.gz OCQOVHDSJUJJIF-LJQANCHMSA-N 1 0 424.589 4.511 40 0 HJABRO CCn1c(C[N@@H+]2CC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)nc2ccccc21 ZINC000257287097 568800748 /nfs/dbraw/zinc/80/07/48/568800748.db2.gz POMXOROOVIRAGU-KRWDZBQOSA-N 1 0 418.570 4.949 40 0 HJABRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@H+](C)C2 ZINC000257330112 568813225 /nfs/dbraw/zinc/81/32/25/568813225.db2.gz XMWYNYJCJUPJBD-QPXQOZNCSA-N 1 0 413.562 4.735 40 0 HJABRO CC(C)n1cc(C[N@@H+]2CCC[C@@H](c3nc4ccc(-c5cccc(F)c5)cn4n3)C2)cn1 ZINC000306130630 568893040 /nfs/dbraw/zinc/89/30/40/568893040.db2.gz JLNMDLPSEZSXKX-OAQYLSRUSA-N 1 0 418.520 4.692 40 0 HJABRO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@]54C)[C@H]3C[N@@H+]2C1 ZINC000070707812 569057218 /nfs/dbraw/zinc/05/72/18/569057218.db2.gz NEMWYOKGHGSVSC-VEQVJXMCSA-N 1 0 415.662 4.563 40 0 HJABRO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@@H]4[C@@H](C[C@H]5[C@H]4C[C@H](O)[C@H]4C[C@@H](O)CC[C@@]54C)[C@@H]3C[N@@H+]2C1 ZINC000252461636 569286758 /nfs/dbraw/zinc/28/67/58/569286758.db2.gz NEMWYOKGHGSVSC-AGSGSVLHSA-N 1 0 415.662 4.563 40 0 biogenic HJABRO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@@H]3C[N@@H+]2C1 ZINC000252461638 569286803 /nfs/dbraw/zinc/28/68/03/569286803.db2.gz NEMWYOKGHGSVSC-ORPUPVDGSA-N 1 0 415.662 4.563 40 0 biogenic HJABRO CCc1cc(C(F)(F)F)n2nc([C@H]3CC[N@@H+]([C@H](C)Cc4ccc(F)cc4)C3)cc2n1 ZINC000252077229 569317265 /nfs/dbraw/zinc/31/72/65/569317265.db2.gz CZBRAZBQHFURHJ-ZBFHGGJFSA-N 1 0 420.454 4.870 40 0 HJABRO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000009063203 569342378 /nfs/dbraw/zinc/34/23/78/569342378.db2.gz MZHIFYIXUMSUQQ-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000044937211 569352088 /nfs/dbraw/zinc/35/20/88/569352088.db2.gz XSQROISHEKNCPW-URXFXBBRSA-N 1 0 412.549 4.950 40 0 HJABRO C[C@@H]1CC[C@H]2[C@H](C)[C@H]3CC[C@H]4[C@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]5C[C@H]4[C@@H]3C[N@@H+]2C1 ZINC000070707807 569352488 /nfs/dbraw/zinc/35/24/88/569352488.db2.gz NEMWYOKGHGSVSC-NRJMKECVSA-N 1 0 415.662 4.563 40 0 HJABRO Cc1cccc2c(C(=O)NC(C)(C)C[NH+]3CCCCC3)cc(-c3ccccn3)nc12 ZINC000141551352 569354812 /nfs/dbraw/zinc/35/48/12/569354812.db2.gz AHRALVYRIJHRTI-UHFFFAOYSA-N 1 0 402.542 4.600 40 0 HJABRO COC(=O)c1cccc2nc([C@H]3CC[N@H+](Cc4ccc(C(F)(F)F)cc4)C3)oc21 ZINC000035446964 291275742 /nfs/dbraw/zinc/27/57/42/291275742.db2.gz DWYVWHMOLKXAHK-AWEZNQCLSA-N 1 0 404.388 4.623 40 0 biogenic,in-vitro HJABRO COC(=O)[C@@H]1Cc2c3ccccc3[nH]c2[C@H]2C[C@@H]([NH2+]C(C)C)C[C@@H](c3ccccc3)N21 ZINC000012603122 291275790 /nfs/dbraw/zinc/27/57/90/291275790.db2.gz KPDCCKANZFZBLN-ABQRKTDGSA-N 1 0 417.553 4.510 40 0 biogenic,in-vitro HJABRO CC(C)Oc1cccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044882533 519783188 /nfs/dbraw/zinc/78/31/88/519783188.db2.gz NCKINWCCLHQNOH-HXUWFJFHSA-N 1 0 400.950 4.656 40 0 HJABRO CC(C)c1ccc(OCCOC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000040373299 519838152 /nfs/dbraw/zinc/83/81/52/519838152.db2.gz ZGNZMDOPVYOQCZ-VWLOTQADSA-N 1 0 411.586 4.521 40 0 HJABRO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000044786795 522222518 /nfs/dbraw/zinc/22/25/18/522222518.db2.gz FJVBFBGXYQZAQA-LJQANCHMSA-N 1 0 407.558 4.843 40 0 HJABRO CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875307 523061754 /nfs/dbraw/zinc/06/17/54/523061754.db2.gz CIVLIGJVYIVBGN-OAQYLSRUSA-N 1 0 400.950 4.800 40 0 HJABRO O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000007875178 557766184 /nfs/dbraw/zinc/76/61/84/557766184.db2.gz NCYFLFDWXDFXSY-UHFFFAOYSA-N 1 0 407.297 4.573 40 0 HJABRO O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000007875037 557766193 /nfs/dbraw/zinc/76/61/93/557766193.db2.gz GHKMELGVOZLEJX-UHFFFAOYSA-N 1 0 407.297 4.573 40 0 HJABRO COc1ccc(CC[NH2+][C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1OC ZINC000408734510 557800881 /nfs/dbraw/zinc/80/08/81/557800881.db2.gz WFTRPJUDYWVNQX-QHCPKHFHSA-N 1 0 424.928 4.869 40 0 HJABRO [NH2+]=C(Nc1cccc(Cl)c1)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 ZINC000009287029 557834281 /nfs/dbraw/zinc/83/42/81/557834281.db2.gz IAVXQHABXNDWEQ-UHFFFAOYSA-N 1 0 420.325 4.828 40 0 HJABRO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccc(Cl)cc1 ZINC000019753200 558272557 /nfs/dbraw/zinc/27/25/57/558272557.db2.gz CVVBBSGWZFXDSW-QGZVFWFLSA-N 1 0 424.907 4.819 40 0 HJABRO Cc1cc(C)n(C[C@@H](O)C[N@H+](Cc2ccco2)Cc2oc3ccc(C)cc3c2C)n1 ZINC000012186027 558345165 /nfs/dbraw/zinc/34/51/65/558345165.db2.gz GMWNYRLGFSATEZ-FQEVSTJZSA-N 1 0 407.514 4.519 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c(Cl)c1 ZINC000020494083 558379540 /nfs/dbraw/zinc/37/95/40/558379540.db2.gz NWKFEXOYBNAULA-UHFFFAOYSA-N 1 0 400.906 4.755 40 0 HJABRO CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000020495794 558380331 /nfs/dbraw/zinc/38/03/31/558380331.db2.gz RFHJGCFYKLXJTM-IBGZPJMESA-N 1 0 407.558 4.699 40 0 HJABRO c1ccc(COc2ccc3c(c2)Sc2ccccc2C(N2CC[NH2+]CC2)=N3)cc1 ZINC000022051195 558459917 /nfs/dbraw/zinc/45/99/17/558459917.db2.gz XFJQVRTWUFPAFS-UHFFFAOYSA-N 1 0 401.535 4.714 40 0 in-vitro HJABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)ccc1OCc1ccc(F)cc1Cl ZINC000022074784 558462420 /nfs/dbraw/zinc/46/24/20/558462420.db2.gz LUVUUVGREHCYLJ-NRFANRHFSA-N 1 0 415.892 4.890 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)c(C)c3)CC2)c1 ZINC000039752512 558687076 /nfs/dbraw/zinc/68/70/76/558687076.db2.gz ZVTRSKCVLPLDTA-UHFFFAOYSA-N 1 0 401.348 4.917 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3F)CC2)c1 ZINC000039751032 558687131 /nfs/dbraw/zinc/68/71/31/558687131.db2.gz KTLHOPOCWRMBCD-UHFFFAOYSA-N 1 0 405.311 4.747 40 0 HJABRO CCOc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000036612641 558728057 /nfs/dbraw/zinc/72/80/57/558728057.db2.gz SBADCTQNEPPYJN-RTBURBONSA-N 1 0 412.574 4.866 40 0 HJABRO COc1ccc(CN(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000030946094 558746167 /nfs/dbraw/zinc/74/61/67/558746167.db2.gz SRHWQESZUAZFKL-SFHVURJKSA-N 1 0 421.368 4.873 40 0 HJABRO O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030944207 558746177 /nfs/dbraw/zinc/74/61/77/558746177.db2.gz IYYAKEZLNGMNJO-HSZRJFAPSA-N 1 0 402.513 4.944 40 0 HJABRO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](Cc2cccc(OC3CCCC3)c2)CC1 ZINC000019021122 558837907 /nfs/dbraw/zinc/83/79/07/558837907.db2.gz STKDHZBNCHJASK-UHFFFAOYSA-N 1 0 410.533 4.775 40 0 HJABRO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1 ZINC000019081946 558840051 /nfs/dbraw/zinc/84/00/51/558840051.db2.gz GOQUGZPRCNEZDO-RDPSFJRHSA-N 1 0 416.569 4.745 40 0 HJABRO Cc1cc(-c2cnc(N(C)C)nc2[C@@H]2CCC[N@H+]2Cc2cccc(OC(C)C)c2)on1 ZINC000019122528 558843713 /nfs/dbraw/zinc/84/37/13/558843713.db2.gz NIIPEZZHKQONCO-NRFANRHFSA-N 1 0 421.545 4.630 40 0 HJABRO Cc1cc2cc(NC(=O)c3cc(C4CC[NH+](C5CCCC5)CC4)no3)ccc2n1C ZINC000019126238 558844632 /nfs/dbraw/zinc/84/46/32/558844632.db2.gz WYXVIBFOTRQEQF-UHFFFAOYSA-N 1 0 406.530 4.849 40 0 HJABRO OC1(Cn2ccc3ccncc32)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(Cl)c(Cl)c1 ZINC000019292826 558864566 /nfs/dbraw/zinc/86/45/66/558864566.db2.gz DJDIFVMYVHWIBW-VSOVRNOCSA-N 1 0 416.352 4.901 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CC[NH+](CC2CCCCC2)CC1 ZINC000019370404 558878558 /nfs/dbraw/zinc/87/85/58/558878558.db2.gz HSEFSCRIWSTCTL-AREMUKBSSA-N 1 0 405.586 4.774 40 0 HJABRO CC(C)CNC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CC[N@@H+](C2CCCC2)C1 ZINC000019447316 558886467 /nfs/dbraw/zinc/88/64/67/558886467.db2.gz RJIPUERLYCGXHS-SANMLTNESA-N 1 0 405.586 4.698 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3ccsc3)cc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449566 558888005 /nfs/dbraw/zinc/88/80/05/558888005.db2.gz WXRSGCCTDRYSMQ-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+](Cc4cccnc4)C3)cc2n1 ZINC000019452284 558890141 /nfs/dbraw/zinc/89/01/41/558890141.db2.gz IPERPZIYARYTCB-MRXNPFEDSA-N 1 0 403.452 4.646 40 0 HJABRO CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2ccsc2)CC1 ZINC000019530211 558911439 /nfs/dbraw/zinc/91/14/39/558911439.db2.gz NMZAJKIYOHZENZ-UHFFFAOYSA-N 1 0 410.539 4.791 40 0 HJABRO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000072330463 558934746 /nfs/dbraw/zinc/93/47/46/558934746.db2.gz DEONCXUXOAKGMU-NVQXNPDNSA-N 1 0 417.528 4.533 40 0 HJABRO CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CC[NH+](CCc3ccccc3)CC2)o1 ZINC000072344940 558941343 /nfs/dbraw/zinc/94/13/43/558941343.db2.gz KUVUHJIVFFPDKK-QFIPXVFZSA-N 1 0 424.589 4.591 40 0 HJABRO