smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cc(F)cc(Cl)c3O)C1)CCCC2 ZINC000408416762 844195326 /nfs/dbraw/zinc/19/53/26/844195326.db2.gz VTAZYAPHYXXRLA-ZDUSSCGKSA-N 1 2 377.847 3.656 10 0 GHAELO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330238 861292852 /nfs/dbraw/zinc/29/28/52/861292852.db2.gz LPAYOEUXIXVPSJ-CRAIPNDOSA-N 1 2 386.471 3.707 10 0 GHAELO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330238 861292870 /nfs/dbraw/zinc/29/28/70/861292870.db2.gz LPAYOEUXIXVPSJ-CRAIPNDOSA-N 1 2 386.471 3.707 10 0 GHAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)[nH]1 ZINC000162618994 843277472 /nfs/dbraw/zinc/27/74/72/843277472.db2.gz ZFOHCYWBSJCRAK-VFNWGFHPSA-N 1 2 375.476 3.680 10 0 GHAELO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000157580211 854273639 /nfs/dbraw/zinc/27/36/39/854273639.db2.gz DHPXYWGBGHGUJS-IBGZPJMESA-N 1 2 392.503 3.750 10 0 GHAELO Cc1cc([C@@H]2CCCN(c3cc[nH+]c(N[C@H]4CCCO[C@H]4C(C)C)n3)C2)[nH]n1 ZINC000328786071 854555893 /nfs/dbraw/zinc/55/58/93/854555893.db2.gz JACWGZKUGFRMLY-UWVAXJGDSA-N 1 2 384.528 3.508 10 0 GHAELO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2)c1 ZINC000328935034 854607995 /nfs/dbraw/zinc/60/79/95/854607995.db2.gz FLTPAZPJKWIBOM-LEWJYISDSA-N 1 2 381.476 3.724 10 0 GHAELO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)cc2)c1 ZINC000328935034 854608004 /nfs/dbraw/zinc/60/80/04/854608004.db2.gz FLTPAZPJKWIBOM-LEWJYISDSA-N 1 2 381.476 3.724 10 0 GHAELO Cc1nnc([C@@H](C)[N@@H+]2CCCN(c3ccc(-c4ccccc4)nn3)CC2)s1 ZINC000367267449 869257620 /nfs/dbraw/zinc/25/76/20/869257620.db2.gz PUILYEPXNYQCGS-OAHLLOKOSA-N 1 2 380.521 3.577 10 0 GHAELO Cc1nnc([C@@H](C)[N@H+]2CCCN(c3ccc(-c4ccccc4)nn3)CC2)s1 ZINC000367267449 869257633 /nfs/dbraw/zinc/25/76/33/869257633.db2.gz PUILYEPXNYQCGS-OAHLLOKOSA-N 1 2 380.521 3.577 10 0 GHAELO COc1cc(OC)cc([C@H]2CC[N@H+](Cc3nc([C@@H](C)OCC(C)C)no3)C2)c1 ZINC000177415994 882795873 /nfs/dbraw/zinc/79/58/73/882795873.db2.gz FRQPFMHMANOINA-CVEARBPZSA-N 1 2 389.496 3.810 10 0 GHAELO COc1cc(OC)cc([C@H]2CC[N@@H+](Cc3nc([C@@H](C)OCC(C)C)no3)C2)c1 ZINC000177415994 882795881 /nfs/dbraw/zinc/79/58/81/882795881.db2.gz FRQPFMHMANOINA-CVEARBPZSA-N 1 2 389.496 3.810 10 0 GHAELO CC(C)[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1nc2ccccc2[nH]1 ZINC000184250180 883340695 /nfs/dbraw/zinc/34/06/95/883340695.db2.gz IVJJJVAUBVQWBE-HXUWFJFHSA-N 1 2 392.507 3.577 10 0 GHAELO C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186651799 883683075 /nfs/dbraw/zinc/68/30/75/883683075.db2.gz OOJPAINTLNKCRW-CQSZACIVSA-N 1 2 399.520 3.636 10 0 GHAELO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H](c4nccs4)C3)cn2c1 ZINC000114630783 886318234 /nfs/dbraw/zinc/31/82/34/886318234.db2.gz JOQXPJKCXHGGQY-HNNXBMFYSA-N 1 2 386.546 3.739 10 0 GHAELO Cc1ccsc1C(=O)N1CC[C@@]2(C1)[NH2+]Cc1ccccc1NC2=NC(C)(C)C ZINC000065265956 570768925 /nfs/dbraw/zinc/76/89/25/570768925.db2.gz SRTFFEUJUVFLAL-QFIPXVFZSA-N 1 2 396.560 3.863 10 0 GHAELO C[C@H]1CCCN(c2cc(NCc3ccc(C(=O)N4CCCCC4)cc3)[nH+]cn2)C1 ZINC000301237813 841159894 /nfs/dbraw/zinc/15/98/94/841159894.db2.gz KYNRMZJOVDDHQK-SFHVURJKSA-N 1 2 393.535 3.951 10 0 GHAELO C[C@H]1CCCN(c2cc(NCc3ccc(C(=O)N4CCCCC4)cc3)nc[nH+]2)C1 ZINC000301237813 841159900 /nfs/dbraw/zinc/15/99/00/841159900.db2.gz KYNRMZJOVDDHQK-SFHVURJKSA-N 1 2 393.535 3.951 10 0 GHAELO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173888388 860444045 /nfs/dbraw/zinc/44/40/45/860444045.db2.gz VEACQJVYUBEZEP-INIZCTEOSA-N 1 2 393.915 3.600 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245643021 867745258 /nfs/dbraw/zinc/74/52/58/867745258.db2.gz BNJBVAWSMZRBBJ-AYOQOUSVSA-N 1 2 393.478 3.501 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCOC3(CCCC3)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000245643021 867745260 /nfs/dbraw/zinc/74/52/60/867745260.db2.gz BNJBVAWSMZRBBJ-AYOQOUSVSA-N 1 2 393.478 3.501 10 0 GHAELO COc1ccccc1C[C@H]1CCC[N@@H+]1Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000103458139 872015879 /nfs/dbraw/zinc/01/58/79/872015879.db2.gz RJQXZVHFCGVWOO-QGZVFWFLSA-N 1 2 389.569 3.734 10 0 GHAELO COc1ccccc1C[C@H]1CCC[N@H+]1Cn1nc(N(C)C)n(C(C)C)c1=S ZINC000103458139 872015900 /nfs/dbraw/zinc/01/59/00/872015900.db2.gz RJQXZVHFCGVWOO-QGZVFWFLSA-N 1 2 389.569 3.734 10 0 GHAELO Cc1cc(SC2CCCCC2)ccc1NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000150795674 872322993 /nfs/dbraw/zinc/32/29/93/872322993.db2.gz KFYKZCODCWZGEX-MRXNPFEDSA-N 1 2 377.554 3.872 10 0 GHAELO Cc1cc(SC2CCCCC2)ccc1NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000150795674 872323007 /nfs/dbraw/zinc/32/30/07/872323007.db2.gz KFYKZCODCWZGEX-MRXNPFEDSA-N 1 2 377.554 3.872 10 0 GHAELO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178071029 882862838 /nfs/dbraw/zinc/86/28/38/882862838.db2.gz QADGXVRBPXFQPH-RISCZKNCSA-N 1 2 376.806 3.798 10 0 GHAELO O=C(C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178071029 882862858 /nfs/dbraw/zinc/86/28/58/882862858.db2.gz QADGXVRBPXFQPH-RISCZKNCSA-N 1 2 376.806 3.798 10 0 GHAELO Cc1ccc(-c2cnc(CCC(=O)N3CCCN(c4cccc[nH+]4)CC3)o2)cc1 ZINC000186438636 883646030 /nfs/dbraw/zinc/64/60/30/883646030.db2.gz HSRLFFHPUKRPPW-UHFFFAOYSA-N 1 2 390.487 3.717 10 0 GHAELO C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(Cc2nccn2C)CC1 ZINC000106164979 886026888 /nfs/dbraw/zinc/02/68/88/886026888.db2.gz NZBNMSJPRGRFSL-AWEZNQCLSA-N 1 2 394.441 3.721 10 0 GHAELO COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc(Cl)c1OC ZINC000126566785 886982370 /nfs/dbraw/zinc/98/23/70/886982370.db2.gz SYNNMVPGIIRCFE-RMLGOWPTSA-N 1 2 389.883 3.677 10 0 GHAELO FC(F)(F)c1ccc(-n2nnnc2C[N@@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195359045 888657143 /nfs/dbraw/zinc/65/71/43/888657143.db2.gz CUJWPNZFMGVVQC-LBPRGKRZSA-N 1 2 394.426 3.517 10 0 GHAELO FC(F)(F)c1ccc(-n2nnnc2C[N@H+]2CCC[C@H](c3nccs3)C2)cc1 ZINC000195359045 888657147 /nfs/dbraw/zinc/65/71/47/888657147.db2.gz CUJWPNZFMGVVQC-LBPRGKRZSA-N 1 2 394.426 3.517 10 0 GHAELO COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3nccs3)C2)c(OC)cc1Cl ZINC000195345335 888681283 /nfs/dbraw/zinc/68/12/83/888681283.db2.gz FQUNENVZQNAYBE-GFCCVEGCSA-N 1 2 395.912 3.632 10 0 GHAELO COc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3nccs3)C2)c(OC)cc1Cl ZINC000195345335 888681286 /nfs/dbraw/zinc/68/12/86/888681286.db2.gz FQUNENVZQNAYBE-GFCCVEGCSA-N 1 2 395.912 3.632 10 0 GHAELO CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245584362 888997826 /nfs/dbraw/zinc/99/78/26/888997826.db2.gz ITNAYUCXGAZALR-JCGIZDLHSA-N 1 2 390.890 3.505 10 0 GHAELO CC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245584362 888997835 /nfs/dbraw/zinc/99/78/35/888997835.db2.gz ITNAYUCXGAZALR-JCGIZDLHSA-N 1 2 390.890 3.505 10 0 GHAELO C[N@@H+]1CC[C@@H](NC(=O)NCc2nc(C3CC3)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245697989 889262844 /nfs/dbraw/zinc/26/28/44/889262844.db2.gz QFDFKOYMYUDLOH-CRAIPNDOSA-N 1 2 392.475 3.543 10 0 GHAELO C[N@H+]1CC[C@@H](NC(=O)NCc2nc(C3CC3)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245697989 889262859 /nfs/dbraw/zinc/26/28/59/889262859.db2.gz QFDFKOYMYUDLOH-CRAIPNDOSA-N 1 2 392.475 3.543 10 0 GHAELO Cc1nc(N2CCN(C(=O)C3CCCC3)CC2)c(Cc2ccccc2F)c(C)[nH+]1 ZINC000006740571 204197998 /nfs/dbraw/zinc/19/79/98/204197998.db2.gz LFEVRJKVITYUSR-UHFFFAOYSA-N 1 2 396.510 3.662 10 0 GHAELO Nc1c(NC2CCCC2)nc[nH+]c1Nc1ccc(I)cc1 ZINC000040782412 205073105 /nfs/dbraw/zinc/07/31/05/205073105.db2.gz QZZJVINNGRCBJJ-UHFFFAOYSA-N 1 2 395.248 3.762 10 0 GHAELO Nc1c(Nc2ccc(I)cc2)nc[nH+]c1NC1CCCC1 ZINC000040782412 205073110 /nfs/dbraw/zinc/07/31/10/205073110.db2.gz QZZJVINNGRCBJJ-UHFFFAOYSA-N 1 2 395.248 3.762 10 0 GHAELO Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864528 835684914 /nfs/dbraw/zinc/68/49/14/835684914.db2.gz YPCBCEFQNQMHJY-BQYQJAHWSA-N 1 2 395.894 3.908 10 0 GHAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2)[nH]1 ZINC000162546392 843272194 /nfs/dbraw/zinc/27/21/94/843272194.db2.gz VOPWAMSCIQKLMW-IFXJQAMLSA-N 1 2 377.448 3.510 10 0 GHAELO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117896202 874231178 /nfs/dbraw/zinc/23/11/78/874231178.db2.gz OMQGOBYUCRJRBL-AWEZNQCLSA-N 1 2 399.516 3.831 10 0 GHAELO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117896202 874231189 /nfs/dbraw/zinc/23/11/89/874231189.db2.gz OMQGOBYUCRJRBL-AWEZNQCLSA-N 1 2 399.516 3.831 10 0 GHAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)C1 ZINC000119472099 875260241 /nfs/dbraw/zinc/26/02/41/875260241.db2.gz OUZKFGGQPXRLDD-ZDUSSCGKSA-N 1 2 388.418 3.598 10 0 GHAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000122463541 878925812 /nfs/dbraw/zinc/92/58/12/878925812.db2.gz BHKFXQSRNRZRDU-SJORKVTESA-N 1 2 394.441 3.558 10 0 GHAELO Cc1cc(N2CCCC2)ccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184036918 883302723 /nfs/dbraw/zinc/30/27/23/883302723.db2.gz BVOJDOGFUSPQHL-UHFFFAOYSA-N 1 2 379.508 3.734 10 0 GHAELO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000245699721 889276685 /nfs/dbraw/zinc/27/66/85/889276685.db2.gz MZXMGDDTZJRZJN-YLJYHZDGSA-N 1 2 395.532 3.526 10 0 GHAELO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000245699721 889276698 /nfs/dbraw/zinc/27/66/98/889276698.db2.gz MZXMGDDTZJRZJN-YLJYHZDGSA-N 1 2 395.532 3.526 10 0 GHAELO C[C@@H]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000246330469 891022390 /nfs/dbraw/zinc/02/23/90/891022390.db2.gz GCMWSONYBVTPHH-CSMYWGQOSA-N 1 2 382.291 3.723 10 0 GHAELO C[N@@H+]1CC[C@@H](NC(=O)CCc2ncc(C(C)(C)C)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000249210605 891501689 /nfs/dbraw/zinc/50/16/89/891501689.db2.gz AJDKFLWWWGECLE-UZLBHIALSA-N 1 2 391.462 3.745 10 0 GHAELO C[N@H+]1CC[C@@H](NC(=O)CCc2ncc(C(C)(C)C)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000249210605 891501699 /nfs/dbraw/zinc/50/16/99/891501699.db2.gz AJDKFLWWWGECLE-UZLBHIALSA-N 1 2 391.462 3.745 10 0 GHAELO C[C@@H](NC(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1cccc(-n2cc[nH+]c2)c1 ZINC000333238368 900058717 /nfs/dbraw/zinc/05/87/17/900058717.db2.gz PNVPEZWFTRWGMR-UIFIKXQLSA-N 1 2 394.519 3.924 10 0 GHAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000153200867 842271524 /nfs/dbraw/zinc/27/15/24/842271524.db2.gz TVPPWAWCFKDAGZ-KSFYIVLOSA-N 1 2 395.551 3.503 10 0 GHAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)/C=C\c2ccccc2Cl)CC1 ZINC000588538208 848017826 /nfs/dbraw/zinc/01/78/26/848017826.db2.gz HPYKLXDWVQIMSH-KHPPLWFESA-N 1 2 397.906 3.656 10 0 GHAELO Cc1cccc(-c2noc(C[N@@H+]3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)n2)c1 ZINC000101920614 860064699 /nfs/dbraw/zinc/06/46/99/860064699.db2.gz BMFMSPLPZTXNIG-SFHVURJKSA-N 1 2 395.438 3.580 10 0 GHAELO Cc1cccc(-c2noc(C[N@H+]3CC[C@H](NC(=O)Nc4ccc(F)cc4)C3)n2)c1 ZINC000101920614 860064712 /nfs/dbraw/zinc/06/47/12/860064712.db2.gz BMFMSPLPZTXNIG-SFHVURJKSA-N 1 2 395.438 3.580 10 0 GHAELO C[C@@H]1CCCN(c2cc(NC3CCN(C(=O)c4ccccc4F)CC3)[nH+]cn2)C1 ZINC000110212029 866612246 /nfs/dbraw/zinc/61/22/46/866612246.db2.gz AVDBDNPRYCVJCD-MRXNPFEDSA-N 1 2 397.498 3.569 10 0 GHAELO C[C@@H]1CCCN(c2cc(NC3CCN(C(=O)c4ccccc4F)CC3)nc[nH+]2)C1 ZINC000110212029 866612259 /nfs/dbraw/zinc/61/22/59/866612259.db2.gz AVDBDNPRYCVJCD-MRXNPFEDSA-N 1 2 397.498 3.569 10 0 GHAELO COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)C2)c1 ZINC000175402215 882551524 /nfs/dbraw/zinc/55/15/24/882551524.db2.gz ISYVGBFCNHMDRI-KRWDZBQOSA-N 1 2 377.444 3.519 10 0 GHAELO O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177776444 882824909 /nfs/dbraw/zinc/82/49/09/882824909.db2.gz XCWSYRRDLADONW-KRWDZBQOSA-N 1 2 384.867 3.815 10 0 GHAELO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1 ZINC000180608287 883083743 /nfs/dbraw/zinc/08/37/43/883083743.db2.gz DOBJMHYYMRVKSF-OAHLLOKOSA-N 1 2 389.887 3.972 10 0 GHAELO COc1ccc(-n2ccc(C[NH2+][C@H](C)c3cnn(-c4ccccn4)c3C)n2)cc1 ZINC000121703058 877668877 /nfs/dbraw/zinc/66/88/77/877668877.db2.gz QNYYTKRCBYSHEO-MRXNPFEDSA-N 1 2 388.475 3.621 10 0 GHAELO Cc1c(Br)cccc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184098833 883316967 /nfs/dbraw/zinc/31/69/67/883316967.db2.gz OYGPVIBTHOCXDM-UHFFFAOYSA-N 1 2 389.297 3.897 10 0 GHAELO CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000186442141 883646233 /nfs/dbraw/zinc/64/62/33/883646233.db2.gz YQAYBLHWGAYSGH-UHFFFAOYSA-N 1 2 396.491 3.781 10 0 GHAELO Cc1nc(-c2cccs2)sc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186381815 883652499 /nfs/dbraw/zinc/65/24/99/883652499.db2.gz RCKDBZFBWLQXOP-UHFFFAOYSA-N 1 2 384.530 3.928 10 0 GHAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152844 884049916 /nfs/dbraw/zinc/04/99/16/884049916.db2.gz CCRLKUGASUYYCJ-GHTZIAJQSA-N 1 2 389.459 3.679 10 0 GHAELO CO[C@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152844 884049930 /nfs/dbraw/zinc/04/99/30/884049930.db2.gz CCRLKUGASUYYCJ-GHTZIAJQSA-N 1 2 389.459 3.679 10 0 GHAELO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000119019584 886422181 /nfs/dbraw/zinc/42/21/81/886422181.db2.gz XVNSJRHBZHIUNR-RTBURBONSA-N 1 2 398.507 3.530 10 0 GHAELO Cc1ccc([C@H]2CN(C(=O)N[C@@H](C)c3cccc(-n4cc[nH+]c4)c3)CCO2)o1 ZINC000120735787 886529873 /nfs/dbraw/zinc/52/98/73/886529873.db2.gz XKEMZCOLYCREAK-OXJNMPFZSA-N 1 2 380.448 3.618 10 0 GHAELO Fc1ccc(N2CCC[N@H+](Cc3nc(COc4ccccc4)no3)CC2)cc1 ZINC000011937900 204364757 /nfs/dbraw/zinc/36/47/57/204364757.db2.gz UYJWHZXODVFKJV-UHFFFAOYSA-N 1 2 382.439 3.500 10 0 GHAELO Fc1ccc(N2CCC[N@@H+](Cc3nc(COc4ccccc4)no3)CC2)cc1 ZINC000011937900 204364762 /nfs/dbraw/zinc/36/47/62/204364762.db2.gz UYJWHZXODVFKJV-UHFFFAOYSA-N 1 2 382.439 3.500 10 0 GHAELO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@@]12CCCN(C(=O)c1ccncc1)C2 ZINC000065260046 570761783 /nfs/dbraw/zinc/76/17/83/570761783.db2.gz HYVZGNYABJOVFO-JOCHJYFZSA-N 1 2 377.492 3.600 10 0 GHAELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2)[nH]1 ZINC000162546526 843272288 /nfs/dbraw/zinc/27/22/88/843272288.db2.gz VOPWAMSCIQKLMW-LIRRHRJNSA-N 1 2 377.448 3.510 10 0 GHAELO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)Nc2nc3c(s2)CCCCCC3)CCO1 ZINC000282189151 857200591 /nfs/dbraw/zinc/20/05/91/857200591.db2.gz RVUSQSPYUGSIIL-BBRMVZONSA-N 1 2 389.525 3.577 10 0 GHAELO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193576439 859174436 /nfs/dbraw/zinc/17/44/36/859174436.db2.gz YOCOQEQJYWQUEC-PMACEKPBSA-N 1 2 384.520 3.583 10 0 GHAELO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193576439 859174451 /nfs/dbraw/zinc/17/44/51/859174451.db2.gz YOCOQEQJYWQUEC-PMACEKPBSA-N 1 2 384.520 3.583 10 0 GHAELO O=C(Nc1ccc(OC2CCCC2)c(Cl)c1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173888401 860444467 /nfs/dbraw/zinc/44/44/67/860444467.db2.gz VEACQJVYUBEZEP-MRXNPFEDSA-N 1 2 393.915 3.600 10 0 GHAELO Cc1cccc2[nH]cc(CCNC(=O)NCc3cc[nH+]c(N4CCCC4)c3)c21 ZINC000103178059 863902491 /nfs/dbraw/zinc/90/24/91/863902491.db2.gz UBAUCNPICFOFFD-UHFFFAOYSA-N 1 2 377.492 3.513 10 0 GHAELO CC(C)c1nn(C)c(Cl)c1C[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000092149234 882282622 /nfs/dbraw/zinc/28/26/22/882282622.db2.gz HUEHRSDDOVKPIS-UHFFFAOYSA-N 1 2 380.945 3.607 10 0 GHAELO CC(C)c1nn(C)c(Cl)c1C[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000092149234 882282634 /nfs/dbraw/zinc/28/26/34/882282634.db2.gz HUEHRSDDOVKPIS-UHFFFAOYSA-N 1 2 380.945 3.607 10 0 GHAELO Cc1cc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1NC(=O)CC(C)C ZINC000186450789 883646445 /nfs/dbraw/zinc/64/64/45/883646445.db2.gz LSTWTLVAPDXWEL-UHFFFAOYSA-N 1 2 394.519 3.727 10 0 GHAELO C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186651779 883681017 /nfs/dbraw/zinc/68/10/17/883681017.db2.gz OOJPAINTLNKCRW-AWEZNQCLSA-N 1 2 399.520 3.636 10 0 GHAELO Cc1cc(C)c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1Br ZINC000187541977 883799840 /nfs/dbraw/zinc/79/98/40/883799840.db2.gz UKQKYEFHVHZSCG-AWEZNQCLSA-N 1 2 377.286 3.959 10 0 GHAELO C[C@H](C1CC1)N(C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000188876354 883890156 /nfs/dbraw/zinc/89/01/56/883890156.db2.gz VUWPQHPBWISYCQ-OAHLLOKOSA-N 1 2 392.503 3.614 10 0 GHAELO CC[N@H+](Cc1nc(-c2cccc(C)c2)no1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102932130 885981006 /nfs/dbraw/zinc/98/10/06/885981006.db2.gz MQBPIRJTNLARNK-UHFFFAOYSA-N 1 2 378.476 3.769 10 0 GHAELO CC[N@@H+](Cc1nc(-c2cccc(C)c2)no1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000102932130 885981026 /nfs/dbraw/zinc/98/10/26/885981026.db2.gz MQBPIRJTNLARNK-UHFFFAOYSA-N 1 2 378.476 3.769 10 0 GHAELO Cc1ccc(-c2nc(N3C[C@@H](C)O[C@@H](C)C3)ncc2-c2ccc(N)[nH+]c2)cc1 ZINC000065506958 136164009 /nfs/dbraw/zinc/16/40/09/136164009.db2.gz MBNGFWZBNINSJX-IYBDPMFKSA-N 1 2 375.476 3.710 10 0 GHAELO NC(=O)C1CCN(c2nc(NCc3ccccc3Cl)c3ccccc3[nH+]2)CC1 ZINC000072260566 136167840 /nfs/dbraw/zinc/16/78/40/136167840.db2.gz XSKLHYAHKOOTBC-UHFFFAOYSA-N 1 2 395.894 3.597 10 0 GHAELO Cc1csc(C2CC[NH+](CC(=O)Nc3ccccc3OC(F)F)CC2)n1 ZINC000156773743 834549636 /nfs/dbraw/zinc/54/96/36/834549636.db2.gz ZNEQLSSHBSBPSD-UHFFFAOYSA-N 1 2 381.448 3.871 10 0 GHAELO C[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000186238545 843059017 /nfs/dbraw/zinc/05/90/17/843059017.db2.gz JOILUNVVQQYQND-SLYNCCJLSA-N 1 2 384.545 3.548 10 0 GHAELO C[C@@H]1C[C@@H](N[C@@H]2CCS(=O)(=O)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000186238545 843059034 /nfs/dbraw/zinc/05/90/34/843059034.db2.gz JOILUNVVQQYQND-SLYNCCJLSA-N 1 2 384.545 3.548 10 0 GHAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)/C=C/c2ccccc2OC(F)F)C1 ZINC000119621998 846130857 /nfs/dbraw/zinc/13/08/57/846130857.db2.gz DILVRGPMPAIIIQ-HVHJFMEUSA-N 1 2 375.419 3.516 10 0 GHAELO C[C@H]1Sc2ccc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)cc2NC1=O ZINC000328651844 854489825 /nfs/dbraw/zinc/48/98/25/854489825.db2.gz KARDXZXTPIAUTL-SJKOYZFVSA-N 1 2 385.464 3.695 10 0 GHAELO Cc1cc([C@@H]2CCCN(c3cc[nH+]c(N[C@H]4CCCO[C@@H]4C(C)C)n3)C2)[nH]n1 ZINC000328786068 854555934 /nfs/dbraw/zinc/55/59/34/854555934.db2.gz JACWGZKUGFRMLY-FUHIMQAGSA-N 1 2 384.528 3.508 10 0 GHAELO CCCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1C ZINC000103472611 863999836 /nfs/dbraw/zinc/99/98/36/863999836.db2.gz AKACPBNSOTWLNH-QGZVFWFLSA-N 1 2 375.557 3.570 10 0 GHAELO CC(C)[C@H](C)NC(=O)C1CC[NH+](CN2c3cccc4cccc(c34)C2=O)CC1 ZINC000101539394 872077331 /nfs/dbraw/zinc/07/73/31/872077331.db2.gz RGBIVJPWFIYXRT-INIZCTEOSA-N 1 2 379.504 3.630 10 0 GHAELO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178127292 882888422 /nfs/dbraw/zinc/88/84/22/882888422.db2.gz DFRHBQSVEADFAQ-SJKOYZFVSA-N 1 2 390.833 3.924 10 0 GHAELO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178127292 882888432 /nfs/dbraw/zinc/88/84/32/882888432.db2.gz DFRHBQSVEADFAQ-SJKOYZFVSA-N 1 2 390.833 3.924 10 0 GHAELO CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186052047 883608171 /nfs/dbraw/zinc/60/81/71/883608171.db2.gz COOWBYHKUBKLNR-INIZCTEOSA-N 1 2 396.516 3.756 10 0 GHAELO CCOc1ccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1OC ZINC000103974726 885206271 /nfs/dbraw/zinc/20/62/71/885206271.db2.gz DTNQEOOPHFBILH-MRXNPFEDSA-N 1 2 386.467 3.752 10 0 GHAELO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246605226 891291492 /nfs/dbraw/zinc/29/14/92/891291492.db2.gz DFRHBQSVEADFAQ-SJCJKPOMSA-N 1 2 390.833 3.924 10 0 GHAELO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246605226 891291506 /nfs/dbraw/zinc/29/15/06/891291506.db2.gz DFRHBQSVEADFAQ-SJCJKPOMSA-N 1 2 390.833 3.924 10 0 GHAELO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000247270990 891362079 /nfs/dbraw/zinc/36/20/79/891362079.db2.gz WIPGBIJLROVKHK-BZUAXINKSA-N 1 2 379.526 3.953 10 0 GHAELO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000247270990 891362096 /nfs/dbraw/zinc/36/20/96/891362096.db2.gz WIPGBIJLROVKHK-BZUAXINKSA-N 1 2 379.526 3.953 10 0 GHAELO Cc1cc(C)c(N2CC[C@@H]([N@H+](C)Cc3ccc([S@@](C)=O)cc3)C2=O)c(C)c1 ZINC000249150290 891499821 /nfs/dbraw/zinc/49/98/21/891499821.db2.gz XOLANAWNTKLBHT-NFQMXDRXSA-N 1 2 384.545 3.587 10 0 GHAELO Cc1cc(C)c(N2CC[C@@H]([N@@H+](C)Cc3ccc([S@@](C)=O)cc3)C2=O)c(C)c1 ZINC000249150290 891499833 /nfs/dbraw/zinc/49/98/33/891499833.db2.gz XOLANAWNTKLBHT-NFQMXDRXSA-N 1 2 384.545 3.587 10 0 GHAELO Cc1ccc(CNC(=O)c2cc3c(n2C)CC[N@@H+](Cc2cccc(F)c2)C3)o1 ZINC000065211118 205219702 /nfs/dbraw/zinc/21/97/02/205219702.db2.gz VRBZGORJNAEAEN-UHFFFAOYSA-N 1 2 381.451 3.554 10 0 GHAELO Cc1ccc(CNC(=O)c2cc3c(n2C)CC[N@H+](Cc2cccc(F)c2)C3)o1 ZINC000065211118 205219706 /nfs/dbraw/zinc/21/97/06/205219706.db2.gz VRBZGORJNAEAEN-UHFFFAOYSA-N 1 2 381.451 3.554 10 0 GHAELO C[NH+](C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000583615189 570800572 /nfs/dbraw/zinc/80/05/72/570800572.db2.gz PVQUAZOAOZKDFS-ULQDDVLXSA-N 1 2 388.899 3.642 10 0 GHAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)c2ccccc2)[nH]1 ZINC000162546798 843272644 /nfs/dbraw/zinc/27/26/44/843272644.db2.gz VOPWAMSCIQKLMW-KUHUBIRLSA-N 1 2 377.448 3.510 10 0 GHAELO O=C(N[C@H]1CCOc2ccccc21)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000333457964 845365745 /nfs/dbraw/zinc/36/57/45/845365745.db2.gz OYARFVHUWLDTFW-IBGZPJMESA-N 1 2 380.492 3.632 10 0 GHAELO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)Nc2nc3c(s2)CCCCCC3)CCO1 ZINC000282189155 857200522 /nfs/dbraw/zinc/20/05/22/857200522.db2.gz RVUSQSPYUGSIIL-CZUORRHYSA-N 1 2 389.525 3.577 10 0 GHAELO CC(=O)N1CC[C@@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)c2ccc(F)cc2C1 ZINC000302207638 865766418 /nfs/dbraw/zinc/76/64/18/865766418.db2.gz XHJJWRGMFQFLCN-GOSISDBHSA-N 1 2 396.470 3.626 10 0 GHAELO COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000184060427 883331945 /nfs/dbraw/zinc/33/19/45/883331945.db2.gz UGRWRJVNMLRQCS-WBMJQRKESA-N 1 2 390.871 3.747 10 0 GHAELO c1ccc(-c2cnc(C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)nc2)cc1 ZINC000185867184 883596121 /nfs/dbraw/zinc/59/61/21/883596121.db2.gz PYQUJAKPMNISHX-JOCHJYFZSA-N 1 2 375.472 3.991 10 0 GHAELO CC(C)c1nn(C)c2sc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)cc12 ZINC000186419469 883642544 /nfs/dbraw/zinc/64/25/44/883642544.db2.gz RRYSNZAEOCSHKF-UHFFFAOYSA-N 1 2 383.521 3.506 10 0 GHAELO COc1ccc([C@@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c2nccn2C)cc1 ZINC000186406216 883642977 /nfs/dbraw/zinc/64/29/77/883642977.db2.gz QFEZWEHLFSKJTH-OAQYLSRUSA-N 1 2 393.487 3.953 10 0 GHAELO O=C(C[C@H](c1ccccc1)C(F)(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186407697 883643120 /nfs/dbraw/zinc/64/31/20/883643120.db2.gz LOVVPDFGDZVESP-QGZVFWFLSA-N 1 2 377.410 3.857 10 0 GHAELO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000117974540 886398542 /nfs/dbraw/zinc/39/85/42/886398542.db2.gz RRMOWJQSPQYPTN-OAQYLSRUSA-N 1 2 379.435 3.597 10 0 GHAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000119147363 886429472 /nfs/dbraw/zinc/42/94/72/886429472.db2.gz DYZDCXYCGYOCKC-MRXNPFEDSA-N 1 2 382.533 3.834 10 0 GHAELO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@@H]1CC(=O)Nc2ccccc21 ZINC000044567969 886975802 /nfs/dbraw/zinc/97/58/02/886975802.db2.gz QTOWEBLCUBSOPC-LJQANCHMSA-N 1 2 386.455 3.951 10 0 GHAELO O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)N(Cc1ccco1)CC(F)(F)F ZINC000195348282 888683150 /nfs/dbraw/zinc/68/31/50/888683150.db2.gz SLIBEFWIPDZEPL-CYBMUJFWSA-N 1 2 387.427 3.507 10 0 GHAELO O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)N(Cc1ccco1)CC(F)(F)F ZINC000195348282 888683160 /nfs/dbraw/zinc/68/31/60/888683160.db2.gz SLIBEFWIPDZEPL-CYBMUJFWSA-N 1 2 387.427 3.507 10 0 GHAELO O=C(C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1nc(-c2ccco2)cs1 ZINC000246660066 891296506 /nfs/dbraw/zinc/29/65/06/891296506.db2.gz PVVFFLMPIYNJIZ-DZGCQCFKSA-N 1 2 387.461 3.523 10 0 GHAELO O=C(C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1)Nc1nc(-c2ccco2)cs1 ZINC000246660066 891296519 /nfs/dbraw/zinc/29/65/19/891296519.db2.gz PVVFFLMPIYNJIZ-DZGCQCFKSA-N 1 2 387.461 3.523 10 0 GHAELO CN1CC[C@H](C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249106995 891495633 /nfs/dbraw/zinc/49/56/33/891495633.db2.gz PRVSZMGBZXOPKS-LSTHTHJFSA-N 1 2 399.901 3.969 10 0 GHAELO Nc1c(Nc2ccc(Br)cn2)nc[nH+]c1NCc1ccc(F)cc1 ZINC000040779953 205071127 /nfs/dbraw/zinc/07/11/27/205071127.db2.gz ASTYIMOJHDUOSX-UHFFFAOYSA-N 1 2 389.232 3.711 10 0 GHAELO Cc1c(C(=O)N2CC[NH+](C)CC2)oc2c1C1(CC(C)(C)C2)SCCS1 ZINC000040802904 205072100 /nfs/dbraw/zinc/07/21/00/205072100.db2.gz MWMXIEPWTLBDFJ-UHFFFAOYSA-N 1 2 380.579 3.581 10 0 GHAELO C[NH+](C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)o1 ZINC000583615188 570800606 /nfs/dbraw/zinc/80/06/06/570800606.db2.gz PVQUAZOAOZKDFS-IKGGRYGDSA-N 1 2 388.899 3.642 10 0 GHAELO Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cc(F)cc(Cl)c3O)C1)CCCC2 ZINC000408416761 844195182 /nfs/dbraw/zinc/19/51/82/844195182.db2.gz VTAZYAPHYXXRLA-CYBMUJFWSA-N 1 2 377.847 3.656 10 0 GHAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000153200933 842272646 /nfs/dbraw/zinc/27/26/46/842272646.db2.gz TVPPWAWCFKDAGZ-AOMKIAJQSA-N 1 2 395.551 3.503 10 0 GHAELO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330240 861293187 /nfs/dbraw/zinc/29/31/87/861293187.db2.gz LPAYOEUXIXVPSJ-QAPCUYQASA-N 1 2 386.471 3.707 10 0 GHAELO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330240 861293198 /nfs/dbraw/zinc/29/31/98/861293198.db2.gz LPAYOEUXIXVPSJ-QAPCUYQASA-N 1 2 386.471 3.707 10 0 GHAELO CCc1noc(-c2ccc(C)c(NC(=O)N3CCC[C@@H]3Cn3cc[nH+]c3)c2)n1 ZINC000151347521 845191988 /nfs/dbraw/zinc/19/19/88/845191988.db2.gz BHTHOLVLXMBIOT-MRXNPFEDSA-N 1 2 380.452 3.500 10 0 GHAELO O=C1C[C@H](c2cccc(F)c2)CN1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102921189 873881909 /nfs/dbraw/zinc/88/19/09/873881909.db2.gz GTTLTENMZRWUNS-PKOBYXMFSA-N 1 2 382.435 3.665 10 0 GHAELO