smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000036719628 521809922 /nfs/dbraw/zinc/80/99/22/521809922.db2.gz YREZQDQNYOVKIQ-UNMCSNQZSA-N 1 1 435.593 4.843 40 0 IJABMO COc1cc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)ccc1OC(C)C ZINC000044905243 522427679 /nfs/dbraw/zinc/42/76/79/522427679.db2.gz VTRGDGUXXMKEME-HXUWFJFHSA-N 1 1 430.976 4.664 40 0 IJABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C(F)(F)F)cc3)n2)ccn1 ZINC000035424823 524037777 /nfs/dbraw/zinc/03/77/77/524037777.db2.gz PWWCYHSOLTZRKM-SFHVURJKSA-N 1 1 448.445 4.513 40 0 biogenic,in-vitro IJABMO COCCOc1cc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C(F)(F)F)cc3)n2)ccn1 ZINC000035424823 524037779 /nfs/dbraw/zinc/03/77/79/524037779.db2.gz PWWCYHSOLTZRKM-SFHVURJKSA-N 1 1 448.445 4.513 40 0 biogenic,in-vitro IJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)cc2)C1 ZINC000022523459 524233993 /nfs/dbraw/zinc/23/39/93/524233993.db2.gz UQGDYLQIKAJUKV-LJQANCHMSA-N 1 1 431.536 4.694 40 0 IJABMO COc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1OC ZINC000020451319 525315374 /nfs/dbraw/zinc/31/53/74/525315374.db2.gz SOUYFXSWSGYPRW-IBGZPJMESA-N 1 1 430.548 4.753 40 0 IJABMO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000030939523 556515955 /nfs/dbraw/zinc/51/59/55/556515955.db2.gz JXDJDSWHDYMVII-UHFFFAOYSA-N 1 1 448.394 4.984 40 0 IJABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195542 556590110 /nfs/dbraw/zinc/59/01/10/556590110.db2.gz KCEFCSYAFSTFHZ-UHFFFAOYSA-N 1 1 431.305 4.861 40 0 IJABMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 ZINC000036628246 556599177 /nfs/dbraw/zinc/59/91/77/556599177.db2.gz ULXBQZFXICCAJE-UHFFFAOYSA-N 1 1 439.563 4.845 40 0 IJABMO c1ccc(COc2ccccc2C[N@H+]2CCOC[C@@H](Cc3ccc4cnccc4c3)C2)nc1 ZINC000257201916 556701297 /nfs/dbraw/zinc/70/12/97/556701297.db2.gz AJQAPJYUUYCZAA-QHCPKHFHSA-N 1 1 439.559 4.900 40 0 IJABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000257235930 556710082 /nfs/dbraw/zinc/71/00/82/556710082.db2.gz HACKTNOVTDPUSH-XNMGPUDCSA-N 1 1 430.548 4.619 40 0 IJABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000257235930 556710083 /nfs/dbraw/zinc/71/00/83/556710083.db2.gz HACKTNOVTDPUSH-XNMGPUDCSA-N 1 1 430.548 4.619 40 0 IJABMO CSc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3ncccc3C)CC2)cc1 ZINC000019237682 556722873 /nfs/dbraw/zinc/72/28/73/556722873.db2.gz LEWKAQFMPBJHKD-VWLOTQADSA-N 1 1 437.584 4.655 40 0 IJABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(OC)c1 ZINC000019239799 556725656 /nfs/dbraw/zinc/72/56/56/556725656.db2.gz OUZHFQOGPNORGG-HSZRJFAPSA-N 1 1 447.583 4.657 40 0 IJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019370370 556747661 /nfs/dbraw/zinc/74/76/61/556747661.db2.gz DFWWUGIMIGGTDE-QFQXNSOFSA-N 1 1 435.518 4.672 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1cccc(F)c1 ZINC000019400560 556753118 /nfs/dbraw/zinc/75/31/18/556753118.db2.gz OVDVIHZHNCOBMB-NTKDMRAZSA-N 1 1 439.481 4.882 40 0 IJABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926131 556753181 /nfs/dbraw/zinc/75/31/81/556753181.db2.gz KBQXEUNBWKOEHM-UHFFFAOYSA-N 1 1 434.588 4.663 40 0 IJABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000926131 556753185 /nfs/dbraw/zinc/75/31/85/556753185.db2.gz KBQXEUNBWKOEHM-UHFFFAOYSA-N 1 1 434.588 4.663 40 0 IJABMO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000000927308 556753494 /nfs/dbraw/zinc/75/34/94/556753494.db2.gz HYHFCOIDZRQYLL-UHFFFAOYSA-N 1 1 436.604 4.611 40 0 IJABMO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000000927308 556753497 /nfs/dbraw/zinc/75/34/97/556753497.db2.gz HYHFCOIDZRQYLL-UHFFFAOYSA-N 1 1 436.604 4.611 40 0 IJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)cc12 ZINC000000926937 556753873 /nfs/dbraw/zinc/75/38/73/556753873.db2.gz IQISMZSLBLYJSD-UHFFFAOYSA-N 1 1 434.588 4.581 40 0 IJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)cc12 ZINC000000926937 556753877 /nfs/dbraw/zinc/75/38/77/556753877.db2.gz IQISMZSLBLYJSD-UHFFFAOYSA-N 1 1 434.588 4.581 40 0 IJABMO CC(C)c1ccc(C[N@H+]2CCC[C@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1 ZINC000019453208 556764036 /nfs/dbraw/zinc/76/40/36/556764036.db2.gz MFQMLPUZMBUBED-HHHXNRCGSA-N 1 1 428.580 4.577 40 0 IJABMO CC(C)c1ncc(C[N@H+]2CCC[C@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cn1 ZINC000019454026 556764725 /nfs/dbraw/zinc/76/47/25/556764725.db2.gz SBPCIEMDMYDHMB-HHHXNRCGSA-N 1 1 428.580 4.577 40 0 IJABMO C[C@H](C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459244 556766764 /nfs/dbraw/zinc/76/67/64/556766764.db2.gz CZQAOFSERGHJRE-YADARESESA-N 1 1 448.611 4.588 40 0 IJABMO COc1ccc(Cn2nnnc2[C@H](c2cccs2)[N@@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000001328272 556773681 /nfs/dbraw/zinc/77/36/81/556773681.db2.gz AGABCGGCCUBXOQ-QFIPXVFZSA-N 1 1 437.613 4.927 40 0 IJABMO COc1ccc(Cn2nnnc2[C@H](c2cccs2)[N@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000001328272 556773685 /nfs/dbraw/zinc/77/36/85/556773685.db2.gz AGABCGGCCUBXOQ-QFIPXVFZSA-N 1 1 437.613 4.927 40 0 IJABMO CCOc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1OC ZINC000019533847 556793648 /nfs/dbraw/zinc/79/36/48/556793648.db2.gz STTSQCJGOJUBJH-QFIPXVFZSA-N 1 1 447.583 4.739 40 0 IJABMO COc1ccc(C[N@@H+](Cc2[nH]c3ccc(F)cc3c2C)C[C@H]2CCCO2)c(OC)c1OC ZINC000019565425 556806230 /nfs/dbraw/zinc/80/62/30/556806230.db2.gz GUEHJZSSWCASIZ-LJQANCHMSA-N 1 1 442.531 4.822 40 0 IJABMO COc1ccc(C[N@H+](Cc2[nH]c3ccc(F)cc3c2C)C[C@H]2CCCO2)c(OC)c1OC ZINC000019565425 556806231 /nfs/dbraw/zinc/80/62/31/556806231.db2.gz GUEHJZSSWCASIZ-LJQANCHMSA-N 1 1 442.531 4.822 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019568882 556808946 /nfs/dbraw/zinc/80/89/46/556808946.db2.gz LDCOBNLGPJDKHU-OAHLLOKOSA-N 1 1 435.446 4.947 40 0 IJABMO COc1cccc(OC)c1C[N@H+]1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c32)C1 ZINC000019568861 556809022 /nfs/dbraw/zinc/80/90/22/556809022.db2.gz LAXSSQKPXXRHNP-AWEZNQCLSA-N 1 1 435.446 4.947 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@](O)(c3ccc(F)cc3)CC2)cc1Cn1nc(C)cc1C ZINC000019574433 556814486 /nfs/dbraw/zinc/81/44/86/556814486.db2.gz JCIMSGXIHQPVOI-AREMUKBSSA-N 1 1 437.559 4.570 40 0 IJABMO COc1ccc(-c2c(C)nn3c2nccc3[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000019582241 556819922 /nfs/dbraw/zinc/81/99/22/556819922.db2.gz RBMWKVIZLQBMFN-OAQYLSRUSA-N 1 1 428.536 4.711 40 0 IJABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000006300982 556832041 /nfs/dbraw/zinc/83/20/41/556832041.db2.gz MRMQZODRQCRGQW-XMMPIXPASA-N 1 1 448.615 4.991 40 0 IJABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000006300982 556832042 /nfs/dbraw/zinc/83/20/42/556832042.db2.gz MRMQZODRQCRGQW-XMMPIXPASA-N 1 1 448.615 4.991 40 0 IJABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cc1 ZINC000019689991 556845294 /nfs/dbraw/zinc/84/52/94/556845294.db2.gz JQMBYVBIQACGGF-QHCPKHFHSA-N 1 1 433.531 4.644 40 0 IJABMO COCCc1ncc(C[N@@H+]2CCC[C@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)cn1 ZINC000019691893 556847654 /nfs/dbraw/zinc/84/76/54/556847654.db2.gz IPXZGEWYNVTZLJ-DEOSSOPVSA-N 1 1 436.987 4.950 40 0 IJABMO COCCc1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)cn1 ZINC000019691893 556847655 /nfs/dbraw/zinc/84/76/55/556847655.db2.gz IPXZGEWYNVTZLJ-DEOSSOPVSA-N 1 1 436.987 4.950 40 0 IJABMO CCn1ncc(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)c1C ZINC000019693960 556848951 /nfs/dbraw/zinc/84/89/51/556848951.db2.gz PHVYQYGBSQVWPT-IBGZPJMESA-N 1 1 439.007 4.767 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@H](c3ccc4c(NCc5cccc(C)n5)n[nH]c4n3)C2)c1 ZINC000019742886 556886767 /nfs/dbraw/zinc/88/67/67/556886767.db2.gz COWMBQZAJKGTOI-FQEVSTJZSA-N 1 1 442.567 4.662 40 0 IJABMO COc1cccc(C[N@@H+]2CCC[C@H](c3ccc4c(n[nH]c4NCc4cccc(C)n4)n3)C2)c1 ZINC000019742886 556886770 /nfs/dbraw/zinc/88/67/70/556886770.db2.gz COWMBQZAJKGTOI-FQEVSTJZSA-N 1 1 442.567 4.662 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@H](c3ccc4c(n[nH]c4NCc4cccc(C)n4)n3)C2)c1 ZINC000019742886 556886775 /nfs/dbraw/zinc/88/67/75/556886775.db2.gz COWMBQZAJKGTOI-FQEVSTJZSA-N 1 1 442.567 4.662 40 0 IJABMO Cc1cc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc(C)c1O ZINC000072330433 556905445 /nfs/dbraw/zinc/90/54/45/556905445.db2.gz FSKZJEKNOIJYHI-OFNKIYASSA-N 1 1 435.593 4.849 40 0 IJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000072330481 556905730 /nfs/dbraw/zinc/90/57/30/556905730.db2.gz DFWWUGIMIGGTDE-LVXARBLLSA-N 1 1 435.518 4.672 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330521 556906250 /nfs/dbraw/zinc/90/62/50/556906250.db2.gz DEWBTMKTRLMKPD-BWKNWUBXSA-N 1 1 447.554 4.921 40 0 IJABMO COc1cccc(-c2ccc(C[N@@H+]3CCCC[C@@H]3c3ncc(C(=O)N(C)C)c(C)n3)cc2)c1 ZINC000019765218 556909656 /nfs/dbraw/zinc/90/96/56/556909656.db2.gz VFMZMJSWQQXFBK-RUZDIDTESA-N 1 1 444.579 4.890 40 0 IJABMO COc1cccc(-c2ccc(C[N@H+]3CCCC[C@@H]3c3ncc(C(=O)N(C)C)c(C)n3)cc2)c1 ZINC000019765218 556909658 /nfs/dbraw/zinc/90/96/58/556909658.db2.gz VFMZMJSWQQXFBK-RUZDIDTESA-N 1 1 444.579 4.890 40 0 IJABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)C2)c1 ZINC000019765485 556909918 /nfs/dbraw/zinc/90/99/18/556909918.db2.gz GRTCFVDKEJPLGI-JOCHJYFZSA-N 1 1 432.543 4.542 40 0 IJABMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([C@H](NC(C)=O)c4nccs4)C3)c2)cc1 