Nc1ncc(-c2cccc(F)c2)c([C@H]2CCC[N@H+](Cc3ccc4[nH]ccc4c3)C2)n1 ZINC000072346263 558943169 /nfs/dbraw/zinc/94/31/69/558943169.db2.gz XKDBJHDMBWXGLR-IBGZPJMESA-N 1 0 401.489 4.726 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)cn1 ZINC000072349993 558946945 /nfs/dbraw/zinc/94/69/45/558946945.db2.gz RXFSJXRKCKEWKL-LJQANCHMSA-N 1 0 414.475 4.804 40 0 HJABRO CC(=O)Nc1ccc(C[NH+]2CCC(c3cncc(-c4ccccc4C)n3)CC2)cc1 ZINC000072359717 558955366 /nfs/dbraw/zinc/95/53/66/558955366.db2.gz FSKPXVWCANWAPS-UHFFFAOYSA-N 1 0 400.526 4.790 40 0 HJABRO CCn1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3cccc(OC)c3)cc(C)n2)c1C ZINC000072372456 558959880 /nfs/dbraw/zinc/95/98/80/558959880.db2.gz PYVUFQDQGZLVTM-RUZDIDTESA-N 1 0 404.558 4.851 40 0 HJABRO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(c2cc(-c3cncnc3)cc(C)n2)CC1 ZINC000019692140 558961809 /nfs/dbraw/zinc/96/18/09/558961809.db2.gz CFKWAVRMWCPSGM-UHFFFAOYSA-N 1 0 404.562 4.621 40 0 HJABRO CCn1cc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c(C)n1 ZINC000019694345 558962741 /nfs/dbraw/zinc/96/27/41/558962741.db2.gz LLAUMXMLTMZYAY-JOCHJYFZSA-N 1 0 422.552 4.601 40 0 HJABRO CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3ncccc3C)n2)cc1CO ZINC000072375814 558964834 /nfs/dbraw/zinc/96/48/34/558964834.db2.gz VDVIIUIFCAMUDZ-QFIPXVFZSA-N 1 0 418.541 4.757 40 0 HJABRO COc1ccc(C)cc1C[NH+]1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000072391123 558971143 /nfs/dbraw/zinc/97/11/43/558971143.db2.gz CVPFYPKQMVNGKF-HSZRJFAPSA-N 1 0 409.574 4.514 40 0 HJABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c3cccnc3[nH]c2C(C)(C)C)cc1 ZINC000072393634 558972952 /nfs/dbraw/zinc/97/29/52/558972952.db2.gz LQNOUHLSVPDEEH-ULZZTYQWSA-N 1 0 419.569 4.884 40 0 HJABRO Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[NH+]4CCCCC4)C3)c(-c3ccncc3)c2c1 ZINC000072396629 558975523 /nfs/dbraw/zinc/97/55/23/558975523.db2.gz SYHHILDUADPGGW-OAQYLSRUSA-N 1 0 416.569 4.730 40 0 HJABRO COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000072398604 558975997 /nfs/dbraw/zinc/97/59/97/558975997.db2.gz WWQFYTGAMRRHEE-RDPSFJRHSA-N 1 0 423.601 4.823 40 0 HJABRO Fc1ccc(C[NH+]2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)cc1 ZINC000096038322 559091879 /nfs/dbraw/zinc/09/18/79/559091879.db2.gz VFLNBHZCEIRSPJ-UHFFFAOYSA-N 1 0 401.489 4.992 40 0 HJABRO COc1cccc(-c2ccc3nc(C4CC[NH+](Cc5ccc(F)cc5)CC4)nn3c2)c1 ZINC000096038225 559091959 /nfs/dbraw/zinc/09/19/59/559091959.db2.gz IFEROYYQUPCULV-UHFFFAOYSA-N 1 0 416.500 4.924 40 0 HJABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3ccc(OC)cc3)CC2)c2ccccc21 ZINC000096053045 559092876 /nfs/dbraw/zinc/09/28/76/559092876.db2.gz ICSQZDCMHDMWDQ-JOCHJYFZSA-N 1 0 420.597 4.975 40 0 HJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3ccc(OC)cc3)CC2)c2ccccc21 ZINC000096053046 559092880 /nfs/dbraw/zinc/09/28/80/559092880.db2.gz ICSQZDCMHDMWDQ-QFIPXVFZSA-N 1 0 420.597 4.975 40 0 HJABRO O=C(C[C@H]1CC2(CC[NH+](Cc3ccc(F)cc3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053100 559092966 /nfs/dbraw/zinc/09/29/66/559092966.db2.gz SHIPHFVJJGWJPX-NRFANRHFSA-N 1 0 422.544 4.643 40 0 HJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21 ZINC000096053461 559093438 /nfs/dbraw/zinc/09/34/38/559093438.db2.gz CDGACEMIRWHYIY-IBGZPJMESA-N 1 0 412.599 4.908 40 0 HJABRO O=C(Nc1ccccc1)N1C[C@@H]2C[NH+](CC(c3ccccc3)c3ccccc3)C[C@H]2C1 ZINC000096245599 559105157 /nfs/dbraw/zinc/10/51/57/559105157.db2.gz MBKQVMDLCDLFBL-ZEQRLZLVSA-N 1 0 411.549 4.914 40 0 HJABRO C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC[C@]2(O)CC[NH3+] ZINC000118926646 559206103 /nfs/dbraw/zinc/20/61/03/559206103.db2.gz RQLXCBXLAWPNRI-SQLUACQTSA-N 1 0 417.634 4.941 40 0 HJABRO CC1CC[NH+](C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)CC1 ZINC000226069954 559272790 /nfs/dbraw/zinc/27/27/90/559272790.db2.gz NZDKJILBTJCEBK-JOCHJYFZSA-N 1 0 405.623 4.889 40 0 HJABRO COc1ccc(-c2cccc([C@@H]3C[N@H+](Cc4cccc5ncccc45)CCO3)n2)cc1 ZINC000257223406 559283648 /nfs/dbraw/zinc/28/36/48/559283648.db2.gz DXFKPBUKQNVWJU-SANMLTNESA-N 1 0 411.505 4.879 40 0 HJABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC[C@H](Cc2cccc3ncccc23)C1 ZINC000257268614 559285042 /nfs/dbraw/zinc/28/50/42/559285042.db2.gz MMKRIWMTTDJRPV-OAQYLSRUSA-N 1 0 413.565 4.926 40 0 HJABRO O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1)NC12CC3CC(CC(C3)C1)C2 ZINC000004883332 560614818 /nfs/dbraw/zinc/61/48/18/560614818.db2.gz GABXTSZTXMEAEK-UKBGNOBASA-N 1 0 413.631 4.902 40 0 HJABRO Cc1cccc(OCc2nnc(SCC[NH+]3CCCC3)n2CCc2ccccc2)c1 ZINC000004936924 560615839 /nfs/dbraw/zinc/61/58/39/560615839.db2.gz HURWNQZKUOSVNW-UHFFFAOYSA-N 1 0 422.598 4.596 40 0 HJABRO CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000005946833 560739108 /nfs/dbraw/zinc/73/91/08/560739108.db2.gz BAGHGMQTDHHGBJ-UHFFFAOYSA-N 1 0 411.571 4.588 40 0 HJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006629872 560744533 /nfs/dbraw/zinc/74/45/33/560744533.db2.gz LJRCOHGJBCEFGS-UHFFFAOYSA-N 1 0 410.370 4.962 40 0 HJABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000219242575 568488525 /nfs/dbraw/zinc/48/85/25/568488525.db2.gz XLOFEZDWNZROTN-KRWDZBQOSA-N 1 0 424.570 4.692 40 0 HJABRO Cc1cc(-c2cnc(NC3CC[NH+](Cc4ccccc4)CC3)nc2C(C)(C)C)on1 ZINC000057761357 568496797 /nfs/dbraw/zinc/49/67/97/568496797.db2.gz ZWBBKXYCMPJFSA-UHFFFAOYSA-N 1 0 405.546 4.814 40 0 HJABRO Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1Cl ZINC000222859057 568528706 /nfs/dbraw/zinc/52/87/06/568528706.db2.gz YBYFFKSNAIADES-INIZCTEOSA-N 1 0 402.922 4.527 40 0 HJABRO O=C(NCCOc1cccc2ccccc21)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000223555119 568551621 /nfs/dbraw/zinc/55/16/21/568551621.db2.gz NDQUEUPPVIOELU-UHFFFAOYSA-N 1 0 422.956 4.900 40 0 HJABRO O=C(NCCOc1ccc2ccccc2c1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000223637714 568554370 /nfs/dbraw/zinc/55/43/70/568554370.db2.gz UBXGJKPQTQIBBR-QFIPXVFZSA-N 1 0 422.956 4.900 40 0 HJABRO Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cc[nH+]cc2)cc1 ZINC000224194830 568573254 /nfs/dbraw/zinc/57/32/54/568573254.db2.gz MYPNZDDRULSPKZ-XZOQPEGZSA-N 1 0 411.534 4.753 40 0 HJABRO CC(C)Sc1nnc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)s1 ZINC000224232168 568574659 /nfs/dbraw/zinc/57/46/59/568574659.db2.gz UVKCZRMXVLYPCM-UHFFFAOYSA-N 1 0 424.595 4.849 40 0 HJABRO CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000224515922 568583359 /nfs/dbraw/zinc/58/33/59/568583359.db2.gz ZYPXOUBVXNVPOP-QFIPXVFZSA-N 1 0 400.950 4.718 40 0 HJABRO S=C(Nc1ccc(Nc2ccccc2)cc1)N1CC[NH+](C2CCSCC2)CC1 ZINC000225216387 568623812 /nfs/dbraw/zinc/62/38/12/568623812.db2.gz SWCMECZPQPTICL-UHFFFAOYSA-N 1 0 412.628 4.640 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CCC(C)CC1 ZINC000225668541 568662243 /nfs/dbraw/zinc/66/22/43/568662243.db2.gz SVCOJLNRHILTSY-UHFFFAOYSA-N 1 0 402.579 4.865 40 0 HJABRO CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225688883 568664387 /nfs/dbraw/zinc/66/43/87/568664387.db2.gz XEQZWZBCQYAAAV-ROKPMTFOSA-N 1 0 404.595 4.823 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225715202 568667080 /nfs/dbraw/zinc/66/70/80/568667080.db2.gz GWWAIPLRLWPOJE-YOSAUDMPSA-N 1 0 402.579 4.721 40 0 HJABRO C[C@H]1CCC[N@H+](CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)C1 ZINC000225780098 568674193 /nfs/dbraw/zinc/67/41/93/568674193.db2.gz RMDJRQMKYRIOFK-SFHVURJKSA-N 1 0 400.950 4.771 40 0 HJABRO COc1cccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)c1 ZINC000225907700 568685101 /nfs/dbraw/zinc/68/51/01/568685101.db2.gz YMWJZKFUKVEKSH-MRXNPFEDSA-N 1 0 407.341 4.877 40 0 HJABRO COc1ccc(N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225907630 568685149 /nfs/dbraw/zinc/68/51/49/568685149.db2.gz AHBJVOWWYUBYJZ-INIZCTEOSA-N 1 0 407.341 4.877 40 0 HJABRO CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000260818227 568740616 /nfs/dbraw/zinc/74/06/16/568740616.db2.gz YEAUGMHZALWYHX-SKPFHBQLSA-N 1 0 404.595 4.967 40 0 HJABRO CCc1ccc(N2C[C@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408546 568767638 /nfs/dbraw/zinc/76/76/38/568767638.db2.gz VDCFQHKTYQYNKH-QHCPKHFHSA-N 1 0 401.477 4.501 40 0 HJABRO COc1ccc(Nc2cc(C)nc([C@@H]3CC[N@H+](Cc4cccnc4N(C)C)C3)c2)cc1 ZINC000257319432 568810333 /nfs/dbraw/zinc/81/03/33/568810333.db2.gz VSNFKOHYEHFZON-LJQANCHMSA-N 1 0 417.557 4.593 40 0 HJABRO O=C(CCc1c[nH]c2ccccc12)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257199331 569059033 /nfs/dbraw/zinc/05/90/33/569059033.db2.gz ZXJAOWMVDHPZJN-MIUUGJTFSA-N 1 0 403.570 4.522 40 0 HJABRO