O=C1C[C@H](c2cccc(F)c2)CN1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102921189 873881923 /nfs/dbraw/zinc/88/19/23/873881923.db2.gz GTTLTENMZRWUNS-PKOBYXMFSA-N 1 2 382.435 3.665 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@@H](c3cc(OC)cc(OC)c3)C2)cs1 ZINC000177418411 882796035 /nfs/dbraw/zinc/79/60/35/882796035.db2.gz CAQDPOFURDESAZ-OAHLLOKOSA-N 1 2 389.521 3.523 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@@H](c3cc(OC)cc(OC)c3)C2)cs1 ZINC000177418411 882796042 /nfs/dbraw/zinc/79/60/42/882796042.db2.gz CAQDPOFURDESAZ-OAHLLOKOSA-N 1 2 389.521 3.523 10 0 GHAELO COc1ccccc1[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000177505880 882808723 /nfs/dbraw/zinc/80/87/23/882808723.db2.gz BSJWVFYQOBQBEY-KNQAVFIVSA-N 1 2 390.487 3.855 10 0 GHAELO COc1ccccc1-c1nnc(CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)o1 ZINC000179639956 883016774 /nfs/dbraw/zinc/01/67/74/883016774.db2.gz GWXMWTQBJFXHHN-MRXNPFEDSA-N 1 2 396.466 3.763 10 0 GHAELO O=C(c1cccs1)c1ccccc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184228583 883337343 /nfs/dbraw/zinc/33/73/43/883337343.db2.gz FAZPYHKNIXLYCO-UHFFFAOYSA-N 1 2 391.496 3.727 10 0 GHAELO O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186407717 883643199 /nfs/dbraw/zinc/64/31/99/883643199.db2.gz LOVVPDFGDZVESP-KRWDZBQOSA-N 1 2 377.410 3.857 10 0 GHAELO O=C(c1ncoc1-c1ccccc1Cl)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186427864 883644026 /nfs/dbraw/zinc/64/40/26/883644026.db2.gz QIKZPSDZTKCMFB-UHFFFAOYSA-N 1 2 382.851 3.743 10 0 GHAELO C[C@H](O)c1ccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)cc1 ZINC000247651822 891391131 /nfs/dbraw/zinc/39/11/31/891391131.db2.gz WLOXYENVHQGGGR-KNXBSLHKSA-N 1 2 390.487 3.664 10 0 GHAELO C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1nccs1 ZINC000248576656 891465114 /nfs/dbraw/zinc/46/51/14/891465114.db2.gz DRUDDBQXBJGJRO-ZTFGCOKTSA-N 1 2 381.505 3.671 10 0 GHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000106207845 840760554 /nfs/dbraw/zinc/76/05/54/840760554.db2.gz CEESOQIAXRNEJE-INIZCTEOSA-N 1 2 383.521 3.731 10 0 GHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CC(=O)Nc1nc2ccc(C)cc2s1 ZINC000106207845 840760564 /nfs/dbraw/zinc/76/05/64/840760564.db2.gz CEESOQIAXRNEJE-INIZCTEOSA-N 1 2 383.521 3.731 10 0 GHAELO O=C(C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000328809751 842047578 /nfs/dbraw/zinc/04/75/78/842047578.db2.gz MMJHAHFOISBGNP-WOJBJXKFSA-N 1 2 387.499 3.538 10 0 GHAELO O=C(C[N@H+]1CCC[C@H]2C(=O)NC[C@H]21)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000328809751 842047584 /nfs/dbraw/zinc/04/75/84/842047584.db2.gz MMJHAHFOISBGNP-WOJBJXKFSA-N 1 2 387.499 3.538 10 0 GHAELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)[nH]1 ZINC000162492403 843265821 /nfs/dbraw/zinc/26/58/21/843265821.db2.gz HYOZPKIDGCAXOA-LIRRHRJNSA-N 1 2 377.448 3.510 10 0 GHAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]21 ZINC000328968175 854636692 /nfs/dbraw/zinc/63/66/92/854636692.db2.gz UBXGSIOKBKKNCT-PMACEKPBSA-N 1 2 385.439 3.555 10 0 GHAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]21 ZINC000328968175 854636696 /nfs/dbraw/zinc/63/66/96/854636696.db2.gz UBXGSIOKBKKNCT-PMACEKPBSA-N 1 2 385.439 3.555 10 0 GHAELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000103975011 864141615 /nfs/dbraw/zinc/14/16/15/864141615.db2.gz RULAXKSYIHDNHE-MRXNPFEDSA-N 1 2 395.478 3.693 10 0 GHAELO O=C(CN1CCC(n2cc[nH+]c2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000171942931 882179526 /nfs/dbraw/zinc/17/95/26/882179526.db2.gz SGCKDMFQFLJLDQ-UHFFFAOYSA-N 1 2 386.805 3.831 10 0 GHAELO O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000176349661 882682822 /nfs/dbraw/zinc/68/28/22/882682822.db2.gz BTIJXBXTLYXORV-HXUWFJFHSA-N 1 2 389.459 3.832 10 0 GHAELO Cc1ccc(OC2CC[NH+](CC(=O)Nc3ccccc3C(F)(F)F)CC2)nc1 ZINC000182842588 883245421 /nfs/dbraw/zinc/24/54/21/883245421.db2.gz UFYIBRHKWRFCAZ-UHFFFAOYSA-N 1 2 393.409 3.891 10 0 GHAELO O=C(NC[C@@H](c1ccccc1)C(F)(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000187248015 883774050 /nfs/dbraw/zinc/77/40/50/883774050.db2.gz AQLYGRIDHYSJJQ-KRWDZBQOSA-N 1 2 392.425 3.649 10 0 GHAELO COc1cc(Cl)c(C)cc1N1C(=O)C[C@H]([N@H+](C)Cc2ccc(F)cc2)C1=O ZINC000105521691 884799078 /nfs/dbraw/zinc/79/90/78/884799078.db2.gz IABGFEJQOUJVHV-KRWDZBQOSA-N 1 2 390.842 3.560 10 0 GHAELO COc1cc(Cl)c(C)cc1N1C(=O)C[C@H]([N@@H+](C)Cc2ccc(F)cc2)C1=O ZINC000105521691 884799092 /nfs/dbraw/zinc/79/90/92/884799092.db2.gz IABGFEJQOUJVHV-KRWDZBQOSA-N 1 2 390.842 3.560 10 0 GHAELO CN(Cc1ccc(Cl)nc1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245762787 889666173 /nfs/dbraw/zinc/66/61/73/889666173.db2.gz IYBDIXCLXITWNN-SJLPKXTDSA-N 1 2 394.853 3.600 10 0 GHAELO CN(Cc1ccc(Cl)nc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245762787 889666179 /nfs/dbraw/zinc/66/61/79/889666179.db2.gz IYBDIXCLXITWNN-SJLPKXTDSA-N 1 2 394.853 3.600 10 0 GHAELO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Cl)n1 ZINC000248814654 891471598 /nfs/dbraw/zinc/47/15/98/891471598.db2.gz UBXPEEHULOWTLI-HZPDHXFCSA-N 1 2 380.897 3.844 10 0 GHAELO CCOC(=O)c1csc([C@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2Cl)n1 ZINC000248814654 891471605 /nfs/dbraw/zinc/47/16/05/891471605.db2.gz UBXPEEHULOWTLI-HZPDHXFCSA-N 1 2 380.897 3.844 10 0 GHAELO C[NH+](C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)o1 ZINC000583615187 570800436 /nfs/dbraw/zinc/80/04/36/570800436.db2.gz PVQUAZOAOZKDFS-BBWFWOEESA-N 1 2 388.899 3.642 10 0 GHAELO Cc1csc(C2CC[NH+](CC(=O)N(C)c3nc4ccccc4s3)CC2)n1 ZINC000156791326 834559038 /nfs/dbraw/zinc/55/90/38/834559038.db2.gz ADMIHZKJQQQREL-UHFFFAOYSA-N 1 2 386.546 3.904 10 0 GHAELO Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)C(C)C ZINC000332789729 836625988 /nfs/dbraw/zinc/62/59/88/836625988.db2.gz KSBAMQUPADCVLE-MISYRCLQSA-N 1 2 385.508 3.553 10 0 GHAELO Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)C(C)C ZINC000332789729 836625994 /nfs/dbraw/zinc/62/59/94/836625994.db2.gz KSBAMQUPADCVLE-MISYRCLQSA-N 1 2 385.508 3.553 10 0 GHAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)[nH]1 ZINC000162492260 843265515 /nfs/dbraw/zinc/26/55/15/843265515.db2.gz HYOZPKIDGCAXOA-IFXJQAMLSA-N 1 2 377.448 3.510 10 0 GHAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)/C=C\c3ccccc3Cl)c2)CC1 ZINC000588538761 848022278 /nfs/dbraw/zinc/02/22/78/848022278.db2.gz HHXATMCWTDRAHL-KTKRTIGZSA-N 1 2 397.906 3.656 10 0 GHAELO CC(C)CCOc1ccccc1CNC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000101615669 851755026 /nfs/dbraw/zinc/75/50/26/851755026.db2.gz GQHGBROREZKAGK-UHFFFAOYSA-N 1 2 396.535 3.975 10 0 GHAELO O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177795440 882826163 /nfs/dbraw/zinc/82/61/63/882826163.db2.gz RIRPPSSIBWKBDL-OAHLLOKOSA-N 1 2 390.274 3.680 10 0 GHAELO O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177804130 882828061 /nfs/dbraw/zinc/82/80/61/882828061.db2.gz FAIPLUIOYLHPKV-ZDUSSCGKSA-N 1 2 392.937 3.955 10 0 GHAELO O=C(Nc1cccc(COCC2CC2)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184093520 883317035 /nfs/dbraw/zinc/31/70/35/883317035.db2.gz DOZJLGTUJAQQEY-UHFFFAOYSA-N 1 2 380.492 3.752 10 0 GHAELO CC(C)[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1nc2ccccc2[nH]1 ZINC000184250161 883339944 /nfs/dbraw/zinc/33/99/44/883339944.db2.gz IVJJJVAUBVQWBE-FQEVSTJZSA-N 1 2 392.507 3.577 10 0 GHAELO Cc1nc(Cc2ccccc2)sc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186434237 883644680 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COc1cccc([C@@H]2c3cc4c(cc3O[C@@H]([NH+]3CCCC3)[C@H]2C)OCO4)c1O ZINC000138039804 856475945 /nfs/dbraw/zinc/47/59/45/856475945.db2.gz HRGWMGTYIRQYMO-VYALMSHHSA-N 1 2 383.444 3.712 10 0 GHAELO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2)c1 ZINC000173778671 860443142 /nfs/dbraw/zinc/44/31/42/860443142.db2.gz SANNBONQPLVIPO-LJQANCHMSA-N 1 2 381.476 3.726 10 0 GHAELO CC(C)(C)c1nc2ccc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2s1 ZINC000173906049 860444334 /nfs/dbraw/zinc/44/43/34/860444334.db2.gz JOPGMTBVTCCODL-HNNXBMFYSA-N 1 2 388.537 3.532 10 0 GHAELO Cc1sc2nc([C@@H](C)[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034812 860965389 /nfs/dbraw/zinc/96/53/89/860965389.db2.gz MOBZLPPJTDEJIL-ZWNOBZJWSA-N 1 2 385.493 3.825 10 0 GHAELO Cc1sc2nc([C@@H](C)[N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034812 860965403 /nfs/dbraw/zinc/96/54/03/860965403.db2.gz MOBZLPPJTDEJIL-ZWNOBZJWSA-N 1 2 385.493 3.825 10 0 GHAELO O=C(C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccnn1C1CCCC1 ZINC000102928864 865762413 /nfs/dbraw/zinc/76/24/13/865762413.db2.gz HGLOJOXAZHQAHW-KRWDZBQOSA-N 1 2 382.464 3.503 10 0 GHAELO O=C(C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2)Nc1ccnn1C1CCCC1 ZINC000102928864 865762417 /nfs/dbraw/zinc/76/24/17/865762417.db2.gz HGLOJOXAZHQAHW-KRWDZBQOSA-N 1 2 382.464 3.503 10 0 GHAELO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117895883 874231360 /nfs/dbraw/zinc/23/13/60/874231360.db2.gz KURMUCPQJVIIFR-QGZVFWFLSA-N 1 2 397.544 3.597 10 0 GHAELO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117895883 874231371 /nfs/dbraw/zinc/23/13/71/874231371.db2.gz KURMUCPQJVIIFR-QGZVFWFLSA-N 1 2 397.544 3.597 10 0 GHAELO O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000177750007 882823409 /nfs/dbraw/zinc/82/34/09/882823409.db2.gz MIBRVBNQHRBRCS-IWHGQQBYSA-N 1 2 392.434 3.914 10 0 GHAELO CC[C@@H](c1nnc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)s1)c1ccccc1 ZINC000180471971 883060833 /nfs/dbraw/zinc/06/08/33/883060833.db2.gz 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ZINC000249080788 891493992 /nfs/dbraw/zinc/49/39/92/891493992.db2.gz SMHZOCYIAMXTPV-WOJBJXKFSA-N 1 2 389.446 3.721 10 0 GHAELO O=C(NCCCCNc1cccc[nH+]1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000105226203 898202463 /nfs/dbraw/zinc/20/24/63/898202463.db2.gz ZCHHQEHTQXQRKH-UHFFFAOYSA-N 1 2 397.454 3.610 10 0 GHAELO COc1cc(/C=C2\CCCC(C)(C)[C@@]2(O)Cn2cc[nH+]c2)cc(OC)c1OC ZINC000020568385 570268566 /nfs/dbraw/zinc/26/85/66/570268566.db2.gz FNJIDFGLYIDTEK-JRVGGCGHSA-N 1 2 386.492 3.934 10 0 GHAELO O=C(c1ccccn1)N1CCC[C@@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259989 570761894 /nfs/dbraw/zinc/76/18/94/570761894.db2.gz KESWULVMOIHOFD-QHCPKHFHSA-N 1 2 389.503 3.744 10 0 GHAELO O=C(NC1CCN(c2cccc[nH+]2)CC1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000103306661 837300709 /nfs/dbraw/zinc/30/07/09/837300709.db2.gz DMFDBLSLRFJBQP-UHFFFAOYSA-N 1 2 386.446 3.703 10 0 GHAELO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO1 ZINC000333464043 845404354 /nfs/dbraw/zinc/40/43/54/845404354.db2.gz QBSPYWMTEHLEFG-BVSRCJTMSA-N 1 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/nfs/dbraw/zinc/58/97/92/883589792.db2.gz VNOVUGQTRHWKCI-UHFFFAOYSA-N 1 2 380.311 3.567 10 0 GHAELO COc1ccc([C@H]([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)c2nccn2C)cc1 ZINC000186406195 883641458 /nfs/dbraw/zinc/64/14/58/883641458.db2.gz QFEZWEHLFSKJTH-NRFANRHFSA-N 1 2 393.487 3.953 10 0 GHAELO O=C(c1csc(Cc2ccccc2F)n1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186418876 883642607 /nfs/dbraw/zinc/64/26/07/883642607.db2.gz XPTQGRBSRVLALQ-UHFFFAOYSA-N 1 2 396.491 3.621 10 0 GHAELO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000245699711 889277554 /nfs/dbraw/zinc/27/75/54/889277554.db2.gz MZXMGDDTZJRZJN-FXAWDEMLSA-N 1 2 395.532 3.526 10 0 GHAELO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1CC(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000245699711 889277571 /nfs/dbraw/zinc/27/75/71/889277571.db2.gz MZXMGDDTZJRZJN-FXAWDEMLSA-N 1 2 395.532 3.526 10 0 GHAELO CC(C)CCn1c2nnc(C[N@H+](C)Cc3ccccc3)n2c2ccccc2c1=O ZINC000058164507 205166186 /nfs/dbraw/zinc/16/61/86/205166186.db2.gz PAYAVDPLDZLEEE-UHFFFAOYSA-N 1 2 389.503 3.722 10 0 GHAELO CC(C)CCn1c2nnc(C[N@@H+](C)Cc3ccccc3)n2c2ccccc2c1=O ZINC000058164507 205166190 /nfs/dbraw/zinc/16/61/90/205166190.db2.gz PAYAVDPLDZLEEE-UHFFFAOYSA-N 1 2 389.503 3.722 10 0 GHAELO C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000158520245 835418880 /nfs/dbraw/zinc/41/88/80/835418880.db2.gz MNHVDWZSTQOHRS-YJBOKZPZSA-N 1 2 398.898 3.896 10 0 GHAELO CCCn1c(C)cc(C(=O)C[NH+]2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1C ZINC000103472609 863999019 /nfs/dbraw/zinc/99/90/19/863999019.db2.gz AKACPBNSOTWLNH-KRWDZBQOSA-N 1 2 375.557 3.570 10 0 GHAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(Cl)n(C)nc3-c3ccccc3)[C@H]2C1 ZINC000092097216 882281373 /nfs/dbraw/zinc/28/13/73/882281373.db2.gz LKHKBAKTTJZNAY-NJAFHUGGSA-N 1 2 375.900 3.509 10 0 GHAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(Cl)n(C)nc3-c3ccccc3)[C@H]2C1 ZINC000092097216 882281385 /nfs/dbraw/zinc/28/13/85/882281385.db2.gz LKHKBAKTTJZNAY-NJAFHUGGSA-N 1 2 375.900 3.509 10 0 GHAELO O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180288374 883072908 /nfs/dbraw/zinc/07/29/08/883072908.db2.gz SMTWNNFTTPEGFB-INIZCTEOSA-N 1 2 388.431 3.783 10 0 GHAELO O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184080491 883315091 /nfs/dbraw/zinc/31/50/91/883315091.db2.gz PBNSENUYUDVHSL-UHFFFAOYSA-N 1 2 380.370 3.566 10 0 GHAELO COc1ccc(OC(C)C)c(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000184103693 883319484 /nfs/dbraw/zinc/31/94/84/883319484.db2.gz PAROISAGNOBSAK-UHFFFAOYSA-N 1 2 384.480 3.622 10 0 GHAELO Cn1cc([C@H]([NH2+]Cc2cc(Cl)cc3c2OCOC3)c2ccc(F)cc2)cn1 ZINC000184599903 883360339 /nfs/dbraw/zinc/36/03/39/883360339.db2.gz DOPACRZASCEIMU-LJQANCHMSA-N 1 2 387.842 3.958 10 0 GHAELO O=C(Nc1ccc2c(c1)nc1n2CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000043440211 886861577 /nfs/dbraw/zinc/86/15/77/886861577.db2.gz DKFLIEJIWZLTBE-UHFFFAOYSA-N 1 2 390.491 3.512 10 0 GHAELO Cc1ccc(C[NH2+][C@H](c2cccs2)c2ncc[nH]2)c(-n2cc(Cl)cn2)n1 ZINC000195128298 888647806 /nfs/dbraw/zinc/64/78/06/888647806.db2.gz ZYLAISDFNSERJD-MRXNPFEDSA-N 1 2 384.896 3.893 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)NCc2nc(C3CC3)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245697991 889262282 /nfs/dbraw/zinc/26/22/82/889262282.db2.gz QFDFKOYMYUDLOH-MAUKXSAKSA-N 1 2 392.475 3.543 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)NCc2nc(C3CC3)cs2)[C@H]1c1ccc(F)c(F)c1 ZINC000245697991 889262298 /nfs/dbraw/zinc/26/22/98/889262298.db2.gz QFDFKOYMYUDLOH-MAUKXSAKSA-N 1 2 392.475 3.543 10 0 GHAELO FC(F)(F)c1ccccc1N1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000249155769 891500414 /nfs/dbraw/zinc/50/04/14/891500414.db2.gz WRADEVBHULIRHO-MAUKXSAKSA-N 1 2 387.409 3.781 10 0 GHAELO O=C(CN1CC[NH+](CCOc2ccccc2)CC1)c1csc2ccccc12 ZINC000090624564 206299124 /nfs/dbraw/zinc/29/91/24/206299124.db2.gz BLSSSDDUIFFGEJ-UHFFFAOYSA-N 1 2 380.513 3.781 10 0 GHAELO COc1ccc(NC(=O)CCC2CCN(c3cc(NC4CC4)[nH+]cn3)CC2)cc1 ZINC000065274118 570776215 /nfs/dbraw/zinc/77/62/15/570776215.db2.gz YRFAQCPAFZOTSA-UHFFFAOYSA-N 1 2 395.507 3.695 10 0 GHAELO COc1ccc(NC(=O)CCC2CCN(c3cc(NC4CC4)nc[nH+]3)CC2)cc1 ZINC000065274118 570776219 /nfs/dbraw/zinc/77/62/19/570776219.db2.gz YRFAQCPAFZOTSA-UHFFFAOYSA-N 1 2 395.507 3.695 10 0 GHAELO C[C@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000158520571 835418959 /nfs/dbraw/zinc/41/89/59/835418959.db2.gz MNHVDWZSTQOHRS-MAUKXSAKSA-N 1 2 398.898 3.896 10 0 GHAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)c1ccccc1Oc1ccccc1 ZINC000332759207 836560758 /nfs/dbraw/zinc/56/07/58/836560758.db2.gz OWRVSPPXDXQCGX-RBDMOPTHSA-N 1 2 395.503 3.654 10 0 GHAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)c1ccccc1Oc1ccccc1 ZINC000332759207 836560765 /nfs/dbraw/zinc/56/07/65/836560765.db2.gz OWRVSPPXDXQCGX-RBDMOPTHSA-N 1 2 395.503 3.654 10 0 GHAELO CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C12CCCC2 ZINC000153233039 842322064 /nfs/dbraw/zinc/32/20/64/842322064.db2.gz QDCMDWLRUPWXTA-RTBURBONSA-N 1 2 386.540 3.561 10 0 GHAELO O=C(C1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1)N1CCCCCC1 ZINC000155081678 849449699 /nfs/dbraw/zinc/44/96/99/849449699.db2.gz FOOHNUXZKHQTGF-UHFFFAOYSA-N 1 2 384.549 3.820 10 0 GHAELO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034807 860964717 /nfs/dbraw/zinc/96/47/17/860964717.db2.gz MOBZLPPJTDEJIL-GWCFXTLKSA-N 1 2 385.493 3.825 10 0 GHAELO Cc1sc2nc([C@H](C)[N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034807 860964724 /nfs/dbraw/zinc/96/47/24/860964724.db2.gz MOBZLPPJTDEJIL-GWCFXTLKSA-N 1 2 385.493 3.825 10 0 GHAELO O=C(c1cccs1)N1CCC[N@@H+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000171829650 882164446 /nfs/dbraw/zinc/16/44/46/882164446.db2.gz KPZYPDIWPGDOMI-MRXNPFEDSA-N 1 2 398.450 3.648 10 0 GHAELO O=C(c1cccs1)N1CCC[N@H+](C[C@@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000171829650 882164452 /nfs/dbraw/zinc/16/44/52/882164452.db2.gz KPZYPDIWPGDOMI-MRXNPFEDSA-N 1 2 398.450 3.648 10 0 GHAELO O=C(c1cccs1)N1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000093385821 882524301 /nfs/dbraw/zinc/52/43/01/882524301.db2.gz CCZXOEILUVFVMC-UHFFFAOYSA-N 1 2 384.480 3.625 10 0 GHAELO O=C(c1cccs1)N1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000093385821 882524315 /nfs/dbraw/zinc/52/43/15/882524315.db2.gz CCZXOEILUVFVMC-UHFFFAOYSA-N 1 2 384.480 3.625 10 0 GHAELO CC(C)n1c(N(C)C)nn(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000103457907 872013960 /nfs/dbraw/zinc/01/39/60/872013960.db2.gz VYBAYYUTMOIODV-QGZVFWFLSA-N 1 2 377.533 3.865 10 0 GHAELO CC(C)n1c(N(C)C)nn(C[N@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1=S ZINC000103457907 872013982 /nfs/dbraw/zinc/01/39/82/872013982.db2.gz VYBAYYUTMOIODV-QGZVFWFLSA-N 1 2 377.533 3.865 10 0 GHAELO Cc1cc(SC2CCCCC2)ccc1NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000150795696 872323366 /nfs/dbraw/zinc/32/33/66/872323366.db2.gz KFYKZCODCWZGEX-INIZCTEOSA-N 1 2 377.554 3.872 10 0 GHAELO Cc1cc(SC2CCCCC2)ccc1NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000150795696 872323375 /nfs/dbraw/zinc/32/33/75/872323375.db2.gz KFYKZCODCWZGEX-INIZCTEOSA-N 1 2 377.554 3.872 10 0 GHAELO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117896205 874230903 /nfs/dbraw/zinc/23/09/03/874230903.db2.gz OMQGOBYUCRJRBL-CQSZACIVSA-N 1 2 399.516 3.831 10 0 GHAELO COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117896205 874230917 /nfs/dbraw/zinc/23/09/17/874230917.db2.gz OMQGOBYUCRJRBL-CQSZACIVSA-N 1 2 399.516 3.831 10 0 GHAELO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178127310 882888118 /nfs/dbraw/zinc/88/81/18/882888118.db2.gz DFRHBQSVEADFAQ-PXAZEXFGSA-N 1 2 390.833 3.924 10 0 GHAELO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178127310 882888131 /nfs/dbraw/zinc/88/81/31/882888131.db2.gz DFRHBQSVEADFAQ-PXAZEXFGSA-N 1 2 390.833 3.924 10 0 GHAELO C[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000253556572 891882135 /nfs/dbraw/zinc/88/21/35/891882135.db2.gz JRUIFBOSBCKSIN-UKRRQHHQSA-N 1 2 395.488 3.937 10 0 GHAELO CC1CCN(c2ccc(-c3noc(C[N@@H+]4CCc5ccccc5C4)n3)cn2)CC1 ZINC000065216141 136160256 /nfs/dbraw/zinc/16/02/56/136160256.db2.gz XVYHYFZDZHSRRE-UHFFFAOYSA-N 1 2 389.503 3.926 10 0 GHAELO CC1CCN(c2ccc(-c3noc(C[N@H+]4CCc5ccccc5C4)n3)cn2)CC1 ZINC000065216141 136160257 /nfs/dbraw/zinc/16/02/57/136160257.db2.gz XVYHYFZDZHSRRE-UHFFFAOYSA-N 1 2 389.503 3.926 10 0 GHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1nc3sc4c(c3c(N)n1)CCCC4)C2 ZINC000106861047 841123984 /nfs/dbraw/zinc/12/39/84/841123984.db2.gz LCHCFEBYFWCAAX-UHFFFAOYSA-N 1 2 396.564 3.568 10 0 GHAELO Cc1cc(N2CCn3c(nnc3C3CC3)C2)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000329608690 861759770 /nfs/dbraw/zinc/75/97/70/861759770.db2.gz BRLIWHBFKQVLIO-UHFFFAOYSA-N 1 2 389.381 3.931 10 0 GHAELO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@@]4(O)CCCC[C@H]4C3)cc2)cc1 ZINC000246771569 851198464 /nfs/dbraw/zinc/19/84/64/851198464.db2.gz ICHVLWWWPWWMGV-REWPJTCUSA-N 1 2 399.556 3.955 10 0 GHAELO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@@]4(O)CCCC[C@H]4C3)cc2)cc1 ZINC000246771569 851198470 /nfs/dbraw/zinc/19/84/70/851198470.db2.gz ICHVLWWWPWWMGV-REWPJTCUSA-N 1 2 399.556 3.955 10 0 GHAELO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)s1 ZINC000328666740 854497005 /nfs/dbraw/zinc/49/70/05/854497005.db2.gz CZZKNSFXHLKWHK-SWLSCSKDSA-N 1 2 379.913 3.599 10 0 GHAELO CN(C)c1nc(-c2ccccc2)c(C[N@@H+]2CCO[C@H](c3nccs3)C2)s1 ZINC000092831895 882441222 /nfs/dbraw/zinc/44/12/22/882441222.db2.gz HGIJWYMACXBWSD-HNNXBMFYSA-N 1 2 386.546 3.906 10 0 GHAELO CN(C)c1nc(-c2ccccc2)c(C[N@H+]2CCO[C@H](c3nccs3)C2)s1 ZINC000092831895 882441225 /nfs/dbraw/zinc/44/12/25/882441225.db2.gz HGIJWYMACXBWSD-HNNXBMFYSA-N 1 2 386.546 3.906 10 0 GHAELO Fc1cccc(C[C@H]2CCC[N@@H+]2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000103264063 871559076 /nfs/dbraw/zinc/55/90/76/871559076.db2.gz KLGYWMVEZFRWDB-HXUWFJFHSA-N 1 2 397.523 3.855 10 0 GHAELO Fc1cccc(C[C@H]2CCC[N@H+]2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000103264063 871559088 /nfs/dbraw/zinc/55/90/88/871559088.db2.gz KLGYWMVEZFRWDB-HXUWFJFHSA-N 1 2 397.523 3.855 10 0 GHAELO Cc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1OC(F)F ZINC000184108236 883319676 /nfs/dbraw/zinc/31/96/76/883319676.db2.gz ZCJSMKIYTAMAFW-UHFFFAOYSA-N 1 2 376.407 3.736 10 0 GHAELO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000030634611 886256882 /nfs/dbraw/zinc/25/68/82/886256882.db2.gz FDIJLPJCHLSOEA-INIZCTEOSA-N 1 2 393.487 3.770 10 0 GHAELO COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000030634611 886256902 /nfs/dbraw/zinc/25/69/02/886256902.db2.gz FDIJLPJCHLSOEA-INIZCTEOSA-N 1 2 393.487 3.770 10 0 GHAELO Cc1nc(CCCC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000245673290 889201618 /nfs/dbraw/zinc/20/16/18/889201618.db2.gz KQNFHXNWJUWIDM-HKUYNNGSSA-N 1 2 379.476 3.614 10 0 GHAELO Cc1nc(CCCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000245673290 889201635 /nfs/dbraw/zinc/20/16/35/889201635.db2.gz KQNFHXNWJUWIDM-HKUYNNGSSA-N 1 2 379.476 3.614 10 0 GHAELO Cn1c[nH+]cc1CNC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000370672204 924249001 /nfs/dbraw/zinc/24/90/01/924249001.db2.gz CEYVBTJBEKIQIH-UHFFFAOYSA-N 1 2 389.912 3.772 10 0 GHAELO C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532004 977168705 /nfs/dbraw/zinc/16/87/05/977168705.db2.gz RVAMSOZMCYQEJG-NVXWUHKLSA-N 1 2 385.533 3.794 10 0 GHAELO C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532004 977168707 /nfs/dbraw/zinc/16/87/07/977168707.db2.gz RVAMSOZMCYQEJG-NVXWUHKLSA-N 1 2 385.533 3.794 10 0 GHAELO Clc1cccc(Cl)c1CN(CC[NH+]1CCOCC1)Cc1cccnc1 ZINC000022931388 207265982 /nfs/dbraw/zinc/26/59/82/207265982.db2.gz LOGSZBLUZGGPIL-UHFFFAOYSA-N 1 2 380.319 3.723 10 0 GHAELO Cc1nc(N2CCN(C(=O)CC(C)(C)C)CC2)c(Cc2ccccc2)c(C)[nH+]1 ZINC000033726815 570406194 /nfs/dbraw/zinc/40/61/94/570406194.db2.gz AXYKCGQVOJCKDA-UHFFFAOYSA-N 1 2 380.536 3.769 10 0 GHAELO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275295074 836606839 /nfs/dbraw/zinc/60/68/39/836606839.db2.gz BEJQLAUUWHJPNP-ZVZYQTTQSA-N 1 2 386.496 3.555 10 0 GHAELO C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000246566368 842051615 /nfs/dbraw/zinc/05/16/15/842051615.db2.gz LUMAQJNZZBIMIZ-KCUHQSDYSA-N 1 2 380.492 3.580 10 0 GHAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)[nH]1 ZINC000162618607 843277563 /nfs/dbraw/zinc/27/75/63/843277563.db2.gz ZFOHCYWBSJCRAK-YCRPNKLZSA-N 1 2 375.476 3.680 10 0 GHAELO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000247980213 853268106 /nfs/dbraw/zinc/26/81/06/853268106.db2.gz IFWIFNKLASSBMO-YZVOILCLSA-N 1 2 395.341 3.712 10 0 GHAELO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000247980213 853268110 /nfs/dbraw/zinc/26/81/10/853268110.db2.gz IFWIFNKLASSBMO-YZVOILCLSA-N 1 2 395.341 3.712 10 0 GHAELO C[C@@H]1CCCN(c2cc(NCC3CCN(C(=O)c4ccccc4)CC3)[nH+]cn2)C1 ZINC000150926166 866283335 /nfs/dbraw/zinc/28/33/35/866283335.db2.gz TWFDFYLJAIBQHW-GOSISDBHSA-N 1 2 393.535 3.677 10 0 GHAELO C[C@@H]1CCCN(c2cc(NCC3CCN(C(=O)c4ccccc4)CC3)nc[nH+]2)C1 ZINC000150926166 866283346 /nfs/dbraw/zinc/28/33/46/866283346.db2.gz TWFDFYLJAIBQHW-GOSISDBHSA-N 1 2 393.535 3.677 10 0 GHAELO C[C@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173456907 882362902 /nfs/dbraw/zinc/36/29/02/882362902.db2.gz IPILUWJHGBYWKR-DOTOQJQBSA-N 1 2 381.505 3.979 10 0 GHAELO C[C@@H]1C[C@@H](N[C@H]2CCS(=O)(=O)c3ccccc32)CC[N@@H+]1Cc1ccccc1 ZINC000248553619 870487272 /nfs/dbraw/zinc/48/72/72/870487272.db2.gz JOILUNVVQQYQND-LMNJBCLMSA-N 1 2 384.545 3.548 10 0 GHAELO C[C@@H]1C[C@@H](N[C@H]2CCS(=O)(=O)c3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000248553619 870487284 /nfs/dbraw/zinc/48/72/84/870487284.db2.gz JOILUNVVQQYQND-LMNJBCLMSA-N 1 2 384.545 3.548 10 0 GHAELO CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184229746 883337905 /nfs/dbraw/zinc/33/79/05/883337905.db2.gz COXQKGMDNKZZPM-UHFFFAOYSA-N 1 2 396.491 3.781 10 0 GHAELO O=C(c1csc(Cc2cccc(F)c2)n1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186438537 883646646 /nfs/dbraw/zinc/64/66/46/883646646.db2.gz IQBYKIMZJQNGHY-UHFFFAOYSA-N 1 2 396.491 3.621 10 0 GHAELO C[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1cccc(OC(F)F)c1 ZINC000186347865 883651066 /nfs/dbraw/zinc/65/10/66/883651066.db2.gz DXYZCIVWELYKOP-HNNXBMFYSA-N 1 2 390.434 3.666 10 0 GHAELO CN(C)c1noc(C2CC[NH+](Cc3csc(-c4ccsc4)n3)CC2)n1 ZINC000190032973 884045173 /nfs/dbraw/zinc/04/51/73/884045173.db2.gz FTEBOQROQDYCAO-UHFFFAOYSA-N 1 2 375.523 3.700 10 0 GHAELO COc1ccc(-c2noc(C[NH+]3CCC(Oc4ccccc4)CC3)n2)c(OC)c1 ZINC000125824331 886903255 /nfs/dbraw/zinc/90/32/55/886903255.db2.gz DEECAAJIJXRYIT-UHFFFAOYSA-N 1 2 395.459 3.797 10 0 GHAELO COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000126454904 886969703 /nfs/dbraw/zinc/96/97/03/886969703.db2.gz IEKKSDHWFASCFO-CXFYGJIZSA-N 1 2 391.418 3.616 10 0 