ZINC000072337761 556910587 /nfs/dbraw/zinc/91/05/87/556910587.db2.gz RBYHDNJXBCXYID-UPVQGACJSA-N 1 1 435.593 4.908 40 0 IJABMO CC(=O)N1CCC([N@H+]2CCC[C@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000072350218 556920394 /nfs/dbraw/zinc/92/03/94/556920394.db2.gz BXRKVQXRNSEWKL-FQEVSTJZSA-N 1 1 445.529 4.882 40 0 IJABMO Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072353964 556928658 /nfs/dbraw/zinc/92/86/58/556928658.db2.gz UVDFPTCINADTNA-JOCHJYFZSA-N 1 1 448.998 4.525 40 0 IJABMO Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072353964 556928659 /nfs/dbraw/zinc/92/86/59/556928659.db2.gz UVDFPTCINADTNA-JOCHJYFZSA-N 1 1 448.998 4.525 40 0 IJABMO Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072353966 556928668 /nfs/dbraw/zinc/92/86/68/556928668.db2.gz WCSYUEAXCCPDKD-JOCHJYFZSA-N 1 1 448.998 4.525 40 0 IJABMO Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072353966 556928669 /nfs/dbraw/zinc/92/86/69/556928669.db2.gz WCSYUEAXCCPDKD-JOCHJYFZSA-N 1 1 448.998 4.525 40 0 IJABMO CCc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2cc(Cc3cccc(F)c3)cc(C)n2)C1 ZINC000072354065 556928836 /nfs/dbraw/zinc/92/88/36/556928836.db2.gz MKYDZMJLJNFLKA-JOCHJYFZSA-N 1 1 434.559 4.675 40 0 IJABMO Cc1nc2c(C)cccn2c1C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371736 556940319 /nfs/dbraw/zinc/94/03/19/556940319.db2.gz INKIBTRUYAWTSC-LJQANCHMSA-N 1 1 449.986 4.939 40 0 IJABMO Cc1nc2c(C)cccn2c1C[N@@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371736 556940324 /nfs/dbraw/zinc/94/03/24/556940324.db2.gz INKIBTRUYAWTSC-LJQANCHMSA-N 1 1 449.986 4.939 40 0 IJABMO Cc1nc2c(C)cccn2c1C[N@H+]1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371736 556940329 /nfs/dbraw/zinc/94/03/29/556940329.db2.gz INKIBTRUYAWTSC-LJQANCHMSA-N 1 1 449.986 4.939 40 0 IJABMO Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1cc(Nc2ccc(F)cn2)cc(C)[nH+]1 ZINC000072372614 556943471 /nfs/dbraw/zinc/94/34/71/556943471.db2.gz QVWNUHCSSJCYPX-QHCPKHFHSA-N 1 1 444.514 4.690 40 0 IJABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)COc3ccc(F)cc3)c2)s1 ZINC000072372661 556943734 /nfs/dbraw/zinc/94/37/34/556943734.db2.gz ZGBOYVKOBAKIIC-HXUWFJFHSA-N 1 1 426.517 4.780 40 0 IJABMO Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)c2n[nH]c3c2CCCCCC3)[nH+]1 ZINC000072372657 556943861 /nfs/dbraw/zinc/94/38/61/556943861.db2.gz CQDHVDLXFXMOEL-JOCHJYFZSA-N 1 1 430.556 4.888 40 0 IJABMO COCc1cc(C[N@H+]2CCC[C@H]2c2cccc(Nc3cnccn3)n2)ccc1OC(C)C ZINC000072375842 556953218 /nfs/dbraw/zinc/95/32/18/556953218.db2.gz QYHNBEBGWOMBHD-QFIPXVFZSA-N 1 1 433.556 4.886 40 0 IJABMO COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000409301426 557055634 /nfs/dbraw/zinc/05/56/34/557055634.db2.gz FNZPQUOKVZRQGD-UHFFFAOYSA-N 1 1 434.923 4.937 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@]23CCCN(C(=O)Cc2ccc(Cl)cc2)C3)cc1F ZINC000096214573 557183541 /nfs/dbraw/zinc/18/35/41/557183541.db2.gz NTMUSJNPSFVMLO-DEOSSOPVSA-N 1 1 430.951 4.687 40 0 IJABMO COc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(F)c1 ZINC000096315922 557198425 /nfs/dbraw/zinc/19/84/25/557198425.db2.gz DLMQVVALRSWQEM-HSZRJFAPSA-N 1 1 435.547 4.788 40 0 IJABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(F)c1 ZINC000096315922 557198429 /nfs/dbraw/zinc/19/84/29/557198429.db2.gz DLMQVVALRSWQEM-HSZRJFAPSA-N 1 1 435.547 4.788 40 0 IJABMO C[C@@]12C[C@H](c3ccccc3)[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)[C@@H]1CCC[C@@H](O)[C@@H]2O ZINC000585284115 557221707 /nfs/dbraw/zinc/22/17/07/557221707.db2.gz RJMWHHOLDDKRIK-UHAGIWBWSA-N 1 1 449.635 4.803 40 0 IJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501100 557324191 /nfs/dbraw/zinc/32/41/91/557324191.db2.gz HXLJHZQEEOIALV-JOCHJYFZSA-N 1 1 434.588 4.834 40 0 IJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501100 557324195 /nfs/dbraw/zinc/32/41/95/557324195.db2.gz HXLJHZQEEOIALV-JOCHJYFZSA-N 1 1 434.588 4.834 40 0 IJABMO O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222597641 557358993 /nfs/dbraw/zinc/35/89/93/557358993.db2.gz SZEYBJUGBGQYNT-JOCHJYFZSA-N 1 1 426.004 4.511 40 0 IJABMO CCCCn1nc(C)c2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000019643974 557522449 /nfs/dbraw/zinc/52/24/49/557522449.db2.gz GGZBWIBCQHAMIO-UHFFFAOYSA-N 1 1 445.611 4.684 40 0 IJABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1cccc(C)c1 ZINC000224387586 557600516 /nfs/dbraw/zinc/60/05/16/557600516.db2.gz YPHFIHFORFDZOY-UHFFFAOYSA-N 1 1 444.575 4.931 40 0 IJABMO C[C@@H]1C[C@H](C)C[N@H+](CCOc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225561419 557742637 /nfs/dbraw/zinc/74/26/37/557742637.db2.gz OZEFQEROOFICNT-SZPZYZBQSA-N 1 1 436.596 4.730 40 0 IJABMO Cc1nccn1-c1ccccc1CNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225582961 557747052 /nfs/dbraw/zinc/74/70/52/557747052.db2.gz MOPKTAHPAAGPPN-UHFFFAOYSA-N 1 1 440.950 4.502 40 0 IJABMO C[C@H]1Cc2cccc3c2n1cc(C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)c3=O ZINC000225862548 557786397 /nfs/dbraw/zinc/78/63/97/557786397.db2.gz QHZPAWRCKBJZOU-HNNXBMFYSA-N 1 1 446.938 4.552 40 0 IJABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@H](C)C4)cc3)CCOCC2)c1 ZINC000260814499 557857232 /nfs/dbraw/zinc/85/72/32/557857232.db2.gz JSDQSUNKDQDPCK-QFIPXVFZSA-N 1 1 436.596 4.793 40 0 IJABMO CCNc1nc(C)c(C(=O)N2[C@@H]3CCC[C@@H]4[N@@H+](C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)s1 ZINC000257203877 568666912 /nfs/dbraw/zinc/66/69/12/568666912.db2.gz ASAYJJNBFXIBHN-KHMSYKNRSA-N 1 1 438.641 4.582 40 0 IJABMO Cc1nc2cc([C@@H]3CCC[N@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257239317 568683477 /nfs/dbraw/zinc/68/34/77/568683477.db2.gz HOTMWWJVZVQFDF-DEOSSOPVSA-N 1 1 437.632 4.522 40 0 IJABMO C[N@H+]1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000257247078 568687061 /nfs/dbraw/zinc/68/70/61/568687061.db2.gz IXICUJFESPVTQR-MMDQYGTHSA-N 1 1 434.628 4.796 40 0 IJABMO CC(C)c1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)[C@@H]3Cc2ccccc2)n(C)n1 ZINC000257252038 568689706 /nfs/dbraw/zinc/68/97/06/568689706.db2.gz JTIBXDVJSOYVFI-VPYYATKVSA-N 1 1 434.628 4.632 40 0 IJABMO CC(=O)NCc1cc([C@@H]2CCC[N@H+]2Cc2cccc(OCc3ccc(F)cc3)c2)ccn1 ZINC000257252776 568689958 /nfs/dbraw/zinc/68/99/58/568689958.db2.gz JWCRAYUDSGXJOM-SANMLTNESA-N 1 1 433.527 4.773 40 0 IJABMO CC(=O)NCc1cc([C@H]2CCC[N@H+]2Cc2cccc(OCc3ccc(F)cc3)c2)ccn1 ZINC000257252775 568689961 /nfs/dbraw/zinc/68/99/61/568689961.db2.gz JWCRAYUDSGXJOM-AREMUKBSSA-N 1 1 433.527 4.773 40 0 IJABMO Cc1cc(Nc2ccccn2)cc([C@H]2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)[nH+]1 ZINC000257290079 568706712 /nfs/dbraw/zinc/70/67/12/568706712.db2.gz QBMNEFNOJXWZPR-XMMPIXPASA-N 1 1 441.535 4.543 40 0 IJABMO Cc1nc2cc([C@H]3CCC[N@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257330718 568724768 /nfs/dbraw/zinc/72/47/68/568724768.db2.gz XPPUJMIOJXXUEF-XMMPIXPASA-N 1 1 437.632 4.618 40 0 IJABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257331349 568724968 /nfs/dbraw/zinc/72/49/68/568724968.db2.gz XSMAYUWHIDACND-OAQYLSRUSA-N 1 1 441.019 4.681 40 0 IJABMO c1ccc(COc2cccc(C[N@H+]3CCOC[C@@H](Cc4cccc5cccnc54)C3)c2)nc1 ZINC000257338031 568727861 /nfs/dbraw/zinc/72/78/61/568727861.db2.gz YVNCIUHWKLMRNQ-QHCPKHFHSA-N 1 1 439.559 4.900 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@](Cc3cc(-c4ccc(C)cc4)no3)(C(=O)N(C)C)C2)cc1 ZINC000057775171 568909200 /nfs/dbraw/zinc/90/92/00/568909200.db2.gz PSNZRVSVMQZYJE-HHHXNRCGSA-N 1 1 447.579 4.572 40 0 IJABMO C[C@@]1(O)CC[N@H+](Cc2ccccc2Cl)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289644 568936641 /nfs/dbraw/zinc/93/66/41/568936641.db2.gz AKJNAGHMDGBXSU-SONWIMMPSA-N 1 1 426.988 4.713 40 0 biogenic,in-vitro IJABMO C[C@@]1(O)CC[N@@H+](Cc2ccccc2Cl)[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289644 568936644 /nfs/dbraw/zinc/93/66/44/568936644.db2.gz AKJNAGHMDGBXSU-SONWIMMPSA-N 1 1 426.988 4.713 40 0 biogenic,in-vitro IJABMO CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)cc1OC ZINC000227306691 569183151 /nfs/dbraw/zinc/18/31/51/569183151.db2.gz LXHUPULAFYZTFM-HFZDXXHNSA-N 1 1 439.600 4.605 40 0 IJABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000253608641 569209197 /nfs/dbraw/zinc/20/91/97/569209197.db2.gz MRAVUJGLEKUTNH-SQGPQFPESA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000253608641 569209199 /nfs/dbraw/zinc/20/91/99/569209199.db2.gz MRAVUJGLEKUTNH-SQGPQFPESA-N 1 1 449.521 4.626 40 0 IJABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019450864 569226566 /nfs/dbraw/zinc/22/65/66/569226566.db2.gz PAXPZFAIOXDMHG-ATIYNZHBSA-N 1 1 444.579 4.647 40 0 IJABMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1 ZINC000019713128 569235483 /nfs/dbraw/zinc/23/54/83/569235483.db2.gz XBCPFRXNPNLXGR-CLJLJLNGSA-N 1 1 446.570 4.784 40 0 IJABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713183 569235499 /nfs/dbraw/zinc/23/54/99/569235499.db2.gz MYALTACRNSNXLN-FTJBHMTQSA-N 1 1 442.607 4.847 40 0 IJABMO COc1ccc(OCCc2sc([C@@]3(O)CCC[N@@H+](CC(C)(C)C)CC3)nc2C)cc1 ZINC000019738743 569235886 /nfs/dbraw/zinc/23/58/86/569235886.db2.gz VIKWRUMFUKQIHK-XMMPIXPASA-N 1 1 432.630 4.801 40 0 IJABMO COc1ccc(NC(=O)c2cnc([C@H]3CC[N@@H+](Cc4ccc(C)c(C)c4)C3)nc2C)cc1 ZINC000019766205 569239351 /nfs/dbraw/zinc/23/93/51/569239351.db2.gz DHYIEXMPHVNWRH-NRFANRHFSA-N 1 1 430.552 