C[C@@H]1CC[C@@H]2[C@H](C)[C@@H]3CC[C@H]4[C@@H]5C[C@H](O)[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5C[C@@H]4[C@H]3C[N@@H+]2C1 ZINC000252461639 569286831 /nfs/dbraw/zinc/28/68/31/569286831.db2.gz NEMWYOKGHGSVSC-PMIGCPTASA-N 1 0 415.662 4.563 40 0 biogenic HJABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000019567292 569345663 /nfs/dbraw/zinc/34/56/63/569345663.db2.gz WWQFYTGAMRRHEE-HYBUGGRVSA-N 1 0 423.601 4.823 40 0 HJABRO CCn1nc2c(c1C(=O)Nc1cccc([C@@H]3C[C@H]([NH+](CC)CC)CCO3)c1)CCCC2 ZINC000019712243 569348336 /nfs/dbraw/zinc/34/83/36/569348336.db2.gz WNZFKEXYVUCGJK-OFNKIYASSA-N 1 0 424.589 4.596 40 0 HJABRO O=C(Nc1cccc(Cl)c1)c1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020241802 569349599 /nfs/dbraw/zinc/34/95/99/569349599.db2.gz MCODONMWLQIULE-UHFFFAOYSA-N 1 0 419.956 4.910 40 0 HJABRO CC[C@@H](NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856872 569352051 /nfs/dbraw/zinc/35/20/51/569352051.db2.gz IEYUBCLSROTVNP-PGRDOPGGSA-N 1 0 410.558 4.817 40 0 HJABRO Fc1ccc(-c2cnc(Nc3cccc(C[C@@H]4COC5(C4)CC[NH2+]CC5)n3)s2)cc1 ZINC000205617333 569387352 /nfs/dbraw/zinc/38/73/52/569387352.db2.gz IQTVESPECPPXJJ-INIZCTEOSA-N 1 0 424.545 4.789 40 0 HJABRO CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CC[NH+](Cc2ccccc2C)CC1 ZINC000019700489 569428706 /nfs/dbraw/zinc/42/87/06/569428706.db2.gz PIQFUDOQDXZSAV-UHFFFAOYSA-N 1 0 413.565 4.628 40 0 HJABRO COCCN1CC=CCC2(CC[NH+](Cc3cccc(-c4ccc(F)cc4)c3)CC2)C1=O ZINC000019742620 569429498 /nfs/dbraw/zinc/42/94/98/569429498.db2.gz MNUBJXILQJDVFM-UHFFFAOYSA-N 1 0 422.544 4.510 40 0 HJABRO CC(C)c1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329015861 571306451 /nfs/dbraw/zinc/30/64/51/571306451.db2.gz NCULIZMJOBSBGO-UHFFFAOYSA-N 1 0 408.590 5.135 40 0 HJABRO Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccc(OC(F)(F)F)cc4)C3)o2)cc1 ZINC000049169886 291279568 /nfs/dbraw/zinc/27/95/68/291279568.db2.gz GOSJBPRUNRYIKR-KRWDZBQOSA-N 1 0 403.404 4.933 40 0 biogenic,in-vitro HJABRO CC(C)Oc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000044932219 519779260 /nfs/dbraw/zinc/77/92/60/519779260.db2.gz VIYGAJZHZXNUCU-UHFFFAOYSA-N 1 0 400.950 4.656 40 0 HJABRO CC(C)Oc1cccc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c1 ZINC000044882536 519783222 /nfs/dbraw/zinc/78/32/22/519783222.db2.gz NCKINWCCLHQNOH-FQEVSTJZSA-N 1 0 400.950 4.656 40 0 HJABRO CCCOc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000044851585 520473874 /nfs/dbraw/zinc/47/38/74/520473874.db2.gz IWTCKLGMGRKPGM-UHFFFAOYSA-N 1 0 408.586 4.745 40 0 HJABRO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c(C)c1 ZINC000044912110 521491396 /nfs/dbraw/zinc/49/13/96/521491396.db2.gz QSNZCVLLKCAWAB-UHFFFAOYSA-N 1 0 414.933 4.676 40 0 HJABRO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1ccc(OC)cc1 ZINC000044936310 522669865 /nfs/dbraw/zinc/66/98/65/522669865.db2.gz AAXQQIAIYMIVPC-JOCHJYFZSA-N 1 0 400.950 4.828 40 0 HJABRO CC[C@@H](NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1)c1ccc(OC)c(OC)c1 ZINC000044856870 522782713 /nfs/dbraw/zinc/78/27/13/522782713.db2.gz RWBRMFMGDAOTME-JOCHJYFZSA-N 1 0 410.558 4.817 40 0 HJABRO CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000044872949 523045679 /nfs/dbraw/zinc/04/56/79/523045679.db2.gz MIYNADXRFSZINS-RUZDIDTESA-N 1 0 402.538 4.909 40 0 HJABRO O=C(CCc1ccco1)NC1CC[NH+](CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000045211287 526620440 /nfs/dbraw/zinc/62/04/40/526620440.db2.gz SQSMBCLFXHSESJ-UHFFFAOYSA-N 1 0 400.950 4.568 40 0 HJABRO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1OCc1ccccc1 ZINC000044872494 526656731 /nfs/dbraw/zinc/65/67/31/526656731.db2.gz PRMCMFHTHBNXNB-UHFFFAOYSA-N 1 0 400.522 4.791 40 0 HJABRO O=C(OCC[NH+](CCOC(=O)c1ccccc1)CCC1CCCCC1)c1ccccc1 ZINC000004747909 557592293 /nfs/dbraw/zinc/59/22/93/557592293.db2.gz ASXRGXUDVJKJSB-UHFFFAOYSA-N 1 0 423.553 4.973 40 0 HJABRO C[NH+](C)CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000008373840 557784190 /nfs/dbraw/zinc/78/41/90/557784190.db2.gz YTPQICLZIZNZST-UHFFFAOYSA-N 1 0 411.771 4.723 40 0 HJABRO CC(C)(C)Nc1c(C2CCN(C(=O)Cc3cccc(F)c3)CC2)[nH+]c2ccccn21 ZINC000012087448 558322367 /nfs/dbraw/zinc/32/23/67/558322367.db2.gz BVWZJUQWCRMHRD-UHFFFAOYSA-N 1 0 408.521 4.633 40 0 HJABRO COc1ccc(C[N@@H+](Cc2ccc(C)o2)C[C@H]2CCCO2)cc1Cn1nc(C)cc1C ZINC000012187440 558346323 /nfs/dbraw/zinc/34/63/23/558346323.db2.gz WAQXMBCNSIPTQW-HSZRJFAPSA-N 1 0 423.557 4.639 40 0 HJABRO O[C@H](C[NH+]1CCC2(CC1)C[C@@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000012329399 558383980 /nfs/dbraw/zinc/38/39/80/558383980.db2.gz XSZJQOXYYOOJBR-JWQCQUIFSA-N 1 0 415.533 4.738 40 0 HJABRO O=c1[nH]c2cc(Cl)cc(N3CC[NH+](Cc4cccc(-c5ccccc5)c4)CC3)c2o1 ZINC000022054302 558460132 /nfs/dbraw/zinc/46/01/32/558460132.db2.gz RWLBSOOQHDMEGO-UHFFFAOYSA-N 1 0 419.912 4.764 40 0 in-vitro HJABRO COc1ccc(-c2ccc(C[NH2+]CCc3ccc(OC)c(OC)c3)o2)cc1Cl ZINC000022076924 558462803 /nfs/dbraw/zinc/46/28/03/558462803.db2.gz IASPLXYGQFSDHR-UHFFFAOYSA-N 1 0 401.890 4.958 40 0 HJABRO COc1ccc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000030946102 558746224 /nfs/dbraw/zinc/74/62/24/558746224.db2.gz QGTFZXOYXNOATN-QGZVFWFLSA-N 1 0 421.368 4.873 40 0 HJABRO O=C(NCCSCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038848545 558818360 /nfs/dbraw/zinc/81/83/60/558818360.db2.gz JDTGIFPLIHJTAG-IBGZPJMESA-N 1 0 420.981 4.741 40 0 HJABRO COc1ccc(C[NH+]2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)c(C)c1C ZINC000019118664 558842598 /nfs/dbraw/zinc/84/25/98/558842598.db2.gz HSMBUFCXMFHDRE-UHFFFAOYSA-N 1 0 408.571 4.914 40 0 HJABRO Cc1ccc([C@@H](O)C[NH+]2CCC3(CC2)C[C@@H](O)c2cc(Cl)c(C)cc2O3)cc1C ZINC000019213481 558849369 /nfs/dbraw/zinc/84/93/69/558849369.db2.gz GVXCQUCJRYYZLB-YADHBBJMSA-N 1 0 415.961 4.649 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019236874 558856174 /nfs/dbraw/zinc/85/61/74/558856174.db2.gz ZRDXYACAOGFASE-VWLOTQADSA-N 1 0 417.528 4.912 40 0 HJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000019348869 558874665 /nfs/dbraw/zinc/87/46/65/558874665.db2.gz HQAXMORTNCCEEF-VWLOTQADSA-N 1 0 409.549 4.871 40 0 HJABRO O=C(c1ccccc1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccsc3)CC[C@H]21 ZINC000019368943 558877685 /nfs/dbraw/zinc/87/76/85/558877685.db2.gz CSERHFHHMBDRNP-YPAWHYETSA-N 1 0 408.592 4.940 40 0 HJABRO O=C(c1ccccc1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccs3)CC[C@H]21 ZINC000019368940 558877747 /nfs/dbraw/zinc/87/77/47/558877747.db2.gz KBGCYSPYFFSAJA-YPAWHYETSA-N 1 0 408.592 4.940 40 0 HJABRO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC000019370920 558878982 /nfs/dbraw/zinc/87/89/82/558878982.db2.gz TWANSWJNDYJRDR-WIOPSUGQSA-N 1 0 419.594 4.845 40 0 HJABRO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC000019405006 558884623 /nfs/dbraw/zinc/88/46/23/558884623.db2.gz CKSRYFQRHKEEQM-VABKMULXSA-N 1 0 409.599 4.654 40 0 HJABRO CC(C)NC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CC[N@H+](Cc2ccncc2)C1 ZINC000019449623 558888280 /nfs/dbraw/zinc/88/82/80/558888280.db2.gz XXCAYAVYCCBPKR-RUZDIDTESA-N 1 0 419.594 4.770 40 0 HJABRO CC1CCN(C(=O)c2cc([C@@H]3CCC[N@H+](Cc4cccc(Cl)c4)C3)no2)CC1 ZINC000019496748 558895626 /nfs/dbraw/zinc/89/56/26/558895626.db2.gz LZFUJYCOVZAANP-GOSISDBHSA-N 1 0 401.938 4.580 40 0 HJABRO COc1ccc(C[NH+]2CCC([C@@H](NC(=O)CC3CCCC3)c3ccccn3)CC2)cc1 ZINC000019554950 558917963 /nfs/dbraw/zinc/91/79/63/558917963.db2.gz DGOMQHRNEYMSBI-AREMUKBSSA-N 1 0 421.585 4.740 40 0 HJABRO Cc1noc2nc(C3CC[NH+](Cc4c[nH]nc4C(C)(C)C)CC3)cc(C(F)(F)F)c12 ZINC000019564992 558925014 /nfs/dbraw/zinc/92/50/14/558925014.db2.gz TWRAJQBPDNWKKK-UHFFFAOYSA-N 1 0 421.467 4.950 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(F)c1 ZINC000072330502 558934764 /nfs/dbraw/zinc/93/47/64/558934764.db2.gz OTUMIUCTZRIJTC-YKSBVNFPSA-N 1 0 421.491 4.743 40 0 HJABRO COc1ccccc1C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000072341440 558939756 /nfs/dbraw/zinc/93/97/56/558939756.db2.gz MHLJWTHDLJMNJQ-UNMCSNQZSA-N 1 0 421.566 4.535 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072349966 558946954 /nfs/dbraw/zinc/94/69/54/558946954.db2.gz HJYMUBYBIWVZGP-SFHVURJKSA-N 1 0 400.448 4.881 40 0 HJABRO CCn1cc(C[N@@H+]2CCC[C@@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1 ZINC000072354107 558951461 /nfs/dbraw/zinc/95/14/61/558951461.db2.gz CKMKWQJKWPNWBJ-HSZRJFAPSA-N 1 0 418.585 4.894 40 0 HJABRO CCn1cc(C[NH+]2CCC(c3cc(Cc4ccccc4OC)cc(C)n3)CC2)c(C)n1 ZINC000019691844 558961164 /nfs/dbraw/zinc/96/11/64/558961164.db2.gz AMTJFKXBTRJKJL-UHFFFAOYSA-N 1 0 