GHAELO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000195432263 888663340 /nfs/dbraw/zinc/66/33/40/888663340.db2.gz WFGIFSTXXFHYRZ-FUHIMQAGSA-N 1 2 379.504 3.749 10 0 GHAELO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000195432263 888663348 /nfs/dbraw/zinc/66/33/48/888663348.db2.gz WFGIFSTXXFHYRZ-FUHIMQAGSA-N 1 2 379.504 3.749 10 0 GHAELO C[N@@H+]1CC[C@@H](NC(=O)Cc2cnc3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249138691 891498490 /nfs/dbraw/zinc/49/84/90/891498490.db2.gz PFMMLBPRQYZAFE-IFMALSPDSA-N 1 2 381.426 3.617 10 0 GHAELO C[N@H+]1CC[C@@H](NC(=O)Cc2cnc3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 ZINC000249138691 891498492 /nfs/dbraw/zinc/49/84/92/891498492.db2.gz PFMMLBPRQYZAFE-IFMALSPDSA-N 1 2 381.426 3.617 10 0 GHAELO FC(F)(F)c1ccccc1N1CC[C@@H]([NH2+][C@@H](c2ncc[nH]2)c2cccnc2)C1 ZINC000249155767 891500266 /nfs/dbraw/zinc/50/02/66/891500266.db2.gz WRADEVBHULIRHO-CRAIPNDOSA-N 1 2 387.409 3.781 10 0 GHAELO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1cnc2ccccc2c1 ZINC000069593488 136165270 /nfs/dbraw/zinc/16/52/70/136165270.db2.gz JEDKRTGKWVYGRV-UHFFFAOYSA-N 1 2 380.879 3.649 10 0 GHAELO NC(=O)c1ccc([C@H]2CCC[N@@H+]2Cc2coc3ccc(Cl)cc3c2=O)s1 ZINC000023192718 570946622 /nfs/dbraw/zinc/94/66/22/570946622.db2.gz NFTVWSVLBGXNQS-CQSZACIVSA-N 1 2 388.876 3.944 10 0 GHAELO NC(=O)c1ccc([C@H]2CCC[N@H+]2Cc2coc3ccc(Cl)cc3c2=O)s1 ZINC000023192718 570946627 /nfs/dbraw/zinc/94/66/27/570946627.db2.gz NFTVWSVLBGXNQS-CQSZACIVSA-N 1 2 388.876 3.944 10 0 GHAELO Cc1csc([C@@H]2CCC[N@H+](CC(=O)Nc3nc4c(s3)CCCC4)C2)n1 ZINC000156982719 834664699 /nfs/dbraw/zinc/66/46/99/834664699.db2.gz ZJZGMPHLDSJPGQ-CYBMUJFWSA-N 1 2 376.551 3.605 10 0 GHAELO Cc1csc([C@@H]2CCC[N@@H+](CC(=O)Nc3nc4c(s3)CCCC4)C2)n1 ZINC000156982719 834664703 /nfs/dbraw/zinc/66/47/03/834664703.db2.gz ZJZGMPHLDSJPGQ-CYBMUJFWSA-N 1 2 376.551 3.605 10 0 GHAELO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275295073 836606711 /nfs/dbraw/zinc/60/67/11/836606711.db2.gz BEJQLAUUWHJPNP-UWWQBHOKSA-N 1 2 386.496 3.555 10 0 GHAELO CC(C)c1[nH+]c2c(n1C)CCN(Cc1csc(-c3ccc4c(c3)OCO4)n1)C2 ZINC000106373029 840931018 /nfs/dbraw/zinc/93/10/18/840931018.db2.gz ZAYCFDCSLRWDPC-UHFFFAOYSA-N 1 2 396.516 3.954 10 0 GHAELO Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1 ZINC000173778976 860443494 /nfs/dbraw/zinc/44/34/94/860443494.db2.gz ZEGDNPKCLHXLPO-SFHVURJKSA-N 1 2 381.476 3.726 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245643033 867744983 /nfs/dbraw/zinc/74/49/83/867744983.db2.gz BNJBVAWSMZRBBJ-SNRMKQJTSA-N 1 2 393.478 3.501 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCOC3(CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000245643033 867744994 /nfs/dbraw/zinc/74/49/94/867744994.db2.gz BNJBVAWSMZRBBJ-SNRMKQJTSA-N 1 2 393.478 3.501 10 0 GHAELO COc1cc(NC(=O)C[N@H+]2CC=C(c3cccs3)CC2)cc(OC)c1OC ZINC000117896673 874230641 /nfs/dbraw/zinc/23/06/41/874230641.db2.gz ULLVUSIRZDNLFJ-UHFFFAOYSA-N 1 2 388.489 3.502 10 0 GHAELO COc1cc(NC(=O)C[N@@H+]2CC=C(c3cccs3)CC2)cc(OC)c1OC ZINC000117896673 874230650 /nfs/dbraw/zinc/23/06/50/874230650.db2.gz ULLVUSIRZDNLFJ-UHFFFAOYSA-N 1 2 388.489 3.502 10 0 GHAELO COc1cc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OCc1c(C)noc1C ZINC000121283535 876722475 /nfs/dbraw/zinc/72/24/75/876722475.db2.gz GYOAKKKKCNXIGC-SFHVURJKSA-N 1 2 396.491 3.982 10 0 GHAELO COc1cc(C[N@H+]2CCC[C@H](c3ccn[nH]3)C2)ccc1OCc1c(C)noc1C ZINC000121283535 876722483 /nfs/dbraw/zinc/72/24/83/876722483.db2.gz GYOAKKKKCNXIGC-SFHVURJKSA-N 1 2 396.491 3.982 10 0 GHAELO Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)ccc1NC(=O)c1ccco1 ZINC000180448847 883060180 /nfs/dbraw/zinc/06/01/80/883060180.db2.gz DZMXPUNCWZAQHQ-QGZVFWFLSA-N 1 2 393.447 3.733 10 0 GHAELO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122654895 879241012 /nfs/dbraw/zinc/24/10/12/879241012.db2.gz DEUIPWQVZGEXLC-SFTDATJTSA-N 1 2 379.435 3.740 10 0 GHAELO O=C(N1CCCN(c2cccc[nH+]2)CC1)C1(c2ccccc2Cl)CCOCC1 ZINC000186512217 883660023 /nfs/dbraw/zinc/66/00/23/883660023.db2.gz JYIOLFPZUXMRAP-UHFFFAOYSA-N 1 2 399.922 3.522 10 0 GHAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152875 884049589 /nfs/dbraw/zinc/04/95/89/884049589.db2.gz CCRLKUGASUYYCJ-WIYYLYMNSA-N 1 2 389.459 3.679 10 0 GHAELO CO[C@@H]1C[C@H](c2nc(C)no2)[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152875 884049607 /nfs/dbraw/zinc/04/96/07/884049607.db2.gz CCRLKUGASUYYCJ-WIYYLYMNSA-N 1 2 389.459 3.679 10 0 GHAELO O=C(/C=C/c1ccc(OCc2cccnc2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000101863067 885959244 /nfs/dbraw/zinc/95/92/44/885959244.db2.gz DHVANELSGHAUQX-VMPITWQZSA-N 1 2 388.471 3.734 10 0 GHAELO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3nc([C@H](C)OCC(C)C)no3)C2)c1 ZINC000246347077 891048569 /nfs/dbraw/zinc/04/85/69/891048569.db2.gz FRQPFMHMANOINA-JKSUJKDBSA-N 1 2 389.496 3.810 10 0 GHAELO COc1cc(OC)cc([C@@H]2CC[N@@H+](Cc3nc([C@H](C)OCC(C)C)no3)C2)c1 ZINC000246347077 891048582 /nfs/dbraw/zinc/04/85/82/891048582.db2.gz FRQPFMHMANOINA-JKSUJKDBSA-N 1 2 389.496 3.810 10 0 GHAELO C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1nccs1 ZINC000248576654 891464104 /nfs/dbraw/zinc/46/41/04/891464104.db2.gz DRUDDBQXBJGJRO-OLMNPRSZSA-N 1 2 381.505 3.671 10 0 GHAELO C[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C[C@H]1n1cc[nH+]c1 ZINC000253556571 891881869 /nfs/dbraw/zinc/88/18/69/891881869.db2.gz JRUIFBOSBCKSIN-DZGCQCFKSA-N 1 2 395.488 3.937 10 0 GHAELO O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104288913 837395185 /nfs/dbraw/zinc/39/51/85/837395185.db2.gz KHLXIDYRYIXMDG-LJQANCHMSA-N 1 2 393.422 3.646 10 0 GHAELO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCC[C@H](c2nccs2)C1 ZINC000159213325 835763992 /nfs/dbraw/zinc/76/39/92/835763992.db2.gz FKZXARBVZMLVEP-INIZCTEOSA-N 1 2 397.504 3.830 10 0 GHAELO Clc1ccc(-c2cc(-c3nc([C@@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)n[nH]2)cc1 ZINC000329748252 835860551 /nfs/dbraw/zinc/86/05/51/835860551.db2.gz ZWBBPDFUJPVLNL-PBHICJAKSA-N 1 2 385.855 3.706 10 0 GHAELO Clc1ccc(-c2cc(-c3nc([C@@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)n[nH]2)cc1 ZINC000329748252 835860555 /nfs/dbraw/zinc/86/05/55/835860555.db2.gz ZWBBPDFUJPVLNL-PBHICJAKSA-N 1 2 385.855 3.706 10 0 GHAELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)[nH]1 ZINC000162491216 843264755 /nfs/dbraw/zinc/26/47/55/843264755.db2.gz VYIUWAHYXGEYGM-JLTOFOAXSA-N 1 2 390.491 3.837 10 0 GHAELO C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(F)cc1Br ZINC000105510066 859822663 /nfs/dbraw/zinc/82/26/63/859822663.db2.gz QXJHRJLEPLXICA-LLVKDONJSA-N 1 2 378.245 3.779 10 0 GHAELO O=C(Nc1ccc(OCC2CCCCC2)cc1)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000173899149 860444267 /nfs/dbraw/zinc/44/42/67/860444267.db2.gz GJCXIPPPWSDKGU-FQEVSTJZSA-N 1 2 387.524 3.584 10 0 GHAELO CCC(=O)Nc1cccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c1 ZINC000104121352 864155802 /nfs/dbraw/zinc/15/58/02/864155802.db2.gz MWEZIIAHVMBKAX-INIZCTEOSA-N 1 2 383.467 3.693 10 0 GHAELO Cc1nnc([C@H](C)[N@@H+]2CCCN(c3ccc(-c4ccccc4)nn3)CC2)s1 ZINC000367267448 869257305 /nfs/dbraw/zinc/25/73/05/869257305.db2.gz PUILYEPXNYQCGS-HNNXBMFYSA-N 1 2 380.521 3.577 10 0 GHAELO Cc1nnc([C@H](C)[N@H+]2CCCN(c3ccc(-c4ccccc4)nn3)CC2)s1 ZINC000367267448 869257311 /nfs/dbraw/zinc/25/73/11/869257311.db2.gz PUILYEPXNYQCGS-HNNXBMFYSA-N 1 2 380.521 3.577 10 0 GHAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000119552884 875314993 /nfs/dbraw/zinc/31/49/93/875314993.db2.gz QTVXBKOUOFXBCY-KRWDZBQOSA-N 1 2 380.517 3.562 10 0 GHAELO Cc1ccccc1Cc1nnc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)o1 ZINC000121375339 876957226 /nfs/dbraw/zinc/95/72/26/876957226.db2.gz PNZQQPURUPAXQD-UHFFFAOYSA-N 1 2 396.535 3.583 10 0 GHAELO Cc1c([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cnn1-c1ccccn1 ZINC000181314972 883136082 /nfs/dbraw/zinc/13/60/82/883136082.db2.gz PPHRMESEMRVODL-AWEZNQCLSA-N 1 2 376.489 3.945 10 0 GHAELO CCCc1c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cnn1-c1cccc(F)c1 ZINC000184526259 883352226 /nfs/dbraw/zinc/35/22/26/883352226.db2.gz BXSZSKFQYCVITH-GOSISDBHSA-N 1 2 396.470 3.857 10 0 GHAELO COc1ccc(-c2ccncc2)cc1CNc1ccc(N2CCOCC2)[nH+]c1 ZINC000187597701 883802630 /nfs/dbraw/zinc/80/26/30/883802630.db2.gz MSIXKIVEPQMEIX-UHFFFAOYSA-N 1 2 376.460 3.601 10 0 GHAELO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc([C@@H](C)OC)c2)CC1 ZINC000102795715 884451176 /nfs/dbraw/zinc/45/11/76/884451176.db2.gz WZLBQZVUCLVQGP-QGZVFWFLSA-N 1 2 383.492 3.752 10 0 GHAELO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2C[C@@H](O)c2ccccc2Cl)n1 ZINC000248814661 891471528 /nfs/dbraw/zinc/47/15/28/891471528.db2.gz UBXPEEHULOWTLI-JKSUJKDBSA-N 1 2 380.897 3.844 10 0 GHAELO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2C[C@@H](O)c2ccccc2Cl)n1 ZINC000248814661 891471536 /nfs/dbraw/zinc/47/15/36/891471536.db2.gz UBXPEEHULOWTLI-JKSUJKDBSA-N 1 2 380.897 3.844 10 0 GHAELO O=C(Nc1cccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000157327479 834868693 /nfs/dbraw/zinc/86/86/93/834868693.db2.gz WIJNTLZLCUZYNU-HXUWFJFHSA-N 1 2 389.459 3.832 10 0 GHAELO COc1ccc(C(=O)C2CCN(c3cc(N4CCC[C@H](C)C4)nc[nH+]3)CC2)cc1 ZINC000301242490 841155024 /nfs/dbraw/zinc/15/50/24/841155024.db2.gz MZTHPPCRNWLLDR-KRWDZBQOSA-N 1 2 394.519 3.821 10 0 GHAELO COc1ccc(C(=O)C2CCN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CC2)cc1 ZINC000301242490 841155032 /nfs/dbraw/zinc/15/50/32/841155032.db2.gz MZTHPPCRNWLLDR-KRWDZBQOSA-N 1 2 394.519 3.821 10 0 GHAELO CO[C@H](C)c1nc(C)c(C(=O)N2CC[NH2+][C@@H](c3cccc(Cl)c3)C2)s1 ZINC000328666739 854496978 /nfs/dbraw/zinc/49/69/78/854496978.db2.gz CZZKNSFXHLKWHK-IUODEOHRSA-N 1 2 379.913 3.599 10 0 GHAELO CC1=NN(c2ccc(C(=O)N3CC[NH+]([C@@H](C)c4cccc(F)c4)CC3)cc2)CC1 ZINC000104121135 856313007 /nfs/dbraw/zinc/31/30/07/856313007.db2.gz JIRLFPRKBJPDSE-SFHVURJKSA-N 1 2 394.494 3.931 10 0 GHAELO Cn1c[nH+]cc1[C@@H]1C[C@H](NC(=O)Nc2nc3c(s2)CCCCCC3)CCO1 ZINC000282189152 857200445 /nfs/dbraw/zinc/20/04/45/857200445.db2.gz RVUSQSPYUGSIIL-CJNGLKHVSA-N 1 2 389.525 3.577 10 0 GHAELO Cc1cc(C(=O)C[NH+]2CCC(C(=O)N(C)C)CC2)c(C)n1CCC1=CCCCC1 ZINC000102683369 860838153 /nfs/dbraw/zinc/83/81/53/860838153.db2.gz NLXOKFNFOBHBFH-UHFFFAOYSA-N 1 2 399.579 3.978 10 0 GHAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000122463817 878925490 /nfs/dbraw/zinc/92/54/90/878925490.db2.gz BHKFXQSRNRZRDU-DLBZAZTESA-N 1 2 394.441 3.558 10 0 GHAELO CCOc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1Br ZINC000189489862 883947587 /nfs/dbraw/zinc/94/75/87/883947587.db2.gz QBPMMZRBNWKKJL-AWEZNQCLSA-N 1 2 393.285 3.741 10 0 GHAELO CCOc1ccc(C[NH+]2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2)cc1 ZINC000105755580 884853745 /nfs/dbraw/zinc/85/37/45/884853745.db2.gz VIUAYFYUHUUWQK-UHFFFAOYSA-N 1 2 382.479 3.600 10 0 GHAELO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1Br ZINC000151687832 885736712 /nfs/dbraw/zinc/73/67/12/885736712.db2.gz CVBMCHZCKJUIRF-JKIFEVAISA-N 1 2 391.313 3.999 10 0 GHAELO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106150623 886027418 /nfs/dbraw/zinc/02/74/18/886027418.db2.gz AEENEWPQCZVUCV-UHFFFAOYSA-N 1 2 399.520 3.680 10 0 GHAELO Cc1oc(-c2cccs2)nc1C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1 ZINC000106150623 886027433 /nfs/dbraw/zinc/02/74/33/886027433.db2.gz AEENEWPQCZVUCV-UHFFFAOYSA-N 1 2 399.520 3.680 10 0 GHAELO CC(C)(C)OC(=O)N[C@H](CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000119019818 886422450 /nfs/dbraw/zinc/42/24/50/886422450.db2.gz XVNSJRHBZHIUNR-RBUKOAKNSA-N 1 2 398.507 3.530 10 0 GHAELO C[C@H](CN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000248439299 891436272 /nfs/dbraw/zinc/43/62/72/891436272.db2.gz CLLMSFSUVZAWCC-DQYPLSBCSA-N 1 2 394.491 3.612 10 0 GHAELO C[C@H](CN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000248439299 891436281 /nfs/dbraw/zinc/43/62/81/891436281.db2.gz CLLMSFSUVZAWCC-DQYPLSBCSA-N 1 2 394.491 3.612 10 0 GHAELO c1ccc(CNc2ncc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000055386052 924040987 /nfs/dbraw/zinc/04/09/87/924040987.db2.gz FRCDJTZPPPSVJB-QFIPXVFZSA-N 1 2 389.503 3.665 10 0 GHAELO c1ccc(CNc2ncc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)cn2)cc1 ZINC000055386052 924040999 /nfs/dbraw/zinc/04/09/99/924040999.db2.gz FRCDJTZPPPSVJB-QFIPXVFZSA-N 1 2 389.503 3.665 10 0 GHAELO C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532016 977168618 /nfs/dbraw/zinc/16/86/18/977168618.db2.gz RVAMSOZMCYQEJG-WBVHZDCISA-N 1 2 385.533 3.794 10 0 GHAELO C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532016 977168626 /nfs/dbraw/zinc/16/86/26/977168626.db2.gz RVAMSOZMCYQEJG-WBVHZDCISA-N 1 2 385.533 3.794 10 0 GHAELO Cc1sc2nc(C[NH2+]Cc3ccc(Br)s3)[nH]c(=O)c2c1C ZINC000038018623 207256212 /nfs/dbraw/zinc/25/62/12/207256212.db2.gz PUSIXLRNJHCDME-UHFFFAOYSA-N 1 2 384.324 3.715 10 0 GHAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cnc(Cl)nc2Cl)C1 ZINC000095087602 208155841 /nfs/dbraw/zinc/15/58/41/208155841.db2.gz LJXMLDLWRISVQZ-NSHDSACASA-N 1 2 375.300 3.520 10 0 GHAELO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cnc(Cl)nc2Cl)C1 ZINC000095087602 208155849 /nfs/dbraw/zinc/15/58/49/208155849.db2.gz LJXMLDLWRISVQZ-NSHDSACASA-N 1 2 375.300 3.520 10 0 GHAELO Cc1ccc(-n2cc(C3=CC[N@H+](CC(=O)Nc4ccc(C)cn4)CC3)cn2)cc1 ZINC000035403839 570351425 /nfs/dbraw/zinc/35/14/25/570351425.db2.gz BVHNAVKBVFRGPB-UHFFFAOYSA-N 1 2 387.487 3.612 10 0 GHAELO Cc1ccc(-n2cc(C3=CC[N@@H+](CC(=O)Nc4ccc(C)cn4)CC3)cn2)cc1 ZINC000035403839 570351427 /nfs/dbraw/zinc/35/14/27/570351427.db2.gz BVHNAVKBVFRGPB-UHFFFAOYSA-N 1 2 387.487 3.612 10 0 GHAELO CCC(=O)N1CC[NH+]([C@@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1 ZINC000036311750 570611626 /nfs/dbraw/zinc/61/16/26/570611626.db2.gz NTBDTNSICNPMOC-JOCHJYFZSA-N 1 2 385.552 3.862 10 0 GHAELO COc1cccc([C@@H]2c3cc4c(cc3O[C@@H]([NH+]3CCCC3)[C@@H]2C)OCO4)c1O ZINC000169352081 570781070 /nfs/dbraw/zinc/78/10/70/570781070.db2.gz HRGWMGTYIRQYMO-IIYZAJTGSA-N 1 2 383.444 3.712 10 0 GHAELO Cc1[nH]c2ccccc2c1C1CCN(c2cc(N3CCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000107098318 841182374 /nfs/dbraw/zinc/18/23/74/841182374.db2.gz QUTNIIWVVBVJPL-GOSISDBHSA-N 1 2 391.519 3.611 10 0 GHAELO Cc1[nH]c2ccccc2c1C1CCN(c2cc(N3CCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000107098318 841182380 /nfs/dbraw/zinc/18/23/80/841182380.db2.gz QUTNIIWVVBVJPL-GOSISDBHSA-N 1 2 391.519 3.611 10 0 GHAELO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)cc2)cc1 ZINC000328957388 854616047 /nfs/dbraw/zinc/61/60/47/854616047.db2.gz NYFMKZIBPAIWOE-RTWAWAEBSA-N 1 2 381.476 3.724 10 0 GHAELO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)cc2)cc1 ZINC000328957388 854616052 /nfs/dbraw/zinc/61/60/52/854616052.db2.gz NYFMKZIBPAIWOE-RTWAWAEBSA-N 1 2 381.476 3.724 10 0 GHAELO O=C(c1cccs1)N1CCC[N@@H+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000171829653 882164516 /nfs/dbraw/zinc/16/45/16/882164516.db2.gz KPZYPDIWPGDOMI-INIZCTEOSA-N 1 2 398.450 3.648 10 0 GHAELO O=C(c1cccs1)N1CCC[N@H+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000171829653 882164518 /nfs/dbraw/zinc/16/45/18/882164518.db2.gz KPZYPDIWPGDOMI-INIZCTEOSA-N 1 2 398.450 3.648 10 0 GHAELO C[C@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(C)Cc2cccs2)CC1 ZINC000105820198 884859285 /nfs/dbraw/zinc/85/92/85/884859285.db2.gz XLBNRPDNDUQUMN-MRXNPFEDSA-N 1 2 391.968 3.739 10 0 GHAELO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000104348728 886002506 /nfs/dbraw/zinc/00/25/06/886002506.db2.gz BHYSPMMFKUNCJF-GOSISDBHSA-N 1 2 375.432 3.712 10 0 GHAELO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000195174914 888651879 /nfs/dbraw/zinc/65/18/79/888651879.db2.gz HCRNLTCXKVEHED-UHFFFAOYSA-N 1 2 392.434 3.707 10 0 GHAELO Cc1cc(C)c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(Cl)n1 ZINC000248400744 891432604 /nfs/dbraw/zinc/43/26/04/891432604.db2.gz LEBVKCGLARUDLS-RDJZCZTQSA-N 1 2 379.838 3.805 10 0 GHAELO Cc1cc(C)c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(Cl)n1 ZINC000248400744 891432608 /nfs/dbraw/zinc/43/26/08/891432608.db2.gz LEBVKCGLARUDLS-RDJZCZTQSA-N 1 2 379.838 3.805 10 0 GHAELO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)[C@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000248890818 891480304 /nfs/dbraw/zinc/48/03/04/891480304.db2.gz WFGIFSTXXFHYRZ-QKLQHJQFSA-N 1 2 379.504 3.749 10 0 GHAELO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)[C@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000248890818 891480316 /nfs/dbraw/zinc/48/03/16/891480316.db2.gz WFGIFSTXXFHYRZ-QKLQHJQFSA-N 1 2 379.504 3.749 10 0 GHAELO Cc1nc([C@@H]2CCCN2C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cs1 ZINC000186223649 907892159 /nfs/dbraw/zinc/89/21/59/907892159.db2.gz RECWQIZMYXVVAL-SFHVURJKSA-N 1 2 385.537 3.884 10 0 GHAELO C[C@H](NC(=O)N[C@H]1CCO[C@H](c2c[nH+]cn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333010900 845519734 /nfs/dbraw/zinc/51/97/34/845519734.db2.gz RHCKBSYOFLRRNQ-CVDGIAQOSA-N 1 2 386.540 3.544 10 0 GHAELO CC(C)c1nc([C@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853921 862374599 /nfs/dbraw/zinc/37/45/99/862374599.db2.gz SHBPTZPOSZXWOF-YOEHRIQHSA-N 1 2 388.899 3.831 10 0 GHAELO CC(C)c1nc([C@H]2CCC[N@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853921 862374617 /nfs/dbraw/zinc/37/46/17/862374617.db2.gz SHBPTZPOSZXWOF-YOEHRIQHSA-N 1 2 388.899 3.831 10 0 GHAELO Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)c1 ZINC000173779033 860443403 /nfs/dbraw/zinc/44/34/03/860443403.db2.gz OWLKPODMLYKLRB-GOSISDBHSA-N 1 2 381.476 3.726 10 0 GHAELO O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC(Nc2ccccc2F)CC1 ZINC000173676253 882391519 /nfs/dbraw/zinc/39/15/19/882391519.db2.gz QGGWCNYBJHYTFZ-UHFFFAOYSA-N 1 2 397.498 3.607 10 0 GHAELO COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176340426 882681057 /nfs/dbraw/zinc/68/10/57/882681057.db2.gz UHMOKTPFKQEMTH-CQSZACIVSA-N 1 2 393.285 3.659 10 0 GHAELO CC(C)CC(=O)Nc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1 ZINC000184053268 883330808 /nfs/dbraw/zinc/33/08/08/883330808.db2.gz KPZYWAGRVOSGPF-UHFFFAOYSA-N 1 2 395.507 3.810 10 0 GHAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152858 884048859 /nfs/dbraw/zinc/04/88/59/884048859.db2.gz CCRLKUGASUYYCJ-NQIIRXRSSA-N 1 2 389.459 3.679 10 0 GHAELO CO[C@@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152858 884048879 /nfs/dbraw/zinc/04/88/79/884048879.db2.gz CCRLKUGASUYYCJ-NQIIRXRSSA-N 1 2 389.459 3.679 10 0 GHAELO O=C(NCCCCNc1cccc[nH+]1)NCc1cc(F)cc(Br)c1 ZINC000105171071 887765456 /nfs/dbraw/zinc/76/54/56/887765456.db2.gz MKJMVIFQUQJAPM-UHFFFAOYSA-N 1 2 395.276 3.675 10 0 GHAELO COCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245901401 889977146 /nfs/dbraw/zinc/97/71/46/889977146.db2.gz UENSTZARUJCIIW-RBUKOAKNSA-N 1 2 375.419 3.678 10 0 GHAELO COCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245901401 889977161 /nfs/dbraw/zinc/97/71/61/889977161.db2.gz UENSTZARUJCIIW-RBUKOAKNSA-N 1 2 375.419 3.678 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cs1 ZINC000246436591 891240913 /nfs/dbraw/zinc/24/09/13/891240913.db2.gz DBYGUOYAFMERRZ-JKSUJKDBSA-N 1 2 379.551 3.666 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cs1 ZINC000246436591 891240929 /nfs/dbraw/zinc/24/09/29/891240929.db2.gz DBYGUOYAFMERRZ-JKSUJKDBSA-N 1 2 379.551 3.666 10 0 GHAELO Cc1ccc(NC(=S)N(CC[NH+]2CCOCC2)C[C@H]2CC=CCC2)cc1C ZINC000017079164 207084128 /nfs/dbraw/zinc/08/41/28/207084128.db2.gz GPRZAYCDCKKGCL-FQEVSTJZSA-N 1 2 387.593 3.991 10 0 GHAELO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)nc1 ZINC000095087420 208154947 /nfs/dbraw/zinc/15/49/47/208154947.db2.gz IEAPXQRSRBNVQN-AWEZNQCLSA-N 1 2 384.318 3.723 10 0 GHAELO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Br)nc1 ZINC000095087420 208154954 /nfs/dbraw/zinc/15/49/54/208154954.db2.gz IEAPXQRSRBNVQN-AWEZNQCLSA-N 1 2 384.318 3.723 10 0 GHAELO CCCc1nc2sccc2c(N2CCN(C3=[NH+]CC(C)(C)S3)CC2)n1 ZINC000095080575 136177695 /nfs/dbraw/zinc/17/76/95/136177695.db2.gz SSSKRLNHZJRRDE-UHFFFAOYSA-N 1 2 375.567 3.647 10 0 GHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000106208389 840761265 /nfs/dbraw/zinc/76/12/65/840761265.db2.gz VPEQBNYYRZXMTP-DZGCQCFKSA-N 1 2 385.537 3.850 10 0 GHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000106208389 840761272 /nfs/dbraw/zinc/76/12/72/840761272.db2.gz VPEQBNYYRZXMTP-DZGCQCFKSA-N 1 2 385.537 3.850 10 0 GHAELO COc1cc(/C=C/C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000119665790 846198460 /nfs/dbraw/zinc/19/84/60/846198460.db2.gz JKQDMLJTMMAXNV-LHUXKHBRSA-N 1 2 397.519 3.710 10 0 GHAELO CC(=O)Nc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)ccc1C ZINC000104121101 856312568 /nfs/dbraw/zinc/31/25/68/856312568.db2.gz TWIDOIQZGDJTAB-INIZCTEOSA-N 1 2 383.467 3.612 10 0 GHAELO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000102941027 860912029 /nfs/dbraw/zinc/91/20/29/860912029.db2.gz MOMMMEURMKTWFP-LJQANCHMSA-N 1 2 390.443 3.648 10 0 GHAELO CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3c(Cl)n(C)nc3-c3ccccc3)[C@H]2C1 ZINC000092097221 882281624 /nfs/dbraw/zinc/28/16/24/882281624.db2.gz LKHKBAKTTJZNAY-BPQIPLTHSA-N 1 2 375.900 3.509 10 0 GHAELO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3c(Cl)n(C)nc3-c3ccccc3)[C@H]2C1 ZINC000092097221 882281631 /nfs/dbraw/zinc/28/16/31/882281631.db2.gz LKHKBAKTTJZNAY-BPQIPLTHSA-N 1 2 375.900 3.509 10 0 GHAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C1 ZINC000122464063 878924988 /nfs/dbraw/zinc/92/49/88/878924988.db2.gz BHKFXQSRNRZRDU-IAGOWNOFSA-N 1 2 394.441 3.558 10 0 GHAELO O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184060904 883332274 /nfs/dbraw/zinc/33/22/74/883332274.db2.gz COPVRSUZHSUDQW-UHFFFAOYSA-N 1 2 394.397 3.767 10 0 GHAELO C[C@@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000185778066 883583884 /nfs/dbraw/zinc/58/38/84/883583884.db2.gz YECYWIGUCHFFFS-HXOBKFHXSA-N 1 2 388.471 3.774 10 0 GHAELO Cc1csc(-c2cccc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)c2)n1 ZINC000186418937 883642835 /nfs/dbraw/zinc/64/28/35/883642835.db2.gz YQJUWXBBPNYIEW-UHFFFAOYSA-N 1 2 378.501 3.866 10 0 GHAELO C[C@H](c1nnc(-c2ccccc2)o1)[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000101921865 885959310 /nfs/dbraw/zinc/95/93/10/885959310.db2.gz YNINRXIFFZDQLW-KDOFPFPSSA-N 1 2 395.438 3.833 10 0 GHAELO C[C@H](c1nnc(-c2ccccc2)o1)[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000101921865 885959317 /nfs/dbraw/zinc/95/93/17/885959317.db2.gz YNINRXIFFZDQLW-KDOFPFPSSA-N 1 2 395.438 3.833 10 0 GHAELO Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H](c4nccs4)C3)cn2c1 ZINC000114630784 886318326 /nfs/dbraw/zinc/31/83/26/886318326.db2.gz JOQXPJKCXHGGQY-OAHLLOKOSA-N 1 2 386.546 3.739 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)c2ncccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000245592697 889033911 /nfs/dbraw/zinc/03/39/11/889033911.db2.gz HIIWDXBXHWBWJL-GOEBONIOSA-N 1 2 385.336 3.554 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)c2ncccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000245592697 889033927 /nfs/dbraw/zinc/03/39/27/889033927.db2.gz HIIWDXBXHWBWJL-GOEBONIOSA-N 1 2 385.336 3.554 10 0 GHAELO O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000247228687 891357849 /nfs/dbraw/zinc/35/78/49/891357849.db2.gz UAOURYMABHKVFS-SJLPKXTDSA-N 1 2 398.557 3.685 10 0 GHAELO O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000247228687 891357858 /nfs/dbraw/zinc/35/78/58/891357858.db2.gz UAOURYMABHKVFS-SJLPKXTDSA-N 1 2 398.557 3.685 10 0 GHAELO c1ccc(CNc2ncc(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)cn2)cc1 ZINC000055386057 924040645 /nfs/dbraw/zinc/04/06/45/924040645.db2.gz 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CCO[C@H]1C[C@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C12CCCC2 ZINC000153232924 842322136 /nfs/dbraw/zinc/32/21/36/842322136.db2.gz QDCMDWLRUPWXTA-OALUTQOASA-N 1 2 386.540 3.561 10 0 GHAELO CCC[N@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549127 851671064 /nfs/dbraw/zinc/67/10/64/851671064.db2.gz YOOMPPFJPGCNBZ-JKSUJKDBSA-N 1 2 399.457 3.527 10 0 GHAELO CCC[N@@H+](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549127 851671072 /nfs/dbraw/zinc/67/10/72/851671072.db2.gz YOOMPPFJPGCNBZ-JKSUJKDBSA-N 1 2 399.457 3.527 10 0 GHAELO O=C(NCCCCOCc1ccccc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000101999190 852080097 /nfs/dbraw/zinc/08/00/97/852080097.db2.gz ZMJCHVKPHOKWEQ-UHFFFAOYSA-N 1 2 396.466 3.808 10 0 GHAELO Cc1noc(CSc2ccccc2C(=O)NCCCCNc2cccc[nH+]2)n1 ZINC000104002674 864149755 /nfs/dbraw/zinc/14/97/55/864149755.db2.gz BTSXZXWJFKIMKZ-UHFFFAOYSA-N 1 2 397.504 3.687 10 0 GHAELO C[C@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173456880 882362979 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O=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1SCc1cccs1 ZINC000127273723 887046311 /nfs/dbraw/zinc/04/63/11/887046311.db2.gz YCTVXNDUYILGLV-INIZCTEOSA-N 1 2 388.558 3.633 10 0 GHAELO O=C(NC[C@H]1C[N@H+](C2CC2)CCO1)c1ccccc1SCc1cccs1 ZINC000127273723 887046322 /nfs/dbraw/zinc/04/63/22/887046322.db2.gz YCTVXNDUYILGLV-INIZCTEOSA-N 1 2 388.558 3.633 10 0 GHAELO O=C(C[N@@H+]1CCC[C@@H](c2nccs2)C1)N[C@H](c1nccs1)c1ccccc1 ZINC000247228678 891357577 /nfs/dbraw/zinc/35/75/77/891357577.db2.gz UAOURYMABHKVFS-AEFFLSMTSA-N 1 2 398.557 3.685 10 0 GHAELO O=C(C[N@H+]1CCC[C@@H](c2nccs2)C1)N[C@H](c1nccs1)c1ccccc1 ZINC000247228678 891357587 /nfs/dbraw/zinc/35/75/87/891357587.db2.gz UAOURYMABHKVFS-AEFFLSMTSA-N 1 2 398.557 3.685 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cs1 ZINC000247777122 891395619 /nfs/dbraw/zinc/39/56/19/891395619.db2.gz WZBMDYBIDMGRMS-QZTJIDSGSA-N 