4.652 40 0 IJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)CC1 ZINC000020241845 569241342 /nfs/dbraw/zinc/24/13/42/569241342.db2.gz OMZBTNCLNAMDAL-UHFFFAOYSA-N 1 1 429.564 4.887 40 0 IJABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccc3cccnc32)cc1 ZINC000019713203 569327656 /nfs/dbraw/zinc/32/76/56/569327656.db2.gz FKVHTZPPVSARLK-RPBOFIJWSA-N 1 1 429.564 4.789 40 0 IJABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCC[N@H+]2Cc2ccc(OC(C)C)cc2)n1 ZINC000019752102 569328372 /nfs/dbraw/zinc/32/83/72/569328372.db2.gz IGQIOMDCQDSOJY-VWLOTQADSA-N 1 1 444.579 4.839 40 0 IJABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)n1 ZINC000019752102 569328373 /nfs/dbraw/zinc/32/83/73/569328373.db2.gz IGQIOMDCQDSOJY-VWLOTQADSA-N 1 1 444.579 4.839 40 0 IJABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCC[N@H+]2Cc2ccc(OC(C)C)cc2)n1 ZINC000019752100 569328463 /nfs/dbraw/zinc/32/84/63/569328463.db2.gz IGQIOMDCQDSOJY-RUZDIDTESA-N 1 1 444.579 4.839 40 0 IJABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCC[N@@H+]2Cc2ccc(OC(C)C)cc2)n1 ZINC000019752100 569328464 /nfs/dbraw/zinc/32/84/64/569328464.db2.gz IGQIOMDCQDSOJY-RUZDIDTESA-N 1 1 444.579 4.839 40 0 IJABMO CC(=O)Nc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](CCCc3ccccc3)C2)cc1 ZINC000005433839 291387054 /nfs/dbraw/zinc/38/70/54/291387054.db2.gz FXUYCCHNWOGGKZ-LADGPHEKSA-N 1 1 441.575 4.526 40 0 biogenic,in-vitro IJABMO CCOc1ccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1OCC ZINC000044905201 520998083 /nfs/dbraw/zinc/99/80/83/520998083.db2.gz ZOTPOBQQQYHBCU-UHFFFAOYSA-N 1 1 444.575 4.972 40 0 IJABMO CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030939645 556515959 /nfs/dbraw/zinc/51/59/59/556515959.db2.gz DKCLYHLKTCFAGC-IBGZPJMESA-N 1 1 427.976 4.721 40 0 IJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(I)cc3)cc2)C1 ZINC000038834855 556622772 /nfs/dbraw/zinc/62/27/72/556622772.db2.gz TTYLXFMNISELGM-OAHLLOKOSA-N 1 1 434.321 4.775 40 0 IJABMO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000038854379 556625367 /nfs/dbraw/zinc/62/53/67/556625367.db2.gz DKSYZCBUBGGWKO-UHFFFAOYSA-N 1 1 448.394 4.982 40 0 IJABMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044855614 556672006 /nfs/dbraw/zinc/67/20/06/556672006.db2.gz XJPNKAZWDHNSLG-XMSQKQJNSA-N 1 1 442.987 4.979 40 0 IJABMO O=C(N[C@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044933025 556682407 /nfs/dbraw/zinc/68/24/07/556682407.db2.gz IHAQIEATPUVUEV-QFIPXVFZSA-N 1 1 427.386 4.855 40 0 IJABMO COc1ccc([C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000044933233 556682444 /nfs/dbraw/zinc/68/24/44/556682444.db2.gz RSUIAPFWUNMJBC-MRXNPFEDSA-N 1 1 431.374 4.547 40 0 IJABMO O=C(Cc1ccc(F)cc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257223906 556708295 /nfs/dbraw/zinc/70/82/95/556708295.db2.gz DZKJCPJXMYSFBE-QFQXNSOFSA-N 1 1 435.518 4.672 40 0 IJABMO CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2Cc2ccccc2OCc2cccc(F)c2)nc1 ZINC000257244188 556710636 /nfs/dbraw/zinc/71/06/36/556710636.db2.gz IKGRVSADLMSPDV-VWLOTQADSA-N 1 1 433.527 4.773 40 0 IJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC3(CO[C@H](Cc4cccc(F)c4)C3)CC2)c1 ZINC000257274007 556714033 /nfs/dbraw/zinc/71/40/33/556714033.db2.gz NJDZGVBIUUFKQY-RUZDIDTESA-N 1 1 447.554 4.633 40 0 IJABMO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019370891 556748317 /nfs/dbraw/zinc/74/83/17/556748317.db2.gz SSJNHGFHPCFYQM-YIXXDRMTSA-N 1 1 431.555 4.923 40 0 IJABMO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cccc(F)c1 ZINC000019400806 556753608 /nfs/dbraw/zinc/75/36/08/556753608.db2.gz QGPSDQPPSKYWBU-DEOSSOPVSA-N 1 1 439.481 4.882 40 0 IJABMO CCCc1ncc(C[N@H+](Cc2ccc(OC)cc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cn1 ZINC000019525699 556783560 /nfs/dbraw/zinc/78/35/60/556783560.db2.gz 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IJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000072330473 556905807 /nfs/dbraw/zinc/90/58/07/556905807.db2.gz BDXRNJPTNZUEFA-LVXARBLLSA-N 1 1 435.518 4.672 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330482 556905835 /nfs/dbraw/zinc/90/58/35/556905835.db2.gz QXFYHGYGINJKEF-HOFKKMOUSA-N 1 1 443.591 4.711 40 0 IJABMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)c1 ZINC000019764967 556909745 /nfs/dbraw/zinc/90/97/45/556909745.db2.gz GPGUKNSUVUNMQS-XMMPIXPASA-N 1 1 432.543 4.890 40 0 IJABMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)c1 ZINC000019764967 556909748 /nfs/dbraw/zinc/90/97/48/556909748.db2.gz GPGUKNSUVUNMQS-XMMPIXPASA-N 1 1 432.543 4.890 40 0 IJABMO COc1ccc2c(C[N@H+]3CCC[C@@H](c4cc(-c5cnn(C)c5)cc(C)n4)C3)cn(C)c2c1 ZINC000072353750 556928048 /nfs/dbraw/zinc/92/80/48/556928048.db2.gz QJROZOXZIFVQCC-LJQANCHMSA-N 1 1 429.568 4.670 40 0 IJABMO 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40 0 IJABMO O=C1N(CC2CC2)CC[C@]12C[N@H+](C(c1ccccc1)c1ccccc1)C[C@H]2c1cccnc1 ZINC000306136951 568769651 /nfs/dbraw/zinc/76/96/51/568769651.db2.gz QHGPRPYRTHWFAX-LITSAYRRSA-N 1 1 437.587 4.899 40 0 IJABMO Cn1c(C[N@@H+]2CCC[C@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)nc2ccccc21 ZINC000019289940 569226442 /nfs/dbraw/zinc/22/64/42/569226442.db2.gz NODOXBUYCGKNKP-KDYSTLNUSA-N 1 1 445.611 4.618 40 0 IJABMO Cn1c(C[N@H+]2CCC[C@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)nc2ccccc21 ZINC000019289940 569226443 /nfs/dbraw/zinc/22/64/43/569226443.db2.gz NODOXBUYCGKNKP-KDYSTLNUSA-N 1 1 445.611 4.618 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)c1 ZINC000019565034 569227083 /nfs/dbraw/zinc/22/70/83/569227083.db2.gz BVIJHVMBGZKGKJ-SQJMNOBHSA-N 1 1 433.527 4.613 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(-c4ccc(F)cc4)c3)C2)ncc1C(=O)N(C)C ZINC000019763400 569237976 /nfs/dbraw/zinc/23/79/76/569237976.db2.gz RMAGXIVUHGKFLB-QFIPXVFZSA-N 1 1 432.543 4.673 40 0 IJABMO COc1ccc(NC(=O)c2cnc([C@@H]3CC[N@@H+](Cc4cccc(Cl)c4)C3)nc2C)cc1 ZINC000019766208 569239311 /nfs/dbraw/zinc/23/93/11/569239311.db2.gz FVEYFGLNEVQWIE-GOSISDBHSA-N 1 1 436.943 4.689 40 0 IJABMO C=C1[NH+]=C(SCc2ccc(OC)cc2)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000107832572 569251352 /nfs/dbraw/zinc/25/13/52/569251352.db2.gz QNIAPJQIRBNERX-JOCHJYFZSA-N 1 1 440.565 4.865 40 0 IJABMO Cc1ccccc1C[N@H+]1CCC[C@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765484 569329135 /nfs/dbraw/zinc/32/91/35/569329135.db2.gz BANHWKKKIDUKLC-QFIPXVFZSA-N 1 1 432.543 4.542 40 0 IJABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4CC(C)(C)C)n3)cn2)cc1 ZINC000049155239 291391344 /nfs/dbraw/zinc/39/13/44/291391344.db2.gz OHXGAPPZTWGSJZ-IBGZPJMESA-N 1 1 435.528 4.576 40 0 biogenic,in-vitro IJABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@H+](Cc2ccccc2C)C3)cc1 ZINC000096111890 291391739 /nfs/dbraw/zinc/39/17/39/291391739.db2.gz KMBMPLYZOURPJP-ZCYQVOJMSA-N 1 1 428.532 4.572 40 0 biogenic,in-vitro IJABMO COc1ccc(CN2c3ccccc3O[C@H]3C[C@@H](C2=O)[N@@H+](Cc2ccccc2C)C3)cc1 ZINC000096111890 291391740 /nfs/dbraw/zinc/39/17/40/291391740.db2.gz KMBMPLYZOURPJP-ZCYQVOJMSA-N 1 1 428.532 4.572 40 0 biogenic,in-vitro IJABMO CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022513207 521922092 /nfs/dbraw/zinc/92/20/92/521922092.db2.gz ZPADUMKOPAXCEL-QFIPXVFZSA-N 1 1 428.576 4.950 40 0 IJABMO COc1cc(C(=O)OC[C@H]2CCC[N@H+]3C[C@@H](C4CCCCC4)C[C@H]23)cc(OC)c1OC ZINC000001322310 555690024 /nfs/dbraw/zinc/69/00/24/555690024.db2.gz DQQSJVFAXXWRKE-HLAWJBBLSA-N 1 1 431.573 4.550 40 0 IJABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408576697 555926977 /nfs/dbraw/zinc/92/69/77/555926977.db2.gz QMCPUXOVBPDVBH-UHFFFAOYSA-N 1 1 425.381 4.504 40 0 IJABMO C[C@H](Cc1ccccc1)[N@@H+](C)CCCN1c2ccccc2N(C)S(=O)(=O)c2ccccc21 ZINC000004214180 555976647 /nfs/dbraw/zinc/97/66/47/555976647.db2.gz FYVHKPBTSMGGBG-OAQYLSRUSA-N 1 1 449.620 4.916 40 0 in-man IJABMO COc1ccc(OCCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408702086 556105495 /nfs/dbraw/zinc/10/54/95/556105495.db2.gz BRPNHOVPFGLXGP-UHFFFAOYSA-N 1 1 444.575 4.788 40 0 IJABMO COC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000039741615 556435262 /nfs/dbraw/zinc/43/52/62/556435262.db2.gz ZJKOENYYWJTEFK-UHFFFAOYSA-N 1 1 439.314 4.770 40 0 IJABMO C[C@@]1(O)CC[N@@H+](CCCc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289823 556624350 /nfs/dbraw/zinc/62/43/50/556624350.db2.gz OXEZSZCIXIMIHV-SONWIMMPSA-N 1 1 426.626 4.554 40 0 biogenic,in-vitro IJABMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038857267 556626062 /nfs/dbraw/zinc/62/60/62/556626062.db2.gz VFKSGVWILBPPRT-LJQANCHMSA-N 1 1 432.395 4.554 40 0 IJABMO CSc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@@H](O)c3ncccc3C)CC2)cc1 ZINC000019237681 556722901 /nfs/dbraw/zinc/72/29/01/556722901.db2.gz LEWKAQFMPBJHKD-RUZDIDTESA-N 1 1 437.584 4.655 40 0 IJABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019288040 556728511 /nfs/dbraw/zinc/72/85/11/556728511.db2.gz DAJKRBQFJCVLQM-HNNXBMFYSA-N 1 1 449.502 4.525 40 0 IJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1 ZINC000019370373 556747840 /nfs/dbraw/zinc/74/78/40/556747840.db2.gz DFWWUGIMIGGTDE-HFZDXXHNSA-N 1 1 435.518 4.672 40 0 IJABMO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019370912 556748410 /nfs/dbraw/zinc/74/84/10/556748410.db2.gz WIKNMOMOZXXNER-WNCULLNHSA-N 1 1 431.555 4.923 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1cccs1 