418.585 4.894 40 0 HJABRO Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)CC4CCCC4)C3)c2)n1 ZINC000072374926 558963351 /nfs/dbraw/zinc/96/33/51/558963351.db2.gz GJQUVBPBQYMWNB-FQEVSTJZSA-N 1 0 407.562 4.827 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)c2cc(F)ccc21 ZINC000072376095 558965143 /nfs/dbraw/zinc/96/51/43/558965143.db2.gz ZCXOZFQRXMMURS-KRWDZBQOSA-N 1 0 416.504 4.626 40 0 HJABRO Cc1nc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019709328 558971435 /nfs/dbraw/zinc/97/14/35/558971435.db2.gz FZMCRJUOKNPWTB-XMMPIXPASA-N 1 0 421.491 4.935 40 0 HJABRO CCN(CC)C(=O)C[C@@H]1CC2(CC[NH+](Cc3c(C)noc3C)CC2)c2ccccc21 ZINC000096053039 559092896 /nfs/dbraw/zinc/09/28/96/559092896.db2.gz WCAZHLRUKNFRKH-HXUWFJFHSA-N 1 0 409.574 4.571 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)N2CCCC2)c2ccccc2O3)s1 ZINC000096053218 559093106 /nfs/dbraw/zinc/09/31/06/559093106.db2.gz FVMNEOFYOQXFAR-HXUWFJFHSA-N 1 0 424.610 4.970 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](CC(=O)NC2CC2)c2ccccc2O3)s1 ZINC000096053426 559093392 /nfs/dbraw/zinc/09/33/92/559093392.db2.gz YURHYTKUHVLWJX-SFHVURJKSA-N 1 0 410.583 4.626 40 0 HJABRO Cn1cnc2c1cc(C1CC[NH+](Cc3ccc(F)cc3)CC1)nc2-c1cccnc1 ZINC000096099948 559095187 /nfs/dbraw/zinc/09/51/87/559095187.db2.gz PWGWEMPCBFPNBG-UHFFFAOYSA-N 1 0 401.489 4.549 40 0 HJABRO Clc1ccc2ncc(-c3cccc([C@H]4CCC[N@H+](Cc5cccnc5)C4)n3)n2c1 ZINC000585263018 559111413 /nfs/dbraw/zinc/11/14/13/559111413.db2.gz VSPDOXKUEUSWPD-SFHVURJKSA-N 1 0 403.917 4.824 40 0 HJABRO O=C(NCc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000096625779 559111771 /nfs/dbraw/zinc/11/17/71/559111771.db2.gz HTLLARKJPZIFMU-UHFFFAOYSA-N 1 0 410.867 4.887 40 0 HJABRO COC1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000585263129 559111836 /nfs/dbraw/zinc/11/18/36/559111836.db2.gz NSCDLYUBQFNLDP-UHFFFAOYSA-N 1 0 420.597 4.682 40 0 HJABRO CC(=O)NCc1cc([C@@H]2CCC[N@@H+]2Cc2ccccc2OCc2ccccc2)ccn1 ZINC000257297921 559285951 /nfs/dbraw/zinc/28/59/51/559285951.db2.gz RJIPKYROXBONLD-VWLOTQADSA-N 1 0 415.537 4.634 40 0 HJABRO CCOc1cc(C(=O)Nc2ccc(C[NH+](CC)CC)cc2)cc(OCC)c1OCC ZINC000006325227 560741715 /nfs/dbraw/zinc/74/17/15/560741715.db2.gz BAXXWTBQHKNIDD-UHFFFAOYSA-N 1 0 414.546 4.977 40 0 HJABRO CC[NH+](CC)Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000006629877 560744503 /nfs/dbraw/zinc/74/45/03/560744503.db2.gz CDZZPGNFJFSLAS-UHFFFAOYSA-N 1 0 410.370 4.962 40 0 HJABRO COc1cccc(C[NH+]2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1OC ZINC000057774527 568497411 /nfs/dbraw/zinc/49/74/11/568497411.db2.gz HRWAJIMXHSTRPT-UHFFFAOYSA-N 1 0 419.447 4.979 40 0 HJABRO COC(=O)c1cn(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc12 ZINC000222639917 568521762 /nfs/dbraw/zinc/52/17/62/568521762.db2.gz WOCFWGHFMQDTGG-QGZVFWFLSA-N 1 0 410.901 4.634 40 0 HJABRO Cc1ccc(OCCNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)cc1Cl ZINC000224172352 568572423 /nfs/dbraw/zinc/57/24/23/568572423.db2.gz UFDDAOFESVPKDY-UHFFFAOYSA-N 1 0 400.950 4.833 40 0 HJABRO CC[C@@H](Oc1cccc2ccccc21)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000224787994 568596855 /nfs/dbraw/zinc/59/68/55/568596855.db2.gz ZHIPGMLVRMBXQV-XMMPIXPASA-N 1 0 402.538 4.909 40 0 HJABRO CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224837030 568599362 /nfs/dbraw/zinc/59/93/62/568599362.db2.gz CUMBWZQMYUSGEA-QFIPXVFZSA-N 1 0 400.950 4.800 40 0 HJABRO O=C(Nc1nnc(-c2ccccc2)s1)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000225194851 568621873 /nfs/dbraw/zinc/62/18/73/568621873.db2.gz OWTVLWBCEZFDGX-QGZVFWFLSA-N 1 0 412.946 4.709 40 0 HJABRO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)s1 ZINC000225482965 568641786 /nfs/dbraw/zinc/64/17/86/568641786.db2.gz VEIMRGIXRRCEPV-UHFFFAOYSA-N 1 0 410.996 4.544 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@@H+]3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 ZINC000225715267 568666949 /nfs/dbraw/zinc/66/69/49/568666949.db2.gz DFNLXPQWIMXCRU-JXALWOEJSA-N 1 0 402.579 4.864 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@@H](C)C1 ZINC000225715343 568667030 /nfs/dbraw/zinc/66/70/30/568667030.db2.gz DGVTZKMVEXOKIA-NAZDKBRTSA-N 1 0 416.606 4.967 40 0 HJABRO COc1ccc(N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225907610 568685052 /nfs/dbraw/zinc/68/50/52/568685052.db2.gz AHBJVOWWYUBYJZ-MRXNPFEDSA-N 1 0 407.341 4.877 40 0 HJABRO CCc1ccc(N2C[C@@](O)(c3ccc(OC(F)F)cc3)[N+]3=C2CCCCC3)cc1 ZINC000022408549 568767590 /nfs/dbraw/zinc/76/75/90/568767590.db2.gz VDCFQHKTYQYNKH-HSZRJFAPSA-N 1 0 401.477 4.501 40 0 HJABRO CN(C)c1cc([C@@H]2CCC[N@H+](Cc3ccccc3OCc3ccccn3)C2)ccn1 ZINC000257233004 568785546 /nfs/dbraw/zinc/78/55/46/568785546.db2.gz GNIFMUBSJALMLF-OAQYLSRUSA-N 1 0 402.542 4.501 40 0 HJABRO Oc1cccc2c1OC1(CC[NH+](Cc3ccc4ncccc4c3)CC1)[C@H]1CCCO[C@H]21 ZINC000257241027 568787760 /nfs/dbraw/zinc/78/77/60/568787760.db2.gz HWILCGWLUSLEPN-XUZZJYLKSA-N 1 0 416.521 4.835 40 0 HJABRO CCCCC[C@]1(O)CCN(CC(=O)Nc2c(C)cccc2C)C[C@@H]1Oc1ccccc1 ZINC000257254665 568791545 /nfs/dbraw/zinc/79/15/45/568791545.db2.gz KEEJMPFQRZRVAN-OZXSUGGESA-N 1 0 424.585 4.707 40 0 HJABRO COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)c4ccc(C)nc4)C3)c2)cc1 ZINC000257273169 568796523 /nfs/dbraw/zinc/79/65/23/568796523.db2.gz NFNGDVLAMMKGPH-HXUWFJFHSA-N 1 0 416.525 4.865 40 0 HJABRO COc1ccc(CN2CCc3nc([C@H]4CCC[N@@H+]4C4CCCCC4)ccc3C2=O)cc1 ZINC000257300073 568804385 /nfs/dbraw/zinc/80/43/85/568804385.db2.gz RSTXXFHOILXQMT-RUZDIDTESA-N 1 0 419.569 4.758 40 0 HJABRO COc1ccc(CN2CCc3nc([C@@H]4CCC[N@@H+]4C4CCCCC4)ccc3C2=O)cc1 ZINC000257300074 568804402 /nfs/dbraw/zinc/80/44/02/568804402.db2.gz RSTXXFHOILXQMT-VWLOTQADSA-N 1 0 419.569 4.758 40 0 HJABRO Cn1cc(C[NH+]2CCC(c3cccc(Nc4cnccn4)n3)CC2)c2cc(F)ccc21 ZINC000257323005 568811281 /nfs/dbraw/zinc/81/12/81/568811281.db2.gz WIJNNCBHQZQDMN-UHFFFAOYSA-N 1 0 416.504 4.626 40 0 HJABRO Cc1nc(N2CCc3ccc(OC(F)(F)F)cc3C2)cc(NC2CCCCC2)[nH+]1 ZINC000329023059 568973348 /nfs/dbraw/zinc/97/33/48/568973348.db2.gz ORPRUROHWOQJNI-UHFFFAOYSA-N 1 0 406.452 4.991 40 0 HJABRO Cc1cc(N2CCc3cc(OC(F)(F)F)ccc3C2)nc(NC2CCCCC2)[nH+]1 ZINC000329048380 568974472 /nfs/dbraw/zinc/97/44/72/568974472.db2.gz UJRSNQPSBCZKPU-UHFFFAOYSA-N 1 0 406.452 4.991 40 0 HJABRO COc1ccc(OC[C@@H](O)C[NH+]2CCC(Cc3ccccc3)CC2)c(C(C)(C)C)c1 ZINC000006306045 569009397 /nfs/dbraw/zinc/00/93/97/569009397.db2.gz IFXDKELIMFGTJX-QFIPXVFZSA-N 1 0 411.586 4.687 40 0 HJABRO CNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000247931198 569315814 /nfs/dbraw/zinc/31/58/14/569315814.db2.gz FXAKAGBHVQPKDR-KDYSTLNUSA-N 1 0 413.565 4.533 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3)c3nccs3)C2)c1 ZINC000012183404 569344685 /nfs/dbraw/zinc/34/46/85/569344685.db2.gz QCWKLVUBLXGGEI-IFMALSPDSA-N 1 0 421.566 4.535 40 0 HJABRO CC[NH+](CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1 ZINC000008783005 569390350 /nfs/dbraw/zinc/39/03/50/569390350.db2.gz WBTAFHCOUCNRDI-UHFFFAOYSA-N 1 0 402.922 4.524 40 0 HJABRO C[NH+]1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccccc6)nc5c4)nc3c2)CC1 ZINC000013652034 569398955 /nfs/dbraw/zinc/39/89/55/569398955.db2.gz SOUKAPYFWOYMNH-UHFFFAOYSA-N 1 0 408.509 4.525 40 0 HJABRO C[C@@H]([C@H]1[C@H](O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)[C@H]1CC[C@@H](C)C[NH2+]1 ZINC000070691648 569413450 /nfs/dbraw/zinc/41/34/50/569413450.db2.gz IRRHFODGOMSPEE-QKVRCUAGSA-N 1 0 415.662 4.921 40 0 biogenic HJABRO NC(=O)c1cccc(-c2ccc(C3CC[NH+](Cc4ccnc5ccccc45)CC3)nc2)c1 ZINC000019689080 569428405 /nfs/dbraw/zinc/42/84/05/569428405.db2.gz BAVYLSLRRJZCDQ-UHFFFAOYSA-N 1 0 422.532 4.775 40 0 HJABRO COc1ccccc1/C=C/C[N@@H+]1[C@H](Cc2cccc(F)c2)C[C@@H]2NC(=O)CCCC[C@H]21 ZINC000019713469 569429054 /nfs/dbraw/zinc/42/90/54/569429054.db2.gz YEURJWITIQXTND-PPTRPJPMSA-N 1 0 422.544 4.592 40 0 HJABRO CC(C)c1cc(N2CCc3cc(Br)ccc3C2)nc(NC2CCCC2)[nH+]1 ZINC000328968017 571306420 /nfs/dbraw/zinc/30/64/20/571306420.db2.gz CWWYKRWSYPIDNF-UHFFFAOYSA-N 1 0 415.379 5.280 40 0 HJABRO CC(C)(C)c1ccc(-c2cc(C[C@H]3C[NH2+]CC[C@H]3CC(=O)N3CCCCC3)no2)cc1 ZINC000015673751 291273091 /nfs/dbraw/zinc/27/30/91/291273091.db2.gz UFRKIXOITVIVRH-SFTDATJTSA-N 1 0 423.601 4.810 40 0 biogenic,in-vitro HJABRO CC1(C)C[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)c2ccccc2O1 ZINC000044918107 520551651 /nfs/dbraw/zinc/55/16/51/520551651.db2.gz DVBXOJVCDQKCPK-NQIIRXRSSA-N 1 0 412.961 4.971 40 0 HJABRO CCOc1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1OCC ZINC000044905199 520997675 /nfs/dbraw/zinc/99/76/75/520997675.db2.gz JEPVLAYKXMXBPH-LJQANCHMSA-N 