1 2 391.537 3.977 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2ccco2)cs1 ZINC000247777122 891395635 /nfs/dbraw/zinc/39/56/35/891395635.db2.gz WZBMDYBIDMGRMS-QZTJIDSGSA-N 1 2 391.537 3.977 10 0 GHAELO O=C(C1CC[NH+](Cc2nccn2Cc2ccccc2)CC1)N1CCCCCC1 ZINC000078338898 891801951 /nfs/dbraw/zinc/80/19/51/891801951.db2.gz XXBNXCKXJDBNKG-UHFFFAOYSA-N 1 2 380.536 3.546 10 0 GHAELO CNC(=O)c1ccc([C@@H]2CCCC[N@@H+]2Cc2ncccc2C(F)(F)F)n1C ZINC000328638939 206236873 /nfs/dbraw/zinc/23/68/73/206236873.db2.gz PGFJCRZLYCKCMA-INIZCTEOSA-N 1 2 380.414 3.526 10 0 GHAELO CNC(=O)c1ccc([C@@H]2CCCC[N@H+]2Cc2ncccc2C(F)(F)F)n1C ZINC000328638939 206236877 /nfs/dbraw/zinc/23/68/77/206236877.db2.gz PGFJCRZLYCKCMA-INIZCTEOSA-N 1 2 380.414 3.526 10 0 GHAELO Clc1ccc(-c2cc(-c3nc([C@@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)no2)cc1 ZINC000329742206 835847609 /nfs/dbraw/zinc/84/76/09/835847609.db2.gz WJHASCPNXZLCCU-PBHICJAKSA-N 1 2 386.839 3.971 10 0 GHAELO Clc1ccc(-c2cc(-c3nc([C@@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)no2)cc1 ZINC000329742206 835847614 /nfs/dbraw/zinc/84/76/14/835847614.db2.gz WJHASCPNXZLCCU-PBHICJAKSA-N 1 2 386.839 3.971 10 0 GHAELO COc1ccc(C(=O)C2CCN(c3cc(N4CCC[C@@H](C)C4)nc[nH+]3)CC2)cc1 ZINC000301242491 841154838 /nfs/dbraw/zinc/15/48/38/841154838.db2.gz MZTHPPCRNWLLDR-QGZVFWFLSA-N 1 2 394.519 3.821 10 0 GHAELO COc1ccc(C(=O)C2CCN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC2)cc1 ZINC000301242491 841154852 /nfs/dbraw/zinc/15/48/52/841154852.db2.gz MZTHPPCRNWLLDR-QGZVFWFLSA-N 1 2 394.519 3.821 10 0 GHAELO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)[nH]1 ZINC000162490945 843264859 /nfs/dbraw/zinc/26/48/59/843264859.db2.gz VYIUWAHYXGEYGM-VBKZILBWSA-N 1 2 390.491 3.837 10 0 GHAELO Cc1cccc2[nH]cc(CCNC(=O)NCc3cc[nH+]c(N4CCCCC4)c3)c21 ZINC000103179166 863902381 /nfs/dbraw/zinc/90/23/81/863902381.db2.gz XZEIMRAQSZKGJQ-UHFFFAOYSA-N 1 2 391.519 3.904 10 0 GHAELO CCC(=O)Nc1cccc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c1 ZINC000104121356 864155824 /nfs/dbraw/zinc/15/58/24/864155824.db2.gz MWEZIIAHVMBKAX-MRXNPFEDSA-N 1 2 383.467 3.693 10 0 GHAELO Cc1ccc2[nH+]c(CSCC(=O)Nc3cccc(-c4ncon4)c3)cn2c1 ZINC000172137056 882171858 /nfs/dbraw/zinc/17/18/58/882171858.db2.gz PKWBRZVLYBFMLZ-UHFFFAOYSA-N 1 2 379.445 3.565 10 0 GHAELO Cc1c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cccc1OCC(F)(F)F ZINC000176351344 882682922 /nfs/dbraw/zinc/68/29/22/882682922.db2.gz SYXLGWKHOZJFRF-CQSZACIVSA-N 1 2 382.386 3.829 10 0 GHAELO O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1 ZINC000177813986 882830096 /nfs/dbraw/zinc/83/00/96/882830096.db2.gz KJRMTFYQTZUWKZ-HXUWFJFHSA-N 1 2 389.459 3.832 10 0 GHAELO C[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000177586145 882834731 /nfs/dbraw/zinc/83/47/31/882834731.db2.gz LHKUGLIXZJRLAB-UWJYYQICSA-N 1 2 375.476 3.880 10 0 GHAELO C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc2c(c1)CCC(=O)N2 ZINC000179982855 883041376 /nfs/dbraw/zinc/04/13/76/883041376.db2.gz PZCCEEARZOSFOR-NSHDSACASA-N 1 2 384.386 3.750 10 0 GHAELO Cc1ccccc1-c1nc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cs1 ZINC000186407644 883642635 /nfs/dbraw/zinc/64/26/35/883642635.db2.gz GSPAOTYHXGTAJZ-UHFFFAOYSA-N 1 2 378.501 3.866 10 0 GHAELO O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccnc(F)c1F ZINC000193428496 884498503 /nfs/dbraw/zinc/49/85/03/884498503.db2.gz VZRHPTJCLXKFHI-UHFFFAOYSA-N 1 2 386.427 3.627 10 0 GHAELO O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccnc(F)c1F ZINC000193428496 884498512 /nfs/dbraw/zinc/49/85/12/884498512.db2.gz VZRHPTJCLXKFHI-UHFFFAOYSA-N 1 2 386.427 3.627 10 0 GHAELO C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000103975275 885206358 /nfs/dbraw/zinc/20/63/58/885206358.db2.gz PXBYBKFWNAEDBR-MRXNPFEDSA-N 1 2 395.478 3.693 10 0 GHAELO Cc1cnc([C@H](C)CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s1 ZINC000248633295 891448429 /nfs/dbraw/zinc/44/84/29/891448429.db2.gz PPSDQZTVHWXTBT-NIKGAXFTSA-N 1 2 395.532 3.980 10 0 GHAELO CN1CC[C@H](C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000249107002 891495524 /nfs/dbraw/zinc/49/55/24/891495524.db2.gz PRVSZMGBZXOPKS-NSISKUIASA-N 1 2 399.901 3.969 10 0 GHAELO COC(=O)c1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc1 ZINC000014988921 207038177 /nfs/dbraw/zinc/03/81/77/207038177.db2.gz IHALTZVXXMMANO-UHFFFAOYSA-N 1 2 390.439 3.635 10 0 GHAELO COC(=O)c1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)cc1 ZINC000014988921 207038181 /nfs/dbraw/zinc/03/81/81/207038181.db2.gz IHALTZVXXMMANO-UHFFFAOYSA-N 1 2 390.439 3.635 10 0 GHAELO O=c1cc(-c2ccccc2Cl)nc(-c2ccc(C[NH+]3CCOCC3)cc2)[nH]1 ZINC000082039618 208078388 /nfs/dbraw/zinc/07/83/88/208078388.db2.gz IPQMDJGLIYPQCP-UHFFFAOYSA-N 1 2 381.863 3.590 10 0 GHAELO Cc1ccc([C@H]2C[N@H+](CCC(=O)Nc3ccccc3Br)CCO2)o1 ZINC000159184900 835751233 /nfs/dbraw/zinc/75/12/33/835751233.db2.gz HEFNAFQCBSLBLH-QGZVFWFLSA-N 1 2 393.281 3.753 10 0 GHAELO Cc1ccc([C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Br)CCO2)o1 ZINC000159184900 835751241 /nfs/dbraw/zinc/75/12/41/835751241.db2.gz HEFNAFQCBSLBLH-QGZVFWFLSA-N 1 2 393.281 3.753 10 0 GHAELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)[nH]1 ZINC000162618865 843277811 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394.441 3.558 10 0 GHAELO O=C(N1CCCN(c2cccc[nH+]2)CC1)C1(c2cccc(Cl)c2)CCOCC1 ZINC000186428334 883643991 /nfs/dbraw/zinc/64/39/91/883643991.db2.gz FMFHOXOGYOAPQK-UHFFFAOYSA-N 1 2 399.922 3.522 10 0 GHAELO CCOc1cc(C(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)cc(Cl)c1O ZINC000186816552 883708792 /nfs/dbraw/zinc/70/87/92/883708792.db2.gz NKINGFBNBAFKAX-UHFFFAOYSA-N 1 2 389.883 3.547 10 0 GHAELO O=C(NC[C@H](c1ccccc1)C(F)(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000187247992 883773810 /nfs/dbraw/zinc/77/38/10/883773810.db2.gz AQLYGRIDHYSJJQ-QGZVFWFLSA-N 1 2 392.425 3.649 10 0 GHAELO Cc1cc(C(=O)C[NH+]2CCC(n3cncn3)CC2)c(C)n1CCc1cccs1 ZINC000103472000 885994943 /nfs/dbraw/zinc/99/49/43/885994943.db2.gz WUASHCPEHUTLNE-UHFFFAOYSA-N 1 2 397.548 3.520 10 0 GHAELO Cc1sc2nc([C@@H](C)[NH+]3CCC(Cc4nccn4C)CC3)nc(N)c2c1C ZINC000106164484 886027611 /nfs/dbraw/zinc/02/76/11/886027611.db2.gz AGHLRNPTGFILHC-CYBMUJFWSA-N 1 2 384.553 3.640 10 0 GHAELO COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1OC(F)F ZINC000126455380 886969919 /nfs/dbraw/zinc/96/99/19/886969919.db2.gz IEKKSDHWFASCFO-CQPIPWFBSA-N 1 2 391.418 3.616 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cs1 ZINC000247777124 891396205 /nfs/dbraw/zinc/39/62/05/891396205.db2.gz WZBMDYBIDMGRMS-ZWKOTPCHSA-N 1 2 391.537 3.977 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2ccco2)cs1 ZINC000247777124 891396223 /nfs/dbraw/zinc/39/62/23/891396223.db2.gz WZBMDYBIDMGRMS-ZWKOTPCHSA-N 1 2 391.537 3.977 10 0 GHAELO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCc1nnc(-c2ccccc2)s1 ZINC000158212995 835275628 /nfs/dbraw/zinc/27/56/28/835275628.db2.gz JPPJMOYCQAWLAN-DHZHZOJOSA-N 1 2 387.468 3.720 10 0 GHAELO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@@H]1CCO[C@H](c2c[nH+]cn2C)C1 ZINC000275295071 836607334 /nfs/dbraw/zinc/60/73/34/836607334.db2.gz BEJQLAUUWHJPNP-HFTRVMKXSA-N 1 2 386.496 3.555 10 0 GHAELO CCO[C@@H]1C[C@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C12CCCC2 ZINC000153232814 842321983 /nfs/dbraw/zinc/32/19/83/842321983.db2.gz 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CC(C)n1ncc2ccc(NC(=O)N3CCCN(c4cccc[nH+]4)CC3)cc21 ZINC000184096556 883316206 /nfs/dbraw/zinc/31/62/06/883316206.db2.gz NHSYAULTPSEWAT-UHFFFAOYSA-N 1 2 378.480 3.756 10 0 GHAELO O=C(Nc1ccc(F)cc1C(F)(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184100744 883317163 /nfs/dbraw/zinc/31/71/63/883317163.db2.gz ATJDBRGJHHJDGY-UHFFFAOYSA-N 1 2 382.361 3.984 10 0 GHAELO O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184121252 883321536 /nfs/dbraw/zinc/32/15/36/883321536.db2.gz OCHPOJUUEYDVJI-UHFFFAOYSA-N 1 2 384.455 3.896 10 0 GHAELO CCOc1ccc(C[NH+]2CCN(C(=O)CCc3ccccc3OCC)CC2)cc1 ZINC000105308175 884704729 /nfs/dbraw/zinc/70/47/29/884704729.db2.gz NNQSEKTXASPXDD-UHFFFAOYSA-N 1 2 396.531 3.761 10 0 GHAELO CCOc1ccc(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1OC ZINC000103974723 885205553 /nfs/dbraw/zinc/20/55/53/885205553.db2.gz DTNQEOOPHFBILH-INIZCTEOSA-N 1 2 386.467 3.752 10 0 GHAELO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245584361 888998024 /nfs/dbraw/zinc/99/80/24/888998024.db2.gz ITNAYUCXGAZALR-FHLIZLRMSA-N 1 2 390.890 3.505 10 0 GHAELO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3ccnc32)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245584361 888998034 /nfs/dbraw/zinc/99/80/34/888998034.db2.gz ITNAYUCXGAZALR-FHLIZLRMSA-N 1 2 390.890 3.505 10 0 GHAELO C[N@@H+]1CC[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245663945 889186800 /nfs/dbraw/zinc/18/68/00/889186800.db2.gz AOFKUSRYBITJGP-DENIHFKCSA-N 1 2 398.457 3.725 10 0 GHAELO C[N@H+]1CC[C@@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245663945 889186818 /nfs/dbraw/zinc/18/68/18/889186818.db2.gz AOFKUSRYBITJGP-DENIHFKCSA-N 1 2 398.457 3.725 10 0 GHAELO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3c(Cl)n(C)nc3-c3ccccc3)[C@@H]2C1 ZINC000246194440 890650394 /nfs/dbraw/zinc/65/03/94/890650394.db2.gz LKHKBAKTTJZNAY-NXHRZFHOSA-N 1 2 375.900 3.509 10 0 GHAELO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3c(Cl)n(C)nc3-c3ccccc3)[C@@H]2C1 ZINC000246194440 890650401 /nfs/dbraw/zinc/65/04/01/890650401.db2.gz LKHKBAKTTJZNAY-NXHRZFHOSA-N 1 2 375.900 3.509 10 0 GHAELO CCCN(CCc1ccccn1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000105190021 898199522 /nfs/dbraw/zinc/19/95/22/898199522.db2.gz LUUCACBLOJCEPJ-UHFFFAOYSA-N 1 2 381.455 3.571 10 0 GHAELO C[C@@H]1CCN(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)C[C@H]1n1cc[nH+]c1 ZINC000158520395 835418711 /nfs/dbraw/zinc/41/87/11/835418711.db2.gz MNHVDWZSTQOHRS-CRAIPNDOSA-N 1 2 398.898 3.896 10 0 GHAELO CCOc1ccccc1[C@@H](CC)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000101617140 851756185 /nfs/dbraw/zinc/75/61/85/851756185.db2.gz MTTXXXRBADMKHT-LJQANCHMSA-N 1 2 382.508 3.900 10 0 GHAELO CCO[C@@H](C)c1nc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cs1 ZINC000172317580 882197824 /nfs/dbraw/zinc/19/78/24/882197824.db2.gz SRFOZNDKOWSCMG-INIZCTEOSA-N 1 2 379.570 3.855 10 0 GHAELO C[C@@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000177586133 882834367 /nfs/dbraw/zinc/83/43/67/882834367.db2.gz LHKUGLIXZJRLAB-DYESRHJHSA-N 1 2 375.476 3.880 10 0 GHAELO CC[C@H](c1nnc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)s1)c1ccccc1 ZINC000180471910 883060575 /nfs/dbraw/zinc/06/05/75/883060575.db2.gz IYMROZZZRKEGIS-SJORKVTESA-N 1 2 396.520 3.973 10 0 GHAELO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000122655295 879242116 /nfs/dbraw/zinc/24/21/16/879242116.db2.gz DEUIPWQVZGEXLC-LEWJYISDSA-N 1 2 379.435 3.740 10 0 GHAELO CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3ccnc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181101725 883121974 /nfs/dbraw/zinc/12/19/74/883121974.db2.gz ITNAYUCXGAZALR-JLSDUUJJSA-N 1 2 390.890 3.505 10 0 GHAELO CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCn3ccnc32)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000181101725 883121980 /nfs/dbraw/zinc/12/19/80/883121980.db2.gz ITNAYUCXGAZALR-JLSDUUJJSA-N 1 2 390.890 3.505 10 0 GHAELO O=C(Nc1ccccc1CC(F)(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184119101 883322367 /nfs/dbraw/zinc/32/23/67/883322367.db2.gz VHVAMMHUPONGBX-UHFFFAOYSA-N 1 2 378.398 3.931 10 0 GHAELO O=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)c1ccccc1SCc1cccs1 ZINC000127273474 887046409 /nfs/dbraw/zinc/04/64/09/887046409.db2.gz YCTVXNDUYILGLV-MRXNPFEDSA-N 1 2 388.558 3.633 10 0 GHAELO O=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)c1ccccc1SCc1cccs1 ZINC000127273474 887046416 /nfs/dbraw/zinc/04/64/16/887046416.db2.gz YCTVXNDUYILGLV-MRXNPFEDSA-N 1 2 388.558 3.633 10 0 GHAELO Cc1ccc(OCc2nc(C[N@@H+]3CCS[C@H]4COCC[C@H]43)cs2)cc1 ZINC000246735849 891303290 /nfs/dbraw/zinc/30/32/90/891303290.db2.gz GKXDKQHZNWVANJ-MSOLQXFVSA-N 1 2 376.547 3.737 10 0 GHAELO Cc1ccc(OCc2nc(C[N@H+]3CCS[C@H]4COCC[C@H]43)cs2)cc1 ZINC000246735849 891303306 /nfs/dbraw/zinc/30/33/06/891303306.db2.gz GKXDKQHZNWVANJ-MSOLQXFVSA-N 1 2 376.547 3.737 10 0 GHAELO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000247270996 891361398 /nfs/dbraw/zinc/36/13/98/891361398.db2.gz WIPGBIJLROVKHK-OWCLPIDISA-N 1 2 379.526 3.953 10 0 GHAELO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000247270996 891361408 /nfs/dbraw/zinc/36/14/08/891361408.db2.gz WIPGBIJLROVKHK-OWCLPIDISA-N 1 2 379.526 3.953 10 0 GHAELO CC(=O)N(c1nc(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cs1)C1CC1 ZINC000247272467 891361586 /nfs/dbraw/zinc/36/15/86/891361586.db2.gz WKVZSWNJQDEGCG-DLBZAZTESA-N 1 2 391.562 3.808 10 0 GHAELO CC(=O)N(c1nc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)cs1)C1CC1 ZINC000247272467 891361604 /nfs/dbraw/zinc/36/16/04/891361604.db2.gz WKVZSWNJQDEGCG-DLBZAZTESA-N 1 2 391.562 3.808 10 0 GHAELO CN1CC[C@H](C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000249106988 891495710 /nfs/dbraw/zinc/49/57/10/891495710.db2.gz PRVSZMGBZXOPKS-AHRSYUTCSA-N 1 2 399.901 3.969 10 0 GHAELO O[C@H]1CCCN(c2[nH+]c3ccccc3n2Cc2ccc(Br)cc2)C1 ZINC000095078251 211218591 /nfs/dbraw/zinc/21/85/91/211218591.db2.gz WEKUOWQTJJIIFO-INIZCTEOSA-N 1 2 386.293 3.808 10 0 GHAELO COc1cc(/C=C2\CCCC(C)(C)[C@]2(O)Cn2cc[nH+]c2)cc(OC)c1OC ZINC000020568386 210348184 /nfs/dbraw/zinc/34/81/84/210348184.db2.gz FNJIDFGLYIDTEK-BVZCLVNKSA-N 1 2 386.492 3.934 10 0 GHAELO O=C(c1ccccc1)N1Cc2[nH+]c[nH]c2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676045 560094703 /nfs/dbraw/zinc/09/47/03/560094703.db2.gz RULBNALKJMWOBD-SFHVURJKSA-N 1 2 389.390 3.539 10 0 biogenic GHAELO O=C(c1ccccc1)N1Cc2[nH]c[nH+]c2C[C@H]1c1nc(-c2ccc(F)cc2)no1 ZINC000015676045 560094705 /nfs/dbraw/zinc/09/47/05/560094705.db2.gz RULBNALKJMWOBD-SFHVURJKSA-N 1 2 389.390 3.539 10 0 biogenic GHAELO COC(=O)c1ccc(C[N@@H+]2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@@H]2C)cc1 ZINC000037521664 571023150 /nfs/dbraw/zinc/02/31/50/571023150.db2.gz LCZKJKVQPCWJCY-HNNXBMFYSA-N 1 2 386.879 3.672 10 0 GHAELO COC(=O)c1ccc(C[N@H+]2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@@H]2C)cc1 ZINC000037521664 571023155 /nfs/dbraw/zinc/02/31/55/571023155.db2.gz LCZKJKVQPCWJCY-HNNXBMFYSA-N 1 2 386.879 3.672 10 0 GHAELO C[C@H]1CCCN(c2cc(NC[C@H]3CCc4nc(C(F)(F)F)cn4C3)[nH+]cn2)C1 ZINC000330049303 862531159 /nfs/dbraw/zinc/53/11/59/862531159.db2.gz KQQFHDKEDQRKGJ-UONOGXRCSA-N 1 2 394.445 3.603 10 0 GHAELO C[C@H]1CCCN(c2cc(NC[C@H]3CCc4nc(C(F)(F)F)cn4C3)nc[nH+]2)C1 ZINC000330049303 862531165 /nfs/dbraw/zinc/53/11/65/862531165.db2.gz KQQFHDKEDQRKGJ-UONOGXRCSA-N 1 2 394.445 3.603 10 0 GHAELO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc2)cc1 ZINC000328957389 854616456 /nfs/dbraw/zinc/61/64/56/854616456.db2.gz NYFMKZIBPAIWOE-SFTDATJTSA-N 1 2 381.476 3.724 10 0 GHAELO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)cc2)cc1 ZINC000328957389 854616465 /nfs/dbraw/zinc/61/64/65/854616465.db2.gz NYFMKZIBPAIWOE-SFTDATJTSA-N 1 2 381.476 3.724 10 0 GHAELO Cc1c2ccccc2oc1[C@@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC000173909491 860444458 /nfs/dbraw/zinc/44/44/58/860444458.db2.gz AJCBCTAUEGEMAS-XLIONFOSSA-N 1 2 385.508 3.554 10 0 GHAELO Cc1cnn(CC2CC[NH+]([C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)CC2)c1 ZINC000329147645 861067640 /nfs/dbraw/zinc/06/76/40/861067640.db2.gz PDJAWHGFEMQURI-CQSZACIVSA-N 1 2 385.537 3.992 10 0 GHAELO O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1ncncc1Cl ZINC000181498436 883158172 /nfs/dbraw/zinc/15/81/72/883158172.db2.gz OAROOFSFOAPMAH-UHFFFAOYSA-N 1 2 399.709 3.831 10 0 GHAELO CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ncc(-c3ccccc3)cn2)cc1 ZINC000186052032 883607636 /nfs/dbraw/zinc/60/76/36/883607636.db2.gz COOWBYHKUBKLNR-MRXNPFEDSA-N 1 2 396.516 3.756 10 0 GHAELO O=C(Cc1coc(-c2ccc(Cl)cc2)n1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186427044 883644712 /nfs/dbraw/zinc/64/47/12/883644712.db2.gz FTCOXBLTAURIPV-UHFFFAOYSA-N 1 2 396.878 3.671 10 0 GHAELO COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc([C@H](C)OC)c2)CC1 ZINC000102795712 884450999 /nfs/dbraw/zinc/45/09/99/884450999.db2.gz WZLBQZVUCLVQGP-KRWDZBQOSA-N 1 2 383.492 3.752 10 0 GHAELO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245681689 889215071 /nfs/dbraw/zinc/21/50/71/889215071.db2.gz MUKHUHFXQCVHCY-PBHICJAKSA-N 1 2 396.869 3.650 10 0 GHAELO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245681689 889215085 /nfs/dbraw/zinc/21/50/85/889215085.db2.gz MUKHUHFXQCVHCY-PBHICJAKSA-N 1 2 396.869 3.650 10 0 GHAELO CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H](C)c3nc(-c4cccnc4)no3)ccc2NC1=O ZINC000246188294 890628384 /nfs/dbraw/zinc/62/83/84/890628384.db2.gz ASLSLSHOCVEECH-AHIWAGSCSA-N 1 2 393.447 3.653 10 0 GHAELO O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H](c1ccccc1)c1ccncc1 ZINC000103180797 837273300 /nfs/dbraw/zinc/27/33/00/837273300.db2.gz AFAIGHRHHITDPN-QFIPXVFZSA-N 1 2 383.455 3.856 10 0 GHAELO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)[nH]1 ZINC000162492527 843265363 /nfs/dbraw/zinc/26/53/63/843265363.db2.gz HYOZPKIDGCAXOA-AUUYWEPGSA-N 1 2 377.448 3.510 10 0 GHAELO COc1c(C)cc(CN(C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1C ZINC000101607711 851726774 /nfs/dbraw/zinc/72/67/74/851726774.db2.gz XCMSKLJHUSMWHX-UHFFFAOYSA-N 1 2 392.503 3.898 10 0 GHAELO C[C@H]1Sc2ccc(C(=O)N3CC[NH2+][C@H](c4cccc(F)c4)C3)cc2NC1=O ZINC000328651837 854489625 /nfs/dbraw/zinc/48/96/25/854489625.db2.gz KARDXZXTPIAUTL-PXAZEXFGSA-N 1 2 385.464 3.695 10 0 GHAELO CC(C)(C)c1csc([C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CCO2)n1 ZINC000110412731 866624986 /nfs/dbraw/zinc/62/49/86/866624986.db2.gz FGKKYJUDRFKPHE-OAHLLOKOSA-N 1 2 387.553 3.799 10 0 GHAELO CC(C)(C)c1csc([C@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)CCO2)n1 ZINC000110412731 866624998 /nfs/dbraw/zinc/62/49/98/866624998.db2.gz FGKKYJUDRFKPHE-OAHLLOKOSA-N 1 2 387.553 3.799 10 0 GHAELO O=C(CC[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1F ZINC000186623513 883677600 /nfs/dbraw/zinc/67/76/00/883677600.db2.gz OUMXHTLQZBZVGP-UHFFFAOYSA-N 1 2 390.405 3.525 10 0 GHAELO O=C(CC[N@@H+]1CCCN(C(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1F ZINC000186623513 883677605 /nfs/dbraw/zinc/67/76/05/883677605.db2.gz OUMXHTLQZBZVGP-UHFFFAOYSA-N 1 2 390.405 3.525 10 0 GHAELO C[C@@H](c1ccccc1Cl)[NH+]1CCN(CC(=O)N(C)Cc2cccs2)CC1 ZINC000105820196 884858840 /nfs/dbraw/zinc/85/88/40/884858840.db2.gz XLBNRPDNDUQUMN-INIZCTEOSA-N 1 2 391.968 3.739 10 0 GHAELO O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000247766828 891395080 /nfs/dbraw/zinc/39/50/80/891395080.db2.gz LKPIWPIAWUOWLV-UHFFFAOYSA-N 1 2 394.450 3.725 10 0 GHAELO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000333847503 902369202 /nfs/dbraw/zinc/36/92/02/902369202.db2.gz WNDYSQTXECHUOH-ZWOKBUDYSA-N 1 2 380.492 3.511 10 0 GHAELO C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532008 977168824 /nfs/dbraw/zinc/16/88/24/977168824.db2.gz RVAMSOZMCYQEJG-RDJZCZTQSA-N 1 2 385.533 3.794 10 0 GHAELO C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)c1ncc(C(=O)[O-])s1 ZINC000703532008 977168829 /nfs/dbraw/zinc/16/88/29/977168829.db2.gz RVAMSOZMCYQEJG-RDJZCZTQSA-N 1 2 385.533 3.794 10 0 GHAELO O=C(Nc1ccccc1N1CCCCC1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184027741 1014571542 /nfs/dbraw/zinc/57/15/42/1014571542.db2.gz HXDIDYKKPDLGBO-UHFFFAOYSA-N 1 2 379.508 3.816 10 0 GHAELO CN1c2ccc(OC(=O)N3CCc4ccccc4C3)cc2[C@]2(C)CC[N@@H+](C)[C@H]12 ZINC000056897587 211217028 /nfs/dbraw/zinc/21/70/28/211217028.db2.gz IIFRKALDATVOJE-GGAORHGYSA-N 1 2 377.488 3.613 10 0 investigational GHAELO CN1c2ccc(OC(=O)N3CCc4ccccc4C3)cc2[C@]2(C)CC[N@H+](C)[C@H]12 ZINC000056897587 211217034 /nfs/dbraw/zinc/21/70/34/211217034.db2.gz IIFRKALDATVOJE-GGAORHGYSA-N 1 2 377.488 3.613 10 0 investigational GHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@@H](C)C(=O)Nc1nc3ccccc3s1)C2 ZINC000106371846 840929937 /nfs/dbraw/zinc/92/99/37/840929937.db2.gz BEFBEYCSOIVWNG-ZDUSSCGKSA-N 1 2 383.521 3.539 10 0 GHAELO COc1ccc(-c2ncc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)s2)cc1 ZINC000186388366 883654233 /nfs/dbraw/zinc/65/42/33/883654233.db2.gz GTYQDEWJVMMASU-UHFFFAOYSA-N 1 2 394.500 3.566 10 0 GHAELO C[C@@H](C1CC1)N(C(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C1CC1 ZINC000188876340 883890255 /nfs/dbraw/zinc/89/02/55/883890255.db2.gz VUWPQHPBWISYCQ-HNNXBMFYSA-N 1 2 392.503 3.614 10 0 GHAELO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000119019705 886422553 /nfs/dbraw/zinc/42/25/53/886422553.db2.gz XVNSJRHBZHIUNR-OALUTQOASA-N 1 2 398.507 3.530 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)Cc2cnc3ccccc3c2)[C@H]1c1ccc(F)c(F)c1 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379.435 3.833 10 0 GHAELO Cc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)n2)ccc1F ZINC000179975858 883041637 /nfs/dbraw/zinc/04/16/37/883041637.db2.gz OGYOYSALMIVXOZ-ZDUSSCGKSA-N 1 2 380.423 3.920 10 0 GHAELO CCCC(=O)Nc1ccc(Cl)c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1 ZINC000180608303 883084182 /nfs/dbraw/zinc/08/41/82/883084182.db2.gz DOBJMHYYMRVKSF-HNNXBMFYSA-N 1 2 389.887 3.972 10 0 GHAELO O=C(Nc1ccc(F)cc1Br)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184075170 883315253 /nfs/dbraw/zinc/31/52/53/883315253.db2.gz PSIGVYGVSHZIGV-UHFFFAOYSA-N 1 2 393.260 3.727 10 0 GHAELO O=C(Nc1cc(Br)ccc1F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184106283 883319256 /nfs/dbraw/zinc/31/92/56/883319256.db2.gz WIYOMRDFZWUSGS-UHFFFAOYSA-N 1 2 393.260 3.727 10 0 GHAELO O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184121625 883322441 /nfs/dbraw/zinc/32/24/41/883322441.db2.gz KFMUPVPDSCSZBD-UHFFFAOYSA-N 1 2 377.448 3.844 10 0 GHAELO O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184227780 883337941 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C[C@@H]1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000246330483 891022268 /nfs/dbraw/zinc/02/22/68/891022268.db2.gz GCMWSONYBVTPHH-OAUYIBNBSA-N 1 2 382.291 3.723 10 0 GHAELO Cc1ccccc1NC(=O)CCC1CCN(c2cc(NC3CC3)[nH+]cn2)CC1 ZINC000065274121 570776448 /nfs/dbraw/zinc/77/64/48/570776448.db2.gz OKCQMRPEIKBLCW-UHFFFAOYSA-N 1 2 379.508 3.995 10 0 GHAELO Cc1ccccc1NC(=O)CCC1CCN(c2cc(NC3CC3)nc[nH+]2)CC1 ZINC000065274121 570776451 /nfs/dbraw/zinc/77/64/51/570776451.db2.gz OKCQMRPEIKBLCW-UHFFFAOYSA-N 1 2 379.508 3.995 10 0 GHAELO COc1ccc(OC)c(NC(=O)[C@H](C)[NH+]2CCC(c3nc(C)cs3)CC2)c1 ZINC000156763558 834544943 /nfs/dbraw/zinc/54/49/43/834544943.db2.gz RZPRKQQYLNZXKK-AWEZNQCLSA-N 1 2 389.521 3.675 10 0 GHAELO O=C(Nc1cccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000157327643 834869166 /nfs/dbraw/zinc/86/91/66/834869166.db2.gz WIJNTLZLCUZYNU-FQEVSTJZSA-N 1 2 389.459 3.832 10 0 GHAELO O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)[C@H]1C[C@]12CCOc1ccccc12 ZINC000332795833 844555016 /nfs/dbraw/zinc/55/50/16/844555016.db2.gz IWJPQDZOKQFULZ-YKSBVNFPSA-N 1 2 391.515 3.819 10 0 GHAELO Cc1cccc(-c2noc(C[N@@H+]3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)n2)c1 ZINC000101920619 860064655 /nfs/dbraw/zinc/06/46/55/860064655.db2.gz BMFMSPLPZTXNIG-GOSISDBHSA-N 1 2 395.438 3.580 10 0 GHAELO Cc1cccc(-c2noc(C[N@H+]3CC[C@@H](NC(=O)Nc4ccc(F)cc4)C3)n2)c1 ZINC000101920619 860064668 /nfs/dbraw/zinc/06/46/68/860064668.db2.gz BMFMSPLPZTXNIG-GOSISDBHSA-N 1 2 395.438 3.580 10 0 GHAELO Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1 ZINC000173778996 860443438 /nfs/dbraw/zinc/44/34/38/860443438.db2.gz ZEGDNPKCLHXLPO-GOSISDBHSA-N 1 2 381.476 3.726 10 0 GHAELO CC(C)(C)c1nc2ccc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2s1 ZINC000173906065 860444440 /nfs/dbraw/zinc/44/44/40/860444440.db2.gz JOPGMTBVTCCODL-OAHLLOKOSA-N 1 2 388.537 3.532 10 0 GHAELO COC(=O)c1cc(F)ccc1C[N@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000103466613 863996353 /nfs/dbraw/zinc/99/63/53/863996353.db2.gz ABLCIELMYSYKNJ-UHFFFAOYSA-N 1 2 383.366 3.854 10 0 GHAELO COC(=O)c1cc(F)ccc1C[N@@H+](C)Cc1ccc(OC)c(OC(F)F)c1 ZINC000103466613 863996363 /nfs/dbraw/zinc/99/63/63/863996363.db2.gz ABLCIELMYSYKNJ-UHFFFAOYSA-N 1 2 383.366 3.854 10 0 GHAELO COc1ccccc1[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000177505865 882808262 /nfs/dbraw/zinc/80/82/62/882808262.db2.gz BSJWVFYQOBQBEY-DENIHFKCSA-N 1 2 390.487 3.855 10 0 GHAELO O=C(Nc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000177746059 882822206 /nfs/dbraw/zinc/82/22/06/882822206.db2.gz ROVRHBIOCRIBDX-KRWDZBQOSA-N 1 2 380.473 3.502 10 0 GHAELO CC(C)n1cc(Br)cc1C(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186410580 883643214 /nfs/dbraw/zinc/64/32/14/883643214.db2.gz COCMDMLKVRKGLJ-UHFFFAOYSA-N 1 2 391.313 3.579 10 0 GHAELO Cc1nc(CCC(=O)N2CCCN(c3cccc[nH+]3)CC2)oc1-c1ccccc1 ZINC000186435334 883644791 /nfs/dbraw/zinc/64/47/91/883644791.db2.gz XQVVTCSKPFXHCI-UHFFFAOYSA-N 1 2 390.487 3.717 10 0 GHAELO Cc1ccc([C@@H]2CN(C(=O)N[C@@H](C)c3cccc(-n4cc[nH+]c4)c3)CCO2)o1 ZINC000120735594 886529603 /nfs/dbraw/zinc/52/96/03/886529603.db2.gz XKEMZCOLYCREAK-JXFKEZNVSA-N 1 2 380.448 3.618 10 0 GHAELO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@@H]3CCCC[C@H]3n3cccn3)s2)cc1 ZINC000128032110 887138367 /nfs/dbraw/zinc/13/83/67/887138367.db2.gz TYZDGJGWZSWCSX-IAGOWNOFSA-N 1 2 396.520 3.569 10 0 GHAELO Cc1cc2c(nc(-c3cccnc3)nc2N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000072260905 136167764 /nfs/dbraw/zinc/16/77/64/136167764.db2.gz VINCJGZADCKOQX-UHFFFAOYSA-N 1 2 388.500 3.783 