ZINC000019400575 556753287 /nfs/dbraw/zinc/75/32/87/556753287.db2.gz BDSNDCCWSDDRFK-VGOFRKELSA-N 1 1 427.520 4.805 40 0 IJABMO O=C(N[C@H](c1ccccn1)C1CC[NH+](Cc2cccc(F)c2F)CC1)c1cccc(F)c1 ZINC000019400873 556753441 /nfs/dbraw/zinc/75/34/41/556753441.db2.gz IBVKGKUMNRPGMI-DEOSSOPVSA-N 1 1 439.481 4.882 40 0 IJABMO CC(C)Oc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2Cc2ccccc2)c1 ZINC000019450806 556761599 /nfs/dbraw/zinc/76/15/99/556761599.db2.gz HHFQIPUQEODAPK-GYKVFZPVSA-N 1 1 445.607 4.838 40 0 IJABMO COc1ccc([C@H]2[C@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCn2cc[nH+]c2C(C)C)cc1OC ZINC000019454489 556764907 /nfs/dbraw/zinc/76/49/07/556764907.db2.gz AUVGUNWYPCEHAH-WJNSRDFLSA-N 1 1 425.573 4.502 40 0 IJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(C)c1 ZINC000001325922 556771684 /nfs/dbraw/zinc/77/16/84/556771684.db2.gz NRXHZPGMTFOIGB-HSZRJFAPSA-N 1 1 448.636 4.828 40 0 IJABMO CCCC(=O)N1c2ccc([C@H](O)C[N@@H+]3CCc4[nH]c5c(cccc5C)c4C3)cc2C[C@H]1C ZINC000019501707 556773290 /nfs/dbraw/zinc/77/32/90/556773290.db2.gz DNRVCVYCFJDXOR-IQGLISFBSA-N 1 1 431.580 4.646 40 0 IJABMO CCCC(=O)N1c2ccc([C@H](O)C[N@H+]3CCc4[nH]c5c(cccc5C)c4C3)cc2C[C@H]1C ZINC000019501707 556773292 /nfs/dbraw/zinc/77/32/92/556773292.db2.gz DNRVCVYCFJDXOR-IQGLISFBSA-N 1 1 431.580 4.646 40 0 IJABMO CCCn1ncc(C[N@H+]2CCC[C@@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)c1C ZINC000019525952 556783793 /nfs/dbraw/zinc/78/37/93/556783793.db2.gz UGUDVGXUVSQPLK-LJQANCHMSA-N 1 1 446.517 4.908 40 0 IJABMO CCCn1ncc(C[N@H+]2CCC[C@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)c1C ZINC000019525953 556783858 /nfs/dbraw/zinc/78/38/58/556783858.db2.gz UGUDVGXUVSQPLK-IBGZPJMESA-N 1 1 446.517 4.908 40 0 IJABMO C[NH+](C)[C@H](C(=O)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1)c1ccc(F)cc1 ZINC000019581576 556819704 /nfs/dbraw/zinc/81/97/04/556819704.db2.gz RKQDOCOIOSHCNC-BTYIYWSLSA-N 1 1 448.464 4.730 40 0 IJABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3ccc4ncccc4c3)c2)cn1 ZINC000019691056 556846945 /nfs/dbraw/zinc/84/69/45/556846945.db2.gz NILYFKHOYWLYSV-SANMLTNESA-N 1 1 437.547 4.697 40 0 IJABMO Cc1onc(C(=O)N2CCC(c3cc(Cc4ccc(C)cc4)cc(C)n3)CC2)c1C[NH+](C)C ZINC000019691717 556847391 /nfs/dbraw/zinc/84/73/91/556847391.db2.gz XZJNLBRHDDWGOT-UHFFFAOYSA-N 1 1 446.595 4.667 40 0 IJABMO CN(CCCc1ccccc1)C(=O)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019752786 556896436 /nfs/dbraw/zinc/89/64/36/556896436.db2.gz MSKNMYMLRIUXOL-XMMPIXPASA-N 1 1 428.580 4.561 40 0 IJABMO CC(C)NC(=O)c1cc([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)nc2ccccc21 ZINC000019761891 556905637 /nfs/dbraw/zinc/90/56/37/556905637.db2.gz RCVZYIZEXQPSFU-FQEVSTJZSA-N 1 1 439.563 4.753 40 0 IJABMO C=C1[NH+]=C(SCc2ccc(F)cc2)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408988759 556909280 /nfs/dbraw/zinc/90/92/80/556909280.db2.gz JFRWOKGLLVHBOP-NRFANRHFSA-N 1 1 444.528 4.614 40 0 IJABMO C=C1[NH+]=C(SCc2ccc(F)cc2)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408988763 556909255 /nfs/dbraw/zinc/90/92/55/556909255.db2.gz JFRWOKGLLVHBOP-OAQYLSRUSA-N 1 1 444.528 4.614 40 0 IJABMO COc1cccc(-c2ccc(C[N@@H+]3CCCC[C@H]3c3ncc(C(=O)N(C)C)c(C)n3)cc2)c1 ZINC000019765220 556909698 /nfs/dbraw/zinc/90/96/98/556909698.db2.gz VFMZMJSWQQXFBK-VWLOTQADSA-N 1 1 444.579 4.890 40 0 IJABMO COc1cccc(-c2ccc(C[N@H+]3CCCC[C@H]3c3ncc(C(=O)N(C)C)c(C)n3)cc2)c1 ZINC000019765220 556909702 /nfs/dbraw/zinc/90/97/02/556909702.db2.gz VFMZMJSWQQXFBK-VWLOTQADSA-N 1 1 444.579 4.890 40 0 IJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc(Nc3ncccc3C)cn1)OCCO2 ZINC000072353196 556925851 /nfs/dbraw/zinc/92/58/51/556925851.db2.gz JFGKIXDKESOQJL-NRFANRHFSA-N 1 1 432.524 4.646 40 0 IJABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc(Nc3ncccc3C)cn1)OCCO2 ZINC000072353196 556925855 /nfs/dbraw/zinc/92/58/55/556925855.db2.gz JFGKIXDKESOQJL-NRFANRHFSA-N 1 1 432.524 4.646 40 0 IJABMO Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072353965 556928685 /nfs/dbraw/zinc/92/86/85/556928685.db2.gz UVDFPTCINADTNA-QFIPXVFZSA-N 1 1 448.998 4.525 40 0 IJABMO Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072353965 556928687 /nfs/dbraw/zinc/92/86/87/556928687.db2.gz UVDFPTCINADTNA-QFIPXVFZSA-N 1 1 448.998 4.525 40 0 IJABMO COc1cccc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)oc21 ZINC000019887880 556938723 /nfs/dbraw/zinc/93/87/23/556938723.db2.gz RQQBZNVKKMJILL-UHFFFAOYSA-N 1 1 426.516 4.989 40 0 IJABMO COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H]1c1cc(Nc3ccccn3)cc(C)[nH+]1)CO2 ZINC000072372598 556943341 /nfs/dbraw/zinc/94/33/41/556943341.db2.gz GYSSVTAVEWYBLO-QHCPKHFHSA-N 1 1 442.519 4.677 40 0 IJABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cccc(Nc4nc(C)cc(C)n4)n3)C2)cc1CO ZINC000072376112 556954290 /nfs/dbraw/zinc/95/42/90/556954290.db2.gz GPDZNQAHGLHQOW-OAQYLSRUSA-N 1 1 447.583 4.503 40 0 IJABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1ccccn1 ZINC000072380084 556957679 /nfs/dbraw/zinc/95/76/79/556957679.db2.gz ZEVNJLKQRCVQTP-HXUWFJFHSA-N 1 1 437.609 4.660 40 0 IJABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398671 556970822 /nfs/dbraw/zinc/97/08/22/556970822.db2.gz PAXPZFAIOXDMHG-GJZUVCINSA-N 1 1 444.579 4.647 40 0 IJABMO COc1cccc([C@@H]2c3cc4c(cc3O[C@@H]([NH+]3CCCC3)[C@@H]2c2ccccc2)OCO4)c1O ZINC000073389467 556976938 /nfs/dbraw/zinc/97/69/38/556976938.db2.gz SXAHPUYYJNJKLC-RGSZASNESA-N 1 1 445.515 4.860 40 0 IJABMO O=C(C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCN(c2ccccc2)CC1 ZINC000113952298 557381094 /nfs/dbraw/zinc/38/10/94/557381094.db2.gz NUXCWZYJZGAXCD-UHFFFAOYSA-N 1 1 432.395 4.554 40 0 IJABMO O=C(C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)N1CCN(c2ccccc2)CC1 ZINC000113952581 557381106 /nfs/dbraw/zinc/38/11/06/557381106.db2.gz RVHTVDDQNJWCMT-UHFFFAOYSA-N 1 1 432.395 4.554 40 0 IJABMO CC[NH+]1CCN(C(=O)c2ccc(OC)c(COc3ccc(-c4ccccc4)cc3)c2)CC1 ZINC000224222905 557577248 /nfs/dbraw/zinc/57/72/48/557577248.db2.gz MVSFTZDGSNUWSW-UHFFFAOYSA-N 1 1 430.548 4.719 40 0 IJABMO CC(C)Sc1nnc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)s1 ZINC000224786687 557651218 /nfs/dbraw/zinc/65/12/18/557651218.db2.gz JHGBILIBBRJMPR-UHFFFAOYSA-N 1 1 428.986 4.682 40 0 IJABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccccc2F)CCCCC1 ZINC000225545510 557739690 /nfs/dbraw/zinc/73/96/90/557739690.db2.gz RPSPOCIHQKAZRM-UHFFFAOYSA-N 1 1 440.559 4.767 40 0 IJABMO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225571923 557744632 /nfs/dbraw/zinc/74/46/32/557744632.db2.gz QCUAVKGPAZFYFP-MRXNPFEDSA-N 1 1 430.936 4.848 40 0 IJABMO O=C([C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1)N1CCc2cc(Br)ccc21 ZINC000225903874 557790100 /nfs/dbraw/zinc/79/01/00/557790100.db2.gz NLQVFHNDNRZYJA-KRWDZBQOSA-N 1 1 433.777 4.904 40 0 IJABMO COc1cccc(OC)c1CNC(=O)[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909701 557791112 /nfs/dbraw/zinc/79/11/12/557791112.db2.gz JVKDMEDEHACUAK-OAHLLOKOSA-N 1 1 437.367 4.539 40 0 IJABMO COc1cccc(OC)c1CNC(=O)[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909701 557791114 /nfs/dbraw/zinc/79/11/14/557791114.db2.gz JVKDMEDEHACUAK-OAHLLOKOSA-N 1 1 437.367 4.539 40 0 IJABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@H]4C)cc3)CCOCC2)cc1 ZINC000260814505 557857224 /nfs/dbraw/zinc/85/72/24/557857224.db2.gz JUPXBDALNKSZCK-JOCHJYFZSA-N 1 1 436.596 4.935 40 0 IJABMO Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257228071 568678104 /nfs/dbraw/zinc/67/81/04/568678104.db2.gz FSDVUTNRMOXAMO-SFHVURJKSA-N 1 1 433.531 4.874 40 0 IJABMO C[N@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1)Cc1ccc(F)cc1 ZINC000257229708 568678685 /nfs/dbraw/zinc/67/86/85/568678685.db2.gz FZEZZPSVOVTIBD-QFIPXVFZSA-N 1 1 441.934 4.853 40 0 IJABMO C[N@@H+](CC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1)Cc1ccc(F)cc1 ZINC000257229708 568678688 /nfs/dbraw/zinc/67/86/88/568678688.db2.gz FZEZZPSVOVTIBD-QFIPXVFZSA-N 1 1 441.934 4.853 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)on3)C2)c1 ZINC000257237748 568682798 /nfs/dbraw/zinc/68/27/98/568682798.db2.gz HHZCIYPUPFOWOL-CSCIYHFESA-N 1 1 449.595 4.761 40 0 IJABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCO[C@@H](c2cc(Nc3ccccn3)cc(C)[nH+]2)C1 ZINC000257249092 568688162 /nfs/dbraw/zinc/68/81/62/568688162.db2.gz JGUPVHJCOIWYPV-JOCHJYFZSA-N 1 1 445.498 4.671 40 0 IJABMO Cc1nc([C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257260008 568692900 /nfs/dbraw/zinc/69/29/00/568692900.db2.gz LAZDUVPCSLEOGC-IBGZPJMESA-N 1 1 436.506 4.542 40 0 IJABMO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@H+](Cc3cccc(Cl)c3Cl)C2)nc1C ZINC000257263625 568694820 /nfs/dbraw/zinc/69/48/20/568694820.db2.gz LQUAVYNIKLFGOV-SFHVURJKSA-N 1 1 449.426 4.801 40 0 IJABMO CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3Cl)C2)nc1C ZINC000257263625 568694824 /nfs/dbraw/zinc/69/48/24/568694824.db2.gz LQUAVYNIKLFGOV-SFHVURJKSA-N 1 1 449.426 4.801 40 0 IJABMO Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@@H]3Cc4ccccc4C[N@H+]3C)CC2)nc1 ZINC000257325496 568722552 /nfs/dbraw/zinc/72/25/52/568722552.db2.gz WTDPSRKOFUYAAZ-NDEPHWFRSA-N 1 1 439.603 4.744 40 0 IJABMO Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@@H]3Cc4ccccc4C[N@@H+]3C)CC2)nc1 ZINC000257325496 568722555 /nfs/dbraw/zinc/72/25/55/568722555.db2.gz WTDPSRKOFUYAAZ-NDEPHWFRSA-N 1 1 439.603 4.744 40 0 IJABMO Cc1c(F)cccc1NC(=O)[C@@H](C)[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257338395 568727990 /nfs/dbraw/zinc/72/79/90/568727990.db2.gz YXFARAQRNAOGLL-GOSISDBHSA-N 1 1 433.531 4.874 40 0 IJABMO O=C1N(Cc2ccccc2)CCC[C@@]12C[N@@H+](CCc1ccccc1)C[C@H]2c1nccs1 ZINC000306137958 568770347 /nfs/dbraw/zinc/77/03/47/568770347.db2.gz RLBAMKILNFNPMV-OZXSUGGESA-N 1 1 431.605 4.594 40 0 IJABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019014395 569226102 /nfs/dbraw/zinc/22/61/02/569226102.db2.gz RVMWWVHTKRNJOS-XIPGCIFSSA-N 1 1 426.564 4.763 40 0 IJABMO Cn1c(C[N@@H+]2CCC[C@@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)nc2ccccc21 ZINC000019289939 569226466 /nfs/dbraw/zinc/22/64/66/569226466.db2.gz NODOXBUYCGKNKP-JIPXPUAJSA-N 1 1 445.611 4.618 40 0 IJABMO Cn1c(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)nc2ccccc21 ZINC000019289939 569226467 /nfs/dbraw/zinc/22/64/67/569226467.db2.gz NODOXBUYCGKNKP-JIPXPUAJSA-N 1 1 445.611 4.618 40 0 IJABMO CCn1ccnc1C[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 ZINC000019713433 569235604 /nfs/dbraw/zinc/23/56/04/569235604.db2.gz LDUUCJNFCRATOM-NFBKMPQASA-N 1 1 448.533 4.858 40 0 IJABMO COc1cc(C)ccc1C[N@H+]1CC[C@](Cc2cc(C3CCCCC3)no2)(C(=O)N(C)C)C1 ZINC000019739230 569236557 /nfs/dbraw/zinc/23/65/57/569236557.db2.gz LFQMXPDQTYLCFV-AREMUKBSSA-N 1 1 439.600 4.562 40 0 IJABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019757850 569237263 /nfs/dbraw/zinc/23/72/63/569237263.db2.gz QOFRMZSZEVBUNP-HXUWFJFHSA-N 1 1 441.510 4.714 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3-c3ccccc3F)C2)ncc1C(=O)N(C)C ZINC000019763070 569237890 /nfs/dbraw/zinc/23/78/90/569237890.db2.gz IZIBCGCJWZEDLK-FQEVSTJZSA-N 1 1 432.543 4.673 40 0 IJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)CC1 ZINC000020241849 569241362 /nfs/dbraw/zinc/24/13/62/569241362.db2.gz CUNJVSWGQYDLLE-UHFFFAOYSA-N 1 1 429.564 4.887 40 0 IJABMO Cc1nc([C@@H]2CCC[N@H+]2CCc2ccccc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019696060 569326698 /nfs/dbraw/zinc/32/66/98/569326698.db2.gz ZPQZZYQDWFHDDM-VWLOTQADSA-N 1 1 440.591 4.687 40 0 IJABMO Cc1c2ccccc2oc1-c1nnc2sc(CC[N@H+]3CC[C@@H](c4ccccc4)C3)nn21 ZINC000096194462 569386314 /nfs/dbraw/zinc/38/63/14/569386314.db2.gz VVMUSUFGNRHNTB-GOSISDBHSA-N 1 1 429.549 4.939 40 0 IJABMO O=C1[C@@H]2C[C@@H](C[N@H+]2C2CCC2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111954 291393649 /nfs/dbraw/zinc/39/36/49/291393649.db2.gz WCMVKPSKRUORCG-ICSRJNTNSA-N 1 1 432.442 4.506 40 0 biogenic,in-vitro IJABMO CC[C@@H](OC[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000034930429 523036417 /nfs/dbraw/zinc/03/64/17/523036417.db2.gz WJDHCLOFZSSEQT-WUFINQPMSA-N 1 1 444.619 4.922 40 0 IJABMO COc1ccccc1CN(CCC[NH+]1CCOCC1)C(=O)c1ccccc1-c1ccccc1 ZINC000035311983 524439311 /nfs/dbraw/zinc/43/93/11/524439311.db2.gz CPKOUSMDGNJJLL-UHFFFAOYSA-N 1 1 444.575 4.727 40 0 IJABMO CCOCc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000029630166 556479064 /nfs/dbraw/zinc/47/90/64/556479064.db2.gz MRNKNKBDKSGUBG-UHFFFAOYSA-N 1 1 444.575 4.779 40 0 IJABMO O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030941525 556516173 /nfs/dbraw/zinc/51/61/73/556516173.db2.gz AKUQGGYHKCKNHJ-FQEVSTJZSA-N 1 1 439.987 4.817 40 0 IJABMO COC(=O)c1c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)sc2c1CCCC2 ZINC000038857903 556626033 /nfs/dbraw/zinc/62/60/33/556626033.db2.gz ZHHZBSARJPISAO-INIZCTEOSA-N 1 1 447.000 4.918 40 0 IJABMO CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000044844428 556669115 /nfs/dbraw/zinc/66/91/15/556669115.db2.gz UBHLHCDPXXMCSL-AREMUKBSSA-N 1 1 444.575 4.786 40 0 IJABMO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000044907060 556680103 /nfs/dbraw/zinc/68/01/03/556680103.db2.gz JISXJJHHFSSBEH-UHFFFAOYSA-N 1 1 435.395 4.963 40 0 IJABMO Cc1noc(C)c1COc1ccc(C[N@@H+](C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000257331904 556705936 /nfs/dbraw/zinc/70/59/36/556705936.db2.gz XUTSSLLLSHVEBF-QHCPKHFHSA-N 1 1 447.579 4.935 40 0 IJABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCC[N@H+]1Cc1cnc(C(C)C)nc1 ZINC000019219883 556714443 /nfs/dbraw/zinc/71/44/43/556714443.db2.gz CMQKVZTUJDKQPQ-GOSISDBHSA-N 1 1 444.501 4.907 40 0 IJABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCC[N@@H+]1Cc1cnc(C(C)C)nc1 ZINC000019219883 556714447 /nfs/dbraw/zinc/71/44/47/556714447.db2.gz CMQKVZTUJDKQPQ-GOSISDBHSA-N 1 1 444.501 4.907 40 0 IJABMO C=Cn1ncc(C[N@H+]2CCC[C@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)c1C ZINC000019219908 556714534 /nfs/dbraw/zinc/71/45/34/556714534.db2.gz WDOYLMPLNPJVET-SFHVURJKSA-N 1 1 430.474 4.599 40 0 IJABMO Cc1cccc(C[N@@H+]2CC[C@@](Cc3ccccc3-c3ccncc3)(C(=O)NCC(C)C)C2)n1 ZINC000019236145 556720889 /nfs/dbraw/zinc/72/08/89/556720889.db2.gz MERHISGXZXIWLW-NDEPHWFRSA-N 1 1 442.607 4.659 40 0 IJABMO COc1ccccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000019236843 556721565 /nfs/dbraw/zinc/72/15/65/556721565.db2.gz GVFQLIZOLGYTFV-ATIYNZHBSA-N 1 1 429.564 4.782 40 0 IJABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(F)c3F)CC[C@@H]21 ZINC000019292752 556731946 /nfs/dbraw/zinc/73/19/46/556731946.db2.gz JTQGAMDCNUHKML-ONTIZHBOSA-N 1 1 439.531 4.552 40 0 IJABMO O=C(NCc1cccc(F)c1)c1cc([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019376085 556751777 /nfs/dbraw/zinc/75/17/77/556751777.db2.gz RPIWKABZGXLTAV-FQEVSTJZSA-N 1 1 444.510 4.672 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1cccs1 ZINC000019400722 556753457 /nfs/dbraw/zinc/75/34/57/556753457.db2.gz AHCNFQLWXMZFPT-VGOFRKELSA-N 1 1 427.520 4.805 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1cccs1 ZINC000019400722 556753458 /nfs/dbraw/zinc/75/34/58/556753458.db2.gz AHCNFQLWXMZFPT-VGOFRKELSA-N 1 1 427.520 4.805 40 0 IJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000019500912 556772550 /nfs/dbraw/zinc/77/25/50/556772550.db2.gz PWZBKINEXBLNDF-HLIPFELVSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000019500912 556772554 /nfs/dbraw/zinc/77/25/54/556772554.db2.gz PWZBKINEXBLNDF-HLIPFELVSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000019500914 556772632 /nfs/dbraw/zinc/77/26/32/556772632.db2.gz PWZBKINEXBLNDF-MBOZVWFJSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000019500914 556772635 /nfs/dbraw/zinc/77/26/35/556772635.db2.gz PWZBKINEXBLNDF-MBOZVWFJSA-N 1 1 449.521 4.626 40 0 IJABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(CO)c2)C1 ZINC000019522013 556779033 /nfs/dbraw/zinc/77/90/33/556779033.db2.gz JUSLJYKMPXBNHA-OAHLLOKOSA-N 1 1 449.473 4.685 40 0 IJABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)cn1 ZINC000019523395 556780756 /nfs/dbraw/zinc/78/07/56/556780756.db2.gz HEMIZFFZGJUCJT-MRXNPFEDSA-N 1 1 432.494 4.604 40 0 IJABMO CCN(CC)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019526194 556784322 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449.378 4.950 40 0 IJABMO Cc1cc(C)nc(Nc2ccccc2C(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)n1 ZINC000225916672 557792102 /nfs/dbraw/zinc/79/21/02/557792102.db2.gz PWLFPDMAGUCRKJ-UHFFFAOYSA-N 1 1 446.942 4.881 40 0 IJABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257209763 568669797 /nfs/dbraw/zinc/66/97/97/568669797.db2.gz BRTYZKLUOPIPPV-HXUWFJFHSA-N 1 1 441.019 4.728 40 0 IJABMO Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257228070 568678189 /nfs/dbraw/zinc/67/81/89/568678189.db2.gz FSDVUTNRMOXAMO-GOSISDBHSA-N 1 1 433.531 4.874 40 0 IJABMO Cc1cnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)c2)s1 ZINC000257287495 568705649 /nfs/dbraw/zinc/70/56/49/568705649.db2.gz PQFPDZZDMMOFDA-MRXNPFEDSA-N 1 1 432.553 4.713 40 0 IJABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)c4cccc5cccnc54)CCO3)c2)n1 ZINC000257291399 568707224 /nfs/dbraw/zinc/70/72/24/568707224.db2.gz QGTUWSJSUBLTJX-OAQYLSRUSA-N 1 1 445.548 4.660 40 0 IJABMO COCc1cc(C[N@H+]2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)ccc1OC(C)C ZINC000257297041 568710002 /nfs/dbraw/zinc/71/00/02/568710002.db2.gz RFNLIEFAJHMDDH-OAQYLSRUSA-N 1 1 447.583 4.928 40 0 IJABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](Cc4ccccc4OC4CCCC4)C[C@@H]32)cc1 ZINC000257302099 568712117 /nfs/dbraw/zinc/71/21/17/568712117.db2.gz SBNOXCMTZDUGMA-ZONZVBGPSA-N 1 1 448.607 4.853 40 0 IJABMO CC1(C)Cc2cc(C[N@H+]3CCC[C@@H](c4n[nH]cc4C(=O)N4CCCCCC4)C3)ccc2O1 ZINC000257325659 568722560 /nfs/dbraw/zinc/72/25/60/568722560.db2.gz WTVJOWHRJUKAHP-HXUWFJFHSA-N 1 1 436.600 4.519 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@@](Cc3cc(-c4ccc(C)cc4)no3)(C(=O)N(C)C)C2)cc1 ZINC000057775174 568909070 /nfs/dbraw/zinc/90/90/70/568909070.db2.gz PSNZRVSVMQZYJE-MHZLTWQESA-N 1 1 447.579 4.572 40 0 IJABMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019083498 569226177 /nfs/dbraw/zinc/22/61/77/569226177.db2.gz VYSXRRGDFPSZTF-WMZHIEFXSA-N 1 1 449.574 4.625 40 0 IJABMO COc1ccc2c(C[N@H+]3CC[C@H](c4cc(COc5ccccc5F)[nH]n4)C3)cn(C)c2c1 ZINC000019704360 569233318 /nfs/dbraw/zinc/23/33/18/569233318.db2.gz VGYLELAMLHGFAZ-KRWDZBQOSA-N 1 1 434.515 4.618 40 0 IJABMO COc1ccc2c(C[N@@H+]3CC[C@H](c4cc(COc5ccccc5F)n[nH]4)C3)cn(C)c2c1 ZINC000019704360 569233319 /nfs/dbraw/zinc/23/33/19/569233319.db2.gz VGYLELAMLHGFAZ-KRWDZBQOSA-N 1 1 434.515 4.618 40 0 IJABMO