1 0 410.558 4.646 40 0 HJABRO CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000044875313 523051223 /nfs/dbraw/zinc/05/12/23/523051223.db2.gz BPQAWRXIPQYKQY-JOCHJYFZSA-N 1 0 400.950 4.800 40 0 HJABRO CN(C)C(=O)c1sc2ncccc2c1[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352549 524032140 /nfs/dbraw/zinc/03/21/40/524032140.db2.gz UGMSADZRCSMSJC-SFHVURJKSA-N 1 0 416.550 4.536 40 0 HJABRO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000044937308 525345683 /nfs/dbraw/zinc/34/56/83/525345683.db2.gz QAMHHBDEPVGGFB-DEOSSOPVSA-N 1 0 412.549 4.950 40 0 HJABRO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000044855704 525553445 /nfs/dbraw/zinc/55/34/45/525553445.db2.gz HJCPXZIHEVEYFU-JOCHJYFZSA-N 1 0 408.542 4.713 40 0 HJABRO CCOc1ccc(N(CC[NH+](C)C)C(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000001758903 557285441 /nfs/dbraw/zinc/28/54/41/557285441.db2.gz BWUYHRBYBIEZKA-UHFFFAOYSA-N 1 0 402.538 4.812 40 0 HJABRO C[NH+](C)CCCNCc1cc(Br)ccc1OCc1ccccc1Cl ZINC000008373847 557784255 /nfs/dbraw/zinc/78/42/55/557784255.db2.gz NBVXOJFPNZILNH-UHFFFAOYSA-N 1 0 411.771 4.723 40 0 HJABRO C[C@H](C[N@@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1)c1ccccc1 ZINC000036719523 557850047 /nfs/dbraw/zinc/85/00/47/557850047.db2.gz AMPDDSIZYOYEQN-CBQOVEMMSA-N 1 0 420.582 4.525 40 0 HJABRO O=C(NCCSCc1cccc(Cl)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010329555 557860436 /nfs/dbraw/zinc/86/04/36/557860436.db2.gz IDTCIVSIYQTEDN-UHFFFAOYSA-N 1 0 402.991 4.989 40 0 HJABRO O=C(NCCSCc1ccccc1Cl)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000010333910 557860830 /nfs/dbraw/zinc/86/08/30/557860830.db2.gz GTOBJJYPJBYTGV-UHFFFAOYSA-N 1 0 402.991 4.989 40 0 HJABRO COc1ccc(CC[N@H+](Cc2c[nH]c3ccccc23)Cc2ccncc2)cc1OC ZINC000012118077 558329542 /nfs/dbraw/zinc/32/95/42/558329542.db2.gz GCIDDAJRMKHJPO-UHFFFAOYSA-N 1 0 401.510 4.825 40 0 HJABRO CCn1c(CN(Cc2ccncc2)C2CC(C)(C)[NH2+]C(C)(C)C2)nc2ccccc21 ZINC000012143709 558335648 /nfs/dbraw/zinc/33/56/48/558335648.db2.gz YAQRWKRRBZWNIC-UHFFFAOYSA-N 1 0 405.590 4.763 40 0 HJABRO Cc1nc(-c2ccc(C)cc2C)c(CC(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)s1 ZINC000012238222 558359156 /nfs/dbraw/zinc/35/91/56/558359156.db2.gz BZMGSNJNVBOIKX-HXUWFJFHSA-N 1 0 411.615 4.755 40 0 HJABRO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1ccccc1 ZINC000012408205 558399219 /nfs/dbraw/zinc/39/92/19/558399219.db2.gz JUNUIEZXUONSIU-PZJWPPBQSA-N 1 0 409.530 4.666 40 0 HJABRO Cc1cccc(C[NH+]2CCC(C(=O)NCCCc3ccc(OC(C)C)cc3)CC2)c1 ZINC000039772877 558686300 /nfs/dbraw/zinc/68/63/00/558686300.db2.gz ASPKGEZDIOIYPV-UHFFFAOYSA-N 1 0 408.586 4.743 40 0 HJABRO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)c1 ZINC000039743173 558686796 /nfs/dbraw/zinc/68/67/96/558686796.db2.gz IVASZZWNVVOJMB-UHFFFAOYSA-N 1 0 400.950 4.656 40 0 HJABRO Cc1ccc(CSCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)cc1 ZINC000039753344 558687285 /nfs/dbraw/zinc/68/72/85/558687285.db2.gz QTFSDUZYHNZNOI-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO COc1cc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)ccc1OC(C)C ZINC000030860111 558741645 /nfs/dbraw/zinc/74/16/45/558741645.db2.gz RCGANABLQYDSPQ-IBGZPJMESA-N 1 0 410.558 4.644 40 0 HJABRO O=C(Nc1ccc(Br)cc1F)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000030938562 558745149 /nfs/dbraw/zinc/74/51/49/558745149.db2.gz YBCRIHYJZRWQAI-AWEZNQCLSA-N 1 0 409.274 4.578 40 0 HJABRO CC1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)CC1 ZINC000038756846 558814965 /nfs/dbraw/zinc/81/49/65/558814965.db2.gz FJRURYLSMUGYNI-UHFFFAOYSA-N 1 0 407.558 4.699 40 0 HJABRO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccccc2OC2CCCC2)CC1 ZINC000019021138 558837928 /nfs/dbraw/zinc/83/79/28/558837928.db2.gz RKLKLXNLGKLRLR-UHFFFAOYSA-N 1 0 410.533 4.775 40 0 HJABRO COc1ccccc1/C=C/C[N@@H+]1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081773 558839795 /nfs/dbraw/zinc/83/97/95/558839795.db2.gz MFADXOOQCKMLBA-KTOXQQQISA-N 1 0 421.585 4.719 40 0 HJABRO Cc1ccc(C2(C[NH+]3CCC(NC(=O)C4CCC(=O)CC4)CC3)CCCCC2)cc1 ZINC000019208537 558847579 /nfs/dbraw/zinc/84/75/79/558847579.db2.gz JDQNUCZWTKRTBY-UHFFFAOYSA-N 1 0 410.602 4.537 40 0 HJABRO Cc1c2cc(C)ccc2oc1C[NH2+][C@@H](c1cc(=O)[nH]c(-c2cccnc2)n1)C(C)C ZINC000019220510 558851650 /nfs/dbraw/zinc/85/16/50/558851650.db2.gz JMBUHPSKSACYBA-HSZRJFAPSA-N 1 0 402.498 4.682 40 0 HJABRO Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019236810 558855881 /nfs/dbraw/zinc/85/58/81/558855881.db2.gz XOXJGZHJMGRMII-SGIRGMQISA-N 1 0 403.570 4.929 40 0 HJABRO Cc1cccn2c(NC(C)(C)C)c(C3CCN(C(=O)c4cc(C(C)C)on4)CC3)[nH+]c12 ZINC000019237595 558856780 /nfs/dbraw/zinc/85/67/80/558856780.db2.gz OGBVPPFPBVNPCG-UHFFFAOYSA-N 1 0 423.561 4.984 40 0 HJABRO O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@H+](Cc3cccc(F)c3)CC[C@@H]21 ZINC000019293883 558865418 /nfs/dbraw/zinc/86/54/18/558865418.db2.gz MAIMAKIQOATCKX-VABKMULXSA-N 1 0 412.574 4.894 40 0 HJABRO FC(F)(F)c1ccc(-c2noc(CN3CCC([NH+]4CCCCCC4)CC3)n2)cc1 ZINC000019336958 558870338 /nfs/dbraw/zinc/87/03/38/558870338.db2.gz YXRNRJNGCPUQDA-UHFFFAOYSA-N 1 0 408.468 4.596 40 0 HJABRO O=C(NC1CCCCC1)c1cc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019347027 558873662 /nfs/dbraw/zinc/87/36/62/558873662.db2.gz RZKHVGLOGKBUMP-HXUWFJFHSA-N 1 0 418.541 4.665 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019370368 558878620 /nfs/dbraw/zinc/87/86/20/558878620.db2.gz DEONCXUXOAKGMU-BKMJKUGQSA-N 1 0 417.528 4.533 40 0 HJABRO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1)c1cccc(F)c1 ZINC000019400475 558883187 /nfs/dbraw/zinc/88/31/87/558883187.db2.gz QOWLDWRIHCBQLS-ZCVJKFOLSA-N 1 0 407.533 4.760 40 0 HJABRO CC(C)Oc1ccc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1 ZINC000019450594 558888822 /nfs/dbraw/zinc/88/88/22/558888822.db2.gz LTUHUMMRPGRIHN-XMMPIXPASA-N 1 0 423.601 4.984 40 0 HJABRO CC(C)c1ccc(C[NH+]2CCC(c3cc(C(=O)NCc4cccnc4)on3)CC2)cc1 ZINC000019453192 558890753 /nfs/dbraw/zinc/89/07/53/558890753.db2.gz DKFKVTWRJYNJCO-UHFFFAOYSA-N 1 0 418.541 4.503 40 0 HJABRO COc1cc2c(cc1OC)[C@@H]([C@@H](C)c1ccccc1)[NH2+][C@@H](c1cccnc1OC)C2 ZINC000019459502 558893060 /nfs/dbraw/zinc/89/30/60/558893060.db2.gz OJQFZPDNOZSLNT-VZDNWZCBSA-N 1 0 404.510 4.839 40 0 HJABRO COc1cc(C)c(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1C ZINC000019567267 558926732 /nfs/dbraw/zinc/92/67/32/558926732.db2.gz RCEHUROTKZUMJL-XMMPIXPASA-N 1 0 423.601 4.823 40 0 HJABRO COc1ccc(C[NH+]2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)cc1 ZINC000019569121 558928335 /nfs/dbraw/zinc/92/83/35/558928335.db2.gz KNGZMASULAYUPQ-UHFFFAOYSA-N 1 0 405.420 4.938 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)C1CCCC1 ZINC000072330399 558934528 /nfs/dbraw/zinc/93/45/28/558934528.db2.gz PGZHCWHVWAKBRQ-CVDCTZTESA-N 1 0 413.512 4.620 40 0 HJABRO COc1cccc(C[NH2+][C@@H](Cc2cc(N(C)C)nc(C3CC3)n2)c2ccccc2)c1 ZINC000019584271 558938284 /nfs/dbraw/zinc/93/82/84/558938284.db2.gz SHSBWCGWVJZANV-QHCPKHFHSA-N 1 0 402.542 4.502 40 0 HJABRO CC(C)(C)c1cc2nc(C3CC[NH+](Cc4ccccn4)CC3)cc(C(F)(F)F)n2n1 ZINC000072341088 558939573 /nfs/dbraw/zinc/93/95/73/558939573.db2.gz JVSMQNNTITWQOG-UHFFFAOYSA-N 1 0 417.479 4.820 40 0 HJABRO CCCc1ccc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cc(C)no2)s1 ZINC000072341495 558939982 /nfs/dbraw/zinc/93/99/82/558939982.db2.gz BTIMKPHFSPBQMM-IBGZPJMESA-N 1 0 411.575 4.857 40 0 HJABRO Cc1ccc(C[NH+]2CCC(c3nnc([C@H]4CCCCN4C(=O)CC(C)C)o3)CC2)cc1 ZINC000072344942 558941372 /nfs/dbraw/zinc/94/13/72/558941372.db2.gz MASOKFYGHLYZAC-JOCHJYFZSA-N 1 0 424.589 4.857 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cn1 ZINC000072349967 558946916 /nfs/dbraw/zinc/94/69/16/558946916.db2.gz HJYMUBYBIWVZGP-GOSISDBHSA-N 1 0 400.448 4.881 40 0 HJABRO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)CC(C)(C)O3)n1 ZINC000019690997 558960480 /nfs/dbraw/zinc/96/04/80/558960480.db2.gz DCKCWDUIJIZUMN-QHCPKHFHSA-N 1 0 400.526 4.898 40 0 HJABRO Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2Cc2ccc3c(c2)CC(C)(C)O3)[nH+]1 ZINC000072372694 558960627 /nfs/dbraw/zinc/96/06/27/558960627.db2.gz MFIXDYRVMWKUJR-QFIPXVFZSA-N 1 0 415.541 4.974 40 0 HJABRO Cc1cc(-c2ccc(N)nc2)cc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)n1 ZINC000019692188 558961876 /nfs/dbraw/zinc/96/18/76/558961876.db2.gz IQWBIJYGCFGIPW-UHFFFAOYSA-N 1 0 409.537 4.962 40 0 HJABRO CCn1ncc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)c1C ZINC000019694356 558962774 /nfs/dbraw/zinc/96/27/74/558962774.db2.gz