10 0 GHAELO O=C(OCc1ccccc1)[C@H](CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000035315339 570551583 /nfs/dbraw/zinc/55/15/83/570551583.db2.gz IZGCKWHDNJEEAX-QHCPKHFHSA-N 1 2 375.468 3.793 10 0 in-vitro GHAELO Clc1ccc(OCc2nc(C[NH+]3CCC(n4cncn4)CC3)cs2)cc1 ZINC000156586077 834442902 /nfs/dbraw/zinc/44/29/02/834442902.db2.gz SHCCYGUDLGAZHD-UHFFFAOYSA-N 1 2 389.912 3.804 10 0 GHAELO Cc1cc(-c2noc(C[NH2+][C@H](C)c3ccc4c(c3)CCC(=O)N4)n2)ccc1F ZINC000179975876 838482932 /nfs/dbraw/zinc/48/29/32/838482932.db2.gz OGYOYSALMIVXOZ-CYBMUJFWSA-N 1 2 380.423 3.920 10 0 GHAELO COc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H]3Cn3cc[nH+]c3)c2c1 ZINC000161867276 843165658 /nfs/dbraw/zinc/16/56/58/843165658.db2.gz CHFWECAMNAAZOT-INIZCTEOSA-N 1 2 376.460 3.622 10 0 GHAELO COc1c(C)cc(CN(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1C ZINC000101606346 851725588 /nfs/dbraw/zinc/72/55/88/851725588.db2.gz NOLVJXDOFUBJMR-UHFFFAOYSA-N 1 2 382.508 3.649 10 0 GHAELO CC(C)(C)c1csc([C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CCO2)n1 ZINC000110412728 866625043 /nfs/dbraw/zinc/62/50/43/866625043.db2.gz FGKKYJUDRFKPHE-HNNXBMFYSA-N 1 2 387.553 3.799 10 0 GHAELO CC(C)(C)c1csc([C@@H]2CN(c3cc(N4CCCCC4)nc[nH+]3)CCO2)n1 ZINC000110412728 866625055 /nfs/dbraw/zinc/62/50/55/866625055.db2.gz FGKKYJUDRFKPHE-HNNXBMFYSA-N 1 2 387.553 3.799 10 0 GHAELO O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000176346881 882681285 /nfs/dbraw/zinc/68/12/85/882681285.db2.gz AMBKGBZJHWVXDC-HXUWFJFHSA-N 1 2 395.507 3.596 10 0 GHAELO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCSC[C@H]1c1nccs1 ZINC000184157781 883326173 /nfs/dbraw/zinc/32/61/73/883326173.db2.gz VGMHVZUYHQUYPV-ZVVFDCPKSA-N 1 2 382.514 3.659 10 0 GHAELO C[C@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187352262 883770223 /nfs/dbraw/zinc/77/02/23/883770223.db2.gz UYEPREAORQUVPN-HNNXBMFYSA-N 1 2 396.520 3.676 10 0 GHAELO CCOc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000189489835 883947366 /nfs/dbraw/zinc/94/73/66/883947366.db2.gz QBPMMZRBNWKKJL-CQSZACIVSA-N 1 2 393.285 3.741 10 0 GHAELO CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CCN(c2cccs2)CC1 ZINC000190563143 884096826 /nfs/dbraw/zinc/09/68/26/884096826.db2.gz JODYVRROTRJJOA-UHFFFAOYSA-N 1 2 389.569 3.598 10 0 GHAELO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3c(C)nc4sc(C)cn34)n2)c1 ZINC000191563475 884199965 /nfs/dbraw/zinc/19/99/65/884199965.db2.gz MYVMZCOCLNFVQX-CYBMUJFWSA-N 1 2 383.477 3.922 10 0 GHAELO Cc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c(Br)c1 ZINC000184028389 1014571610 /nfs/dbraw/zinc/57/16/10/1014571610.db2.gz IJMNLVXTDJPQFO-UHFFFAOYSA-N 1 2 389.297 3.897 10 0 GHAELO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCc1cccc(F)c1 ZINC000065245235 136161445 /nfs/dbraw/zinc/16/14/45/136161445.db2.gz AZQWQJWUPOOFCW-MRXNPFEDSA-N 1 2 397.498 3.503 10 0 GHAELO O=C(CC[C@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCc1cccc(F)c1 ZINC000065245235 136161446 /nfs/dbraw/zinc/16/14/46/136161446.db2.gz AZQWQJWUPOOFCW-MRXNPFEDSA-N 1 2 397.498 3.503 10 0 GHAELO CN1CC[NH+](CCCN2c3ccccc3[S@](=O)c3ccc(Cl)cc32)CC1 ZINC000021981330 570300785 /nfs/dbraw/zinc/30/07/85/570300785.db2.gz AZGYHFQQUZPAFZ-AREMUKBSSA-N 1 2 389.952 3.596 10 0 in-vitro GHAELO CC(=O)N(Cc1ccsc1)[C@H]1CC12CCN(c1cc[nH+]c(C3CC3)n1)CC2 ZINC000275820890 570699801 /nfs/dbraw/zinc/69/98/01/570699801.db2.gz UTYVNBUUHVCHTD-SFHVURJKSA-N 1 2 382.533 3.823 10 0 GHAELO O=C(Nc1ccnn1Cc1ccc(Cl)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000158538494 835427764 /nfs/dbraw/zinc/42/77/64/835427764.db2.gz HIQJGKCKOSSPFN-UHFFFAOYSA-N 1 2 384.871 3.650 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOc3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000245728386 844081645 /nfs/dbraw/zinc/08/16/45/844081645.db2.gz XXSATFQIOJBFPG-BJLQDIEVSA-N 1 2 387.430 3.533 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCOc3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000245728386 844081652 /nfs/dbraw/zinc/08/16/52/844081652.db2.gz XXSATFQIOJBFPG-BJLQDIEVSA-N 1 2 387.430 3.533 10 0 GHAELO Cc1ccc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)c(OCC(F)(F)F)c1 ZINC000163085851 842961298 /nfs/dbraw/zinc/96/12/98/842961298.db2.gz VYIAWCOMRMHWFE-CQSZACIVSA-N 1 2 382.386 3.829 10 0 GHAELO CC(=O)N1CC[NH+](Cc2cccc(NC(=O)/C(C)=C\c3ccc(F)cc3)c2)CC1 ZINC000588538894 848014018 /nfs/dbraw/zinc/01/40/18/848014018.db2.gz HTMXXYAMPKQRKO-VKAVYKQESA-N 1 2 395.478 3.532 10 0 GHAELO O=C(NCCCCOCc1ccccc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000101995364 852078965 /nfs/dbraw/zinc/07/89/65/852078965.db2.gz KZRAOTAPDFCJEV-UHFFFAOYSA-N 1 2 378.476 3.669 10 0 GHAELO C[C@@H]1Sc2ccc(C(=O)N3CC[NH2+][C@@H](c4cccc(F)c4)C3)cc2NC1=O ZINC000328651847 854489530 /nfs/dbraw/zinc/48/95/30/854489530.db2.gz KARDXZXTPIAUTL-YVEFUNNKSA-N 1 2 385.464 3.695 10 0 GHAELO Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000173909461 860444370 /nfs/dbraw/zinc/44/43/70/860444370.db2.gz AJCBCTAUEGEMAS-FXAWDEMLSA-N 1 2 385.508 3.554 10 0 GHAELO CC(=O)N1CC[C@H](Nc2[nH+]cnc3c2cnn3C(C)(C)C)c2ccc(F)cc2C1 ZINC000302207639 865766646 /nfs/dbraw/zinc/76/66/46/865766646.db2.gz XHJJWRGMFQFLCN-SFHVURJKSA-N 1 2 396.470 3.626 10 0 GHAELO Cc1ccc(Br)c(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1 ZINC000184139075 883322951 /nfs/dbraw/zinc/32/29/51/883322951.db2.gz KAYFCLQOHCPRMB-UHFFFAOYSA-N 1 2 389.297 3.897 10 0 GHAELO c1ccc(-c2cnc(C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)nc2)cc1 ZINC000185867158 883596031 /nfs/dbraw/zinc/59/60/31/883596031.db2.gz PYQUJAKPMNISHX-QFIPXVFZSA-N 1 2 375.472 3.991 10 0 GHAELO Cc1ccc(-c2nc(C)c(C(=O)N3CCCN(c4cccc[nH+]4)CC3)s2)o1 ZINC000186389479 883653889 /nfs/dbraw/zinc/65/38/89/883653889.db2.gz VTNPNWZRRBUOAE-UHFFFAOYSA-N 1 2 382.489 3.767 10 0 GHAELO Cc1cc(C)c(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1Br ZINC000187541959 883799051 /nfs/dbraw/zinc/79/90/51/883799051.db2.gz UKQKYEFHVHZSCG-CQSZACIVSA-N 1 2 377.286 3.959 10 0 GHAELO Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(F)c1 ZINC000042628293 886796819 /nfs/dbraw/zinc/79/68/19/886796819.db2.gz DXTJEISPNYLGJT-KRWDZBQOSA-N 1 2 389.515 3.576 10 0 GHAELO Cc1ccc(C[NH2+][C@@H](c2cccs2)c2ncc[nH]2)c(-n2cc(Cl)cn2)n1 ZINC000195128286 888647778 /nfs/dbraw/zinc/64/77/78/888647778.db2.gz ZYLAISDFNSERJD-INIZCTEOSA-N 1 2 384.896 3.893 10 0 GHAELO O=C(C[N@@H+]1CCC[C@H](c2nccs2)C1)N(Cc1ccco1)CC(F)(F)F ZINC000195348275 888683082 /nfs/dbraw/zinc/68/30/82/888683082.db2.gz SLIBEFWIPDZEPL-ZDUSSCGKSA-N 1 2 387.427 3.507 10 0 GHAELO O=C(C[N@H+]1CCC[C@H](c2nccs2)C1)N(Cc1ccco1)CC(F)(F)F ZINC000195348275 888683091 /nfs/dbraw/zinc/68/30/91/888683091.db2.gz SLIBEFWIPDZEPL-ZDUSSCGKSA-N 1 2 387.427 3.507 10 0 GHAELO C[N@@H+]1CC[C@@H](NC(=O)c2ncccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000245592689 889033797 /nfs/dbraw/zinc/03/37/97/889033797.db2.gz HIIWDXBXHWBWJL-GDBMZVCRSA-N 1 2 385.336 3.554 10 0 GHAELO C[N@H+]1CC[C@@H](NC(=O)c2ncccc2C(F)(F)F)[C@H]1c1ccc(F)c(F)c1 ZINC000245592689 889033811 /nfs/dbraw/zinc/03/38/11/889033811.db2.gz HIIWDXBXHWBWJL-GDBMZVCRSA-N 1 2 385.336 3.554 10 0 GHAELO CN(Cc1ccc(Cl)nc1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245762784 889665813 /nfs/dbraw/zinc/66/58/13/889665813.db2.gz IYBDIXCLXITWNN-FUHWJXTLSA-N 1 2 394.853 3.600 10 0 GHAELO CN(Cc1ccc(Cl)nc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245762784 889665822 /nfs/dbraw/zinc/66/58/22/889665822.db2.gz IYBDIXCLXITWNN-FUHWJXTLSA-N 1 2 394.853 3.600 10 0 GHAELO COc1cc(OC)cc([C@@H]2CC[N@H+](Cc3nc([C@@H](C)OCC(C)C)no3)C2)c1 ZINC000246347056 891048522 /nfs/dbraw/zinc/04/85/22/891048522.db2.gz FRQPFMHMANOINA-HZPDHXFCSA-N 1 2 389.496 3.810 10 0 GHAELO COc1cc(OC)cc([C@@H]2CC[N@@H+](Cc3nc([C@@H](C)OCC(C)C)no3)C2)c1 ZINC000246347056 891048538 /nfs/dbraw/zinc/04/85/38/891048538.db2.gz FRQPFMHMANOINA-HZPDHXFCSA-N 1 2 389.496 3.810 10 0 GHAELO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000333847500 902369013 /nfs/dbraw/zinc/36/90/13/902369013.db2.gz WNDYSQTXECHUOH-SQGPQFPESA-N 1 2 380.492 3.511 10 0 GHAELO Cc1ccc(CN(CCC[NH+]2CCOCC2)C(=S)Nc2ccc(C)cc2)o1 ZINC000017079163 210203255 /nfs/dbraw/zinc/20/32/55/210203255.db2.gz RBKXKLPPJCWJOU-UHFFFAOYSA-N 1 2 387.549 3.818 10 0 GHAELO O=C(CCC[NH+]1CCN(C(=O)OC2CCCCC2)CC1)c1ccc(F)cc1 ZINC000031545115 209245064 /nfs/dbraw/zinc/24/50/64/209245064.db2.gz OCHNIEZVJROLLV-UHFFFAOYSA-N 1 2 376.472 3.876 10 0 in-man GHAELO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)[nH+]cn2)C1)NCc1cccc(F)c1 ZINC000065245234 136161579 /nfs/dbraw/zinc/16/15/79/136161579.db2.gz AZQWQJWUPOOFCW-INIZCTEOSA-N 1 2 397.498 3.503 10 0 GHAELO O=C(CC[C@@H]1CCCN(c2cc(NC3CC3)nc[nH+]2)C1)NCc1cccc(F)c1 ZINC000065245234 136161580 /nfs/dbraw/zinc/16/15/80/136161580.db2.gz AZQWQJWUPOOFCW-INIZCTEOSA-N 1 2 397.498 3.503 10 0 GHAELO Cc1[nH+]cc(-c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2F)n1C(C)C ZINC000040917860 581091428 /nfs/dbraw/zinc/09/14/28/581091428.db2.gz XCPITERAYNQRGL-UHFFFAOYSA-N 1 2 396.470 3.949 10 0 GHAELO Clc1ccc(-n2cc(-c3nc([C@@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)cn2)cc1 ZINC000329742860 835845545 /nfs/dbraw/zinc/84/55/45/835845545.db2.gz WVLNXMWMUKULSI-SJORKVTESA-N 1 2 385.855 3.502 10 0 GHAELO Clc1ccc(-n2cc(-c3nc([C@@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)cn2)cc1 ZINC000329742860 835845549 /nfs/dbraw/zinc/84/55/49/835845549.db2.gz WVLNXMWMUKULSI-SJORKVTESA-N 1 2 385.855 3.502 10 0 GHAELO COc1ccc(C2(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)CCCC2)cc1 ZINC000103306664 863950204 /nfs/dbraw/zinc/95/02/04/863950204.db2.gz KOLCOIABHBQBMI-UHFFFAOYSA-N 1 2 394.519 3.828 10 0 GHAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114826017 870752690 /nfs/dbraw/zinc/75/26/90/870752690.db2.gz JOWSYYVIURTXDV-HNNXBMFYSA-N 1 2 385.468 3.557 10 0 GHAELO O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000176346902 882681234 /nfs/dbraw/zinc/68/12/34/882681234.db2.gz AMBKGBZJHWVXDC-FQEVSTJZSA-N 1 2 395.507 3.596 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@@H+]2CC[C@H](c3cc(OC)cc(OC)c3)C2)cs1 ZINC000177418394 882796388 /nfs/dbraw/zinc/79/63/88/882796388.db2.gz CAQDPOFURDESAZ-HNNXBMFYSA-N 1 2 389.521 3.523 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@H+]2CC[C@H](c3cc(OC)cc(OC)c3)C2)cs1 ZINC000177418394 882796397 /nfs/dbraw/zinc/79/63/97/882796397.db2.gz CAQDPOFURDESAZ-HNNXBMFYSA-N 1 2 389.521 3.523 10 0 GHAELO CCOc1cc(/C=C/C(=O)N2CCC(n3cc[nH+]c3)CC2)ccc1OC(F)F ZINC000120349833 875943471 /nfs/dbraw/zinc/94/34/71/875943471.db2.gz WDMMYTICMHVETD-GQCTYLIASA-N 1 2 391.418 3.760 10 0 GHAELO Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000180456895 883059480 /nfs/dbraw/zinc/05/94/80/883059480.db2.gz GBNCAUKBKKTGAC-INIZCTEOSA-N 1 2 394.504 3.829 10 0 GHAELO COc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1-c1ccccn1 ZINC000186482141 883649486 /nfs/dbraw/zinc/64/94/86/883649486.db2.gz DBAMBKDTKXFMPQ-UHFFFAOYSA-N 1 2 388.471 3.505 10 0 GHAELO C[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1cccc(N2CCCC2)c1 ZINC000186534377 883661368 /nfs/dbraw/zinc/66/13/68/883661368.db2.gz GJRJFDMOELVXJB-LJQANCHMSA-N 1 2 393.535 3.665 10 0 GHAELO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2OCC(=O)N2CCCC2)cs1 ZINC000189926587 884024288 /nfs/dbraw/zinc/02/42/88/884024288.db2.gz ZKJPDUYYTCOUDK-IBGZPJMESA-N 1 2 385.533 3.790 10 0 GHAELO Cc1nc([C@@H]2CCC[N@H+]2Cc2ccccc2OCC(=O)N2CCCC2)cs1 ZINC000189926587 884024304 /nfs/dbraw/zinc/02/43/04/884024304.db2.gz ZKJPDUYYTCOUDK-IBGZPJMESA-N 1 2 385.533 3.790 10 0 GHAELO O=C(NCc1ccccc1C[NH+]1CCOCC1)N(Cc1ccco1)C1CCCC1 ZINC000105089211 884109114 /nfs/dbraw/zinc/10/91/14/884109114.db2.gz FNGACORLYVUBEJ-UHFFFAOYSA-N 1 2 397.519 3.766 10 0 GHAELO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)[C@H]1CC(=O)Nc2ccccc21 ZINC000044567972 886975195 /nfs/dbraw/zinc/97/51/95/886975195.db2.gz QTOWEBLCUBSOPC-IBGZPJMESA-N 1 2 386.455 3.951 10 0 GHAELO CCOC(=O)c1nn(CC(C)C)c2c1C[N@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000014540757 210121433 /nfs/dbraw/zinc/12/14/33/210121433.db2.gz QDJAGHUAHWSETH-UHFFFAOYSA-N 1 2 380.492 3.755 10 0 GHAELO CCOC(=O)c1nn(CC(C)C)c2c1C[N@@H+](Cc1c[nH]c3ccccc13)CC2 ZINC000014540757 210121436 /nfs/dbraw/zinc/12/14/36/210121436.db2.gz QDJAGHUAHWSETH-UHFFFAOYSA-N 1 2 380.492 3.755 10 0 GHAELO COc1ccccc1N1CC[NH+]([C@@H]2CCCN(Cc3cc(C)c(C)o3)C2)CC1 ZINC000020534281 210346926 /nfs/dbraw/zinc/34/69/26/210346926.db2.gz DHFXSQANPLSCRA-HXUWFJFHSA-N 1 2 383.536 3.692 10 0 GHAELO Clc1cccc(-c2cc(-c3nc([C@@H]4C[N@@H+]5CCCC[C@@H]5CO4)no3)on2)c1 ZINC000329728592 835793921 /nfs/dbraw/zinc/79/39/21/835793921.db2.gz PATYMOOEIXNNNP-PBHICJAKSA-N 1 2 386.839 3.971 10 0 GHAELO Clc1cccc(-c2cc(-c3nc([C@@H]4C[N@H+]5CCCC[C@@H]5CO4)no3)on2)c1 ZINC000329728592 835793931 /nfs/dbraw/zinc/79/39/31/835793931.db2.gz PATYMOOEIXNNNP-PBHICJAKSA-N 1 2 386.839 3.971 10 0 GHAELO COc1c(C)cc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000101608822 851727565 /nfs/dbraw/zinc/72/75/65/851727565.db2.gz YHMWMLSQQIECFT-UHFFFAOYSA-N 1 2 396.466 3.978 10 0 GHAELO O=C(C[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)Nc1ccccc1F ZINC000102401010 860266731 /nfs/dbraw/zinc/26/67/31/860266731.db2.gz OGEOEDNMZFPKIF-HNNXBMFYSA-N 1 2 398.413 3.833 10 0 GHAELO O=C(C[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1)Nc1ccccc1F ZINC000102401010 860266740 /nfs/dbraw/zinc/26/67/40/860266740.db2.gz OGEOEDNMZFPKIF-HNNXBMFYSA-N 1 2 398.413 3.833 10 0 GHAELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H](c2nccs2)C1 ZINC000114821236 870705696 /nfs/dbraw/zinc/70/56/96/870705696.db2.gz BPRZNDARLZQEAW-KRWDZBQOSA-N 1 2 385.537 3.618 10 0 GHAELO Cc1ccnc(-c2ccc(NC(=O)N3CCCN(c4cccc[nH+]4)CC3)cc2)n1 ZINC000184108485 883319931 /nfs/dbraw/zinc/31/99/31/883319931.db2.gz SIOYCYNCVVNLIO-UHFFFAOYSA-N 1 2 388.475 3.591 10 0 GHAELO O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184137709 883323536 /nfs/dbraw/zinc/32/35/36/883323536.db2.gz HYOSJRLAZPCKPK-UHFFFAOYSA-N 1 2 386.406 3.640 10 0 GHAELO COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc(Cl)c1OC ZINC000126567254 886983106 /nfs/dbraw/zinc/98/31/06/886983106.db2.gz SYNNMVPGIIRCFE-PCLVQLBSSA-N 1 2 389.883 3.677 10 0 GHAELO OC(c1ccccc1)(c1ccccc1)N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000020509441 210343935 /nfs/dbraw/zinc/34/39/35/210343935.db2.gz NWIBJKQZKJJBAI-UHFFFAOYSA-N 1 2 376.475 3.837 10 0 GHAELO OC(c1ccccc1)(c1ccccc1)[NH+]1CCN(Cc2ccc(F)cc2)CC1 ZINC000020509441 210343938 /nfs/dbraw/zinc/34/39/38/210343938.db2.gz NWIBJKQZKJJBAI-UHFFFAOYSA-N 1 2 376.475 3.837 10 0 GHAELO CC[C@H]1c2cccn2CC[N@H+]1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000011840065 221130945 /nfs/dbraw/zinc/13/09/45/221130945.db2.gz HZRHHRNMCJBWDV-SFHVURJKSA-N 1 2 378.476 3.627 10 0 GHAELO CC[C@H]1c2cccn2CC[N@@H+]1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000011840065 221130948 /nfs/dbraw/zinc/13/09/48/221130948.db2.gz HZRHHRNMCJBWDV-SFHVURJKSA-N 1 2 378.476 3.627 10 0 GHAELO COc1ccc(CNc2nc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c3ccccc32)cc1 ZINC000072260775 136167737 /nfs/dbraw/zinc/16/77/37/136167737.db2.gz DXKPQVMKNLRJAM-HOTGVXAUSA-N 1 2 378.476 3.864 10 0 GHAELO COc1ccc(CNc2nc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c3ccccc32)cc1 ZINC000072260776 136167769 /nfs/dbraw/zinc/16/77/69/136167769.db2.gz DXKPQVMKNLRJAM-HZPDHXFCSA-N 1 2 378.476 3.864 10 0 GHAELO C[C@H]1C[N@H+](CC(=O)NCc2scnc2-c2ccccc2)Cc2ccccc2O1 ZINC000011872447 570442337 /nfs/dbraw/zinc/44/23/37/570442337.db2.gz HJLNRRDGILOEQI-INIZCTEOSA-N 1 2 393.512 3.709 10 0 GHAELO C[C@H]1C[N@@H+](CC(=O)NCc2scnc2-c2ccccc2)Cc2ccccc2O1 ZINC000011872447 570442338 /nfs/dbraw/zinc/44/23/38/570442338.db2.gz HJLNRRDGILOEQI-INIZCTEOSA-N 1 2 393.512 3.709 10 0 GHAELO Cc1ccsc1C(=O)N1CC[C@]2(C1)[NH2+]Cc1ccccc1NC2=NC(C)(C)C ZINC000065265955 570768838 /nfs/dbraw/zinc/76/88/38/570768838.db2.gz SRTFFEUJUVFLAL-JOCHJYFZSA-N 1 2 396.560 3.863 10 0 GHAELO COC(=O)c1ccc(C[N@@H+]2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@H]2C)cc1 ZINC000037521663 571023198 /nfs/dbraw/zinc/02/31/98/571023198.db2.gz LCZKJKVQPCWJCY-OAHLLOKOSA-N 1 2 386.879 3.672 10 0 GHAELO COC(=O)c1ccc(C[N@H+]2CCN(c3ccc(C)c(Cl)c3)C(=O)[C@H]2C)cc1 ZINC000037521663 571023201 /nfs/dbraw/zinc/02/32/01/571023201.db2.gz LCZKJKVQPCWJCY-OAHLLOKOSA-N 1 2 386.879 3.672 10 0 GHAELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)c2ccccc2)[nH]1 ZINC000162618737 843277360 /nfs/dbraw/zinc/27/73/60/843277360.db2.gz ZFOHCYWBSJCRAK-BTYIYWSLSA-N 1 2 375.476 3.680 10 0 GHAELO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000247980209 853267956 /nfs/dbraw/zinc/26/79/56/853267956.db2.gz IFWIFNKLASSBMO-KHYOSLBOSA-N 1 2 395.341 3.712 10 0 GHAELO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c(Br)c1 ZINC000247980209 853267963 /nfs/dbraw/zinc/26/79/63/853267963.db2.gz IFWIFNKLASSBMO-KHYOSLBOSA-N 1 2 395.341 3.712 10 0 GHAELO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc2)c1 ZINC000328935035 854607766 /nfs/dbraw/zinc/60/77/66/854607766.db2.gz FLTPAZPJKWIBOM-NHCUHLMSSA-N 1 2 381.476 3.724 10 0 GHAELO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)cc2)c1 ZINC000328935035 854607777 /nfs/dbraw/zinc/60/77/77/854607777.db2.gz FLTPAZPJKWIBOM-NHCUHLMSSA-N 1 2 381.476 3.724 10 0 GHAELO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193576471 859174508 /nfs/dbraw/zinc/17/45/08/859174508.db2.gz YOCOQEQJYWQUEC-VQTJNVASSA-N 1 2 384.520 3.583 10 0 GHAELO O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193576471 859174519 /nfs/dbraw/zinc/17/45/19/859174519.db2.gz YOCOQEQJYWQUEC-VQTJNVASSA-N 1 2 384.520 3.583 10 0 GHAELO C[C@H]1CCCN(c2cc(NCC3CCN(C(=O)c4ccccc4)CC3)[nH+]cn2)C1 ZINC000150926209 866283711 /nfs/dbraw/zinc/28/37/11/866283711.db2.gz TWFDFYLJAIBQHW-SFHVURJKSA-N 1 2 393.535 3.677 10 0 GHAELO C[C@H]1CCCN(c2cc(NCC3CCN(C(=O)c4ccccc4)CC3)nc[nH+]2)C1 ZINC000150926209 866283716 /nfs/dbraw/zinc/28/37/16/866283716.db2.gz TWFDFYLJAIBQHW-SFHVURJKSA-N 1 2 393.535 3.677 10 0 GHAELO O=C(Nc1ccc(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)s1)Nc1ccccc1 ZINC000105370719 866292808 /nfs/dbraw/zinc/29/28/08/866292808.db2.gz UZTUUBPYQVTUIR-MRXNPFEDSA-N 1 2 384.505 3.702 10 0 GHAELO O=C(Nc1ccc(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)s1)Nc1ccccc1 ZINC000105370719 866292823 /nfs/dbraw/zinc/29/28/23/866292823.db2.gz UZTUUBPYQVTUIR-MRXNPFEDSA-N 1 2 384.505 3.702 10 0 GHAELO Cn1cc([C@@H]2CC[N@H+](CC(=O)Nc3c(Cl)cccc3C(F)(F)F)C2)cn1 ZINC000172057218 882165864 /nfs/dbraw/zinc/16/58/64/882165864.db2.gz XFWRRAQBPSGOOH-LLVKDONJSA-N 1 2 386.805 3.520 10 0 GHAELO Cn1cc([C@@H]2CC[N@@H+](CC(=O)Nc3c(Cl)cccc3C(F)(F)F)C2)cn1 ZINC000172057218 882165870 /nfs/dbraw/zinc/16/58/70/882165870.db2.gz XFWRRAQBPSGOOH-LLVKDONJSA-N 1 2 386.805 3.520 10 0 GHAELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114821237 870706386 /nfs/dbraw/zinc/70/63/86/870706386.db2.gz BPRZNDARLZQEAW-QGZVFWFLSA-N 1 2 385.537 3.618 10 0 GHAELO O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@@H](c2nccs2)C1 ZINC000114826018 870752562 /nfs/dbraw/zinc/75/25/62/870752562.db2.gz JOWSYYVIURTXDV-OAHLLOKOSA-N 1 2 385.468 3.557 10 0 GHAELO CN(C)c1nc(-c2ccccc2)c(C[N@@H+]2CCO[C@@H](c3nccs3)C2)s1 ZINC000092831896 882441100 /nfs/dbraw/zinc/44/11/00/882441100.db2.gz HGIJWYMACXBWSD-OAHLLOKOSA-N 1 2 386.546 3.906 10 0 GHAELO CN(C)c1nc(-c2ccccc2)c(C[N@H+]2CCO[C@@H](c3nccs3)C2)s1 ZINC000092831896 882441105 /nfs/dbraw/zinc/44/11/05/882441105.db2.gz HGIJWYMACXBWSD-OAHLLOKOSA-N 1 2 386.546 3.906 10 0 GHAELO O=C(Nc1ccccc1)c1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000176349676 882682511 /nfs/dbraw/zinc/68/25/11/882682511.db2.gz BTIJXBXTLYXORV-FQEVSTJZSA-N 1 2 389.459 3.832 10 0 GHAELO C[C@H](NC(=O)Nc1ccc2c(c1)CN(C)C(=O)N2)c1cccc(-n2cc[nH+]c2)c1 ZINC000186595090 883667441 /nfs/dbraw/zinc/66/74/41/883667441.db2.gz RTUSMQQFEIOJMS-AWEZNQCLSA-N 1 2 390.447 3.732 10 0 GHAELO COc1cccc(-c2noc([C@H](C)[NH2+]Cc3c(C)nc4sc(C)cn34)n2)c1 ZINC000191563459 884200015 /nfs/dbraw/zinc/20/00/15/884200015.db2.gz MYVMZCOCLNFVQX-ZDUSSCGKSA-N 1 2 383.477 3.922 10 0 GHAELO O=C(Nc1cccc(-n2cc[nH+]c2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000047515052 887338151 /nfs/dbraw/zinc/33/81/51/887338151.db2.gz ACQVHNPHAVTIFS-UHFFFAOYSA-N 1 2 392.434 3.502 10 0 GHAELO Cc1cc(-n2cccn2)ccc1-c1[nH+]ccn1Cc1nc(-c2cccnc2)no1 ZINC000071764684 211060676 /nfs/dbraw/zinc/06/06/76/211060676.db2.gz NUMKWFIPNAEPFY-UHFFFAOYSA-N 1 2 383.415 3.538 10 0 GHAELO COc1ccc(CNc2nc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c3ccccc32)cc1 ZINC000072260774 136167791 /nfs/dbraw/zinc/16/77/91/136167791.db2.gz DXKPQVMKNLRJAM-IYBDPMFKSA-N 1 2 378.476 3.864 10 0 GHAELO Cc1nnc(C[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C(C)C)n1C1CC1 ZINC000104964858 856453274 /nfs/dbraw/zinc/45/32/74/856453274.db2.gz TXQSGZMYZBRGHA-HXUWFJFHSA-N 1 2 394.519 3.725 10 0 GHAELO Cc1nnc(C[N@H+](C[C@@H](O)COc2cccc3ccccc32)C(C)C)n1C1CC1 ZINC000104964858 856453275 /nfs/dbraw/zinc/45/32/75/856453275.db2.gz TXQSGZMYZBRGHA-HXUWFJFHSA-N 1 2 394.519 3.725 10 0 GHAELO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@]4(O)CCCC[C@@H]4C3)cc2)cc1 ZINC000140483543 864026483 /nfs/dbraw/zinc/02/64/83/864026483.db2.gz ICHVLWWWPWWMGV-NFBKMPQASA-N 1 2 399.556 3.955 10 0 GHAELO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@]4(O)CCCC[C@@H]4C3)cc2)cc1 ZINC000140483543 864026501 /nfs/dbraw/zinc/02/65/01/864026501.db2.gz ICHVLWWWPWWMGV-NFBKMPQASA-N 1 2 399.556 3.955 10 0 GHAELO CC(C)n1c(N(C)C)nn(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000103457908 872013647 /nfs/dbraw/zinc/01/36/47/872013647.db2.gz VYBAYYUTMOIODV-KRWDZBQOSA-N 1 2 377.533 3.865 10 0 GHAELO CC(C)n1c(N(C)C)nn(C[N@H+]2CCC[C@H]2Cc2cccc(F)c2)c1=S ZINC000103457908 872013657 /nfs/dbraw/zinc/01/36/57/872013657.db2.gz VYBAYYUTMOIODV-KRWDZBQOSA-N 1 2 377.533 3.865 10 0 GHAELO O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ncncc1Cl ZINC000176358013 882682863 /nfs/dbraw/zinc/68/28/63/882682863.db2.gz WDXGOQHHHQKUNZ-UHFFFAOYSA-N 1 2 399.709 3.831 10 0 GHAELO c1c2c(sc1-c1nnc(C[N@@H+]3CCCN(c4ccccn4)CC3)o1)CCCC2 ZINC000122204533 878553518 /nfs/dbraw/zinc/55/35/18/878553518.db2.gz PBBSSSNBCQYAMB-UHFFFAOYSA-N 1 2 395.532 3.784 10 0 GHAELO c1c2c(sc1-c1nnc(C[N@H+]3CCCN(c4ccccn4)CC3)o1)CCCC2 ZINC000122204533 878553532 /nfs/dbraw/zinc/55/35/32/878553532.db2.gz PBBSSSNBCQYAMB-UHFFFAOYSA-N 1 2 395.532 3.784 10 0 GHAELO CCCC(=O)Nc1cccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)c1C ZINC000184091859 883316346 /nfs/dbraw/zinc/31/63/46/883316346.db2.gz DNRWJMKXZBYWPB-UHFFFAOYSA-N 1 2 395.507 3.873 10 0 GHAELO C[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccc(OC(F)F)cc1 ZINC000186318382 883632235 /nfs/dbraw/zinc/63/22/35/883632235.db2.gz WEEKLWFJGGRTRN-OAHLLOKOSA-N 1 2 390.434 3.666 10 0 GHAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC=C(c2ccccc2F)CC1 ZINC000127084253 887029003 /nfs/dbraw/zinc/02/90/03/887029003.db2.gz CXJBLNZEDJTIGY-UHFFFAOYSA-N 1 2 396.466 3.687 10 0 GHAELO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@@H]2CCCc3cccnc32)C[C@@H](C)O1 ZINC000195432272 888665075 /nfs/dbraw/zinc/66/50/75/888665075.db2.gz WFGIFSTXXFHYRZ-MBOZVWFJSA-N 1 2 379.504 3.749 10 0 GHAELO C[C@H](CN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000248439302 891436648 /nfs/dbraw/zinc/43/66/48/891436648.db2.gz CLLMSFSUVZAWCC-JLZZUVOBSA-N 1 2 394.491 3.612 10 0 GHAELO C[C@H](CN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1)c1nccs1 ZINC000248439302 891436657 /nfs/dbraw/zinc/43/66/57/891436657.db2.gz CLLMSFSUVZAWCC-JLZZUVOBSA-N 1 2 394.491 3.612 10 0 GHAELO COc1ccc(C[N@@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)c(OC)c1 ZINC000014983581 210139986 /nfs/dbraw/zinc/13/99/86/210139986.db2.gz HVDMYGYZDNUGSA-UHFFFAOYSA-N 1 2 392.455 3.866 10 0 GHAELO COc1ccc(C[N@H+]2CCOc3c(O)cc(-c4cccnc4)cc3C2)c(OC)c1 ZINC000014983581 210139992 /nfs/dbraw/zinc/13/99/92/210139992.db2.gz HVDMYGYZDNUGSA-UHFFFAOYSA-N 1 2 392.455 3.866 10 0 GHAELO O=c1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)nn1CC[NH+]1CCOCC1 ZINC000031571513 209243742 /nfs/dbraw/zinc/24/37/42/209243742.db2.gz PXZDPMRCXQTANE-UHFFFAOYSA-N 1 2 395.890 3.563 10 0 GHAELO CC(C)c1nc([C@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853920 862375118 /nfs/dbraw/zinc/37/51/18/862375118.db2.gz SHBPTZPOSZXWOF-WMLDXEAASA-N 1 2 388.899 3.831 10 0 GHAELO CC(C)c1nc([C@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853920 862375132 /nfs/dbraw/zinc/37/51/32/862375132.db2.gz SHBPTZPOSZXWOF-WMLDXEAASA-N 1 2 388.899 3.831 10 0 GHAELO COc1ccccc1CC[N@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000104710423 856373430 /nfs/dbraw/zinc/37/34/30/856373430.db2.gz QBYSECWPSCUFTK-UHFFFAOYSA-N 1 2 395.484 3.928 10 0 GHAELO COc1ccccc1CC[N@@H+](C)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000104710423 856373434 /nfs/dbraw/zinc/37/34/34/856373434.db2.gz QBYSECWPSCUFTK-UHFFFAOYSA-N 1 2 395.484 3.928 10 0 GHAELO C[C@H](NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000177586117 882835274 /nfs/dbraw/zinc/83/52/74/882835274.db2.gz LHKUGLIXZJRLAB-LAUBAEHRSA-N 1 2 375.476 3.880 10 0 GHAELO O=C(Nc1ccc(-c2nccs2)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184038274 883302372 /nfs/dbraw/zinc/30/23/72/883302372.db2.gz DZDWVBCZUXYQAG-UHFFFAOYSA-N 1 2 379.489 3.949 10 0 GHAELO O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184038749 883302404 /nfs/dbraw/zinc/30/24/04/883302404.db2.gz TVQCVEIJIUQVOC-UHFFFAOYSA-N 1 2 394.475 3.867 10 0 GHAELO Cc1ccc(Br)cc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184077882 883315658 /nfs/dbraw/zinc/31/56/58/883315658.db2.gz LXINZWWXASWTIG-UHFFFAOYSA-N 1 2 389.297 3.897 10 0 GHAELO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)N1CCSC[C@@H]1c1nccs1 