COc1ccc2c(C[N@H+]3CC[C@H](c4cc(COc5ccccc5F)n[nH]4)C3)cn(C)c2c1 ZINC000019704360 569233320 /nfs/dbraw/zinc/23/33/20/569233320.db2.gz VGYLELAMLHGFAZ-KRWDZBQOSA-N 1 1 434.515 4.618 40 0 IJABMO COc1cc(C[N@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)ccc1OC(C)C ZINC000019704653 569233552 /nfs/dbraw/zinc/23/35/52/569233552.db2.gz YCFGAOLUNMUEAW-LJQANCHMSA-N 1 1 439.531 4.913 40 0 IJABMO COc1cc(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)ccc1OC(C)C ZINC000019704653 569233553 /nfs/dbraw/zinc/23/35/53/569233553.db2.gz YCFGAOLUNMUEAW-LJQANCHMSA-N 1 1 439.531 4.913 40 0 IJABMO COc1cc(C[N@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)ccc1OC(C)C ZINC000019704653 569233554 /nfs/dbraw/zinc/23/35/54/569233554.db2.gz YCFGAOLUNMUEAW-LJQANCHMSA-N 1 1 439.531 4.913 40 0 IJABMO Cc1nc([C@@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019705416 569234250 /nfs/dbraw/zinc/23/42/50/569234250.db2.gz ICHLFLHTRCYYBO-HSZRJFAPSA-N 1 1 436.568 4.967 40 0 IJABMO Cc1ncc(C[N@H+]2CCC[C@@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)s1 ZINC000019705376 569234287 /nfs/dbraw/zinc/23/42/87/569234287.db2.gz HWHHIPVTUQZVTN-QFIPXVFZSA-N 1 1 429.611 4.669 40 0 IJABMO COc1ccc(CN2C(=O)CCCC[C@H]3[N@@H+](Cc4cnc(C(C)C)nc4)CC[C@]32C)cc1 ZINC000019713397 569235662 /nfs/dbraw/zinc/23/56/62/569235662.db2.gz DTOMYRPXZGMQCV-ZEQKJWHPSA-N 1 1 436.600 4.544 40 0 IJABMO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3)[N@H+]2Cc2cccc(Oc3ncccn3)c2)N1 ZINC000019713895 569235767 /nfs/dbraw/zinc/23/57/67/569235767.db2.gz ITEYSPMVCGWSQA-PZUNEJSGSA-N 1 1 442.563 4.513 40 0 IJABMO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(OC)c1 ZINC000044856776 569249333 /nfs/dbraw/zinc/24/93/33/569249333.db2.gz UTHOPGUKPIFXRX-PZJWPPBQSA-N 1 1 430.976 4.837 40 0 IJABMO CC(C)NC(=O)OC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(C2CCCC2)nc(-c2ccncc2)n1 ZINC000008622919 569469505 /nfs/dbraw/zinc/46/95/05/569469505.db2.gz BEJMKDIAWWWFJB-BDTNDASRSA-N 1 1 449.599 4.509 40 0 biogenic,in-vitro IJABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4C4CCCCC4)n3)cn2)cc1 ZINC000049155198 291391329 /nfs/dbraw/zinc/39/13/29/291391329.db2.gz MCPBWXSIKKGRNT-NRFANRHFSA-N 1 1 447.539 4.862 40 0 biogenic,in-vitro IJABMO COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@H](C3)C[N@@H+](Cc3cc4ccccc4o3)C2)cc1 ZINC000020503363 523130098 /nfs/dbraw/zinc/13/00/98/523130098.db2.gz CTYOMZFNEROQLO-GHTZIAJQSA-N 1 1 426.516 4.889 40 0 biogenic,in-vitro IJABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000035425227 523962802 /nfs/dbraw/zinc/96/28/02/523962802.db2.gz GXPWKAZDVPDZNN-SFHVURJKSA-N 1 1 447.461 4.546 40 0 biogenic,in-vitro IJABMO COCCNc1ccc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C(F)(F)F)cc3)n2)cn1 ZINC000035425227 523962808 /nfs/dbraw/zinc/96/28/08/523962808.db2.gz GXPWKAZDVPDZNN-SFHVURJKSA-N 1 1 447.461 4.546 40 0 biogenic,in-vitro IJABMO O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Br)cc1 ZINC000012876268 526729361 /nfs/dbraw/zinc/72/93/61/526729361.db2.gz SPUJRJXNTMCKDX-UHFFFAOYSA-N 1 1 430.371 4.877 40 0 IJABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCc1c(Cl)cccc1Cl ZINC000408577590 555928612 /nfs/dbraw/zinc/92/86/12/555928612.db2.gz TWSDHLNMSHBYAL-UHFFFAOYSA-N 1 1 425.381 4.504 40 0 IJABMO CC[C@H](Oc1ccccc1F)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408694405 556096458 /nfs/dbraw/zinc/09/64/58/556096458.db2.gz FVHLXRLVYKKEAV-DEOSSOPVSA-N 1 1 432.539 4.917 40 0 IJABMO C[C@@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000030943822 556516897 /nfs/dbraw/zinc/51/68/97/556516897.db2.gz LHOSOUGOSXVPNS-SFHVURJKSA-N 1 1 429.402 4.799 40 0 IJABMO C[C@@]1(O)CC[N@@H+](CCCc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288924 556625136 /nfs/dbraw/zinc/62/51/36/556625136.db2.gz DHCQVJJRVUWMTC-UNCTUWKVSA-N 1 1 446.566 4.755 40 0 biogenic,in-vitro IJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 ZINC000038855993 556625777 /nfs/dbraw/zinc/62/57/77/556625777.db2.gz VONFDMNNDAAPEN-IBGZPJMESA-N 1 1 438.531 4.983 40 0 IJABMO Cc1ccccc1OC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044852583 556671111 /nfs/dbraw/zinc/67/11/11/556671111.db2.gz NVCCDUDMAFTNRW-GOSISDBHSA-N 1 1 445.401 4.553 40 0 IJABMO COc1cccc([C@@H]2CN(C(=O)C(C)(C)C)[C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@@H]23)c1 ZINC000019081674 556696351 /nfs/dbraw/zinc/69/63/51/556696351.db2.gz IHHAGDOYSQZEIF-HFMPRLQTSA-N 1 1 442.550 4.836 40 0 IJABMO OCCCn1cc(C[N@@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)c2ccccc21 ZINC000257205104 556701647 /nfs/dbraw/zinc/70/16/47/556701647.db2.gz AXRMZYIUMLRAEM-HHHXNRCGSA-N 1 1 445.538 4.798 40 0 IJABMO OCCCn1cc(C[N@H+]2CCO[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)c2ccccc21 ZINC000257205104 556701650 /nfs/dbraw/zinc/70/16/50/556701650.db2.gz AXRMZYIUMLRAEM-HHHXNRCGSA-N 1 1 445.538 4.798 40 0 IJABMO c1cnc(Oc2cccc(C[N@@H+]3CCOC[C@H](Cc4cccc5ccncc54)C3)c2)nc1 ZINC000257334273 556706307 /nfs/dbraw/zinc/70/63/07/556706307.db2.gz YFFIWUASHCLBIW-OAQYLSRUSA-N 1 1 426.520 4.508 40 0 IJABMO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([N@@H+](Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)C1 ZINC000257220654 556707758 /nfs/dbraw/zinc/70/77/58/556707758.db2.gz DLPGHKNHUARACL-DNQXCXABSA-N 1 1 438.612 4.967 40 0 IJABMO CC(=O)NCc1ccc([C@H]2CCC[N@H+]2Cc2ccccc2OCc2cccc(F)c2)nc1 ZINC000257244187 556710670 /nfs/dbraw/zinc/71/06/70/556710670.db2.gz IKGRVSADLMSPDV-RUZDIDTESA-N 1 1 433.527 4.773 40 0 IJABMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1OC ZINC000000843557 556720861 /nfs/dbraw/zinc/72/08/61/556720861.db2.gz ODDXTSDEFAPTLN-LOSJGSFVSA-N 1 1 438.487 4.508 40 0 IJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000019370359 556747718 /nfs/dbraw/zinc/74/77/18/556747718.db2.gz BDXRNJPTNZUEFA-HFZDXXHNSA-N 1 1 435.518 4.672 40 0 IJABMO O=C(c1ccsc1)N1CCC2(CC1)C[N@@H+](Cc1ccccc1)C[C@@H](c1ccccc1)O2 ZINC000019371696 556748372 /nfs/dbraw/zinc/74/83/72/556748372.db2.gz SLCXXECNNROSOS-DEOSSOPVSA-N 1 1 432.589 4.997 40 0 IJABMO CNc1ncc(C[N@H+]2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019452113 556762972 /nfs/dbraw/zinc/76/29/72/556762972.db2.gz MTXJGVROQDNRBK-CQSZACIVSA-N 1 1 434.466 4.576 40 0 IJABMO COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2NC(=O)CCn2cc[nH+]c2C(C)C)cc1OC ZINC000019454487 556764896 /nfs/dbraw/zinc/76/48/96/556764896.db2.gz AUVGUNWYPCEHAH-GABIRTJKSA-N 1 1 425.573 4.502 40 0 IJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(C)cc1 ZINC000001325907 556771676 /nfs/dbraw/zinc/77/16/76/556771676.db2.gz GRYRZESPVCYVGI-QHCPKHFHSA-N 1 1 448.636 4.828 40 0 IJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375022 556792952 /nfs/dbraw/zinc/79/29/52/556792952.db2.gz FTPGQUYZXSITJO-JOCHJYFZSA-N 1 1 436.604 4.782 40 0 IJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375022 556792956 /nfs/dbraw/zinc/79/29/56/556792956.db2.gz FTPGQUYZXSITJO-JOCHJYFZSA-N 1 1 436.604 4.782 40 0 IJABMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002310300 556799927 /nfs/dbraw/zinc/79/99/27/556799927.db2.gz ZWTCZQVDMNQUBP-NWLBTCKQSA-N 1 1 441.572 4.581 40 0 IJABMO COc1cccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)no2)c1 ZINC000019565625 556806201 /nfs/dbraw/zinc/80/62/01/556806201.db2.gz BFISQIDYWVUXOM-IBGZPJMESA-N 1 1 439.943 4.646 40 0 IJABMO COCC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000019592991 556829202 /nfs/dbraw/zinc/82/92/02/556829202.db2.gz ARSCLKAEHBOKHS-KCWPFWIISA-N 1 1 447.554 4.604 40 0 IJABMO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[N@@H+](C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000006301771 556832422 /nfs/dbraw/zinc/83/24/22/556832422.db2.gz WWCLRQXWCYIXEV-HSZRJFAPSA-N 1 1 434.588 4.600 40 0 IJABMO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)[N@H+](C)C3CCCCC3)c(=O)[nH]c2c1 ZINC000006301771 556832426 /nfs/dbraw/zinc/83/24/26/556832426.db2.gz WWCLRQXWCYIXEV-HSZRJFAPSA-N 1 1 434.588 4.600 40 0 IJABMO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019689349 556844312 /nfs/dbraw/zinc/84/43/12/556844312.db2.gz VZJVJULHDACBLP-QHCPKHFHSA-N 1 1 426.568 4.916 40 0 IJABMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019689349 556844316 /nfs/dbraw/zinc/84/43/16/556844316.db2.gz VZJVJULHDACBLP-QHCPKHFHSA-N 1 1 426.568 4.916 40 0 IJABMO Nc1ncnc2nc([C@@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)cc(C(F)(F)F)c12 ZINC000019743271 556887656 /nfs/dbraw/zinc/88/76/56/556887656.db2.gz NFYUXVHLWWLHHB-MRXNPFEDSA-N 1 1 438.457 4.554 40 0 IJABMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)cc1C ZINC000019755000 556898105 /nfs/dbraw/zinc/89/81/05/556898105.db2.gz UCZBLPDOMDOIEV-XMMPIXPASA-N 1 1 432.543 4.808 40 0 IJABMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)cc1C ZINC000019755000 556898109 /nfs/dbraw/zinc/89/81/09/556898109.db2.gz UCZBLPDOMDOIEV-XMMPIXPASA-N 1 1 432.543 4.808 40 0 IJABMO CC(C)NC(=O)c1cc([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)nc2ccccc21 ZINC000019761889 556905564 /nfs/dbraw/zinc/90/55/64/556905564.db2.gz RCVZYIZEXQPSFU-HXUWFJFHSA-N 1 1 439.563 4.753 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)c1 ZINC000072330487 556905924 /nfs/dbraw/zinc/90/59/24/556905924.db2.gz FMJMGKYZQJTKMJ-NVQXNPDNSA-N 1 1 429.564 4.782 40 0 IJABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352458 556924168 /nfs/dbraw/zinc/92/41/68/556924168.db2.gz SAYDPTZVLFZRFF-HXUWFJFHSA-N 1 1 445.588 4.815 40 0 IJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(Nc3ncccc3C)cn1)OCCO2 ZINC000072353197 556926088 /nfs/dbraw/zinc/92/60/88/556926088.db2.gz JFGKIXDKESOQJL-OAQYLSRUSA-N 1 1 432.524 4.646 40 0 IJABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc(Nc3ncccc3C)cn1)OCCO2 ZINC000072353197 556926091 /nfs/dbraw/zinc/92/60/91/556926091.db2.gz JFGKIXDKESOQJL-OAQYLSRUSA-N 1 1 432.524 4.646 40 0 IJABMO NC(=O)c1sc2ccccc2c1C[C@H]1CCC[N@H+]1Cc1ccc(Oc2ncccn2)cc1 ZINC000072370310 556934504 /nfs/dbraw/zinc/93/45/04/556934504.db2.gz YHHYGCBCOTZMLB-GOSISDBHSA-N 1 1 444.560 4.790 40 0 IJABMO COc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3cn(C)c4ccc(F)cc34)C2)[nH]n1 ZINC000072371727 556940516 /nfs/dbraw/zinc/94/05/16/556940516.db2.gz KGTNUBXYURYESP-SFHVURJKSA-N 1 1 448.542 4.660 40 0 IJABMO COc1ccccc1OCCc1cc([C@H]2CC[N@H+](Cc3cn(C)c4ccc(F)cc34)C2)n[nH]1 ZINC000072371727 556940517 /nfs/dbraw/zinc/94/05/17/556940517.db2.gz KGTNUBXYURYESP-SFHVURJKSA-N 1 1 448.542 4.660 40 0 IJABMO COc1ccccc1OCCc1cc([C@H]2CC[N@@H+](Cc3cn(C)c4ccc(F)cc34)C2)n[nH]1 ZINC000072371727 556940518 /nfs/dbraw/zinc/94/05/18/556940518.db2.gz KGTNUBXYURYESP-SFHVURJKSA-N 1 1 448.542 4.660 40 0 IJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)COc1ccc(C(C)C)cc1Br ZINC000019933036 556949596 /nfs/dbraw/zinc/94/95/96/556949596.db2.gz GIBSQGCCKPRNNR-UHFFFAOYSA-N 1 1 442.357 4.762 40 0 IJABMO OCCCn1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3nccs3)n2)c2ccccc21 ZINC000072375761 556953046 /nfs/dbraw/zinc/95/30/46/556953046.db2.gz MHSMGDSATPKFDD-JOCHJYFZSA-N 1 1 433.581 4.956 40 0 IJABMO Cc1cccnc1[C@@]1(O)CC[C@@H]2C[N@@H+](Cc3ccccc3OCc3cccc(F)c3)C[C@@H]21 ZINC000072392532 556963679 /nfs/dbraw/zinc/96/36/79/556963679.db2.gz BTQWPZCZVJBBPJ-SSEPRJSISA-N 1 1 432.539 4.838 40 0 IJABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccc4F)cc3)C[C@H]21 ZINC000072392533 556963705 /nfs/dbraw/zinc/96/37/05/556963705.db2.gz GTPXZDJENDHUEV-WBWMCNGVSA-N 1 1 432.539 4.838 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@](Cc3cc(-c4ccc(C)cc4)no3)(C(=O)N(C)C)C2)c1 ZINC000057775179 557265058 /nfs/dbraw/zinc/26/50/58/557265058.db2.gz HLGCQVMCXVNPCQ-MHZLTWQESA-N 1 1 447.579 4.572 40 0 IJABMO Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000014273623 557433225 /nfs/dbraw/zinc/43/32/25/557433225.db2.gz NBGSKDVWDBXYFZ-UHFFFAOYSA-N 1 1 449.982 4.988 40 0 IJABMO COc1ccccc1C(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000017099869 557483660 /nfs/dbraw/zinc/48/36/60/557483660.db2.gz RYZLUEMRQGDEMM-UHFFFAOYSA-N 1 1 435.955 4.923 40 0 IJABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccccc1C ZINC000224376917 557599294 /nfs/dbraw/zinc/59/92/94/557599294.db2.gz HIFRKISZPOLJBW-UHFFFAOYSA-N 1 1 444.575 4.931 40 0 IJABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(C)cc1 ZINC000224470882 557609637 /nfs/dbraw/zinc/60/96/37/557609637.db2.gz WDSDVECRHXOMSQ-UHFFFAOYSA-N 1 1 444.575 4.931 40 0 IJABMO COc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)cc1OC ZINC000224541327 557618732 /nfs/dbraw/zinc/61/87/32/557618732.db2.gz JQEUFWMIFPBPCV-UHFFFAOYSA-N 1 1 437.367 4.539 40 0 IJABMO CCn1c(=O)sc2cc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)ccc21 ZINC000225119981 557689586 /nfs/dbraw/zinc/68/95/86/557689586.db2.gz GDTDHGNLLJYMSM-INIZCTEOSA-N 1 1 429.973 4.587 40 0 IJABMO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1C ZINC000225589427 557748427 /nfs/dbraw/zinc/74/84/27/557748427.db2.gz LHRGPFHSMFWEID-GOSISDBHSA-N 1 1 432.967 4.892 40 0 IJABMO CC(C)CSc1nnc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)s1 ZINC000225804676 557779134 /nfs/dbraw/zinc/77/91/34/557779134.db2.gz TYIPLCDGZBAKAA-OAHLLOKOSA-N 1 1 425.023 4.790 40 0 IJABMO CC(C)CSc1nnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)s1 ZINC000225804676 557779137 /nfs/dbraw/zinc/77/91/37/557779137.db2.gz TYIPLCDGZBAKAA-OAHLLOKOSA-N 1 1 425.023 4.790 40 0 IJABMO COc1ccccc1[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000225825144 557781577 /nfs/dbraw/zinc/78/15/77/557781577.db2.gz HYBXXKYJLMAYQK-MRXNPFEDSA-N 1 1 431.374 4.547 40 0 IJABMO COc1cccc(OC)c1CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000225995671 557799791 /nfs/dbraw/zinc/79/97/91/557799791.db2.gz TXWUZWLVFWZHGC-UHFFFAOYSA-N 1 1 444.575 4.570 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CCCCCCC4)on3)C2)c1 ZINC000257226722 568677380 /nfs/dbraw/zinc/67/73/80/568677380.db2.gz FLVQPSSQVUZABF-HXUWFJFHSA-N 1 1 425.573 4.906 40 0 IJABMO COc1cccc(Cc2ccc([C@H]3CCC[N@@H+](CC(=O)N(C)C4CCCCC4)C3)nc2)c1 ZINC000257253442 568690193 /nfs/dbraw/zinc/69/01/93/568690193.db2.gz JYYIGRKVFBXIBW-QHCPKHFHSA-N 1 1 435.612 4.652 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257299517 568711177 /nfs/dbraw/zinc/71/11/77/568711177.db2.gz RQKJDEASXLDVJG-NRFANRHFSA-N 1 1 441.019 4.681 40 0 IJABMO CCCCC[C@]1(O)CC[N@H+](CC(=O)N(CC)c2cccc(C)c2)C[C@@H]1Oc1ccccc1 ZINC000257308625 568714871 /nfs/dbraw/zinc/71/48/71/568714871.db2.gz TXLCOVCMRWYRLF-BDYUSTAISA-N 1 1 438.612 4.813 40 0 IJABMO CCCCC[C@]1(O)CC[N@@H+](CC(=O)N(CC)c2cccc(C)c2)C[C@@H]1Oc1ccccc1 ZINC000257308625 568714874 /nfs/dbraw/zinc/71/48/74/568714874.db2.gz TXLCOVCMRWYRLF-BDYUSTAISA-N 1 1 438.612 4.813 40 0 IJABMO CCOc1ccc(C[NH+]2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)cc1CO ZINC000257326401 568722743 /nfs/dbraw/zinc/72/27/43/568722743.db2.gz WXCBJVJOMFPFTB-UHFFFAOYSA-N 1 1 432.568 4.799 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3F)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257335366 568726438 /nfs/dbraw/zinc/72/64/38/568726438.db2.gz YJWOFCMATKWGHW-NRFANRHFSA-N 1 1 438.591 4.604 40 0 IJABMO COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCCN(Cc3ccccc3Cl)C2)[N@@H+](C)C1 ZINC000248103552 569206966 /nfs/dbraw/zinc/20/69/66/569206966.db2.gz FJMHRDVMGPGWHF-MIZPHKNDSA-N 1 1 442.003 4.520 40 0 IJABMO CC(C)CNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063694 569219927 /nfs/dbraw/zinc/21/99/27/569219927.db2.gz RDIFQXVOMNYJJN-UHFFFAOYSA-N 1 1 445.966 4.716 40 0 IJABMO COC(=O)c1cc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)ccc1Cl ZINC000009063720 569220007 /nfs/dbraw/zinc/22/00/07/569220007.db2.gz SUXSVLWBXSUFLM-UHFFFAOYSA-N 1 1 439.314 4.770 40 0 IJABMO COc1cc(C[N@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)ccc1OC(C)C ZINC000019704654 569233594 /nfs/dbraw/zinc/23/35/94/569233594.db2.gz YCFGAOLUNMUEAW-IBGZPJMESA-N 1 1 439.531 4.913 40 0 IJABMO COc1cc(C[N@@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)ccc1OC(C)C ZINC000019704654 569233596 /nfs/dbraw/zinc/23/35/96/569233596.db2.gz YCFGAOLUNMUEAW-IBGZPJMESA-N 1 1 439.531 4.913 40 0 IJABMO COc1cc(C[N@H+]2CC[C@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)ccc1OC(C)C ZINC000019704654 569233598 /nfs/dbraw/zinc/23/35/98/569233598.db2.gz YCFGAOLUNMUEAW-IBGZPJMESA-N 1 1 439.531 4.913 40 0 IJABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCOCC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705355 569234115 /nfs/dbraw/zinc/23/41/15/569234115.db2.gz VSZZNIVVOYXQMD-QFIPXVFZSA-N 1 1 437.005 4.536 40 0 IJABMO COc1ccc2c(C[N@H+]3CC[C@H]4[C@H]3CCCCC(=O)N4Cc3ccccc3F)c[nH]c2c1 ZINC000019713866 569235738 /nfs/dbraw/zinc/23/57/38/569235738.db2.gz FJFKWILUPMBJRF-RPBOFIJWSA-N 1 1 435.543 4.861 40 0 IJABMO COc1ccc(CC[N@@H+]2CCO[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000019693256 569326436 /nfs/dbraw/zinc/32/64/36/569326436.db2.gz OGOOBRICVIEVDL-OAQYLSRUSA-N 1 1 443.469 4.787 40 0 IJABMO COc1ccc(CC[N@H+]2CCO[C@@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000019693256 569326438 /nfs/dbraw/zinc/32/64/38/569326438.db2.gz OGOOBRICVIEVDL-OAQYLSRUSA-N 1 1 443.469 4.787 40 0 IJABMO COc1ccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022870947 525380523 /nfs/dbraw/zinc/38/05/23/525380523.db2.gz BBAJRFXAJHAPJE-AREMUKBSSA-N 1 1 427.548 4.891 40 0 IJABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)CC1 ZINC000408578606 555918872 /nfs/dbraw/zinc/91/88/72/555918872.db2.gz ZFHVHIAYNMODRG-UHFFFAOYSA-N 1 1 439.408 4.894 40 0 IJABMO CC[NH+]1CCN(C(=S)c2cccc(OC)c2OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000408573299 555923304 /nfs/dbraw/zinc/92/33/04/555923304.db2.gz JSIXQTZCIHRUQB-UHFFFAOYSA-N 1 1 439.408 4.894 40 0 IJABMO COc1ccc(Cl)cc1NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038849407 556624081 /nfs/dbraw/zinc/62/40/81/556624081.db2.gz OEKMDYAYIAZROR-UHFFFAOYSA-N 1 1 437.765 4.962 40 0 IJABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(OC)cc1 ZINC000044936343 556682611 /nfs/dbraw/zinc/68/26/11/556682611.db2.gz UEMJPJPEROMIDI-QFIPXVFZSA-N 1 1 445.401 4.937 40 0 IJABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000019081825 556696389 /nfs/dbraw/zinc/69/63/89/556696389.db2.gz OCZGADVLIXWQPP-UTKZUKDTSA-N 1 1 443.975 4.579 40 0 IJABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccccc1OCc1cccc(F)c1)C2 ZINC000019348752 556744118 /nfs/dbraw/zinc/74/41/18/556744118.db2.gz QXYGCESCLMASBN-VKSRLUHHSA-N 1 1 432.539 4.919 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1cccc(F)c1 ZINC000019400557 556753139 /nfs/dbraw/zinc/75/31/39/556753139.db2.gz OVDVIHZHNCOBMB-DVECYGJZSA-N 1 1 439.481 4.882 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCCO1 ZINC000019400527 