VDXSSUNNWWFJDM-QFIPXVFZSA-N 1 0 422.552 4.601 40 0 HJABRO O=C1[C@H](C2CC[NH+](CCc3ccccc3)CC2)CC=CCN1Cc1ccc(F)cc1 ZINC000019696286 558964532 /nfs/dbraw/zinc/96/45/32/558964532.db2.gz ZKJFWAZLQOCDDE-VWLOTQADSA-N 1 0 406.545 4.685 40 0 HJABRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc(Nc3cnccn3)n2)c2cc(F)ccc21 ZINC000072375754 558964634 /nfs/dbraw/zinc/96/46/34/558964634.db2.gz KSKAOXYDUFMMJS-NRFANRHFSA-N 1 0 402.477 4.583 40 0 HJABRO COc1cc(C)ccc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc2nc(C)cc(C)n2)n1 ZINC000072375725 558964666 /nfs/dbraw/zinc/96/46/66/558964666.db2.gz MCYLFNPWGDUKGD-OAQYLSRUSA-N 1 0 403.530 4.886 40 0 HJABRO COc1ccc(C[NH+]2CCC([C@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cc1 ZINC000019698356 558965958 /nfs/dbraw/zinc/96/59/58/558965958.db2.gz LCYRKAUYLMMQPR-RUZDIDTESA-N 1 0 422.544 4.651 40 0 HJABRO COc1ccc(C)cc1C[NH+]1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 ZINC000072391122 558971130 /nfs/dbraw/zinc/97/11/30/558971130.db2.gz CVPFYPKQMVNGKF-QHCPKHFHSA-N 1 0 409.574 4.514 40 0 HJABRO Cn1cc(C[NH+]2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c2ccccc21 ZINC000072394590 558973503 /nfs/dbraw/zinc/97/35/03/558973503.db2.gz ULMVAMLVVYGRTH-OAQYLSRUSA-N 1 0 424.614 4.750 40 0 HJABRO COc1ccccc1-c1ccccc1C[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000019714575 558974614 /nfs/dbraw/zinc/97/46/14/558974614.db2.gz KNCSWWCEMBBQTC-UHFFFAOYSA-N 1 0 402.538 4.831 40 0 HJABRO Cc1nccn1CC1CC[NH+](Cc2c(-c3ccc(F)cc3)nc3ccccn32)CC1 ZINC000019715781 558976978 /nfs/dbraw/zinc/97/69/78/558976978.db2.gz RTSREVNBLUZCMA-UHFFFAOYSA-N 1 0 403.505 4.558 40 0 HJABRO Cc1nccn1C[C@@H]1CCC[N@H+](Cc2c(-c3ccc(F)cc3)nc3sccn23)C1 ZINC000019715785 558977062 /nfs/dbraw/zinc/97/70/62/558977062.db2.gz BGOCFRHOGMYJJV-QGZVFWFLSA-N 1 0 409.534 4.619 40 0 HJABRO CCN(CC)C(=O)C[C@H]1CC2(CC[NH+](Cc3csc(C)n3)CC2)c2ccccc21 ZINC000096053042 559092912 /nfs/dbraw/zinc/09/29/12/559092912.db2.gz HBOKSSHEAXMWJC-IBGZPJMESA-N 1 0 411.615 4.731 40 0 HJABRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ccc(-c4noc(C(F)(F)F)n4)cn3)C2)cc1 ZINC000585289455 559122390 /nfs/dbraw/zinc/12/23/90/559122390.db2.gz GVMPUAYGMGQJAJ-MRXNPFEDSA-N 1 0 418.419 4.539 40 0 HJABRO C[C@@]12C[C@H]3[C@H](Cc4ccccc4)[NH2+][C@@H]1CCC[C@@H]2N3C(=O)c1nccc2ccccc21 ZINC000257340868 559283453 /nfs/dbraw/zinc/28/34/53/559283453.db2.gz ZHVGDVPRBOHYLK-RTCYWULBSA-N 1 0 411.549 4.591 40 0 HJABRO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)c1nccc2ccccc21)[C@@H]3Cc1ccccc1 ZINC000257269749 559285034 /nfs/dbraw/zinc/28/50/34/559285034.db2.gz MRFIJBPNTAASRQ-RXQYSTNPSA-N 1 0 411.549 4.591 40 0 HJABRO O=C(c1ccccc1C[NH+]1CCCC1)N1CCC[C@H](Cc2cccc3cccnc32)C1 ZINC000257281252 559285279 /nfs/dbraw/zinc/28/52/79/559285279.db2.gz OOHZBGBYKKOHPS-OAQYLSRUSA-N 1 0 413.565 4.926 40 0 HJABRO CC[NH+](CC)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccccc2)cs1 ZINC000004188890 560602690 /nfs/dbraw/zinc/60/26/90/560602690.db2.gz CCLTVOAAGZNYHL-UHFFFAOYSA-N 1 0 423.582 4.954 40 0 HJABRO Clc1ccc(-c2nsc3c2ncnc3N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000004895013 560615662 /nfs/dbraw/zinc/61/56/62/560615662.db2.gz TYHUYSWEQCQJFJ-UHFFFAOYSA-N 1 0 413.978 4.861 40 0 HJABRO C[NH+](C)CCCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccncc1 ZINC000006878663 560634511 /nfs/dbraw/zinc/63/45/11/560634511.db2.gz ABQYAUSHTSZKRQ-UHFFFAOYSA-N 1 0 422.385 4.891 40 0 HJABRO COC(=O)c1cc(C(=O)OC)cc(-c2ccc(C[NH2+]C(C)(C)CC(C)(C)C)o2)c1 ZINC000006857399 560747523 /nfs/dbraw/zinc/74/75/23/560747523.db2.gz OJMPYGMLCWUKFB-UHFFFAOYSA-N 1 0 401.503 4.824 40 0 HJABRO CC1CC[NH+](CC(C)(C)CN(Cc2ccncc2)Cc2ccc3c(c2)OCO3)CC1 ZINC000013989791 560831492 /nfs/dbraw/zinc/83/14/92/560831492.db2.gz IUDOXABSRWPNEK-UHFFFAOYSA-N 1 0 409.574 4.571 40 0 HJABRO COc1cc(CN(Cc2ccc(C)o2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc(OC)c1O ZINC000013992744 560831606 /nfs/dbraw/zinc/83/16/06/560831606.db2.gz PEEXMIWUNFXIGA-UHFFFAOYSA-N 1 0 416.562 4.622 40 0 HJABRO CCOc1cc(C[NH2+][C@H]2CN3CCC2CC3)cc(Cl)c1OCc1ccccc1 ZINC000020477124 560884544 /nfs/dbraw/zinc/88/45/44/560884544.db2.gz WLWKIDRVXZRMHZ-NRFANRHFSA-N 1 0 400.950 4.502 40 0 HJABRO CC1CC[NH+](CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)CC1 ZINC000216412850 568465217 /nfs/dbraw/zinc/46/52/17/568465217.db2.gz IKCJLYKHJSKQOO-UHFFFAOYSA-N 1 0 412.599 4.710 40 0 HJABRO CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000222942774 568531874 /nfs/dbraw/zinc/53/18/74/568531874.db2.gz ZTAQMABPWFAIRZ-HSZRJFAPSA-N 1 0 409.574 4.532 40 0 HJABRO CC(C)c1ccccc1OCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000223793540 568559349 /nfs/dbraw/zinc/55/93/49/568559349.db2.gz KRQDQFVQXWSNIR-UHFFFAOYSA-N 1 0 414.977 4.871 40 0 HJABRO Cc1ccc(OCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1Cl ZINC000224181029 568572871 /nfs/dbraw/zinc/57/28/71/568572871.db2.gz GNMKGWOGKPEPTB-GOSISDBHSA-N 1 0 421.368 4.709 40 0 HJABRO CC(C)(C)c1ccc(OCCNC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000224551852 568584817 /nfs/dbraw/zinc/58/48/17/568584817.db2.gz IMHSNSARJIDWEW-UHFFFAOYSA-N 1 0 412.549 4.530 40 0 HJABRO Cc1cc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc(C)c1Cl ZINC000224614371 568588269 /nfs/dbraw/zinc/58/82/69/568588269.db2.gz OTBMADSHEQNFRE-SFHVURJKSA-N 1 0 400.950 4.636 40 0 HJABRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1OCc1ccccc1 ZINC000224618429 568588319 /nfs/dbraw/zinc/58/83/19/568588319.db2.gz KFMAGNQHBZKFFX-UHFFFAOYSA-N 1 0 400.522 4.791 40 0 HJABRO O=C(COc1ccc(Cl)cc1Cl)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224642414 568590229 /nfs/dbraw/zinc/59/02/29/568590229.db2.gz NFNPXAVEFLRCAK-UHFFFAOYSA-N 1 0 407.341 4.675 40 0 HJABRO CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1cccc(C[NH+]2CCCCC2)c1 ZINC000224686076 568592192 /nfs/dbraw/zinc/59/21/92/568592192.db2.gz GLHGPASJIJZQGU-QFIPXVFZSA-N 1 0 400.950 4.800 40 0 HJABRO Cc1cc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1Cl ZINC000224696819 568592621 /nfs/dbraw/zinc/59/26/21/568592621.db2.gz SYCLUJWEDYBRHQ-GOSISDBHSA-N 1 0 400.950 4.718 40 0 HJABRO CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000224836928 568599316 /nfs/dbraw/zinc/59/93/16/568599316.db2.gz FPKUJEPGQBJETA-NRFANRHFSA-N 1 0 400.950 4.800 40 0 HJABRO C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000225561335 568651294 /nfs/dbraw/zinc/65/12/94/568651294.db2.gz GJOYWUXCZSGXSI-NRFANRHFSA-N 1 0 422.569 4.627 40 0 HJABRO CCCO[C@](C)(C(=O)Nc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000225672322 568662730 /nfs/dbraw/zinc/66/27/30/568662730.db2.gz BWGUMYLBEUQVIQ-IECBHUPTSA-N 1 0 402.579 4.577 40 0 HJABRO CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225699256 568665780 /nfs/dbraw/zinc/66/57/80/568665780.db2.gz YEAUGMHZALWYHX-JXALWOEJSA-N 1 0 404.595 4.967 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCCC[NH+]3CCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225715955 568667216 /nfs/dbraw/zinc/66/72/16/568667216.db2.gz ICUBCHOLMGFYGK-HYBUGGRVSA-N 1 0 402.579 4.865 40 0 HJABRO CCOC1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 ZINC000225720376 568667684 /nfs/dbraw/zinc/66/76/84/568667684.db2.gz MRTGBXOUENEFRR-LXLIEBNMSA-N 1 0 416.606 4.967 40 0 HJABRO Cc1c2ccccc2oc1-c1nnc2sc(CC[N@@H+](C)Cc3ccccc3)nn21 ZINC000096194449 568703940 /nfs/dbraw/zinc/70/39/40/568703940.db2.gz ACZPIRBGKWZZHR-UHFFFAOYSA-N 1 0 403.511 4.582 40 0 HJABRO Cc1c2ccccc2oc1-c1nnc2sc(C[N@@H+]3CC[C@H](c4ccccc4)C3)nn21 ZINC000096194457 568704239 /nfs/dbraw/zinc/70/42/39/568704239.db2.gz UIRGZUZRRXSKBW-KRWDZBQOSA-N 1 0 415.522 4.897 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCC[C@H](C)C1 ZINC000260814769 568740209 /nfs/dbraw/zinc/74/02/09/568740209.db2.gz NIUCCHZYCQURBK-PWSZPPJVSA-N 1 0 402.579 4.577 40 0 HJABRO CN(C(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1)C1CCCCC1 ZINC000257227121 568784212 /nfs/dbraw/zinc/78/42/12/568784212.db2.gz FNUHHFPIJJFIAV-LJQANCHMSA-N 1 0 420.557 4.940 40 0 HJABRO Cc1ccc(C[NH+]2CCC(Cc3ccc(-c4cccnc4)cc3)(C(N)=O)CC2)cc1C ZINC000257233580 568785706 /nfs/dbraw/zinc/78/57/06/568785706.db2.gz GPUHVNZLCWBVOF-UHFFFAOYSA-N 1 0 413.565 4.676 40 0 HJABRO COc1cccc(C[N@@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCCC4)on3)C2)c1 ZINC000257255606 568791965 /nfs/dbraw/zinc/79/19/65/568791965.db2.gz KIDYRXDOTZEQGB-LJQANCHMSA-N 1 0 411.546 4.515 40 0 HJABRO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)s1 ZINC000257268706 568795123 /nfs/dbraw/zinc/79/51/23/568795123.db2.gz MMVPDYKUSITGMA-GOSISDBHSA-N 1 0 