ZINC000184157763 883325642 /nfs/dbraw/zinc/32/56/42/883325642.db2.gz VGMHVZUYHQUYPV-ZNNBYXKUSA-N 1 2 382.514 3.659 10 0 GHAELO COc1ccccc1-c1nnc(C[NH2+]C2(c3cccc(F)c3)CCOCC2)o1 ZINC000131888869 887585729 /nfs/dbraw/zinc/58/57/29/887585729.db2.gz WVVPXBDCGNTLFN-UHFFFAOYSA-N 1 2 383.423 3.680 10 0 GHAELO CC(C)c1nnc(/C=C/C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000245625945 889088183 /nfs/dbraw/zinc/08/81/83/889088183.db2.gz CGJDHXHKVITCFA-FVQGUVRESA-N 1 2 392.862 3.560 10 0 GHAELO CC(C)c1nnc(/C=C/C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)o1 ZINC000245625945 889088198 /nfs/dbraw/zinc/08/81/98/889088198.db2.gz CGJDHXHKVITCFA-FVQGUVRESA-N 1 2 392.862 3.560 10 0 GHAELO COCC[N@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1cccc(C)c1C ZINC000012974310 210038531 /nfs/dbraw/zinc/03/85/31/210038531.db2.gz OZXKUPBFKRVESG-UHFFFAOYSA-N 1 2 390.911 3.923 10 0 GHAELO COCC[N@@H+](CCOc1ccc(Cl)cc1)CC(=O)Nc1cccc(C)c1C ZINC000012974310 210038534 /nfs/dbraw/zinc/03/85/34/210038534.db2.gz OZXKUPBFKRVESG-UHFFFAOYSA-N 1 2 390.911 3.923 10 0 GHAELO O=C(NCc1ccc[nH+]c1N1CCc2ccccc2C1)c1cccc2c1OCC2 ZINC000067472850 211010648 /nfs/dbraw/zinc/01/06/48/211010648.db2.gz ATNVUUORZWOUKL-UHFFFAOYSA-N 1 2 385.467 3.509 10 0 GHAELO COc1ccccc1N1CC[NH+]([C@H]2CCCN(Cc3cc(C)c(C)o3)C2)CC1 ZINC000020534282 210345961 /nfs/dbraw/zinc/34/59/61/210345961.db2.gz DHFXSQANPLSCRA-FQEVSTJZSA-N 1 2 383.536 3.692 10 0 GHAELO C[NH+](C)Cc1nnc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 ZINC000583615191 570800443 /nfs/dbraw/zinc/80/04/43/570800443.db2.gz PVQUAZOAOZKDFS-ZACQAIPSSA-N 1 2 388.899 3.642 10 0 GHAELO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)cc2)cc1 ZINC000328957387 854616216 /nfs/dbraw/zinc/61/62/16/854616216.db2.gz NYFMKZIBPAIWOE-NHCUHLMSSA-N 1 2 381.476 3.724 10 0 GHAELO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@@H]4C3)cc2)cc1 ZINC000328957387 854616224 /nfs/dbraw/zinc/61/62/24/854616224.db2.gz NYFMKZIBPAIWOE-NHCUHLMSSA-N 1 2 381.476 3.724 10 0 GHAELO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC000193576423 855919435 /nfs/dbraw/zinc/91/94/35/855919435.db2.gz YOCOQEQJYWQUEC-UXHICEINSA-N 1 2 384.520 3.583 10 0 GHAELO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC000193576423 855919439 /nfs/dbraw/zinc/91/94/39/855919439.db2.gz YOCOQEQJYWQUEC-UXHICEINSA-N 1 2 384.520 3.583 10 0 GHAELO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H]([NH+]4CCOCC4)C3)cc2)c1 ZINC000173778657 860443060 /nfs/dbraw/zinc/44/30/60/860443060.db2.gz SANNBONQPLVIPO-IBGZPJMESA-N 1 2 381.476 3.726 10 0 GHAELO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)cc2)cc1 ZINC000140483719 864025704 /nfs/dbraw/zinc/02/57/04/864025704.db2.gz ICHVLWWWPWWMGV-OFNKIYASSA-N 1 2 399.556 3.955 10 0 GHAELO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@@]4(O)CCCC[C@@H]4C3)cc2)cc1 ZINC000140483719 864025723 /nfs/dbraw/zinc/02/57/23/864025723.db2.gz ICHVLWWWPWWMGV-OFNKIYASSA-N 1 2 399.556 3.955 10 0 GHAELO C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)c2cccc(NC(=O)C3CC3)c2)CC1 ZINC000103975006 864141333 /nfs/dbraw/zinc/14/13/33/864141333.db2.gz RULAXKSYIHDNHE-INIZCTEOSA-N 1 2 395.478 3.693 10 0 GHAELO O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177390514 882792271 /nfs/dbraw/zinc/79/22/71/882792271.db2.gz SEIVPNGERNRKNV-GOSISDBHSA-N 1 2 395.438 3.584 10 0 GHAELO CCCCn1c(SCC(=O)Nc2ccccc2F)nnc1[C@@H](CC)[NH+](C)C ZINC000003548868 879062109 /nfs/dbraw/zinc/06/21/09/879062109.db2.gz MZEYSJSJXGDJSK-MRXNPFEDSA-N 1 2 393.532 3.961 10 0 GHAELO Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184072713 883315313 /nfs/dbraw/zinc/31/53/13/883315313.db2.gz GLAQYTPRJDDDKM-UHFFFAOYSA-N 1 2 395.507 3.729 10 0 GHAELO O=C(Nc1ccc2oc(C3CC3)nc2c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184060423 883332038 /nfs/dbraw/zinc/33/20/38/883332038.db2.gz OZHCUAJQYGVPBD-UHFFFAOYSA-N 1 2 377.448 3.844 10 0 GHAELO COC(=O)[C@@H](C)C[N@H+](Cc1noc(-c2ccc(OC)cc2)n1)Cc1ccccc1 ZINC000102515418 883508254 /nfs/dbraw/zinc/50/82/54/883508254.db2.gz BAAHSJNVMWNUMG-INIZCTEOSA-N 1 2 395.459 3.557 10 0 GHAELO COC(=O)[C@@H](C)C[N@@H+](Cc1noc(-c2ccc(OC)cc2)n1)Cc1ccccc1 ZINC000102515418 883508266 /nfs/dbraw/zinc/50/82/66/883508266.db2.gz BAAHSJNVMWNUMG-INIZCTEOSA-N 1 2 395.459 3.557 10 0 GHAELO O=C(c1cnc(Cc2ccccc2F)s1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000185928502 883589997 /nfs/dbraw/zinc/58/99/97/883589997.db2.gz NQZAUWPKJRYWQT-UHFFFAOYSA-N 1 2 396.491 3.621 10 0 GHAELO O=C(NC[C@@H]1CCCC[N@@H+]1Cc1nc(-c2ccoc2)no1)Nc1ccccc1 ZINC000105607977 884821581 /nfs/dbraw/zinc/82/15/81/884821581.db2.gz MFVKGJDMDKKJSC-KRWDZBQOSA-N 1 2 381.436 3.506 10 0 GHAELO O=C(NC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1)Nc1ccccc1 ZINC000105607977 884821590 /nfs/dbraw/zinc/82/15/90/884821590.db2.gz MFVKGJDMDKKJSC-KRWDZBQOSA-N 1 2 381.436 3.506 10 0 GHAELO CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000119019519 886422391 /nfs/dbraw/zinc/42/23/91/886422391.db2.gz XVNSJRHBZHIUNR-MOPGFXCFSA-N 1 2 398.507 3.530 10 0 GHAELO O=C(Nc1ccc(-c2[nH]cc[nH+]2)cc1)C1CCN(C(=O)c2cccs2)CC1 ZINC000195175574 888651548 /nfs/dbraw/zinc/65/15/48/888651548.db2.gz HJIAOIMBJMMZDX-UHFFFAOYSA-N 1 2 380.473 3.629 10 0 GHAELO FC(F)(F)c1ccc(-n2nnnc2C[N@@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195359054 888656342 /nfs/dbraw/zinc/65/63/42/888656342.db2.gz CUJWPNZFMGVVQC-GFCCVEGCSA-N 1 2 394.426 3.517 10 0 GHAELO FC(F)(F)c1ccc(-n2nnnc2C[N@H+]2CCC[C@@H](c3nccs3)C2)cc1 ZINC000195359054 888656347 /nfs/dbraw/zinc/65/63/47/888656347.db2.gz CUJWPNZFMGVVQC-GFCCVEGCSA-N 1 2 394.426 3.517 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245663951 889186883 /nfs/dbraw/zinc/18/68/83/889186883.db2.gz AOFKUSRYBITJGP-SIKLNZKXSA-N 1 2 398.457 3.725 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)CCCc2nc3ccccc3[nH]2)[C@H]1c1ccc(F)c(F)c1 ZINC000245663951 889186896 /nfs/dbraw/zinc/18/68/96/889186896.db2.gz AOFKUSRYBITJGP-SIKLNZKXSA-N 1 2 398.457 3.725 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000249210603 891501343 /nfs/dbraw/zinc/50/13/43/891501343.db2.gz AJDKFLWWWGECLE-JXFKEZNVSA-N 1 2 391.462 3.745 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)CCc2ncc(C(C)(C)C)o2)[C@@H]1c1ccc(F)c(F)c1 ZINC000249210603 891501352 /nfs/dbraw/zinc/50/13/52/891501352.db2.gz AJDKFLWWWGECLE-JXFKEZNVSA-N 1 2 391.462 3.745 10 0 GHAELO COC(=O)[C@@H]1Cc2[nH+]cn(Cc3ccc(Cl)cc3)c2CN1Cc1ccccc1 ZINC000015707032 291132359 /nfs/dbraw/zinc/13/23/59/291132359.db2.gz UUEWMOKBNPDPCE-FQEVSTJZSA-N 1 2 395.890 3.685 10 0 biogenic GHAELO Cc1ccc(Nc2[nH+]cnc(N3CCN(c4ccc(F)cc4)CC3)c2N)cc1 ZINC000040782089 132406746 /nfs/dbraw/zinc/40/67/46/132406746.db2.gz SPNDYQXJSAQRJH-UHFFFAOYSA-N 1 2 378.455 3.577 10 0 GHAELO Cc1oc2c(c1C(=O)NCc1ccccn1)C[N@@H+](Cc1cccc(F)c1)CC2 ZINC000065291995 570784413 /nfs/dbraw/zinc/78/44/13/570784413.db2.gz ARZVYHRYVKIGHH-UHFFFAOYSA-N 1 2 379.435 3.610 10 0 GHAELO Cc1oc2c(c1C(=O)NCc1ccccn1)C[N@H+](Cc1cccc(F)c1)CC2 ZINC000065291995 570784417 /nfs/dbraw/zinc/78/44/17/570784417.db2.gz ARZVYHRYVKIGHH-UHFFFAOYSA-N 1 2 379.435 3.610 10 0 GHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000106208593 840761588 /nfs/dbraw/zinc/76/15/88/840761588.db2.gz XMWFPMXLDSFTSX-OAHLLOKOSA-N 1 2 396.564 3.840 10 0 GHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000106208593 840761593 /nfs/dbraw/zinc/76/15/93/840761593.db2.gz XMWFPMXLDSFTSX-OAHLLOKOSA-N 1 2 396.564 3.840 10 0 GHAELO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)[nH]1 ZINC000162491083 843264811 /nfs/dbraw/zinc/26/48/11/843264811.db2.gz VYIUWAHYXGEYGM-XOBRGWDASA-N 1 2 390.491 3.837 10 0 GHAELO C[C@H]1CCCN(c2cc(NC3CCN(C(=O)c4ccccc4F)CC3)[nH+]cn2)C1 ZINC000110212031 866612924 /nfs/dbraw/zinc/61/29/24/866612924.db2.gz AVDBDNPRYCVJCD-INIZCTEOSA-N 1 2 397.498 3.569 10 0 GHAELO C[C@H]1CCCN(c2cc(NC3CCN(C(=O)c4ccccc4F)CC3)nc[nH+]2)C1 ZINC000110212031 866612932 /nfs/dbraw/zinc/61/29/32/866612932.db2.gz AVDBDNPRYCVJCD-INIZCTEOSA-N 1 2 397.498 3.569 10 0 GHAELO c1[nH]c([C@@H]2CCC[N@@H+](Cc3noc(C4CCOCC4)n3)C2)nc1-c1ccccc1 ZINC000114481809 869216005 /nfs/dbraw/zinc/21/60/05/869216005.db2.gz WZWZXUYALKIPOI-GOSISDBHSA-N 1 2 393.491 3.733 10 0 GHAELO c1[nH]c([C@@H]2CCC[N@H+](Cc3noc(C4CCOCC4)n3)C2)nc1-c1ccccc1 ZINC000114481809 869216018 /nfs/dbraw/zinc/21/60/18/869216018.db2.gz WZWZXUYALKIPOI-GOSISDBHSA-N 1 2 393.491 3.733 10 0 GHAELO O=C(CCc1nc2ccccc2n1-c1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754959 882823697 /nfs/dbraw/zinc/82/36/97/882823697.db2.gz RBGJQTYXWKSRJM-HXUWFJFHSA-N 1 2 399.498 3.846 10 0 GHAELO O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cc1 ZINC000177813998 882829983 /nfs/dbraw/zinc/82/99/83/882829983.db2.gz KJRMTFYQTZUWKZ-FQEVSTJZSA-N 1 2 389.459 3.832 10 0 GHAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC=C(c2cccs2)CC1 ZINC000119283985 875046552 /nfs/dbraw/zinc/04/65/52/875046552.db2.gz RSHNSCXUEQZVRL-UHFFFAOYSA-N 1 2 384.505 3.609 10 0 GHAELO FC(F)(F)c1cc(Br)cc(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000122537020 879060027 /nfs/dbraw/zinc/06/00/27/879060027.db2.gz GQWOZBZGYJKZKV-UHFFFAOYSA-N 1 2 389.219 3.897 10 0 GHAELO COc1cc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)ccc1OC(C)C ZINC000186275075 883634641 /nfs/dbraw/zinc/63/46/41/883634641.db2.gz LVJJHIOKQBTDJF-UHFFFAOYSA-N 1 2 384.480 3.622 10 0 GHAELO O=C(Cc1csc(-c2cccs2)n1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186390868 883654693 /nfs/dbraw/zinc/65/46/93/883654693.db2.gz LQGWMHQEHWWRHJ-UHFFFAOYSA-N 1 2 384.530 3.548 10 0 GHAELO COc1ccc(Br)cc1/C=C/C(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000101864035 885959361 /nfs/dbraw/zinc/95/93/61/885959361.db2.gz BPGFBPYRXZPOGM-GORDUTHDSA-N 1 2 390.281 3.531 10 0 GHAELO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000117974544 886398844 /nfs/dbraw/zinc/39/88/44/886398844.db2.gz RRMOWJQSPQYPTN-NRFANRHFSA-N 1 2 379.435 3.597 10 0 GHAELO O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000125204430 886838818 /nfs/dbraw/zinc/83/88/18/886838818.db2.gz SZVMFHZXQCMWEY-UHFFFAOYSA-N 1 2 396.491 3.626 10 0 GHAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccccc2OC2CCC2)C1 ZINC000141294860 888480647 /nfs/dbraw/zinc/48/06/47/888480647.db2.gz KEVZERCGGGULSL-KRWDZBQOSA-N 1 2 382.508 3.516 10 0 GHAELO C[C@@H](c1cccnc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245533034 888853367 /nfs/dbraw/zinc/85/33/67/888853367.db2.gz IRIQPXVROUQVCF-PXNSSMCTSA-N 1 2 395.503 3.599 10 0 GHAELO C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245533034 888853381 /nfs/dbraw/zinc/85/33/81/888853381.db2.gz IRIQPXVROUQVCF-PXNSSMCTSA-N 1 2 395.503 3.599 10 0 GHAELO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(Cl)n1 ZINC000248400745 891432379 /nfs/dbraw/zinc/43/23/79/891432379.db2.gz LEBVKCGLARUDLS-WBVHZDCISA-N 1 2 379.838 3.805 10 0 GHAELO Cc1cc(C)c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(Cl)n1 ZINC000248400745 891432389 /nfs/dbraw/zinc/43/23/89/891432389.db2.gz LEBVKCGLARUDLS-WBVHZDCISA-N 1 2 379.838 3.805 10 0 GHAELO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000333847496 902368781 /nfs/dbraw/zinc/36/87/81/902368781.db2.gz WNDYSQTXECHUOH-QKLQHJQFSA-N 1 2 380.492 3.511 10 0 GHAELO CN1CC[NH+](CCCN2c3ccccc3[S@@](=O)c3ccc(Cl)cc32)CC1 ZINC000021981328 570300797 /nfs/dbraw/zinc/30/07/97/570300797.db2.gz AZGYHFQQUZPAFZ-SANMLTNESA-N 1 2 389.952 3.596 10 0 in-vitro GHAELO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1 ZINC000275295072 836607229 /nfs/dbraw/zinc/60/72/29/836607229.db2.gz BEJQLAUUWHJPNP-QILLFSRXSA-N 1 2 386.496 3.555 10 0 GHAELO CCn1c2cccc(F)c2nc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000103139222 837256507 /nfs/dbraw/zinc/25/65/07/837256507.db2.gz TYTXJAUXEJWBFP-UHFFFAOYSA-N 1 2 386.515 3.810 10 0 GHAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(NC(=O)NC3CC3)cc2)c2ccccc2)[nH]1 ZINC000162491354 843264730 /nfs/dbraw/zinc/26/47/30/843264730.db2.gz VYIUWAHYXGEYGM-VLIAUNLRSA-N 1 2 390.491 3.837 10 0 GHAELO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)c2ccccc2)[nH]1 ZINC000162492659 843265409 /nfs/dbraw/zinc/26/54/09/843265409.db2.gz HYOZPKIDGCAXOA-KUHUBIRLSA-N 1 2 377.448 3.510 10 0 GHAELO CO[C@H](C)c1nc(C)c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)s1 ZINC000328666738 854496457 /nfs/dbraw/zinc/49/64/57/854496457.db2.gz CZZKNSFXHLKWHK-DOMZBBRYSA-N 1 2 379.913 3.599 10 0 GHAELO COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc4c(c3)CCC(=O)N4)n2)ccc1C ZINC000179989789 883043148 /nfs/dbraw/zinc/04/31/48/883043148.db2.gz KRNZASQKGNVYBS-AWEZNQCLSA-N 1 2 392.459 3.789 10 0 GHAELO O=C(c1cccc(-n2cc[nH+]c2)c1)N1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000122654656 879240546 /nfs/dbraw/zinc/24/05/46/879240546.db2.gz DEUIPWQVZGEXLC-RTWAWAEBSA-N 1 2 379.435 3.740 10 0 GHAELO Cc1ccc(-c2cc(C(=O)N3CCC[C@H](Cc4[nH+]ccn4C)C3)[nH]n2)c(C)c1 ZINC000186613591 883675550 /nfs/dbraw/zinc/67/55/50/883675550.db2.gz QOMREAYBCAONEA-QGZVFWFLSA-N 1 2 377.492 3.522 10 0 GHAELO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000246785032 891307531 /nfs/dbraw/zinc/30/75/31/891307531.db2.gz MADRXKNYGJYUDB-UYAOXDASSA-N 1 2 376.460 3.565 10 0 GHAELO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000246785032 891307550 /nfs/dbraw/zinc/30/75/50/891307550.db2.gz MADRXKNYGJYUDB-UYAOXDASSA-N 1 2 376.460 3.565 10 0 GHAELO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000246784989 891307717 /nfs/dbraw/zinc/30/77/17/891307717.db2.gz MADRXKNYGJYUDB-QUCCMNQESA-N 1 2 376.460 3.565 10 0 GHAELO COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000246784989 891307730 /nfs/dbraw/zinc/30/77/30/891307730.db2.gz MADRXKNYGJYUDB-QUCCMNQESA-N 1 2 376.460 3.565 10 0 GHAELO O=C(c1ccccn1)N1CCC[C@]2(C1)Nc1ccccc1NC2=[NH+]C1CCCC1 ZINC000065259988 570761767 /nfs/dbraw/zinc/76/17/67/570761767.db2.gz KESWULVMOIHOFD-HSZRJFAPSA-N 1 2 389.503 3.744 10 0 GHAELO CC(C)c1[nH+]c2c(n1C)CCN([C@H](C)C(=O)Nc1nc3ccccc3s1)C2 ZINC000106371848 840929809 /nfs/dbraw/zinc/92/98/09/840929809.db2.gz BEFBEYCSOIVWNG-CYBMUJFWSA-N 1 2 383.521 3.539 10 0 GHAELO O=C(NCc1cn2c([nH+]1)CCCC2)N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000408346008 842658177 /nfs/dbraw/zinc/65/81/77/842658177.db2.gz NYDWYLVKIPJKPZ-UHFFFAOYSA-N 1 2 379.291 3.794 10 0 GHAELO C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000120736909 851713505 /nfs/dbraw/zinc/71/35/05/851713505.db2.gz LUMAQJNZZBIMIZ-QLIIJSOBSA-N 1 2 380.492 3.580 10 0 GHAELO O=C(Nc1ccc(OCC2CCCCC2)cc1)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000173899162 860444307 /nfs/dbraw/zinc/44/43/07/860444307.db2.gz GJCXIPPPWSDKGU-HXUWFJFHSA-N 1 2 387.524 3.584 10 0 GHAELO CCO[C@H](C)c1nc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cs1 ZINC000172317582 882198639 /nfs/dbraw/zinc/19/86/39/882198639.db2.gz SRFOZNDKOWSCMG-MRXNPFEDSA-N 1 2 379.570 3.855 10 0 GHAELO O=c1[nH]c(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccsc21 ZINC000114481771 869214741 /nfs/dbraw/zinc/21/47/41/869214741.db2.gz GMIVGHJSAPHGIU-HNNXBMFYSA-N 1 2 391.500 3.754 10 0 GHAELO O=c1[nH]c(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccsc21 ZINC000114481771 869214753 /nfs/dbraw/zinc/21/47/53/869214753.db2.gz GMIVGHJSAPHGIU-HNNXBMFYSA-N 1 2 391.500 3.754 10 0 GHAELO Fc1cccc(C[C@@H]2CCC[N@@H+]2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000103264065 871558576 /nfs/dbraw/zinc/55/85/76/871558576.db2.gz KLGYWMVEZFRWDB-FQEVSTJZSA-N 1 2 397.523 3.855 10 0 GHAELO Fc1cccc(C[C@@H]2CCC[N@H+]2Cn2ncn(CCc3ccccn3)c2=S)c1 ZINC000103264065 871558594 /nfs/dbraw/zinc/55/85/94/871558594.db2.gz KLGYWMVEZFRWDB-FQEVSTJZSA-N 1 2 397.523 3.855 10 0 GHAELO Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 ZINC000181103503 883122566 /nfs/dbraw/zinc/12/25/66/883122566.db2.gz MXBZPRCIPZWTID-UHFFFAOYSA-N 1 2 388.422 3.721 10 0 GHAELO O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184053114 883331217 /nfs/dbraw/zinc/33/12/17/883331217.db2.gz FJFYFNJKVOZBFL-UHFFFAOYSA-N 1 2 380.370 3.724 10 0 GHAELO COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1C ZINC000184060372 883332631 /nfs/dbraw/zinc/33/26/31/883332631.db2.gz UGRWRJVNMLRQCS-MLGOLLRUSA-N 1 2 390.871 3.747 10 0 GHAELO O=C(CCc1ccccc1Br)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186432092 883644884 /nfs/dbraw/zinc/64/48/84/883644884.db2.gz ZPHKUPJOTKSPDQ-UHFFFAOYSA-N 1 2 388.309 3.516 10 0 GHAELO O=C(c1cc2c(cccc2OC(F)F)[nH]1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186393697 883654798 /nfs/dbraw/zinc/65/47/98/883654798.db2.gz DWKPTGRHDWCAHZ-UHFFFAOYSA-N 1 2 386.402 3.517 10 0 GHAELO O=C(CC[N@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000186575424 883664478 /nfs/dbraw/zinc/66/44/78/883664478.db2.gz STHAJHWCEBFIFF-UHFFFAOYSA-N 1 2 390.405 3.525 10 0 GHAELO O=C(CC[N@@H+]1CCCN(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1F ZINC000186575424 883664482 /nfs/dbraw/zinc/66/44/82/883664482.db2.gz STHAJHWCEBFIFF-UHFFFAOYSA-N 1 2 390.405 3.525 10 0 GHAELO COc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nccs3)C2)c(OC)cc1Cl ZINC000195345326 888681388 /nfs/dbraw/zinc/68/13/88/888681388.db2.gz FQUNENVZQNAYBE-LBPRGKRZSA-N 1 2 395.912 3.632 10 0 GHAELO COc1cc(NC(=O)C[N@H+]2CCC[C@H](c3nccs3)C2)c(OC)cc1Cl ZINC000195345326 888681398 /nfs/dbraw/zinc/68/13/98/888681398.db2.gz FQUNENVZQNAYBE-LBPRGKRZSA-N 1 2 395.912 3.632 10 0 GHAELO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000183071125 907322796 /nfs/dbraw/zinc/32/27/96/907322796.db2.gz NUWIZQVFHFCZNG-SFHVURJKSA-N 1 2 393.495 3.932 10 0 GHAELO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@H]2c2nnc[nH]2)c1 ZINC000183071125 907322817 /nfs/dbraw/zinc/32/28/17/907322817.db2.gz NUWIZQVFHFCZNG-SFHVURJKSA-N 1 2 393.495 3.932 10 0 GHAELO O=C(C[NH+]1CCN(c2cccc(Cl)c2)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000069593485 136165178 /nfs/dbraw/zinc/16/51/78/136165178.db2.gz JTLRCTRJKSLMRQ-UHFFFAOYSA-N 1 2 387.955 3.547 10 0 GHAELO CSc1cccc(NC(=O)N2CC[NH+](Cc3ccc4nccnc4c3)CC2)c1 ZINC000021648974 221536178 /nfs/dbraw/zinc/53/61/78/221536178.db2.gz ZWAZWEOVYKQUAC-UHFFFAOYSA-N 1 2 393.516 3.701 10 0 GHAELO CC[C@@H](C)[N@H+](Cc1nc(C(=O)N(C)CC)co1)Cc1ccc(OC)cc1OC ZINC000036082593 570528852 /nfs/dbraw/zinc/52/88/52/570528852.db2.gz NNLGLPLDSJGAOE-OAHLLOKOSA-N 1 2 389.496 3.584 10 0 GHAELO CC[C@@H](C)[N@@H+](Cc1nc(C(=O)N(C)CC)co1)Cc1ccc(OC)cc1OC ZINC000036082593 570528854 /nfs/dbraw/zinc/52/88/54/570528854.db2.gz NNLGLPLDSJGAOE-OAHLLOKOSA-N 1 2 389.496 3.584 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCOc3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000245728390 844081764 /nfs/dbraw/zinc/08/17/64/844081764.db2.gz XXSATFQIOJBFPG-CMKODMSKSA-N 1 2 387.430 3.533 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)N[C@H]2CCOc3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000245728390 844081772 /nfs/dbraw/zinc/08/17/72/844081772.db2.gz XXSATFQIOJBFPG-CMKODMSKSA-N 1 2 387.430 3.533 10 0 GHAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000153201044 842272334 /nfs/dbraw/zinc/27/23/34/842272334.db2.gz TVPPWAWCFKDAGZ-OPAMFIHVSA-N 1 2 395.551 3.503 10 0 GHAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]21 ZINC000328968177 854636293 /nfs/dbraw/zinc/63/62/93/854636293.db2.gz UBXGSIOKBKKNCT-VQTJNVASSA-N 1 2 385.439 3.555 10 0 GHAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@@H]21 ZINC000328968177 854636300 /nfs/dbraw/zinc/63/63/00/854636300.db2.gz UBXGSIOKBKKNCT-VQTJNVASSA-N 1 2 385.439 3.555 10 0 GHAELO Cc1c2ccccc2oc1[C@@H](NC(=O)N1CC[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC000173909472 860444354 /nfs/dbraw/zinc/44/43/54/860444354.db2.gz AJCBCTAUEGEMAS-PXNSSMCTSA-N 1 2 385.508 3.554 10 0 GHAELO COc1cc(Br)cc(C)c1NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000176340440 882680854 /nfs/dbraw/zinc/68/08/54/882680854.db2.gz UHMOKTPFKQEMTH-AWEZNQCLSA-N 1 2 393.285 3.659 10 0 GHAELO O=C(/C=C/c1ccc(Oc2cccnc2)c(F)c1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177749993 882823730 /nfs/dbraw/zinc/82/37/30/882823730.db2.gz MIBRVBNQHRBRCS-JHTBKMLMSA-N 1 2 392.434 3.914 10 0 GHAELO C[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccc(-c2ccncc2)cc1 ZINC000177586158 882835160 /nfs/dbraw/zinc/83/51/60/882835160.db2.gz LHKUGLIXZJRLAB-UTKZUKDTSA-N 1 2 375.476 3.880 10 0 GHAELO O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186505935 883659734 /nfs/dbraw/zinc/65/97/34/883659734.db2.gz CEYGCTDYWJBKGH-UHFFFAOYSA-N 1 2 395.434 3.745 10 0 GHAELO COc1cc(-c2nc(C[NH+]3CCC(Cc4nccn4C)CC3)cs2)ccc1O ZINC000112345572 886259719 /nfs/dbraw/zinc/25/97/19/886259719.db2.gz IZIBFSNEZPMMLM-UHFFFAOYSA-N 1 2 398.532 3.713 10 0 GHAELO O[C@H](C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1)c1ccccc1C(F)(F)F ZINC000245781909 889713088 /nfs/dbraw/zinc/71/30/88/889713088.db2.gz VDUODJYOLLEXBO-CZUORRHYSA-N 1 2 380.414 3.614 10 0 GHAELO C[N@@H+]1CCn2c(-c3ccc(F)cc3)cnc2C12CCN(Cc1nccs1)CC2 ZINC000096263353 222406641 /nfs/dbraw/zinc/40/66/41/222406641.db2.gz XTRVNTAQFBUOJH-UHFFFAOYSA-N 1 2 397.523 3.582 10 0 GHAELO C[N@H+]1CCn2c(-c3ccc(F)cc3)cnc2C12CCN(Cc1nccs1)CC2 ZINC000096263353 222406644 /nfs/dbraw/zinc/40/66/44/222406644.db2.gz XTRVNTAQFBUOJH-UHFFFAOYSA-N 1 2 397.523 3.582 10 0 GHAELO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853919 862374684 /nfs/dbraw/zinc/37/46/84/862374684.db2.gz SHBPTZPOSZXWOF-RHSMWYFYSA-N 1 2 388.899 3.831 10 0 GHAELO CC(C)c1nc([C@@H]2CCC[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853919 862374702 /nfs/dbraw/zinc/37/47/02/862374702.db2.gz SHBPTZPOSZXWOF-RHSMWYFYSA-N 1 2 388.899 3.831 10 0 GHAELO CO[C@@H](C)c1nc(C)c(C(=O)N2CC[NH2+][C@H](c3cccc(Cl)c3)C2)s1 ZINC000328666741 854496827 /nfs/dbraw/zinc/49/68/27/854496827.db2.gz CZZKNSFXHLKWHK-WFASDCNBSA-N 1 2 379.913 3.599 10 0 GHAELO O=C(Nc1ccc(Oc2ccc(F)cc2)nc1)N1CCC[C@H]1Cn1cc[nH+]c1 ZINC000176344754 882680913 /nfs/dbraw/zinc/68/09/13/882680913.db2.gz SGODGPDAZQSENI-KRWDZBQOSA-N 1 2 381.411 3.906 10 0 GHAELO COc1c(C)c[nH+]c(CN(C)C(=O)NC2CCN(c3cccs3)CC2)c1C ZINC000176629638 882720593 /nfs/dbraw/zinc/72/05/93/882720593.db2.gz XABOQYWCQNVZKQ-UHFFFAOYSA-N 1 2 388.537 3.579 10 0 GHAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000119553023 875314839 /nfs/dbraw/zinc/31/48/39/875314839.db2.gz QTVXBKOUOFXBCY-QGZVFWFLSA-N 1 2 380.517 3.562 10 0 GHAELO O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184083761 883314594 /nfs/dbraw/zinc/31/45/94/883314594.db2.gz VKORRTUXXHJSFJ-UHFFFAOYSA-N 1 2 383.471 3.565 10 0 GHAELO C[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1cccc(N2CCCC2)c1 ZINC000186534357 883661664 /nfs/dbraw/zinc/66/16/64/883661664.db2.gz GJRJFDMOELVXJB-IBGZPJMESA-N 1 2 393.535 3.665 10 0 GHAELO Cc1cnc([C@H](C)CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s1 ZINC000248633299 891448681 /nfs/dbraw/zinc/44/86/81/891448681.db2.gz PPSDQZTVHWXTBT-ZMYBRWDISA-N 1 2 395.532 3.980 10 0 GHAELO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)[C@H]2CCCc3cccnc32)C[C@@H](C)O1 ZINC000248890810 891479508 /nfs/dbraw/zinc/47/95/08/891479508.db2.gz WFGIFSTXXFHYRZ-HLIPFELVSA-N 1 2 379.504 3.749 10 0 GHAELO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+](Cc2cnc(Cl)nc2Cl)C1 ZINC000095087603 222330919 /nfs/dbraw/zinc/33/09/19/222330919.db2.gz LJXMLDLWRISVQZ-LLVKDONJSA-N 1 2 375.300 3.520 10 0 GHAELO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](Cc2cnc(Cl)nc2Cl)C1 ZINC000095087603 222330920 /nfs/dbraw/zinc/33/09/20/222330920.db2.gz LJXMLDLWRISVQZ-LLVKDONJSA-N 1 2 375.300 3.520 10 0 GHAELO O=C(OCc1ccccc1)[C@@H](CO)[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000035315342 570551586 /nfs/dbraw/zinc/55/15/86/570551586.db2.gz IZGCKWHDNJEEAX-HSZRJFAPSA-N 1 2 375.468 3.793 10 0 in-vitro GHAELO CC(=O)N(Cc1ccsc1)[C@@H]1CC12CCN(c1cc[nH+]c(C3CC3)n1)CC2 ZINC000275820883 570700092 /nfs/dbraw/zinc/70/00/92/570700092.db2.gz UTYVNBUUHVCHTD-GOSISDBHSA-N 1 2 382.533 3.823 10 0 GHAELO C[N@H+](Cc1cc[nH]n1)Cc1cccc(-c2nc(CC3CCCC3)cc(=O)[nH]2)c1 ZINC000082039392 570787166 /nfs/dbraw/zinc/78/71/66/570787166.db2.gz BPIGRUHIVUEOQB-UHFFFAOYSA-N 1 2 377.492 3.525 10 0 GHAELO C[N@@H+](Cc1cc[nH]n1)Cc1cccc(-c2nc(CC3CCCC3)cc(=O)[nH]2)c1 ZINC000082039392 570787168 /nfs/dbraw/zinc/78/71/68/570787168.db2.gz BPIGRUHIVUEOQB-UHFFFAOYSA-N 1 2 377.492 3.525 10 0 GHAELO Clc1ccc(-c2cc(-c3nc([C@@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)n[nH]2)cc1 ZINC000329748255 835860446 /nfs/dbraw/zinc/86/04/46/835860446.db2.gz ZWBBPDFUJPVLNL-YOEHRIQHSA-N 1 2 385.855 3.706 10 0 GHAELO Clc1ccc(-c2cc(-c3nc([C@@H]4C[N@H+]5CCCC[C@H]5CO4)no3)n[nH]2)cc1 ZINC000329748255 835860450 /nfs/dbraw/zinc/86/04/50/835860450.db2.gz ZWBBPDFUJPVLNL-YOEHRIQHSA-N 1 2 385.855 3.706 10 0 GHAELO Cc1nn(C)c(C)c1C[NH+]1CCN(C(=O)N[C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000153201143 842272349 /nfs/dbraw/zinc/27/23/49/842272349.db2.gz TVPPWAWCFKDAGZ-ZHRRBRCNSA-N 1 2 395.551 3.503 10 0 GHAELO C[C@H](NC(=O)N[C@H]1CCO[C@@H](c2c[nH+]cn2C)C1)C12CC3CC(CC(C3)C1)C2 ZINC000333010902 845519814 /nfs/dbraw/zinc/51/98/14/845519814.db2.gz RHCKBSYOFLRRNQ-RWMNUFKLSA-N 1 2 386.540 3.544 10 0 GHAELO Cc1nnc(C[N@@H+](C[C@H](O)COc2cccc3ccccc32)C(C)C)n1C1CC1 ZINC000104964854 856452953 /nfs/dbraw/zinc/45/29/53/856452953.db2.gz TXQSGZMYZBRGHA-FQEVSTJZSA-N 1 2 394.519 3.725 10 0 GHAELO Cc1nnc(C[N@H+](C[C@H](O)COc2cccc3ccccc32)C(C)C)n1C1CC1 ZINC000104964854 856452958 /nfs/dbraw/zinc/45/29/58/856452958.db2.gz TXQSGZMYZBRGHA-FQEVSTJZSA-N 1 2 394.519 3.725 10 0 GHAELO CC(=O)N1CC[C@H](Nc2cc(N3CCCCC3)nc[nH+]2)c2ccc(F)cc2C1 ZINC000302184576 865754634 /nfs/dbraw/zinc/75/46/34/865754634.db2.gz GUEZSLUJZJIUQC-IBGZPJMESA-N 1 2 383.471 3.511 10 0 GHAELO CC(=O)N1CC[C@H](Nc2cc(N3CCCCC3)[nH+]cn2)c2ccc(F)cc2C1 ZINC000302184576 865754637 /nfs/dbraw/zinc/75/46/37/865754637.db2.gz GUEZSLUJZJIUQC-IBGZPJMESA-N 1 2 383.471 3.511 10 0 GHAELO