422.554 4.684 40 0 HJABRO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](Cc2ccnc3ccccc23)C1 ZINC000257277612 568797653 /nfs/dbraw/zinc/79/76/53/568797653.db2.gz NYSOWCJRIJGYNO-QGZVFWFLSA-N 1 0 401.535 4.799 40 0 HJABRO O=C(/C=C/c1ccccc1)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C12CCCCC2 ZINC000257302615 568804952 /nfs/dbraw/zinc/80/49/52/568804952.db2.gz SDOKZHSLGWDMED-AWRZONTFSA-N 1 0 400.566 4.993 40 0 HJABRO Cc1nc(Nc2cc(C)nc([C@@H]3CCC[N@@H+](Cc4cnn(C)c4C)C3)c2)sc1C ZINC000257303615 568805469 /nfs/dbraw/zinc/80/54/69/568805469.db2.gz SHYFAIWMPJRYPW-GOSISDBHSA-N 1 0 410.591 4.628 40 0 HJABRO O=C(c1ccsc1)N1C[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)c2ncccc21 ZINC000306133815 568895941 /nfs/dbraw/zinc/89/59/41/568895941.db2.gz MWZUCQGTFQYNSJ-QFIPXVFZSA-N 1 0 409.942 4.601 40 0 HJABRO O=C(Nc1ccccc1)c1cnn2c1nccc2[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000306136284 568898197 /nfs/dbraw/zinc/89/81/97/568898197.db2.gz POQMKVGAWOKTSH-HXUWFJFHSA-N 1 0 417.557 4.741 40 0 HJABRO CCCCC[NH+](CCCCC)C[C@@H](C)NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 ZINC000006264152 568936487 /nfs/dbraw/zinc/93/64/87/568936487.db2.gz ITJXMCCGGULMMX-GOSISDBHSA-N 1 0 423.001 4.979 40 0 HJABRO CC(C)c1nc(N2CCc3cc([C@H](C)O)ccc3C2)cc(NCc2ccccc2)[nH+]1 ZINC000329015933 568972851 /nfs/dbraw/zinc/97/28/51/568972851.db2.gz NEBWKVGRMFEKQV-SFHVURJKSA-N 1 0 402.542 4.828 40 0 HJABRO CC(C)Oc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009062740 569342251 /nfs/dbraw/zinc/34/22/51/569342251.db2.gz URYBLEJRERKQNI-UHFFFAOYSA-N 1 0 412.549 4.574 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSCc3cccc(Cl)c3)CC2)cc1 ZINC000009063113 569342382 /nfs/dbraw/zinc/34/23/82/569342382.db2.gz DMGZCISCNGOYQT-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO Cc1ccccc1CSCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009063217 569342388 /nfs/dbraw/zinc/34/23/88/569342388.db2.gz ZPKNVPXJPQCQQM-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO CCCCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009063642 569342430 /nfs/dbraw/zinc/34/24/30/569342430.db2.gz BGWNXQBTJQKHLM-UHFFFAOYSA-N 1 0 412.505 4.633 40 0 HJABRO Fc1ccccc1OCc1cc([C@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)n[nH]1 ZINC000019704714 569347749 /nfs/dbraw/zinc/34/77/49/569347749.db2.gz FTGGZQVAFOFRAQ-SFHVURJKSA-N 1 0 402.473 4.666 40 0 HJABRO CC[NH+](CC)[C@@H]1C[C@H](C(C)C)O[C@H](c2ccc(NC(=O)c3cnn(C)c3C)cc2)C1 ZINC000019711794 569348160 /nfs/dbraw/zinc/34/81/60/569348160.db2.gz RYEAKXRFWGCCTL-MZYLBHOOSA-N 1 0 412.578 4.567 40 0 HJABRO COc1ccc2c(c1)[C@H](NC(=O)c1ccc(C[N@@H+]3CCC[C@H](C)C3)cc1)CC(C)(C)O2 ZINC000044855570 569351978 /nfs/dbraw/zinc/35/19/78/569351978.db2.gz RLBRFBLRJFYDAH-FDDCHVKYSA-N 1 0 422.569 4.959 40 0 HJABRO Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000044855364 569352021 /nfs/dbraw/zinc/35/20/21/569352021.db2.gz DXYWFGYPDCIKGT-SIKLNZKXSA-N 1 0 410.533 4.765 40 0 HJABRO CC(=O)N1c2ccccc2C([C@H](O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c2ccccc21 ZINC000004416115 132277089 /nfs/dbraw/zinc/27/70/89/132277089.db2.gz HWZXWPXTTVBZTK-RZTXVSJASA-N 1 0 404.554 4.832 40 0 HJABRO CCOc1ccc(CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)cc1 ZINC000044851378 520946767 /nfs/dbraw/zinc/94/67/67/520946767.db2.gz CWKGPUWWWGWFCJ-OAQYLSRUSA-N 1 0 414.977 4.700 40 0 HJABRO COc1cc(CNC(=O)c2ccc(C[NH+]3CCCCCC3)cc2)ccc1OC(C)C ZINC000044905316 522433498 /nfs/dbraw/zinc/43/34/98/522433498.db2.gz UTFOURQSGHNGJJ-UHFFFAOYSA-N 1 0 410.558 4.788 40 0 HJABRO COc1ccc([C@H](CC(C)C)NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000044937302 525345521 /nfs/dbraw/zinc/34/55/21/525345521.db2.gz QGCRJNXPOJDESY-DEOSSOPVSA-N 1 0 412.549 4.950 40 0 HJABRO COc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccc(C)cc3)CC1)CC(C)(C)O2 ZINC000044855521 525585263 /nfs/dbraw/zinc/58/52/63/525585263.db2.gz RGTCKNQKUFYXNX-HSZRJFAPSA-N 1 0 422.569 4.634 40 0 HJABRO Cc1ccc2c(c1)[C@H](NC(=O)C1CC[NH+](Cc3ccccc3F)CC1)CC(C)(C)O2 ZINC000044855243 526199344 /nfs/dbraw/zinc/19/93/44/526199344.db2.gz UYMFFEVLVWKHOG-JOCHJYFZSA-N 1 0 410.533 4.765 40 0 HJABRO Cc1nnc(Nc2cccc(C3CC[NH+](Cc4cn(C)c5ccccc45)CC3)n2)s1 ZINC000072376180 526375561 /nfs/dbraw/zinc/37/55/61/526375561.db2.gz WRNCPKMMNKTYCF-UHFFFAOYSA-N 1 0 418.570 4.856 40 0 HJABRO CC1(C)O[C@](C)(C[NH+]2CCCC2)CC[C@H]1NC(=O)C(c1ccccc1)c1ccccc1 ZINC000005432554 557653298 /nfs/dbraw/zinc/65/32/98/557653298.db2.gz PJBOSXAOCVTWGX-KCWPFWIISA-N 1 0 420.597 4.747 40 0 HJABRO Cc1nc([C@H]2CCC[N@@H+](C3CCCCC3)C2)nc2c1CC(=O)N2Cc1ccc(F)cc1 ZINC000019744493 558265003 /nfs/dbraw/zinc/26/50/03/558265003.db2.gz IRXQMWMPJNVIKW-IBGZPJMESA-N 1 0 422.548 4.526 40 0 HJABRO COc1cc(/C=C/C2=CC[N@H+](C)CC2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000012143031 558335279 /nfs/dbraw/zinc/33/52/79/558335279.db2.gz AFNHDJKVHVAVHV-VOTSOKGWSA-N 1 0 412.917 4.641 40 0 HJABRO O[C@H](C[NH+]1CCC2(CC1)C[C@H](O)c1ccccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000012329412 558384296 /nfs/dbraw/zinc/38/42/96/558384296.db2.gz XSZJQOXYYOOJBR-LOSJGSFVSA-N 1 0 415.533 4.738 40 0 HJABRO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccc(OC(C)C)c(OC)c2)cc1 ZINC000012345291 558386438 /nfs/dbraw/zinc/38/64/38/558386438.db2.gz GOZPOKXFWDLVIB-KEVCNVLYSA-N 1 0 411.542 4.506 40 0 HJABRO COc1cc(C[NH2+]C[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000022075774 558462683 /nfs/dbraw/zinc/46/26/83/558462683.db2.gz YYNVTURTKYILPY-NRFANRHFSA-N 1 0 415.892 4.890 40 0 HJABRO O=C(NCCCc1ccc(Cl)cc1)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000039767150 558686178 /nfs/dbraw/zinc/68/61/78/558686178.db2.gz TYXHJMVNOSNFFK-UHFFFAOYSA-N 1 0 405.369 4.954 40 0 HJABRO O=C(NCCCc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000039752640 558687082 /nfs/dbraw/zinc/68/70/82/558687082.db2.gz QDETUSOLWDIIOA-UHFFFAOYSA-N 1 0 405.369 4.954 40 0 HJABRO CCCCNC(=O)c1ccccc1NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000030939741 558745307 /nfs/dbraw/zinc/74/53/07/558745307.db2.gz NPLMOHOZYWLREW-UHFFFAOYSA-N 1 0 407.558 4.845 40 0 HJABRO Clc1ccc(COc2ccc(Br)cc2C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000016401773 558790199 /nfs/dbraw/zinc/79/01/99/558790199.db2.gz CAPYPTYHWAKBQX-SFHVURJKSA-N 1 0 410.739 4.950 40 0 HJABRO CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3cccc(F)c3)CC[C@H]21 ZINC000019081632 558839846 /nfs/dbraw/zinc/83/98/46/558839846.db2.gz XRRQNQSLKRJXTB-NJDAHSKKSA-N 1 0 400.563 4.750 40 0 HJABRO Cc1ccc(-c2ccccc2CC2(C(=O)NC3CC[NH+](C)CC3)CCOCC2)c(C)c1 ZINC000019132871 558845595 /nfs/dbraw/zinc/84/55/95/558845595.db2.gz CKZSKTABDOJKAX-UHFFFAOYSA-N 1 0 420.597 4.520 40 0 HJABRO COc1c(C)cccc1C[NH+]1CCC([C@H](NC(=O)CC(C)C)c2ccccn2)CC1 ZINC000019235927 558854930 /nfs/dbraw/zinc/85/49/30/558854930.db2.gz SBSYOISJZAMVLC-DEOSSOPVSA-N 1 0 409.574 4.514 40 0 HJABRO Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019236839 558856093 /nfs/dbraw/zinc/85/60/93/558856093.db2.gz VCDXCLFDGWAWMW-BWKNWUBXSA-N 1 0 417.528 4.912 40 0 HJABRO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000019370354 558878612 /nfs/dbraw/zinc/87/86/12/558878612.db2.gz HVAAQCQXBXDJRA-JCYRPKCISA-N 1 0 403.570 4.550 40 0 HJABRO O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2C[N@H+](Cc3ccncc3)CC[C@H]21 ZINC000019405273 558884716 /nfs/dbraw/zinc/88/47/16/558884716.db2.gz BJATZIBLCOLEAD-DNVJHFABSA-N 1 0 409.599 4.540 40 0 HJABRO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CC[N@H+](Cc2ccccn2)C1 ZINC000019449576 558888024 /nfs/dbraw/zinc/88/80/24/558888024.db2.gz SWKAUBCPIPOALM-MHZLTWQESA-N 1 0 413.565 4.708 40 0 HJABRO CC(C)c1nc([C@H](Cc2c[nH]c3ccccc23)[NH2+]Cc2cccc(F)c2)cc(=O)[nH]1 ZINC000019453488 558890825 /nfs/dbraw/zinc/89/08/25/558890825.db2.gz QNSQSCASLGURND-NRFANRHFSA-N 1 0 404.489 4.587 40 0 HJABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](C[C@@H](C)c2ccccc2)C1 ZINC000019456049 558891880 /nfs/dbraw/zinc/89/18/80/558891880.db2.gz FXAKAGBHVQPKDR-ZBLYBZFDSA-N 1 0 413.565 4.533 40 0 HJABRO CCCNC(=O)c1cc([C@@H]2CCC[N@H+](CC(c3ccccc3)c3ccccc3)C2)no1 ZINC000019503654 558900897 /nfs/dbraw/zinc/90/08/97/558900897.db2.gz SJWYBEKPOTVQCV-JOCHJYFZSA-N 1 0 417.553 4.826 40 0 HJABRO CCOC(=O)C1(Cc2cc(-c3ccccc3)no2)CC[NH+](Cc2cccs2)CC1 ZINC000019530203 558911529 /nfs/dbraw/zinc/91/15/29/558911529.db2.gz KVILMLIMPBHEKB-UHFFFAOYSA-N 1 0 410.539 4.791 40 0 HJABRO COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)c1 ZINC000019565420 558925490 /nfs/dbraw/zinc/92/54/90/558925490.db2.gz DDAYYHGUZZGCHO-HJOGWXRNSA-N 1 0 424.610 4.763 40 0 HJABRO COc1ccccc1C[NH+]1CCC(c2noc3nc(C)cc(C(F)(F)F)c32)CC1 ZINC000019569127 558928301 /nfs/dbraw/zinc/92/83/01/558928301.db2.gz QBTXVYFBVYPPME-UHFFFAOYSA-N 1 0 405.420 4.938 40 0 HJABRO COc1ccccc1C[NH+]1CCC([C@H](NC(=O)c2cccs2)c2ccccn2)CC1 ZINC000019570117 558928869 /nfs/dbraw/zinc/92/88/69/558928869.db2.gz OZDLDOSNHMVPSK-QHCPKHFHSA-N 1 0 421.566 4.535 40 0 HJABRO CC[NH+]1CCN(c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)c(Cl)cc2N)CC1 ZINC000072229161 558931890 /nfs/dbraw/zinc/93/18/90/558931890.db2.gz ZWAFSMQMFQJLKV-UHFFFAOYSA-N 1 0 414.981 4.614 40 0 HJABRO COc1ccc(C[NH+]2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(C)c1C ZINC000019577307 558933128 /nfs/dbraw/zinc/93/31/28/558933128.db2.gz DVERTLDTQPTTPZ-DEOSSOPVSA-N 1 0 423.601 4.823 40 0 HJABRO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)c1cccs1 ZINC000072330403 558934501 /nfs/dbraw/zinc/93/45/01/558934501.db2.gz MIDQHRPLLIVPRJ-AVRDEDQJSA-N 1 0 409.530 4.666 40 0 HJABRO O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072330441 558934871 /nfs/dbraw/zinc/93/48/71/558934871.db2.gz SWDNPTPLKQAUPZ-BWKNWUBXSA-N 1 0 409.549 4.871 40 0 HJABRO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1)C1CCCC1 ZINC000072341417 558939743 /nfs/dbraw/zinc/93/97/43/558939743.db2.gz BJZPMXNUCFTXNP-QUCCMNQESA-N 1 0 401.551 4.542 40 0 HJABRO Cc1cc(-c2cncnc2)cc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000072353746 558950881 /nfs/dbraw/zinc/95/08/81/558950881.db2.gz ZBSXBZPEWDOMKB-HXUWFJFHSA-N 1 0 414.553 4.940 40 0 HJABRO CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ncc[nH]1 ZINC000072370651 558956990 /nfs/dbraw/zinc/95/69/90/558956990.db2.gz LHVIXRSUENPPMS-KRWDZBQOSA-N 1 0 410.587 4.750 40 0 HJABRO COc1cccc(OCCc2cc([C@H]3CC[N@H+](C/C(C)=C/c4ccccc4)C3)[nH]n2)c1 ZINC000072371559 558958449 /nfs/dbraw/zinc/95/84/49/558958449.db2.gz BHNMVWAVTHFTAL-QDUHJBTASA-N 1 0 417.553 4.933 40 0 HJABRO CNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CC[N@H+](C[C@H](C)c2ccccc2)C1 ZINC000072388974 558969437 /nfs/dbraw/zinc/96/94/37/558969437.db2.gz FXAKAGBHVQPKDR-IDISGSTGSA-N 1 0 413.565 4.533 40 0 HJABRO COc1ccc2c(c1)c(C[N@@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)cn2C(C)C ZINC000072392571 558972278 /nfs/dbraw/zinc/97/22/78/558972278.db2.gz BHNYQRDOEZLXMC-CNPGNWEMSA-N 1 0 419.569 4.664 40 0 HJABRO COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C2)cc1C ZINC000072398605 558975954 /nfs/dbraw/zinc/97/59/54/558975954.db2.gz WWQFYTGAMRRHEE-YKSBVNFPSA-N 1 0 423.601 4.823 40 0 HJABRO Fc1ccc(-c2cccc([C@@H]3CC[NH2+]C[C@H]3COc3ccc4c(c3)OCO4)c2)cc1 ZINC000067665299 558990962 /nfs/dbraw/zinc/99/09/62/558990962.db2.gz MFUAMYHEVCIZFT-REWPJTCUSA-N 1 0 405.469 4.994 40 0 in-vitro HJABRO O=C(C[C@@H]1CC2(CC[NH+](Cc3cccs3)CC2)Oc2ccccc21)NCC1CC1 ZINC000096053085 559092878 /nfs/dbraw/zinc/09/28/78/559092878.db2.gz HSTPBLMEFNOWRZ-LJQANCHMSA-N 1 0 410.583 4.565 40 0 HJABRO Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](CC(=O)NC(C)C)c2ccccc2O3)s1 ZINC000096053320 559093193 /nfs/dbraw/zinc/09/31/93/559093193.db2.gz VCAXXYWGMVWZKC-LJQANCHMSA-N 1 0 412.599 4.872 40 0 HJABRO C[C@@]1(O)CC[N@H+](CC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289667 560032105 /nfs/dbraw/zinc/03/21/05/560032105.db2.gz AUPYOJWKCSUGPI-QNWVGRARSA-N 1 0 404.620 4.501 40 0 biogenic,in-vitro HJABRO CCC[NH+]1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn32)CC1 ZINC000004980544 560622935 /nfs/dbraw/zinc/62/29/35/560622935.db2.gz ABSPPVVUSIUFAB-UHFFFAOYSA-N 1 0 415.516 4.734 40 0 HJABRO CCOc1ccc(C(=O)NC(=S)Nc2ccc(C[NH+](CC)CC)cc2)cc1Cl ZINC000006629879 560744594 /nfs/dbraw/zinc/74/45/94/560744594.db2.gz AHMFQIAYYLZDRO-UHFFFAOYSA-N 1 0 419.978 4.707 40 0 HJABRO COc1cc2cc(CNc3ccc([N@H+]4C[C@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2cc1OC ZINC000013563116 560816138 /nfs/dbraw/zinc/81/61/38/560816138.db2.gz DZJRJALLTABBSH-CALCHBBNSA-N 1 0 421.541 4.640 40 0 HJABRO CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000219242499 568488488 /nfs/dbraw/zinc/48/84/88/568488488.db2.gz XLOFEZDWNZROTN-QGZVFWFLSA-N 1 0 424.570 4.692 40 0 HJABRO COC(=O)c1cn(C(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)c2ccccc12 ZINC000222571180 568518789 /nfs/dbraw/zinc/51/87/89/568518789.db2.gz CPNLXXVNHJHMMK-UHFFFAOYSA-N 1 0 424.500 4.675 40 0 HJABRO O=C(NCCOc1ccccc1Cl)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000223414816 568548163 /nfs/dbraw/zinc/54/81/63/568548163.db2.gz WKBZXEYZYWJKQK-UHFFFAOYSA-N 1 0 420.940 4.707 40 0 HJABRO Cc1cc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)ccc1Cl ZINC000224696773 568592662 /nfs/dbraw/zinc/59/26/62/568592662.db2.gz SYCLUJWEDYBRHQ-SFHVURJKSA-N 1 0 400.950 4.718 40 0 HJABRO O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000224982029 568607348 /nfs/dbraw/zinc/60/73/48/568607348.db2.gz MGNLBOSXXRWPMB-UHFFFAOYSA-N 1 0 410.568 4.679 40 0 HJABRO COc1ccc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCC4)cc3)CCCC2)cc1 ZINC000225531343 568647991 /nfs/dbraw/zinc/64/79/91/568647991.db2.gz LTZWBEPJKFXDEL-UHFFFAOYSA-N 1 0 408.542 4.620 40 0 HJABRO COC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCCCCC1 ZINC000225630824 568658502 /nfs/dbraw/zinc/65/85/02/568658502.db2.gz LAIWDOQICIXCTR-PMACEKPBSA-N 1 0 402.579 4.721 40 0 HJABRO CCCOC1(C(=O)Nc2ccc(OCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CCCC1 ZINC000225654887 568660425 /nfs/dbraw/zinc/66/04/25/568660425.db2.gz HRAXQZMRMFMLKH-PMACEKPBSA-N 1 0 402.579 4.721 40 0 HJABRO CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225689468 568664626 /nfs/dbraw/zinc/66/46/26/568664626.db2.gz QZYRBDFGIZBLAJ-HYBUGGRVSA-N 1 0 404.595 4.967 40 0 HJABRO CCO[C@@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@H](C)C1 ZINC000225715492 568666915 /nfs/dbraw/zinc/66/69/15/568666915.db2.gz UXCNADATRPJALY-RDPSFJRHSA-N 1 0 402.579 4.865 40 0 HJABRO CCO[C@]1(C(=O)Nc2ccc(OCC[NH+]3CCCCCC3)cc2)CCC[C@@H](C)C1 ZINC000225715463 568667106 /nfs/dbraw/zinc/66/71/06/568667106.db2.gz UXCNADATRPJALY-HYBUGGRVSA-N 1 0 402.579 4.865 40 0 HJABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000225734623 568669031 /nfs/dbraw/zinc/66/90/31/568669031.db2.gz SQVMYWLVQCQDPP-HYBUGGRVSA-N 1 0 404.595 4.967 40 0 HJABRO CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000225738784 568669941 /nfs/dbraw/zinc/66/99/41/568669941.db2.gz HOFCTQOZOSTGMY-JXALWOEJSA-N 1 0 404.595 4.967 40 0 HJABRO Cc1ccc(NC(=S)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1Cl ZINC000225772444 568673336 /nfs/dbraw/zinc/67/33/36/568673336.db2.gz UQBFECFOBWGOEB-UHFFFAOYSA-N 1 0 403.979 4.608 40 0 HJABRO CO[C@]1(C(=O)Nc2ccc(OCCC[N@@H+]3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 ZINC000260818189 568740604 /nfs/dbraw/zinc/74/06/04/568740604.db2.gz WYOVNAMKXAJKJT-DCLXLUIPSA-N 1 0 402.579 4.864 40 0 HJABRO CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000260816965 568740637 /nfs/dbraw/zinc/74/06/37/568740637.db2.gz SQVMYWLVQCQDPP-GBXCKJPGSA-N 1 0 404.595 4.967 40 0 HJABRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@@]2(C1)COCc1cnc(NCc3ccccc3)nc12 ZINC000247867228 568745874 /nfs/dbraw/zinc/74/58/74/568745874.db2.gz JLXOAABJPNYWPB-AMZDPNTKSA-N 1 0 418.585 4.555 40 0 HJABRO CN(C(=O)C[N@@H+]1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1)C1CCCCC1 ZINC000257218993 568781658 /nfs/dbraw/zinc/78/16/58/568781658.db2.gz DFEOHUWDHRGJKZ-QFIPXVFZSA-N 1 0 423.576 4.782 40 0 HJABRO CCOc1cccc(C[N@@H+]2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1 ZINC000257222081 568782447 /nfs/dbraw/zinc/78/24/47/568782447.db2.gz DRUWDVFPQUTCFQ-IBGZPJMESA-N 1 0 411.546 4.515 40 0 HJABRO Cc1cc2ccccc2n1CC(=O)N1[C@@H](Cc2ccccc2)C[C@H]2[NH2+]CCCCC[C@@H]21 ZINC000257317880 568809560 /nfs/dbraw/zinc/80/95/60/568809560.db2.gz VLOIDZBDDZSBBF-GSLIJJQTSA-N 1 0 415.581 4.694 40 0 HJABRO O=C(NCCSCc1ccccc1F)C1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000009062631 569342174 /nfs/dbraw/zinc/34/21/74/569342174.db2.gz XKRVKEBFIGUJLW-UHFFFAOYSA-N 1 0 420.981 4.741 40 0 HJABRO Cc1ccc(C[NH+]2CCC(C(=O)NCCSCc3ccccc3Cl)CC2)cc1 ZINC000009063112 569342324 /nfs/dbraw/zinc/34/23/24/569342324.db2.gz SGJQCCZUOWCKCL-UHFFFAOYSA-N 1 0 417.018 4.910 40 0 HJABRO Cc1cccc2c(C(=O)NC(C)(C)C[NH+]3CCCCC3)cc(-c3cccnc3)nc12 ZINC000141550356 569354776 /nfs/dbraw/zinc/35/47/76/569354776.db2.gz HNNUIPXFKIDORB-UHFFFAOYSA-N 1 0 402.542 4.600 40 0 HJABRO O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000141576797 569354858 /nfs/dbraw/zinc/35/48/58/569354858.db2.gz ZTKBEAKESCDUJZ-UHFFFAOYSA-N 1 0 408.468 4.500 40 0 HJABRO