C[C@@H](NC(=O)N1CCC[C@@H](c2nccs2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173456922 882362523 /nfs/dbraw/zinc/36/25/23/882362523.db2.gz IPILUWJHGBYWKR-NVXWUHKLSA-N 1 2 381.505 3.979 10 0 GHAELO Cc1cc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)nn1-c1cccc(Cl)c1 ZINC000180345201 883050781 /nfs/dbraw/zinc/05/07/81/883050781.db2.gz RSRPNROFSLZLEM-KRWDZBQOSA-N 1 2 384.871 3.727 10 0 GHAELO COc1cc(C[N@@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OCc1c(C)noc1C ZINC000121283703 876722412 /nfs/dbraw/zinc/72/24/12/876722412.db2.gz GYOAKKKKCNXIGC-GOSISDBHSA-N 1 2 396.491 3.982 10 0 GHAELO COc1cc(C[N@H+]2CCC[C@@H](c3ccn[nH]3)C2)ccc1OCc1c(C)noc1C ZINC000121283703 876722420 /nfs/dbraw/zinc/72/24/20/876722420.db2.gz GYOAKKKKCNXIGC-GOSISDBHSA-N 1 2 396.491 3.982 10 0 GHAELO Cc1c([C@@H](C)[NH2+]Cc2nnc(-c3ccccc3)s2)cnn1-c1ccccn1 ZINC000181314955 883135629 /nfs/dbraw/zinc/13/56/29/883135629.db2.gz PPHRMESEMRVODL-CQSZACIVSA-N 1 2 376.489 3.945 10 0 GHAELO O=C(Nc1cccc(CC(F)(F)F)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184119956 883321966 /nfs/dbraw/zinc/32/19/66/883321966.db2.gz PPPFDTMNAAWJHT-UHFFFAOYSA-N 1 2 378.398 3.931 10 0 GHAELO CCCc1c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cnn1-c1cccc(F)c1 ZINC000184526277 883353335 /nfs/dbraw/zinc/35/33/35/883353335.db2.gz BXSZSKFQYCVITH-SFHVURJKSA-N 1 2 396.470 3.857 10 0 GHAELO Cn1cc([C@@H]([NH2+]Cc2cc(Cl)cc3c2OCOC3)c2ccc(F)cc2)cn1 ZINC000184599924 883359951 /nfs/dbraw/zinc/35/99/51/883359951.db2.gz DOPACRZASCEIMU-IBGZPJMESA-N 1 2 387.842 3.958 10 0 GHAELO O=C(CCc1ccc(Br)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186420301 883644773 /nfs/dbraw/zinc/64/47/73/883644773.db2.gz FQGHGAXCNCWDQO-UHFFFAOYSA-N 1 2 388.309 3.516 10 0 GHAELO O=C(Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1)C(=O)Nc1cccc(F)c1 ZINC000188674515 883870081 /nfs/dbraw/zinc/87/00/81/883870081.db2.gz RZUMCPQEALPXDJ-UHFFFAOYSA-N 1 2 378.407 3.603 10 0 GHAELO Cc1csc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)c1Br ZINC000192091489 884233390 /nfs/dbraw/zinc/23/33/90/884233390.db2.gz SOWNLONJVSNXCM-UHFFFAOYSA-N 1 2 380.311 3.567 10 0 GHAELO Cc1cc(=O)[nH]c(-c2ccc(NC(=O)C=Cc3ccc(-n4cc[nH+]c4)cc3)cc2)n1 ZINC000104325845 886001220 /nfs/dbraw/zinc/00/12/20/886001220.db2.gz RHVSJEGJYQTEES-NYYWCZLTSA-N 1 2 397.438 3.583 10 0 GHAELO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@H]3CCCC[C@@H]3n3cccn3)s2)cc1 ZINC000128031852 887138583 /nfs/dbraw/zinc/13/85/83/887138583.db2.gz TYZDGJGWZSWCSX-IRXDYDNUSA-N 1 2 396.520 3.569 10 0 GHAELO COc1cc(-c2noc(C[NH2+]C3(c4cccc(F)c4)CCOCC3)n2)ccc1C ZINC000133376637 887754899 /nfs/dbraw/zinc/75/48/99/887754899.db2.gz NHBRABZTOODRNL-UHFFFAOYSA-N 1 2 397.450 3.988 10 0 GHAELO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245681694 889214731 /nfs/dbraw/zinc/21/47/31/889214731.db2.gz MUKHUHFXQCVHCY-YOEHRIQHSA-N 1 2 396.869 3.650 10 0 GHAELO CC(C)c1nn(C)c(Cl)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)c(F)c1 ZINC000245681694 889214746 /nfs/dbraw/zinc/21/47/46/889214746.db2.gz MUKHUHFXQCVHCY-YOEHRIQHSA-N 1 2 396.869 3.650 10 0 GHAELO Fc1ccc(OCc2nc(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)cs2)cc1 ZINC000246548485 891285443 /nfs/dbraw/zinc/28/54/43/891285443.db2.gz AWJFLBFKZXVABH-IAGOWNOFSA-N 1 2 380.510 3.568 10 0 GHAELO Fc1ccc(OCc2nc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)cs2)cc1 ZINC000246548485 891285459 /nfs/dbraw/zinc/28/54/59/891285459.db2.gz AWJFLBFKZXVABH-IAGOWNOFSA-N 1 2 380.510 3.568 10 0 GHAELO O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246605236 891291268 /nfs/dbraw/zinc/29/12/68/891291268.db2.gz DFRHBQSVEADFAQ-YVEFUNNKSA-N 1 2 390.833 3.924 10 0 GHAELO O=C(C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246605236 891291281 /nfs/dbraw/zinc/29/12/81/891291281.db2.gz DFRHBQSVEADFAQ-YVEFUNNKSA-N 1 2 390.833 3.924 10 0 GHAELO COCC[N@H+](Cc1ccc2cc(NC(C)=O)ccc2n1)Cc1ccccc1F ZINC000055281396 222017793 /nfs/dbraw/zinc/01/77/93/222017793.db2.gz UWMCRNFIGRPTGM-UHFFFAOYSA-N 1 2 381.451 3.981 10 0 GHAELO COCC[N@@H+](Cc1ccc2cc(NC(C)=O)ccc2n1)Cc1ccccc1F ZINC000055281396 222017796 /nfs/dbraw/zinc/01/77/96/222017796.db2.gz UWMCRNFIGRPTGM-UHFFFAOYSA-N 1 2 381.451 3.981 10 0 GHAELO Nc1cc(-c2cn(S(=O)(=O)c3ccccc3)c3nccc(Cl)c23)cc[nH+]1 ZINC000095937782 222361572 /nfs/dbraw/zinc/36/15/72/222361572.db2.gz AWPKHOIALDBUND-UHFFFAOYSA-N 1 2 384.848 3.571 10 0 GHAELO CCCNc1cc(N2CCC[C@H](CCC(=O)NCc3cccs3)C2)nc[nH+]1 ZINC000065242456 535193370 /nfs/dbraw/zinc/19/33/70/535193370.db2.gz YVDOHBSQOPMKML-MRXNPFEDSA-N 1 2 387.553 3.673 10 0 GHAELO CCCNc1cc(N2CCC[C@H](CCC(=O)NCc3cccs3)C2)[nH+]cn1 ZINC000065242456 535193375 /nfs/dbraw/zinc/19/33/75/535193375.db2.gz YVDOHBSQOPMKML-MRXNPFEDSA-N 1 2 387.553 3.673 10 0 GHAELO CC(C)(C)[NH+]=C1Nc2ccccc2N[C@]12CCCN(C(=O)c1ccncc1)C2 ZINC000065260047 570761974 /nfs/dbraw/zinc/76/19/74/570761974.db2.gz HYVZGNYABJOVFO-QFIPXVFZSA-N 1 2 377.492 3.600 10 0 GHAELO CCc1noc(-c2ccc(C)c(NC(=O)N3CCC[C@H]3Cn3cc[nH+]c3)c2)n1 ZINC000151347594 845191868 /nfs/dbraw/zinc/19/18/68/845191868.db2.gz BHTHOLVLXMBIOT-INIZCTEOSA-N 1 2 380.452 3.500 10 0 GHAELO CCC[N@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549126 851671313 /nfs/dbraw/zinc/67/13/13/851671313.db2.gz YOOMPPFJPGCNBZ-HOTGVXAUSA-N 1 2 399.457 3.527 10 0 GHAELO CCC[N@@H+](CC(=O)N1CCC[C@H](C(F)(F)F)C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000101549126 851671316 /nfs/dbraw/zinc/67/13/16/851671316.db2.gz YOOMPPFJPGCNBZ-HOTGVXAUSA-N 1 2 399.457 3.527 10 0 GHAELO CCn1c(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)nc2c1cccc2F ZINC000103140615 863931965 /nfs/dbraw/zinc/93/19/65/863931965.db2.gz PKUZYEKPURLNFS-UHFFFAOYSA-N 1 2 394.494 3.898 10 0 GHAELO O=C(C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccnn1C1CCCC1 ZINC000102928866 865762568 /nfs/dbraw/zinc/76/25/68/865762568.db2.gz HGLOJOXAZHQAHW-QGZVFWFLSA-N 1 2 382.464 3.503 10 0 GHAELO O=C(C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)Nc1ccnn1C1CCCC1 ZINC000102928866 865762574 /nfs/dbraw/zinc/76/25/74/865762574.db2.gz HGLOJOXAZHQAHW-QGZVFWFLSA-N 1 2 382.464 3.503 10 0 GHAELO Cn1cc([C@H]2CC[N@H+](CC(=O)Nc3c(Cl)cccc3C(F)(F)F)C2)cn1 ZINC000172057223 882165985 /nfs/dbraw/zinc/16/59/85/882165985.db2.gz XFWRRAQBPSGOOH-NSHDSACASA-N 1 2 386.805 3.520 10 0 GHAELO Cn1cc([C@H]2CC[N@@H+](CC(=O)Nc3c(Cl)cccc3C(F)(F)F)C2)cn1 ZINC000172057223 882165989 /nfs/dbraw/zinc/16/59/89/882165989.db2.gz XFWRRAQBPSGOOH-NSHDSACASA-N 1 2 386.805 3.520 10 0 GHAELO O=c1[nH]c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccsc21 ZINC000114481769 869214232 /nfs/dbraw/zinc/21/42/32/869214232.db2.gz GMIVGHJSAPHGIU-OAHLLOKOSA-N 1 2 391.500 3.754 10 0 GHAELO O=c1[nH]c(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)nc2ccsc21 ZINC000114481769 869214243 /nfs/dbraw/zinc/21/42/43/869214243.db2.gz GMIVGHJSAPHGIU-OAHLLOKOSA-N 1 2 391.500 3.754 10 0 GHAELO Cc1c(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)cccc1OCC(F)(F)F ZINC000176351362 882682784 /nfs/dbraw/zinc/68/27/84/882682784.db2.gz SYXLGWKHOZJFRF-AWEZNQCLSA-N 1 2 382.386 3.829 10 0 GHAELO Cc1cc(C)n(-c2ccccc2NC(=O)N2CCCN(c3cccc[nH+]3)CC2)n1 ZINC000184059160 883331887 /nfs/dbraw/zinc/33/18/87/883331887.db2.gz VZKHQXXPGUUSRJ-UHFFFAOYSA-N 1 2 390.491 3.628 10 0 GHAELO C[C@@H](NC(=O)N1CC[C@]2(C1)OCc1ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000185778019 883583849 /nfs/dbraw/zinc/58/38/49/883583849.db2.gz YECYWIGUCHFFFS-UZUQRXQVSA-N 1 2 388.471 3.774 10 0 GHAELO CC(C)CC(=O)Nc1ccc(C(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1F ZINC000186493683 883649829 /nfs/dbraw/zinc/64/98/29/883649829.db2.gz ZUIKNIBXPVBTDC-UHFFFAOYSA-N 1 2 398.482 3.558 10 0 GHAELO COc1ccc(-c2cncc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)c2)cc1 ZINC000186499513 883651318 /nfs/dbraw/zinc/65/13/18/883651318.db2.gz DJDNAYRWBXOQAT-UHFFFAOYSA-N 1 2 388.471 3.505 10 0 GHAELO CCOc1cc(C(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)cc(Cl)c1O ZINC000186831383 883709620 /nfs/dbraw/zinc/70/96/20/883709620.db2.gz VDLNYSJWOKCPQK-UHFFFAOYSA-N 1 2 389.883 3.547 10 0 GHAELO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Br ZINC000151687753 885736768 /nfs/dbraw/zinc/73/67/68/885736768.db2.gz CVBMCHZCKJUIRF-ZQIUZPCESA-N 1 2 391.313 3.999 10 0 GHAELO O=C(C[N@@H+]1CCC[C@H](c2nccs2)C1)N[C@H](c1nccs1)c1ccccc1 ZINC000108362559 886072296 /nfs/dbraw/zinc/07/22/96/886072296.db2.gz UAOURYMABHKVFS-WMZOPIPTSA-N 1 2 398.557 3.685 10 0 GHAELO O=C(C[N@H+]1CCC[C@H](c2nccs2)C1)N[C@H](c1nccs1)c1ccccc1 ZINC000108362559 886072312 /nfs/dbraw/zinc/07/23/12/886072312.db2.gz UAOURYMABHKVFS-WMZOPIPTSA-N 1 2 398.557 3.685 10 0 GHAELO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)[C@@H]2CN(c3cccc[nH+]3)C[C@H]2C)cc1 ZINC000332774621 886543900 /nfs/dbraw/zinc/54/39/00/886543900.db2.gz XNTWOLHBMBEINN-ZVXPMLRVSA-N 1 2 393.531 3.746 10 0 GHAELO Cc1nc(CCCC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000245673305 889201198 /nfs/dbraw/zinc/20/11/98/889201198.db2.gz KQNFHXNWJUWIDM-MJGOQNOKSA-N 1 2 379.476 3.614 10 0 GHAELO Cc1nc(CCCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)cs1 ZINC000245673305 889201213 /nfs/dbraw/zinc/20/12/13/889201213.db2.gz KQNFHXNWJUWIDM-MJGOQNOKSA-N 1 2 379.476 3.614 10 0 GHAELO COCCc1ccccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249080785 891494112 /nfs/dbraw/zinc/49/41/12/891494112.db2.gz SMHZOCYIAMXTPV-VQTJNVASSA-N 1 2 389.446 3.721 10 0 GHAELO COCCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000249080785 891494119 /nfs/dbraw/zinc/49/41/19/891494119.db2.gz SMHZOCYIAMXTPV-VQTJNVASSA-N 1 2 389.446 3.721 10 0 GHAELO CCC(=O)N1CC[NH+]([C@H](C(=O)Nc2ccc(C(C)C)cc2)C2CCCC2)CC1 ZINC000036311749 570611443 /nfs/dbraw/zinc/61/14/43/570611443.db2.gz NTBDTNSICNPMOC-QFIPXVFZSA-N 1 2 385.552 3.862 10 0 GHAELO Cn1c2c([nH+]c1[C@@H]1CCCN1Cc1nccn1Cc1ccccc1)CCCC2 ZINC000275696128 570698558 /nfs/dbraw/zinc/69/85/58/570698558.db2.gz XGPPPCAVFJUKLI-NRFANRHFSA-N 1 2 375.520 3.881 10 0 GHAELO Cc1ccc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Br)CCO2)o1 ZINC000159184765 835750702 /nfs/dbraw/zinc/75/07/02/835750702.db2.gz HEFNAFQCBSLBLH-KRWDZBQOSA-N 1 2 393.281 3.753 10 0 GHAELO Cc1ccc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Br)CCO2)o1 ZINC000159184765 835750710 /nfs/dbraw/zinc/75/07/10/835750710.db2.gz HEFNAFQCBSLBLH-KRWDZBQOSA-N 1 2 393.281 3.753 10 0 GHAELO Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1)C(C)C ZINC000332789722 836626379 /nfs/dbraw/zinc/62/63/79/836626379.db2.gz KSBAMQUPADCVLE-DFQSSKMNSA-N 1 2 385.508 3.553 10 0 GHAELO Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1)C(C)C ZINC000332789722 836626380 /nfs/dbraw/zinc/62/63/80/836626380.db2.gz KSBAMQUPADCVLE-DFQSSKMNSA-N 1 2 385.508 3.553 10 0 GHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000106208591 840761210 /nfs/dbraw/zinc/76/12/10/840761210.db2.gz XMWFPMXLDSFTSX-HNNXBMFYSA-N 1 2 396.564 3.840 10 0 GHAELO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000106208591 840761222 /nfs/dbraw/zinc/76/12/22/840761222.db2.gz XMWFPMXLDSFTSX-HNNXBMFYSA-N 1 2 396.564 3.840 10 0 GHAELO Cn1c[nH+]cc1[C@@H]1C[C@@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO1 ZINC000333464045 845404728 /nfs/dbraw/zinc/40/47/28/845404728.db2.gz QBSPYWMTEHLEFG-DRWNQKMKSA-N 1 2 388.899 3.539 10 0 GHAELO COc1cc(/C=C/C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC(C)C ZINC000119665940 846199327 /nfs/dbraw/zinc/19/93/27/846199327.db2.gz JKQDMLJTMMAXNV-RQMBKDMJSA-N 1 2 397.519 3.710 10 0 GHAELO Cc1c2ccccc2oc1[C@H](NC(=O)N1CC[C@@H]([NH+]2CCOCC2)C1)C(C)C ZINC000173909480 860444152 /nfs/dbraw/zinc/44/41/52/860444152.db2.gz AJCBCTAUEGEMAS-YLJYHZDGSA-N 1 2 385.508 3.554 10 0 GHAELO Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2cc[nH+]c3c(Cl)cccc23)CC(=O)N1C ZINC000329221420 861163326 /nfs/dbraw/zinc/16/33/26/861163326.db2.gz UTVXOYURYVAWPX-OXQOHEQNSA-N 1 2 383.883 3.622 10 0 GHAELO COc1ccccc1[C@@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000177505905 882808542 /nfs/dbraw/zinc/80/85/42/882808542.db2.gz BSJWVFYQOBQBEY-UGKGYDQZSA-N 1 2 390.487 3.855 10 0 GHAELO O=C(C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178071011 882862604 /nfs/dbraw/zinc/86/26/04/882862604.db2.gz QADGXVRBPXFQPH-BXUZGUMPSA-N 1 2 376.806 3.798 10 0 GHAELO O=C(C[N@H+]1CC[C@H]2OCCC[C@@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000178071011 882862622 /nfs/dbraw/zinc/86/26/22/882862622.db2.gz QADGXVRBPXFQPH-BXUZGUMPSA-N 1 2 376.806 3.798 10 0 GHAELO COc1ccc(-n2ccc(C[NH2+][C@@H](C)c3cnn(-c4ccccn4)c3C)n2)cc1 ZINC000121703208 877667862 /nfs/dbraw/zinc/66/78/62/877667862.db2.gz QNYYTKRCBYSHEO-INIZCTEOSA-N 1 2 388.475 3.621 10 0 GHAELO O=C(Nc1cc(F)ccc1Br)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184123605 883321635 /nfs/dbraw/zinc/32/16/35/883321635.db2.gz WOTIRUFQYFHUIS-UHFFFAOYSA-N 1 2 393.260 3.727 10 0 GHAELO O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184117466 883322056 /nfs/dbraw/zinc/32/20/56/883322056.db2.gz POWRYZMOCGZLBR-UHFFFAOYSA-N 1 2 378.398 3.931 10 0 GHAELO Cc1ccc(Cc2nc(C(=O)N3CCCN(c4cccc[nH+]4)CC3)cs2)cc1 ZINC000186421766 883644488 /nfs/dbraw/zinc/64/44/88/883644488.db2.gz DVDFSCBTYRIKTC-UHFFFAOYSA-N 1 2 392.528 3.790 10 0 GHAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152835 884049137 /nfs/dbraw/zinc/04/91/37/884049137.db2.gz CCRLKUGASUYYCJ-RXVVDRJESA-N 1 2 389.459 3.679 10 0 GHAELO CO[C@H]1C[C@@H](c2nc(C)no2)[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000190152835 884049155 /nfs/dbraw/zinc/04/91/55/884049155.db2.gz CCRLKUGASUYYCJ-RXVVDRJESA-N 1 2 389.459 3.679 10 0 GHAELO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@@H]3CCCC[C@@H]3n3cccn3)s2)cc1 ZINC000128031636 887137550 /nfs/dbraw/zinc/13/75/50/887137550.db2.gz TYZDGJGWZSWCSX-SJORKVTESA-N 1 2 396.520 3.569 10 0 GHAELO CC[C@@H]1Oc2cc([C@@H](C)[NH2+][C@H](C)c3nc(-c4cccnc4)no3)ccc2NC1=O ZINC000246188299 890628431 /nfs/dbraw/zinc/62/84/31/890628431.db2.gz ASLSLSHOCVEECH-XNJGSVPQSA-N 1 2 393.447 3.653 10 0 GHAELO CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000247271004 891362200 /nfs/dbraw/zinc/36/22/00/891362200.db2.gz WIPGBIJLROVKHK-PMPSAXMXSA-N 1 2 379.526 3.953 10 0 GHAELO CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000247271004 891362215 /nfs/dbraw/zinc/36/22/15/891362215.db2.gz WIPGBIJLROVKHK-PMPSAXMXSA-N 1 2 379.526 3.953 10 0 GHAELO CCOC(=O)c1nn(CC(C)C)c2c1C[N@H+](Cc1cn(C)c3ccccc13)CC2 ZINC000014743561 221315682 /nfs/dbraw/zinc/31/56/82/221315682.db2.gz AARKJOYUIBVSLP-UHFFFAOYSA-N 1 2 394.519 3.766 10 0 GHAELO CCOC(=O)c1nn(CC(C)C)c2c1C[N@@H+](Cc1cn(C)c3ccccc13)CC2 ZINC000014743561 221315687 /nfs/dbraw/zinc/31/56/87/221315687.db2.gz AARKJOYUIBVSLP-UHFFFAOYSA-N 1 2 394.519 3.766 10 0 GHAELO CC[C@H]1C(=O)NCC[N@H+]1Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000055359674 222020411 /nfs/dbraw/zinc/02/04/11/222020411.db2.gz AJLBFBCUVWCATE-NRFANRHFSA-N 1 2 390.487 3.590 10 0 GHAELO CC[C@H]1C(=O)NCC[N@@H+]1Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1 ZINC000055359674 222020415 /nfs/dbraw/zinc/02/04/15/222020415.db2.gz AJLBFBCUVWCATE-NRFANRHFSA-N 1 2 390.487 3.590 10 0 GHAELO COc1ccc(C[N@@H+]2CCc3nc(Nc4cccc(OC)c4)ncc3C2)cc1 ZINC000021639343 570293851 /nfs/dbraw/zinc/29/38/51/570293851.db2.gz CAMWYJDJPZGETG-UHFFFAOYSA-N 1 2 376.460 3.796 10 0 GHAELO COc1ccc(C[N@H+]2CCc3nc(Nc4cccc(OC)c4)ncc3C2)cc1 ZINC000021639343 570293853 /nfs/dbraw/zinc/29/38/53/570293853.db2.gz CAMWYJDJPZGETG-UHFFFAOYSA-N 1 2 376.460 3.796 10 0 GHAELO NC(=O)c1ccc([C@@H]2CCC[N@@H+]2Cc2coc3ccc(Cl)cc3c2=O)s1 ZINC000023192715 570946256 /nfs/dbraw/zinc/94/62/56/570946256.db2.gz NFTVWSVLBGXNQS-AWEZNQCLSA-N 1 2 388.876 3.944 10 0 GHAELO NC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2coc3ccc(Cl)cc3c2=O)s1 ZINC000023192715 570946259 /nfs/dbraw/zinc/94/62/59/570946259.db2.gz NFTVWSVLBGXNQS-AWEZNQCLSA-N 1 2 388.876 3.944 10 0 GHAELO CCc1nc(N2CCOC[C@H]2c2c(C)nn(-c3ccccc3F)c2C)cc(C)[nH+]1 ZINC000329216726 834562681 /nfs/dbraw/zinc/56/26/81/834562681.db2.gz OZMYCOVLWRXFLJ-IBGZPJMESA-N 1 2 395.482 3.867 10 0 GHAELO Cc1[nH]c2ccccc2c1C1CCN(c2cc(N3CCC[C@H]3CO)nc[nH+]2)CC1 ZINC000107098321 841182201 /nfs/dbraw/zinc/18/22/01/841182201.db2.gz QUTNIIWVVBVJPL-SFHVURJKSA-N 1 2 391.519 3.611 10 0 GHAELO Cc1[nH]c2ccccc2c1C1CCN(c2cc(N3CCC[C@H]3CO)[nH+]cn2)CC1 ZINC000107098321 841182212 /nfs/dbraw/zinc/18/22/12/841182212.db2.gz QUTNIIWVVBVJPL-SFHVURJKSA-N 1 2 391.519 3.611 10 0 GHAELO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)N1CC=C(c2ccccc2)CC1 ZINC000162474615 843259061 /nfs/dbraw/zinc/25/90/61/843259061.db2.gz WTLVJTLKHGCRGI-UHFFFAOYSA-N 1 2 378.476 3.548 10 0 GHAELO COc1c(C)cc(C[N@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1C ZINC000101566437 851665426 /nfs/dbraw/zinc/66/54/26/851665426.db2.gz NTLVVAWMPLLUND-UHFFFAOYSA-N 1 2 383.517 3.731 10 0 GHAELO COc1c(C)cc(C[N@@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)cc1C ZINC000101566437 851665433 /nfs/dbraw/zinc/66/54/33/851665433.db2.gz NTLVVAWMPLLUND-UHFFFAOYSA-N 1 2 383.517 3.731 10 0 GHAELO Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000247980206 853268406 /nfs/dbraw/zinc/26/84/06/853268406.db2.gz IFWIFNKLASSBMO-DOXZYTNZSA-N 1 2 395.341 3.712 10 0 GHAELO Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(Br)c1 ZINC000247980206 853268414 /nfs/dbraw/zinc/26/84/14/853268414.db2.gz IFWIFNKLASSBMO-DOXZYTNZSA-N 1 2 395.341 3.712 10 0 GHAELO C[C@H](NC(=O)N1CC[C@@]2(C1)OCc1ccccc12)c1cccc(-n2cc[nH+]c2)c1 ZINC000185778044 856426522 /nfs/dbraw/zinc/42/65/22/856426522.db2.gz YECYWIGUCHFFFS-SBUREZEXSA-N 1 2 388.471 3.774 10 0 GHAELO CC(=O)N1CC[C@@H](Nc2cc(N3CCCCC3)nc[nH+]2)c2ccc(F)cc2C1 ZINC000302184577 865754424 /nfs/dbraw/zinc/75/44/24/865754424.db2.gz GUEZSLUJZJIUQC-LJQANCHMSA-N 1 2 383.471 3.511 10 0 GHAELO CC(=O)N1CC[C@@H](Nc2cc(N3CCCCC3)[nH+]cn2)c2ccc(F)cc2C1 ZINC000302184577 865754428 /nfs/dbraw/zinc/75/44/28/865754428.db2.gz GUEZSLUJZJIUQC-LJQANCHMSA-N 1 2 383.471 3.511 10 0 GHAELO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000179304606 865805647 /nfs/dbraw/zinc/80/56/47/865805647.db2.gz XXSATFQIOJBFPG-HBFSDRIKSA-N 1 2 387.430 3.533 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000179304606 865805658 /nfs/dbraw/zinc/80/56/58/865805658.db2.gz XXSATFQIOJBFPG-HBFSDRIKSA-N 1 2 387.430 3.533 10 0 GHAELO Cc1cc(C)n(-c2cccc(NC(=O)N3CCCN(c4cccc[nH+]4)CC3)c2)n1 ZINC000184077600 883315617 /nfs/dbraw/zinc/31/56/17/883315617.db2.gz BWMWZWBCNLLHRG-UHFFFAOYSA-N 1 2 390.491 3.628 10 0 GHAELO COC(=O)[C@H](C)C[N@H+](Cc1noc(-c2ccc(OC)cc2)n1)Cc1ccccc1 ZINC000102515422 883507657 /nfs/dbraw/zinc/50/76/57/883507657.db2.gz BAAHSJNVMWNUMG-MRXNPFEDSA-N 1 2 395.459 3.557 10 0 GHAELO COC(=O)[C@H](C)C[N@@H+](Cc1noc(-c2ccc(OC)cc2)n1)Cc1ccccc1 ZINC000102515422 883507668 /nfs/dbraw/zinc/50/76/68/883507668.db2.gz BAAHSJNVMWNUMG-MRXNPFEDSA-N 1 2 395.459 3.557 10 0 GHAELO O=C(CCc1nc(-c2cccnc2)no1)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000109702927 886151925 /nfs/dbraw/zinc/15/19/25/886151925.db2.gz XFYURGNMMNXASX-UHFFFAOYSA-N 1 2 394.822 3.542 10 0 GHAELO CCC(CC)C(=O)N1CCC[C@@H](COc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000015067119 221329355 /nfs/dbraw/zinc/32/93/55/221329355.db2.gz HAHIFNSWRXGGKH-HXUWFJFHSA-N 1 2 388.552 3.572 10 0 GHAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccccc1Oc1ccccc1 ZINC000332759209 836560791 /nfs/dbraw/zinc/56/07/91/836560791.db2.gz OWRVSPPXDXQCGX-UCNVEGJOSA-N 1 2 395.503 3.654 10 0 GHAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccccc1Oc1ccccc1 ZINC000332759209 836560797 /nfs/dbraw/zinc/56/07/97/836560797.db2.gz OWRVSPPXDXQCGX-UCNVEGJOSA-N 1 2 395.503 3.654 10 0 GHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000106208385 840761753 /nfs/dbraw/zinc/76/17/53/840761753.db2.gz VPEQBNYYRZXMTP-UKRRQHHQSA-N 1 2 385.537 3.850 10 0 GHAELO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000106208385 840761762 /nfs/dbraw/zinc/76/17/62/840761762.db2.gz VPEQBNYYRZXMTP-UKRRQHHQSA-N 1 2 385.537 3.850 10 0 GHAELO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)cc2)c1 ZINC000328935039 854608183 /nfs/dbraw/zinc/60/81/83/854608183.db2.gz FLTPAZPJKWIBOM-SFTDATJTSA-N 1 2 381.476 3.724 10 0 GHAELO Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H]4OCC[N@H+](C)[C@H]4C3)cc2)c1 ZINC000328935039 854608192 /nfs/dbraw/zinc/60/81/92/854608192.db2.gz FLTPAZPJKWIBOM-SFTDATJTSA-N 1 2 381.476 3.724 10 0 GHAELO COC(=O)[C@H](c1cccnc1)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121716629 877678988 /nfs/dbraw/zinc/67/89/88/877678988.db2.gz MADRXKNYGJYUDB-ICSRJNTNSA-N 1 2 376.460 3.565 10 0 GHAELO COC(=O)[C@H](c1cccnc1)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121716629 877678999 /nfs/dbraw/zinc/67/89/99/877678999.db2.gz MADRXKNYGJYUDB-ICSRJNTNSA-N 1 2 376.460 3.565 10 0 GHAELO Oc1cccc(C[N@@H+](Cc2noc(-c3ccsc3)n2)C2CCC(O)CC2)c1 ZINC000132381368 887649524 /nfs/dbraw/zinc/64/95/24/887649524.db2.gz AQILBEZLUSJOPI-UHFFFAOYSA-N 1 2 385.489 3.809 10 0 GHAELO Oc1cccc(C[N@H+](Cc2noc(-c3ccsc3)n2)C2CCC(O)CC2)c1 ZINC000132381368 887649530 /nfs/dbraw/zinc/64/95/30/887649530.db2.gz AQILBEZLUSJOPI-UHFFFAOYSA-N 1 2 385.489 3.809 10 0 GHAELO O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000333847492 902368618 /nfs/dbraw/zinc/36/86/18/902368618.db2.gz WNDYSQTXECHUOH-ABSDTBQOSA-N 1 2 380.492 3.511 10 0 GHAELO O=c1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nn1CC[NH+]1CCOCC1 ZINC000031571479 212158205 /nfs/dbraw/zinc/15/82/05/212158205.db2.gz FQJPOUFLBABUPN-UHFFFAOYSA-N 1 2 395.890 3.563 10 0 GHAELO CC(C)c1csc(C(=O)N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000095516618 222345028 /nfs/dbraw/zinc/34/50/28/222345028.db2.gz VSVNQEMIECKNBH-MRXNPFEDSA-N 1 2 395.532 3.926 10 0 GHAELO CC(C)(C(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(Br)c1 ZINC000102344860 836750406 /nfs/dbraw/zinc/75/04/06/836750406.db2.gz WNKBIHZYHWRTIV-UHFFFAOYSA-N 1 2 376.298 3.787 10 0 GHAELO C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000246566393 842051962 /nfs/dbraw/zinc/05/19/62/842051962.db2.gz LUMAQJNZZBIMIZ-YGWPLHOASA-N 1 2 380.492 3.580 10 0 GHAELO CC(=O)Nc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)ccc1C ZINC000104121105 856312616 /nfs/dbraw/zinc/31/26/16/856312616.db2.gz TWIDOIQZGDJTAB-MRXNPFEDSA-N 1 2 383.467 3.612 10 0 GHAELO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]([NH+]4CCOCC4)C3)cc2)cc1 ZINC000173778717 860443528 /nfs/dbraw/zinc/44/35/28/860443528.db2.gz DEFVXNOLSJARCC-LJQANCHMSA-N 1 2 381.476 3.726 10 0 GHAELO C[C@@H](NC(=O)N1CCC[C@H](c2nccs2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000173456892 882362295 /nfs/dbraw/zinc/36/22/95/882362295.db2.gz IPILUWJHGBYWKR-WBVHZDCISA-N 1 2 381.505 3.979 10 0 GHAELO Cc1nn(C)c(=O)c(-c2nc(C[N@H+]3CC=C(c4ccccc4)CC3)cs2)c1C ZINC000176981616 882755851 /nfs/dbraw/zinc/75/58/51/882755851.db2.gz XWYPVXUTHXBQGQ-UHFFFAOYSA-N 1 2 392.528 3.810 10 0 GHAELO Cc1nn(C)c(=O)c(-c2nc(C[N@@H+]3CC=C(c4ccccc4)CC3)cs2)c1C ZINC000176981616 882755867 /nfs/dbraw/zinc/75/58/67/882755867.db2.gz XWYPVXUTHXBQGQ-UHFFFAOYSA-N 1 2 392.528 3.810 10 0 GHAELO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@H+]1CC=C(c2cccs2)CC1 ZINC000117895885 874231021 /nfs/dbraw/zinc/23/10/21/874231021.db2.gz KURMUCPQJVIIFR-KRWDZBQOSA-N 1 2 397.544 3.597 10 0 GHAELO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117895885 874231032 /nfs/dbraw/zinc/23/10/32/874231032.db2.gz KURMUCPQJVIIFR-KRWDZBQOSA-N 1 2 397.544 3.597 10 0 GHAELO Cc1cc(Sc2ncccn2)ccc1NC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000180456874 883059737 /nfs/dbraw/zinc/05/97/37/883059737.db2.gz GBNCAUKBKKTGAC-MRXNPFEDSA-N 1 2 394.504 3.829 10 0 GHAELO O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCc1ncc(-c2ccccc2)cn1 ZINC000184140785 883324972 /nfs/dbraw/zinc/32/49/72/883324972.db2.gz FEIVGUALPHSHFH-DHZHZOJOSA-N 1 2 381.439 3.659 10 0 GHAELO Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](Cc4[nH+]ccn4C)C3)[nH]n2)c(C)c1 ZINC000186613614 883674865 /nfs/dbraw/zinc/67/48/65/883674865.db2.gz QOMREAYBCAONEA-KRWDZBQOSA-N 1 2 377.492 3.522 10 0 GHAELO C[C@@H](NC(=O)N1CCC(Nc2nccs2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000187352279 883770671 /nfs/dbraw/zinc/77/06/71/883770671.db2.gz UYEPREAORQUVPN-OAHLLOKOSA-N 1 2 396.520 3.676 10 0 GHAELO O=C(C[N@@H+]1CCC[C@H](c2nccs2)C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000108362563 886072903 /nfs/dbraw/zinc/07/29/03/886072903.db2.gz UAOURYMABHKVFS-FUHWJXTLSA-N 1 2 398.557 3.685 10 0 GHAELO O=C(C[N@H+]1CCC[C@H](c2nccs2)C1)N[C@@H](c1nccs1)c1ccccc1 ZINC000108362563 886072924 /nfs/dbraw/zinc/07/29/24/886072924.db2.gz UAOURYMABHKVFS-FUHWJXTLSA-N 1 2 398.557 3.685 10 0 GHAELO C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245533422 888853536 /nfs/dbraw/zinc/85/35/36/888853536.db2.gz IRIQPXVROUQVCF-XLIONFOSSA-N 1 2 395.503 3.599 10 0 GHAELO C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000245533422 888853550 /nfs/dbraw/zinc/85/35/50/888853550.db2.gz IRIQPXVROUQVCF-XLIONFOSSA-N 1 2 395.503 3.599 10 0 GHAELO C[N@@H+](Cc1cnc(Cl)nc1Cl)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075343 222328996 /nfs/dbraw/zinc/32/89/96/222328996.db2.gz CLXJBNSMJKKWJR-GFCCVEGCSA-N 1 2 375.300 3.615 10 0 GHAELO C[N@H+](Cc1cnc(Cl)nc1Cl)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075343 222328999 /nfs/dbraw/zinc/32/89/99/222328999.db2.gz CLXJBNSMJKKWJR-GFCCVEGCSA-N 1 2 375.300 3.615 10 0 GHAELO CCc1nc(N2CCOC[C@@H]2c2c(C)nn(-c3ccccc3F)c2C)cc(C)[nH+]1 ZINC000329216727 834562406 /nfs/dbraw/zinc/56/24/06/834562406.db2.gz OZMYCOVLWRXFLJ-LJQANCHMSA-N 1 2 395.482 3.867 10 0 GHAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1)c1ccc(Oc2ccccc2)cc1 ZINC000332751025 836537204 /nfs/dbraw/zinc/53/72/04/836537204.db2.gz AMFCMHJQNSKAEK-MTNREXPMSA-N 1 2 395.503 3.654 10 0 GHAELO C[C@H](NC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1)c1ccc(Oc2ccccc2)cc1 ZINC000332751025 836537210 /nfs/dbraw/zinc/53/72/10/836537210.db2.gz AMFCMHJQNSKAEK-MTNREXPMSA-N 1 2 395.503 3.654 10 0 GHAELO CCO[C@H]1C[C@@H](N(C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C12CCCC2 ZINC000153233161 842322201 /nfs/dbraw/zinc/32/22/01/842322201.db2.gz QDCMDWLRUPWXTA-MOPGFXCFSA-N 1 2 386.540 3.561 10 0 GHAELO Cc1ccc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c(OCC(F)(F)F)c1 ZINC000163085982 842961199 /nfs/dbraw/zinc/96/11/99/842961199.db2.gz VYIAWCOMRMHWFE-AWEZNQCLSA-N 1 2 382.386 3.829 10 0 GHAELO CC(=O)N1CC[NH+](Cc2ccccc2NC(=O)/C(C)=C\c2ccc(F)cc2)CC1 ZINC000588538310 848019498 /nfs/dbraw/zinc/01/94/98/848019498.db2.gz FZJVFLUFKDRWCN-ICFOKQHNSA-N 1 2 395.478 3.532 10 0 GHAELO Cc1sc2nc([C@@H](C)[N@@H+]3CC[C@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034811 860965742 /nfs/dbraw/zinc/96/57/42/860965742.db2.gz MOBZLPPJTDEJIL-MFKMUULPSA-N 1 2 385.493 3.825 10 0 GHAELO Cc1sc2nc([C@@H](C)[N@H+]3CC[C@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034811 860965750 /nfs/dbraw/zinc/96/57/50/860965750.db2.gz MOBZLPPJTDEJIL-MFKMUULPSA-N 1 2 385.493 3.825 10 0 GHAELO COc1ccc(C[N@@H+]2CCCN(C(=O)c3cccs3)CC2)cc1OC(F)F ZINC000093385827 882524710 /nfs/dbraw/zinc/52/47/10/882524710.db2.gz RROYMJKICVYZRZ-UHFFFAOYSA-N 1 2 396.459 3.706 10 0 GHAELO COc1ccc(C[N@H+]2CCCN(C(=O)c3cccs3)CC2)cc1OC(F)F ZINC000093385827 882524714 /nfs/dbraw/zinc/52/47/14/882524714.db2.gz RROYMJKICVYZRZ-UHFFFAOYSA-N 1 2 396.459 3.706 10 0 GHAELO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2cc3c(cccc3OC(F)F)[nH]2)C1 ZINC000119472214 875259958 /nfs/dbraw/zinc/25/99/58/875259958.db2.gz OUZKFGGQPXRLDD-CYBMUJFWSA-N 1 2 388.418 3.598 10 0 GHAELO Cc1cc(NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)nn1-c1cccc(Cl)c1 ZINC000180345184 883051355 /nfs/dbraw/zinc/05/13/55/883051355.db2.gz RSRPNROFSLZLEM-QGZVFWFLSA-N 1 2 384.871 3.727 10 0 GHAELO O=C(c1cccs1)N1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180239592 883068378 /nfs/dbraw/zinc/06/83/78/883068378.db2.gz FMYXUOMMEQRMTD-UHFFFAOYSA-N 1 2 386.546 3.683 10 0 GHAELO O=C(c1cccs1)N1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)CC1 ZINC000180239592 883068395 /nfs/dbraw/zinc/06/83/95/883068395.db2.gz FMYXUOMMEQRMTD-UHFFFAOYSA-N 1 2 386.546 3.683 10 0 GHAELO O=C(Nc1ccc(F)cc1OC(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184119222 883321480 /nfs/dbraw/zinc/32/14/80/883321480.db2.gz FHQBKOMPYTYTQL-UHFFFAOYSA-N 1 2 380.370 3.566 10 0 GHAELO O=C(Nc1cc(F)ccc1OC(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184124499 883322307 /nfs/dbraw/zinc/32/23/07/883322307.db2.gz GJYPVXRPMUPNDO-UHFFFAOYSA-N 1 2 380.370 3.566 10 0 GHAELO O=C(CCc1ncc(-c2ccccc2F)o1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186393030 883654768 /nfs/dbraw/zinc/65/47/68/883654768.db2.gz AGUDRRWVXKFLFU-UHFFFAOYSA-N 1 2 394.450 3.547 10 0 GHAELO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc2ncccc21 ZINC000102860203 884575702 /nfs/dbraw/zinc/57/57/02/884575702.db2.gz CSLYBJCQZCVQPI-LJQANCHMSA-N 1 2 389.499 3.598 10 0 GHAELO Cn1ccnc1CC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000106165685 886026312 /nfs/dbraw/zinc/02/63/12/886026312.db2.gz NWRQITAQTPEAJU-UHFFFAOYSA-N 1 2 388.515 3.980 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cs1 ZINC000246436572 891240700 /nfs/dbraw/zinc/24/07/00/891240700.db2.gz DBYGUOYAFMERRZ-HZPDHXFCSA-N 1 2 379.551 3.666 10 0 GHAELO CCN(C(C)=O)c1nc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)cs1 ZINC000246436572 891240716 /nfs/dbraw/zinc/24/07/16/891240716.db2.gz DBYGUOYAFMERRZ-HZPDHXFCSA-N 1 2 379.551 3.666 10 0 GHAELO O=C(Nc1ccc(Br)cc1F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184025551 1014570510 /nfs/dbraw/zinc/57/05/10/1014570510.db2.gz KJCYFSVJFLJGEH-UHFFFAOYSA-N 1 2 393.260 3.727 10 0 GHAELO CC[C@@H]1c2cccn2CC[N@H+]1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000011840066 221130854 /nfs/dbraw/zinc/13/08/54/221130854.db2.gz HZRHHRNMCJBWDV-GOSISDBHSA-N 1 2 378.476 3.627 10 0 GHAELO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1cn(C)nc1-c1ccc2c(c1)OCCO2 ZINC000011840066 221130856 /nfs/dbraw/zinc/13/08/56/221130856.db2.gz HZRHHRNMCJBWDV-GOSISDBHSA-N 1 2 378.476 3.627 10 0 GHAELO C[C@@H]1C[N@H+](Cc2ccc(Sc3nncn3C)o2)Cc2cc(Cl)ccc2O1 ZINC000012080096 221147900 /nfs/dbraw/zinc/14/79/00/221147900.db2.gz QRBAVCFZFOJPLB-GFCCVEGCSA-N 1 2 390.896 3.996 10 0 GHAELO C[C@@H]1C[N@@H+](Cc2ccc(Sc3nncn3C)o2)Cc2cc(Cl)ccc2O1 ZINC000012080096 221147904 /nfs/dbraw/zinc/14/79/04/221147904.db2.gz QRBAVCFZFOJPLB-GFCCVEGCSA-N 1 2 390.896 3.996 10 0 GHAELO Cn1c[nH+]cc1[C@H]1C[C@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO1 ZINC000333464046 845404537 /nfs/dbraw/zinc/40/45/37/845404537.db2.gz QBSPYWMTEHLEFG-JWBIFMHMSA-N 1 2 388.899 3.539 10 0 GHAELO Cn1c[nH+]cc1[C@H]1C[C@@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)CCO1 ZINC000333464048 845404693 /nfs/dbraw/zinc/40/46/93/845404693.db2.gz QBSPYWMTEHLEFG-VHHHDHQQSA-N 1 2 388.899 3.539 10 0 GHAELO Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CC[C@]4(O)CCCC[C@H]4C3)cc2)cc1 ZINC000246771555 851198232 /nfs/dbraw/zinc/19/82/32/851198232.db2.gz ICHVLWWWPWWMGV-NZQKXSOJSA-N 1 2 399.556 3.955 10 0 GHAELO Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CC[C@]4(O)CCCC[C@H]4C3)cc2)cc1 ZINC000246771555 851198248 /nfs/dbraw/zinc/19/82/48/851198248.db2.gz ICHVLWWWPWWMGV-NZQKXSOJSA-N 1 2 399.556 3.955 10 0 GHAELO C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1ccc(F)cc1Br ZINC000105510064 859822267 /nfs/dbraw/zinc/82/22/67/859822267.db2.gz QXJHRJLEPLXICA-NSHDSACASA-N 1 2 378.245 3.779 10 0 GHAELO O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000102941028 860911254 /nfs/dbraw/zinc/91/12/54/860911254.db2.gz MOMMMEURMKTWFP-IBGZPJMESA-N 1 2 390.443 3.648 10 0 GHAELO COc1ccccc1[C@H](NC(=O)N1CCC[C@H]1Cn1cc[nH+]c1)c1ccccc1 ZINC000177505893 882808665 /nfs/dbraw/zinc/80/86/65/882808665.db2.gz BSJWVFYQOBQBEY-SIKLNZKXSA-N 1 2 390.487 3.855 10 0 GHAELO COCc1c(C(=O)N2CCCN(c3cccc[nH+]3)CC2)sc2cccc(F)c21 ZINC000186414780 883643189 /nfs/dbraw/zinc/64/31/89/883643189.db2.gz VNTCTYFJLYLZSH-UHFFFAOYSA-N 1 2 399.491 3.934 10 0 GHAELO O=C(CCCc1ncc(-c2ccccc2)o1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186508171 883660127 /nfs/dbraw/zinc/66/01/27/883660127.db2.gz UFPHGQHUCSFNAO-UHFFFAOYSA-N 1 2 390.487 3.798 10 0 GHAELO O=C(NC[C@H]1CCCC[N@@H+]1Cc1nc(-c2ccoc2)no1)Nc1ccccc1 ZINC000105607980 884821467 /nfs/dbraw/zinc/82/14/67/884821467.db2.gz MFVKGJDMDKKJSC-QGZVFWFLSA-N 1 2 381.436 3.506 10 0 GHAELO O=C(NC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccoc2)no1)Nc1ccccc1 ZINC000105607980 884821485 /nfs/dbraw/zinc/82/14/85/884821485.db2.gz MFVKGJDMDKKJSC-QGZVFWFLSA-N 1 2 381.436 3.506 10 0 GHAELO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)CCCc2nc3ccccc3s2)C1 ZINC000119147259 886430040 /nfs/dbraw/zinc/43/00/40/886430040.db2.gz DYZDCXYCGYOCKC-INIZCTEOSA-N 1 2 382.533 3.834 10 0 GHAELO Cc1ccc([C@H]2CN(C(=O)N[C@H](C)c3cccc(-n4cc[nH+]c4)c3)CCO2)o1 ZINC000120736117 886530067 /nfs/dbraw/zinc/53/00/67/886530067.db2.gz XKEMZCOLYCREAK-OXQOHEQNSA-N 1 2 380.448 3.618 10 0 GHAELO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195354375 888655156 /nfs/dbraw/zinc/65/51/56/888655156.db2.gz DFVSJTDUENWAMV-KRWDZBQOSA-N 1 2 395.532 3.764 10 0 GHAELO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000195354375 888655167 /nfs/dbraw/zinc/65/51/67/888655167.db2.gz DFVSJTDUENWAMV-KRWDZBQOSA-N 1 2 395.532 3.764 10 0 GHAELO O=C(C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246759258 891303667 /nfs/dbraw/zinc/30/36/67/891303667.db2.gz QADGXVRBPXFQPH-FZMZJTMJSA-N 1 2 376.806 3.798 10 0 GHAELO O=C(C[N@H+]1CC[C@@H]2OCCC[C@H]2C1)Nc1c(Cl)cccc1C(F)(F)F ZINC000246759258 891303685 /nfs/dbraw/zinc/30/36/85/891303685.db2.gz QADGXVRBPXFQPH-FZMZJTMJSA-N 1 2 376.806 3.798 10 0 GHAELO c1cc([C@H]2CN(CCC[N@@H+]3CCO[C@@H](c4ccsc4)C3)CCO2)cs1 ZINC000246754179 891304900 /nfs/dbraw/zinc/30/49/00/891304900.db2.gz VQQDGIIWRYHVNT-RTBURBONSA-N 1 2 378.563 3.647 10 0 GHAELO c1cc([C@H]2CN(CCC[N@H+]3CCO[C@@H](c4ccsc4)C3)CCO2)cs1 ZINC000246754179 891304915 /nfs/dbraw/zinc/30/49/15/891304915.db2.gz VQQDGIIWRYHVNT-RTBURBONSA-N 1 2 378.563 3.647 10 0 GHAELO CC(=O)CC(C)(C)CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248866998 891476509 /nfs/dbraw/zinc/47/65/09/891476509.db2.gz CFMSLJDBLAZZIK-KXBFYZLASA-N 1 2 382.907 3.984 10 0 GHAELO CC(=O)CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000248866998 891476518 /nfs/dbraw/zinc/47/65/18/891476518.db2.gz CFMSLJDBLAZZIK-KXBFYZLASA-N 1 2 382.907 3.984 10 0 GHAELO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000183071105 907320453 /nfs/dbraw/zinc/32/04/53/907320453.db2.gz NUWIZQVFHFCZNG-GOSISDBHSA-N 1 2 393.495 3.932 10 0 GHAELO CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1 ZINC000183071105 907320473 /nfs/dbraw/zinc/32/04/73/907320473.db2.gz NUWIZQVFHFCZNG-GOSISDBHSA-N 1 2 393.495 3.932 10 0 GHAELO C[N@H+](Cc1cnc(Cl)nc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074906 222328862 /nfs/dbraw/zinc/32/88/62/222328862.db2.gz FCVDCLKLGJCYSM-GFCCVEGCSA-N 1 2 375.300 3.615 10 0 GHAELO C[N@@H+](Cc1cnc(Cl)nc1Cl)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074906 222328865 /nfs/dbraw/zinc/32/88/65/222328865.db2.gz FCVDCLKLGJCYSM-GFCCVEGCSA-N 1 2 375.300 3.615 10 0 GHAELO O[C@@H]1CCCN(c2[nH+]c3ccccc3n2Cc2ccc(Br)cc2)C1 ZINC000095078252 222329287 /nfs/dbraw/zinc/32/92/87/222329287.db2.gz WEKUOWQTJJIIFO-MRXNPFEDSA-N 1 2 386.293 3.808 10 0 GHAELO OC(c1ccccc1)(c1ccccc1)N1CC[NH+](Cc2ccccc2F)CC1 ZINC000020509443 570264683 /nfs/dbraw/zinc/26/46/83/570264683.db2.gz FBQDNWDXADOAED-UHFFFAOYSA-N 1 2 376.475 3.837 10 0 GHAELO OC(c1ccccc1)(c1ccccc1)[NH+]1CCN(Cc2ccccc2F)CC1 ZINC000020509443 570264684 /nfs/dbraw/zinc/26/46/84/570264684.db2.gz FBQDNWDXADOAED-UHFFFAOYSA-N 1 2 376.475 3.837 10 0 GHAELO CC(C)CNC(=O)c1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)o1 ZINC000034668653 570292967 /nfs/dbraw/zinc/29/29/67/570292967.db2.gz BSMVLUFXZYTPLP-UHFFFAOYSA-N 1 2 375.900 3.641 10 0 GHAELO Cc1ccccc1-c1cc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)n(C)n1 ZINC000153592164 848699344 /nfs/dbraw/zinc/69/93/44/848699344.db2.gz UEEKVIIPLHQVEH-UHFFFAOYSA-N 1 2 390.491 3.535 10 0 GHAELO C[C@@H]1CCCN(c2cc(NC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)[nH+]cn2)C1 ZINC000330049302 862531532 /nfs/dbraw/zinc/53/15/32/862531532.db2.gz KQQFHDKEDQRKGJ-KGLIPLIRSA-N 1 2 394.445 3.603 10 0 GHAELO C[C@@H]1CCCN(c2cc(NC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)nc[nH+]2)C1 ZINC000330049302 862531546 /nfs/dbraw/zinc/53/15/46/862531546.db2.gz KQQFHDKEDQRKGJ-KGLIPLIRSA-N 1 2 394.445 3.603 10 0 GHAELO C[C@H]1CCCN(c2cc(NC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)[nH+]cn2)C1 ZINC000330049301 862531707 /nfs/dbraw/zinc/53/17/07/862531707.db2.gz KQQFHDKEDQRKGJ-KBPBESRZSA-N 1 2 394.445 3.603 10 0 GHAELO C[C@H]1CCCN(c2cc(NC[C@@H]3CCc4nc(C(F)(F)F)cn4C3)nc[nH+]2)C1 ZINC000330049301 862531713 /nfs/dbraw/zinc/53/17/13/862531713.db2.gz KQQFHDKEDQRKGJ-KBPBESRZSA-N 1 2 394.445 3.603 10 0 GHAELO Cc1cc([C@@H]2CCCN(c3cc[nH+]c(N[C@@H]4CCCO[C@H]4C(C)C)n3)C2)[nH]n1 ZINC000328786069 854556229 /nfs/dbraw/zinc/55/62/29/854556229.db2.gz JACWGZKUGFRMLY-HLIPFELVSA-N 1 2 384.528 3.508 10 0 GHAELO Nc1nc(C[NH+]2CCC(c3nccs3)CC2)nc2sc3c(c21)CCCC3 ZINC000328983182 854640569 /nfs/dbraw/zinc/64/05/69/854640569.db2.gz FMJBLFBKXKTTMT-UHFFFAOYSA-N 1 2 385.562 3.988 10 0 GHAELO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC000193576453 855919422 /nfs/dbraw/zinc/91/94/22/855919422.db2.gz YOCOQEQJYWQUEC-WOJBJXKFSA-N 1 2 384.520 3.583 10 0 GHAELO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1COCC[N@H+]1C1CCCC1 ZINC000193576453 855919426 /nfs/dbraw/zinc/91/94/26/855919426.db2.gz YOCOQEQJYWQUEC-WOJBJXKFSA-N 1 2 384.520 3.583 10 0 GHAELO Cc1sc2nc([C@H](C)[N@@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034810 860964954 /nfs/dbraw/zinc/96/49/54/860964954.db2.gz MOBZLPPJTDEJIL-GXFFZTMASA-N 1 2 385.493 3.825 10 0 GHAELO Cc1sc2nc([C@H](C)[N@H+]3CC[C@@H](c4nc(C5CC5)no4)C3)[nH]c(=O)c2c1C ZINC000329034810 860964966 /nfs/dbraw/zinc/96/49/66/860964966.db2.gz MOBZLPPJTDEJIL-GXFFZTMASA-N 1 2 385.493 3.825 10 0 GHAELO Cc1nc(CC(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cs1 ZINC000021529294 875858294 /nfs/dbraw/zinc/85/82/94/875858294.db2.gz GOHOWYPTMPQFTB-UHFFFAOYSA-N 1 2 384.530 3.648 10 0 GHAELO Cc1nc(CC(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cs1 ZINC000021529294 875858301 /nfs/dbraw/zinc/85/83/01/875858301.db2.gz GOHOWYPTMPQFTB-UHFFFAOYSA-N 1 2 384.530 3.648 10 0 GHAELO O=C(CCc1cc(Br)cs1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186445008 883646559 /nfs/dbraw/zinc/64/65/59/883646559.db2.gz ITLODDNTAKPECV-UHFFFAOYSA-N 1 2 394.338 3.577 10 0 GHAELO Cc1ccc(NC(=O)c2nnc(C[NH2+][C@H]3CCCC[C@H]3n3cccn3)s2)cc1 ZINC000128032355 887138441 /nfs/dbraw/zinc/13/84/41/887138441.db2.gz TYZDGJGWZSWCSX-DLBZAZTESA-N 1 2 396.520 3.569 10 0 GHAELO COCc1ccccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245901409 889977388 /nfs/dbraw/zinc/97/73/88/889977388.db2.gz UENSTZARUJCIIW-RTBURBONSA-N 1 2 375.419 3.678 10 0 GHAELO COCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245901409 889977403 /nfs/dbraw/zinc/97/74/03/889977403.db2.gz UENSTZARUJCIIW-RTBURBONSA-N 1 2 375.419 3.678 10 0 GHAELO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000332756079 836557446 /nfs/dbraw/zinc/55/74/46/836557446.db2.gz BMBRXYRIGDKLIG-FUHWJXTLSA-N 1 2 380.492 3.756 10 0 GHAELO CC(C)c1nc([C@@H]2CCC[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853818 862375294 /nfs/dbraw/zinc/37/52/94/862375294.db2.gz SHBPTZPOSZXWOF-PBHICJAKSA-N 1 2 388.899 3.831 10 0 GHAELO CC(C)c1nc([C@@H]2CCC[N@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)no1 ZINC000329853818 862375312 /nfs/dbraw/zinc/37/53/12/862375312.db2.gz SHBPTZPOSZXWOF-PBHICJAKSA-N 1 2 388.899 3.831 10 0 GHAELO C[N@@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@H]21 ZINC000328968176 854636531 /nfs/dbraw/zinc/63/65/31/854636531.db2.gz UBXGSIOKBKKNCT-UXHICEINSA-N 1 2 385.439 3.555 10 0 GHAELO C[N@H+]1CCO[C@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@H]21 ZINC000328968176 854636539 /nfs/dbraw/zinc/63/65/39/854636539.db2.gz UBXGSIOKBKKNCT-UXHICEINSA-N 1 2 385.439 3.555 10 0 GHAELO C[N@@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@H]21 ZINC000328968178 854636772 /nfs/dbraw/zinc/63/67/72/854636772.db2.gz UBXGSIOKBKKNCT-WOJBJXKFSA-N 1 2 385.439 3.555 10 0 GHAELO C[N@H+]1CCO[C@@H]2CCN(C(=O)Nc3ccc(Oc4cccc(F)c4)cc3)C[C@H]21 ZINC000328968178 854636776 /nfs/dbraw/zinc/63/67/76/854636776.db2.gz UBXGSIOKBKKNCT-WOJBJXKFSA-N 1 2 385.439 3.555 10 0 GHAELO Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@H]([NH+]3CCOCC3)C2)c1 ZINC000173779014 860442999 /nfs/dbraw/zinc/44/29/99/860442999.db2.gz OWLKPODMLYKLRB-SFHVURJKSA-N 1 2 381.476 3.726 10 0 GHAELO Cc1cccc2[nH]cc(CCNC(=O)NCc3ccc(-n4cc[nH+]c4)c(F)c3)c21 ZINC000103180951 863903592 /nfs/dbraw/zinc/90/35/92/863903592.db2.gz HGVSZMVRAULYAQ-UHFFFAOYSA-N 1 2 391.450 3.843 10 0 GHAELO O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC(Cc2ccccn2)CC1 ZINC000171899966 882148638 /nfs/dbraw/zinc/14/86/38/882148638.db2.gz NGLFQCDZHMOJAN-UHFFFAOYSA-N 1 2 393.535 3.631 10 0 GHAELO Cc1cc(NC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)ccc1NC(=O)c1ccco1 ZINC000180448865 883059646 /nfs/dbraw/zinc/05/96/46/883059646.db2.gz DZMXPUNCWZAQHQ-KRWDZBQOSA-N 1 2 393.447 3.733 10 0 GHAELO O=C(c1cc(-c2ccc(Cl)s2)on1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000183548084 883270037 /nfs/dbraw/zinc/27/00/37/883270037.db2.gz FDSHLVIRNGEZJF-UHFFFAOYSA-N 1 2 388.880 3.804 10 0 GHAELO Cc1cccc(OC(F)F)c1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184101240 883319454 /nfs/dbraw/zinc/31/94/54/883319454.db2.gz ARTGORCEAGFMIV-UHFFFAOYSA-N 1 2 376.407 3.736 10 0 GHAELO Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186037393 883606421 /nfs/dbraw/zinc/60/64/21/883606421.db2.gz ZRALCHWDCRCZFC-UHFFFAOYSA-N 1 2 390.491 3.628 10 0 GHAELO O=C(c1cnc(-c2ccccc2F)s1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186450340 883646684 /nfs/dbraw/zinc/64/66/84/883646684.db2.gz GVWFVZFDJOQNKB-UHFFFAOYSA-N 1 2 382.464 3.697 10 0 GHAELO Nc1c(Cl)cc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1Cl ZINC000192312200 884251723 /nfs/dbraw/zinc/25/17/23/884251723.db2.gz ZTKRAZTWYFCJLO-UHFFFAOYSA-N 1 2 380.279 3.715 10 0 GHAELO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195354382 888655091 /nfs/dbraw/zinc/65/50/91/888655091.db2.gz DFVSJTDUENWAMV-QGZVFWFLSA-N 1 2 395.532 3.764 10 0 GHAELO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195354382 888655103 /nfs/dbraw/zinc/65/51/03/888655103.db2.gz DFVSJTDUENWAMV-QGZVFWFLSA-N 1 2 395.532 3.764 10 0 GHAELO CC(C)(C)OC(=O)NCC1CC[NH+](Cc2cnc(Cl)nc2Cl)CC1 ZINC000095087912 222330391 /nfs/dbraw/zinc/33/03/91/222330391.db2.gz MYQMKUZCMNYMCC-UHFFFAOYSA-N 1 2 375.300 3.520 10 0 GHAELO O=C1[C@@H]2C[C@@H](C[N@@H+]2Cc2ccccn2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111787 222382206 /nfs/dbraw/zinc/38/22/06/222382206.db2.gz NEKVRZOBUHKGTI-UNMCSNQZSA-N 1 2 385.467 3.650 10 0 biogenic GHAELO O=C1[C@@H]2C[C@@H](C[N@H+]2Cc2ccccn2)Oc2ccccc2N1Cc1ccccc1 ZINC000096111787 222382209 /nfs/dbraw/zinc/38/22/09/222382209.db2.gz NEKVRZOBUHKGTI-UNMCSNQZSA-N 1 2 385.467 3.650 10 0 biogenic GHAELO C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000245728394 844082010 /nfs/dbraw/zinc/08/20/10/844082010.db2.gz XXSATFQIOJBFPG-WSTZPKSXSA-N 1 2 387.430 3.533 10 0 GHAELO C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CCOc3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000245728394 844082019 /nfs/dbraw/zinc/08/20/19/844082019.db2.gz XXSATFQIOJBFPG-WSTZPKSXSA-N 1 2 387.430 3.533 10 0 GHAELO O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCC[C@@H](c2nccs2)C1 ZINC000159213476 835764093 /nfs/dbraw/zinc/76/40/93/835764093.db2.gz FKZXARBVZMLVEP-MRXNPFEDSA-N 1 2 397.504 3.830 10 0 GHAELO Cn1cc[nH+]c1[C@H]1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000332756080 836557246 /nfs/dbraw/zinc/55/72/46/836557246.db2.gz BMBRXYRIGDKLIG-WMZOPIPTSA-N 1 2 380.492 3.756 10 0 GHAELO C[C@H](NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(-n2cc[nH+]c2)c1 ZINC000246566381 842051514 /nfs/dbraw/zinc/05/15/14/842051514.db2.gz LUMAQJNZZBIMIZ-OBZTUIKSSA-N 1 2 380.492 3.580 10 0 GHAELO CC(C)c1nc([C@H]2CCC[N@@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330243 861293388 /nfs/dbraw/zinc/29/33/88/861293388.db2.gz LPAYOEUXIXVPSJ-YJBOKZPZSA-N 1 2 386.471 3.707 10 0 GHAELO CC(C)c1nc([C@H]2CCC[N@H+]([C@H]3CCCN(c4cccc(F)c4)C3=O)C2)no1 ZINC000329330243 861293402 /nfs/dbraw/zinc/29/34/02/861293402.db2.gz LPAYOEUXIXVPSJ-YJBOKZPZSA-N 1 2 386.471 3.707 10 0 GHAELO CCOc1ccccc1[C@H](CC)NC(=O)NC1CCN(c2cccc[nH+]2)CC1 ZINC000101617137 851756165 /nfs/dbraw/zinc/75/61/65/851756165.db2.gz MTTXXXRBADMKHT-IBGZPJMESA-N 1 2 382.508 3.900 10 0 GHAELO COc1ccccc1-c1nnc(CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)o1 ZINC000179639947 883016933 /nfs/dbraw/zinc/01/69/33/883016933.db2.gz GWXMWTQBJFXHHN-INIZCTEOSA-N 1 2 396.466 3.763 10 0 GHAELO COC(=O)[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121716457 877678945 /nfs/dbraw/zinc/67/89/45/877678945.db2.gz MADRXKNYGJYUDB-AZUAARDMSA-N 1 2 376.460 3.565 10 0 GHAELO COC(=O)[C@@H](c1cccnc1)[N@H+]1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121716457 877678959 /nfs/dbraw/zinc/67/89/59/877678959.db2.gz MADRXKNYGJYUDB-AZUAARDMSA-N 1 2 376.460 3.565 10 0 GHAELO Cc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1OCC(F)F ZINC000184098768 883316461 /nfs/dbraw/zinc/31/64/61/883316461.db2.gz MYVTWUAOJRSFLW-UHFFFAOYSA-N 1 2 390.434 3.778 10 0 GHAELO COC(=O)c1ccc(Cl)c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1C ZINC000184060402 883332134 /nfs/dbraw/zinc/33/21/34/883332134.db2.gz UGRWRJVNMLRQCS-LRDDRELGSA-N 1 2 390.871 3.747 10 0 GHAELO C[C@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1ccc(OC(F)F)cc1 ZINC000186318367 883633071 /nfs/dbraw/zinc/63/30/71/883633071.db2.gz WEEKLWFJGGRTRN-HNNXBMFYSA-N 1 2 390.434 3.666 10 0 GHAELO C[C@@H](NC(=O)N1CCCN(c2cccc[nH+]2)CC1)c1cccc(OC(F)F)c1 ZINC000186347885 883651154 /nfs/dbraw/zinc/65/11/54/883651154.db2.gz DXYZCIVWELYKOP-OAHLLOKOSA-N 1 2 390.434 3.666 10 0 GHAELO O=C(CCc1cccc(Br)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186373936 883652181 /nfs/dbraw/zinc/65/21/81/883652181.db2.gz HRKLATONTOIAKT-UHFFFAOYSA-N 1 2 388.309 3.516 10 0 GHAELO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1Br ZINC000151687695 885736566 /nfs/dbraw/zinc/73/65/66/885736566.db2.gz CVBMCHZCKJUIRF-KEYYUXOJSA-N 1 2 391.313 3.999 10 0 GHAELO O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103304128 898083209 /nfs/dbraw/zinc/08/32/09/898083209.db2.gz IKTODVQPYMAYDE-UHFFFAOYSA-N 1 2 395.438 3.756 10 0 GHAELO C[N@H+](Cc1cnc(Cl)nc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074908 222329339 /nfs/dbraw/zinc/32/93/39/222329339.db2.gz FCVDCLKLGJCYSM-LBPRGKRZSA-N 1 2 375.300 3.615 10 0 GHAELO C[N@@H+](Cc1cnc(Cl)nc1Cl)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095074908 222329341 /nfs/dbraw/zinc/32/93/41/222329341.db2.gz FCVDCLKLGJCYSM-LBPRGKRZSA-N 1 2 375.300 3.615 10 0 GHAELO C[N@@H+](Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075344 222329608 /nfs/dbraw/zinc/32/96/08/222329608.db2.gz CLXJBNSMJKKWJR-LBPRGKRZSA-N 1 2 375.300 3.615 10 0 GHAELO C[N@H+](Cc1cnc(Cl)nc1Cl)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000095075344 222329609 /nfs/dbraw/zinc/32/96/09/222329609.db2.gz CLXJBNSMJKKWJR-LBPRGKRZSA-N 1 2 375.300 3.615 10 0 GHAELO Clc1ccc(-n2cc(-c3nc([C@@H]4C[N@@H+]5CCCC[C@H]5CO4)no3)cn2)cc1 ZINC000329742859 835845851 /nfs/dbraw/zinc/84/58/51/835845851.db2.gz WVLNXMWMUKULSI-IRXDYDNUSA-N 1 2 385.855 3.502 10 0 GHAELO Clc1ccc(-n2cc(-c3nc([C@@H]4C[N@H+]5CCCC[C@H]5CO4)no3)cn2)cc1 ZINC000329742859 835845861 /nfs/dbraw/zinc/84/58/61/835845861.db2.gz WVLNXMWMUKULSI-IRXDYDNUSA-N 1 2 385.855 3.502 10 0 GHAELO Cc1csc([C@H]2CCC[N@H+](CC(=O)Nc3nc4c(s3)CCCC4)C2)n1 ZINC000156982870 852526367 /nfs/dbraw/zinc/52/63/67/852526367.db2.gz ZJZGMPHLDSJPGQ-ZDUSSCGKSA-N 1 2 376.551 3.605 10 0 GHAELO Cc1csc([C@H]2CCC[N@@H+](CC(=O)Nc3nc4c(s3)CCCC4)C2)n1 ZINC000156982870 852526371 /nfs/dbraw/zinc/52/63/71/852526371.db2.gz ZJZGMPHLDSJPGQ-ZDUSSCGKSA-N 1 2 376.551 3.605 10 0 GHAELO O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000157580068 854273653 /nfs/dbraw/zinc/27/36/53/854273653.db2.gz DHPXYWGBGHGUJS-LJQANCHMSA-N 1 2 392.503 3.750 10 0 GHAELO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)cc2)cc1 ZINC000328957386 854615974 /nfs/dbraw/zinc/61/59/74/854615974.db2.gz NYFMKZIBPAIWOE-LEWJYISDSA-N 1 2 381.476 3.724 10 0 GHAELO Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]4OCC[N@H+](C)[C@H]4C3)cc2)cc1 ZINC000328957386 854615978 /nfs/dbraw/zinc/61/59/78/854615978.db2.gz NYFMKZIBPAIWOE-LEWJYISDSA-N 1 2 381.476 3.724 10 0 GHAELO COc1c(C)cc(C[N@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1C ZINC000101566285 872105993 /nfs/dbraw/zinc/10/59/93/872105993.db2.gz WUKUCFYRZYVTPM-UHFFFAOYSA-N 1 2 383.460 3.940 10 0 GHAELO COc1c(C)cc(C[N@@H+](C)Cc2ccc(S(=O)(=O)C(F)F)cc2)cc1C ZINC000101566285 872106007 /nfs/dbraw/zinc/10/60/07/872106007.db2.gz WUKUCFYRZYVTPM-UHFFFAOYSA-N 1 2 383.460 3.940 10 0 GHAELO O=C(Nc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000177746041 882821662 /nfs/dbraw/zinc/82/16/62/882821662.db2.gz ROVRHBIOCRIBDX-QGZVFWFLSA-N 1 2 380.473 3.502 10 0 GHAELO C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1ccc2c(c1)CCC(=O)N2 ZINC000179982868 883042191 /nfs/dbraw/zinc/04/21/91/883042191.db2.gz PZCCEEARZOSFOR-LLVKDONJSA-N 1 2 384.386 3.750 10 0 GHAELO Cc1ccc(-c2ccc(C(=O)N3CCCC[C@H]([NH+]4CCN(C)CC4)C3)s2)o1 ZINC000183205797 883272855 /nfs/dbraw/zinc/27/28/55/883272855.db2.gz CNLDXKRQTVQISY-KRWDZBQOSA-N 1 2 387.549 3.559 10 0 GHAELO O=C(Nc1ccc(F)cc1OCC(F)F)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184143265 883324450 /nfs/dbraw/zinc/32/44/50/883324450.db2.gz YDKNEUILGSWQGF-UHFFFAOYSA-N 1 2 394.397 3.609 10 0 GHAELO COc1ccc(NC(=O)N2CCCN(c3cccc[nH+]3)CC2)cc1OC(C)C ZINC000184181939 883327262 /nfs/dbraw/zinc/32/72/62/883327262.db2.gz RALNOBCYHCGQOW-UHFFFAOYSA-N 1 2 384.480 3.622 10 0 GHAELO O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000184227800 883337622 /nfs/dbraw/zinc/33/76/22/883337622.db2.gz SATMSRDBCMVJLL-QGZVFWFLSA-N 1 2 394.302 3.551 10 0 GHAELO O=C(c1ccc(C2SCCS2)cc1)N1CCCN(c2cccc[nH+]2)CC1 ZINC000186405130 883641262 /nfs/dbraw/zinc/64/12/62/883641262.db2.gz AJNKWBXVELDCTF-UHFFFAOYSA-N 1 2 385.558 3.913 10 0 GHAELO FC(F)(F)c1nnc(N2CCC[N@H+](CCC(Cl)(Cl)Cl)CC2)s1 ZINC000191302067 884171268 /nfs/dbraw/zinc/17/12/68/884171268.db2.gz MVNGKYHCIRUEKV-UHFFFAOYSA-N 1 2 397.681 3.829 10 0 GHAELO FC(F)(F)c1nnc(N2CCC[N@@H+](CCC(Cl)(Cl)Cl)CC2)s1 ZINC000191302067 884171275 /nfs/dbraw/zinc/17/12/75/884171275.db2.gz MVNGKYHCIRUEKV-UHFFFAOYSA-N 1 2 397.681 3.829 10 0 GHAELO Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c(F)c1 ZINC000042628292 886797437 /nfs/dbraw/zinc/79/74/37/886797437.db2.gz DXTJEISPNYLGJT-QGZVFWFLSA-N 1 2 389.515 3.576 10 0 GHAELO O=c1c(-c2cccc(Cl)c2)cc(-c2ccccc2)nn1CC[NH+]1CCOCC1 ZINC000031571509 212159463 /nfs/dbraw/zinc/15/94/63/212159463.db2.gz YKNCRNHKWFDFFP-UHFFFAOYSA-N 1 2 395.890 3.563 10 0 GHAELO C[C@@H]1C[N@H+](CC(=O)NCc2scnc2-c2ccccc2)Cc2ccccc2O1 ZINC000011872445 221133847 /nfs/dbraw/zinc/13/38/47/221133847.db2.gz HJLNRRDGILOEQI-MRXNPFEDSA-N 1 2 393.512 3.709 10 0 GHAELO C[C@@H]1C[N@@H+](CC(=O)NCc2scnc2-c2ccccc2)Cc2ccccc2O1 ZINC000011872445 221133851 /nfs/dbraw/zinc/13/38/51/221133851.db2.gz HJLNRRDGILOEQI-MRXNPFEDSA-N 1 2 393.512 3.709 10 0 GHAELO