556753241 /nfs/dbraw/zinc/75/32/41/556753241.db2.gz KMZXNDXAHDIQCF-VOQZNFBZSA-N 1 1 448.394 4.637 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCCO1 ZINC000019400527 556753244 /nfs/dbraw/zinc/75/32/44/556753244.db2.gz KMZXNDXAHDIQCF-VOQZNFBZSA-N 1 1 448.394 4.637 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1cccs1 ZINC000019400725 556753588 /nfs/dbraw/zinc/75/35/88/556753588.db2.gz AHCNFQLWXMZFPT-HTAPYJJXSA-N 1 1 427.520 4.805 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1cccs1 ZINC000019400725 556753589 /nfs/dbraw/zinc/75/35/89/556753589.db2.gz AHCNFQLWXMZFPT-HTAPYJJXSA-N 1 1 427.520 4.805 40 0 IJABMO CCn1ncc(C[N@H+]2CCC[C@@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)c1C ZINC000019523948 556781283 /nfs/dbraw/zinc/78/12/83/556781283.db2.gz CAVUZEUCCQYWHG-GOSISDBHSA-N 1 1 432.490 4.518 40 0 IJABMO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000019528734 556789107 /nfs/dbraw/zinc/78/91/07/556789107.db2.gz MSKZGDLFVSHHJN-MUUNZHRXSA-N 1 1 443.591 4.718 40 0 IJABMO CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000019528736 556789125 /nfs/dbraw/zinc/78/91/25/556789125.db2.gz GBSXVOAPAHDIBB-MUUNZHRXSA-N 1 1 443.591 4.718 40 0 IJABMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002310299 556799617 /nfs/dbraw/zinc/79/96/17/556799617.db2.gz ZWTCZQVDMNQUBP-TWKFVSLJSA-N 1 1 441.572 4.581 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c1OC ZINC000019564357 556805175 /nfs/dbraw/zinc/80/51/75/556805175.db2.gz ADZOIFOSRCVVKV-CQSZACIVSA-N 1 1 435.446 4.947 40 0 IJABMO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006301831 556832413 /nfs/dbraw/zinc/83/24/13/556832413.db2.gz RAJGDZSWRHSMOK-HSZRJFAPSA-N 1 1 434.588 4.602 40 0 IJABMO COCCn1c(C)c(C[N@H+]2CCC[C@H](c3ccc(-c4cnn(C)c4)cn3)C2)c2ccccc21 ZINC000019689229 556843934 /nfs/dbraw/zinc/84/39/34/556843934.db2.gz AJMZXNGTTUBYQN-QFIPXVFZSA-N 1 1 443.595 4.771 40 0 IJABMO CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019694386 556850303 /nfs/dbraw/zinc/85/03/03/556850303.db2.gz DYUIABKNWFXEAO-HXUWFJFHSA-N 1 1 444.505 4.689 40 0 IJABMO COc1ccccc1CCC(=O)N1CCC(Cc2cc(NC3CCCC3)nc(C)[nH+]2)CC1 ZINC000019758835 556902671 /nfs/dbraw/zinc/90/26/71/556902671.db2.gz CMNJPTGMVMOVIQ-UHFFFAOYSA-N 1 1 436.600 4.562 40 0 IJABMO Cc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C1)OCO2 ZINC000072330435 556905567 /nfs/dbraw/zinc/90/55/67/556905567.db2.gz IZPLPUKKDKKGOC-KOSHJBKYSA-N 1 1 449.576 4.564 40 0 IJABMO COc1cc(C)c(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1OC ZINC000072340884 556912822 /nfs/dbraw/zinc/91/28/22/556912822.db2.gz HKJMJZCUUAACDS-INIZCTEOSA-N 1 1 448.489 4.762 40 0 IJABMO C=C1[NH+]=C(SCc2cccc(C)c2)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408994010 556913002 /nfs/dbraw/zinc/91/30/02/556913002.db2.gz YBFPNDQVFASYPU-JOCHJYFZSA-N 1 1 440.565 4.783 40 0 IJABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)COc3ccc(F)cc3F)c2)s1 ZINC000072372633 556943325 /nfs/dbraw/zinc/94/33/25/556943325.db2.gz DIMHYEWSRKMVLQ-LJQANCHMSA-N 1 1 444.507 4.919 40 0 IJABMO Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)CN(C)Cc2ccccc2F)[nH+]1 ZINC000072372737 556944261 /nfs/dbraw/zinc/94/42/61/556944261.db2.gz KNUWOYIOJKQPBP-OAQYLSRUSA-N 1 1 439.560 4.525 40 0 IJABMO C=Cn1cc(C[N@@H+]2CCC[C@](Cc3cc(-c4ccccc4C)no3)(C(=O)OCC)C2)c(C)n1 ZINC000072394049 556965615 /nfs/dbraw/zinc/96/56/15/556965615.db2.gz AVXPEZQSHCMTPJ-AREMUKBSSA-N 1 1 448.567 4.643 40 0 IJABMO O=S(=O)(Cc1ccccc1)N1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096071132 557167969 /nfs/dbraw/zinc/16/79/69/557167969.db2.gz XIVFHMSBNMZJKA-MHZLTWQESA-N 1 1 446.616 4.781 40 0 IJABMO O[C@@]1(COc2ccc(F)c(Cl)c2)COCC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585284345 557224237 /nfs/dbraw/zinc/22/42/37/557224237.db2.gz XAGFDKXYESYMJV-YOSAUDMPSA-N 1 1 433.951 4.648 40 0 IJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501101 557324700 /nfs/dbraw/zinc/32/47/00/557324700.db2.gz HXLJHZQEEOIALV-QFIPXVFZSA-N 1 1 434.588 4.834 40 0 IJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501101 557324703 /nfs/dbraw/zinc/32/47/03/557324703.db2.gz HXLJHZQEEOIALV-QFIPXVFZSA-N 1 1 434.588 4.834 40 0 IJABMO O=S(=O)(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1cc(Cl)ccc1Cl ZINC000222992209 557413100 /nfs/dbraw/zinc/41/31/00/557413100.db2.gz STATZQRRPICHLG-UHFFFAOYSA-N 1 1 430.744 4.585 40 0 IJABMO O=C(Nc1ccccc1C(=O)N1CCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579204 557746105 /nfs/dbraw/zinc/74/61/05/557746105.db2.gz UZRCCCCGKMNGKW-UHFFFAOYSA-N 1 1 443.950 4.566 40 0 IJABMO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225589253 557748386 /nfs/dbraw/zinc/74/83/86/557748386.db2.gz VXXVLUNWLTVYDZ-UHFFFAOYSA-N 1 1 425.331 4.540 40 0 IJABMO CC(C)CC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000059557232 557827450 /nfs/dbraw/zinc/82/74/50/557827450.db2.gz SQCKVYGATTXYDV-UHFFFAOYSA-N 1 1 445.032 4.521 40 0 IJABMO COc1ccc2c(C[N@@H+]3CCO[C@@H](c4cccc(Nc5nc(C)cs5)n4)C3)cn(C)c2c1 ZINC000257217949 568673312 /nfs/dbraw/zinc/67/33/12/568673312.db2.gz DBGNYDXJEMFSND-JOCHJYFZSA-N 1 1 449.580 4.664 40 0 IJABMO COc1ccc2c(C[N@H+]3CCO[C@@H](c4cccc(Nc5nc(C)cs5)n4)C3)cn(C)c2c1 ZINC000257217949 568673316 /nfs/dbraw/zinc/67/33/16/568673316.db2.gz DBGNYDXJEMFSND-JOCHJYFZSA-N 1 1 449.580 4.664 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCC[N@@H+]3Cc3cccc(C)c3)nn2c1C ZINC000257220715 568674621 /nfs/dbraw/zinc/67/46/21/568674621.db2.gz DLVPLQNSWVXWNT-RUZDIDTESA-N 1 1 447.627 4.841 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCC[N@H+]3Cc3cccc(C)c3)nn2c1C ZINC000257220715 568674625 /nfs/dbraw/zinc/67/46/25/568674625.db2.gz DLVPLQNSWVXWNT-RUZDIDTESA-N 1 1 447.627 4.841 40 0 IJABMO Cc1nc(Nc2cccc([C@@H]3C[N@H+](Cc4cn(C)c5ccccc45)CCO3)n2)sc1C ZINC000257232523 568679957 /nfs/dbraw/zinc/67/99/57/568679957.db2.gz GLFSVKLPGWAQJW-QFIPXVFZSA-N 1 1 433.581 4.964 40 0 IJABMO Cc1nc(Nc2cccc([C@@H]3C[N@@H+](Cc4cn(C)c5ccccc45)CCO3)n2)sc1C ZINC000257232523 568679960 /nfs/dbraw/zinc/67/99/60/568679960.db2.gz GLFSVKLPGWAQJW-QFIPXVFZSA-N 1 1 433.581 4.964 40 0 IJABMO Clc1ccc(OCCc2cc([C@H]3CN(Cc4ccnc5ccccc45)CCO3)n[nH]2)cc1 ZINC000257240778 568683924 /nfs/dbraw/zinc/68/39/24/568683924.db2.gz HVELKJUZCVLQGN-RUZDIDTESA-N 1 1 448.954 4.806 40 0 IJABMO Clc1ccc(OCCc2cc([C@H]3C[N@H+](Cc4ccnc5ccccc45)CCO3)[nH]n2)cc1 ZINC000257240778 568683927 /nfs/dbraw/zinc/68/39/27/568683927.db2.gz HVELKJUZCVLQGN-RUZDIDTESA-N 1 1 448.954 4.806 40 0 IJABMO Clc1ccc(OCCc2cc([C@H]3C[N@@H+](Cc4ccnc5ccccc45)CCO3)[nH]n2)cc1 ZINC000257240778 568683929 /nfs/dbraw/zinc/68/39/29/568683929.db2.gz HVELKJUZCVLQGN-RUZDIDTESA-N 1 1 448.954 4.806 40 0 IJABMO CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](C4CCN(C)CC4)CC3)CO[C@H]21 ZINC000257268453 568697034 /nfs/dbraw/zinc/69/70/34/568697034.db2.gz MLSRATGSQVGYTL-JTHBVZDNSA-N 1 1 428.617 4.510 40 0 IJABMO CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C4CC[NH+](C)CC4)CC3)CO[C@H]21 ZINC000257268453 568697037 /nfs/dbraw/zinc/69/70/37/568697037.db2.gz MLSRATGSQVGYTL-JTHBVZDNSA-N 1 1 428.617 4.510 40 0 IJABMO Cc1cccc2nc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@@H+](C)[C@H]4Cc3ccccc3)cn21 ZINC000257277883 568701040 /nfs/dbraw/zinc/70/10/40/568701040.db2.gz NZWPXAYGLGDJTE-CPIYQPHESA-N 1 1 442.607 4.731 40 0 IJABMO Cc1cc(Nc2ccccn2)cc([C@@H]2CN(C(=O)CCc3c[nH]c4ccccc34)CCO2)[nH+]1 ZINC000257290078 568706794 /nfs/dbraw/zinc/70/67/94/568706794.db2.gz QBMNEFNOJXWZPR-DEOSSOPVSA-N 1 1 441.535 4.543 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)nc(C)c1CC(=O)N1CCCCC1 ZINC000257331348 568724915 /nfs/dbraw/zinc/72/49/15/568724915.db2.gz XSMAYUWHIDACND-NRFANRHFSA-N 1 1 441.019 4.681 40 0 IJABMO CCc1cc([C@@H](c2cccc(OC)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001235992 568885894 /nfs/dbraw/zinc/88/58/94/568885894.db2.gz PMZANMIIAKZVIC-XMMPIXPASA-N 1 1 449.620 4.908 40 0 IJABMO O=C(c1ccccc1Br)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000016449253 568893711 /nfs/dbraw/zinc/89/37/11/568893711.db2.gz LHNVBPDNDNHXIK-UHFFFAOYSA-N 1 1 430.733 4.613 40 0 IJABMO COc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC000247915624 569206466 /nfs/dbraw/zinc/20/64/66/569206466.db2.gz MFFBDBNJEMASCK-IZZNHLLZSA-N 1 1 430.592 4.894 40 0 IJABMO COc1cccc(-c2cc(C)nc(C3CCN(C(=O)Cn4cc[nH+]c4C(C)C)CC3)c2)c1 ZINC000019690982 569227600 /nfs/dbraw/zinc/22/76/00/569227600.db2.gz GNVHKBRWCZYKSL-UHFFFAOYSA-N 1 1 432.568 4.792 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)c1 ZINC000019705275 569234105 /nfs/dbraw/zinc/23/41/05/569234105.db2.gz DPPCPYGKBPCRNU-RUZDIDTESA-N 1 1 438.593 4.913 40 0 IJABMO Cc1nc([C@]2(O)CCC[N@H+](C3CCCC3)CC2)sc1CCOc1ccc(F)c(F)c1 ZINC000019705417 569234257 /nfs/dbraw/zinc/23/42/57/569234257.db2.gz ICHLFLHTRCYYBO-QHCPKHFHSA-N 1 1 436.568 4.967 40 0 IJABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccnc3ccccc23)cc1 ZINC000019713153 569235473 /nfs/dbraw/zinc/23/54/73/569235473.db2.gz MCIBIBJWGSTNET-FTJBHMTQSA-N 1 1 429.564 4.789 40 0 IJABMO Cc1nc2sccn2c1C[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713400 569235666 /nfs/dbraw/zinc/23/56/66/569235666.db2.gz BCRAOUINADTJDK-ZJSXRUAMSA-N 1 1 440.588 4.779 40 0 IJABMO Cc1nc([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019758031 569237418 /nfs/dbraw/zinc/23/74/18/569237418.db2.gz YHMYHWNPYQBRHS-INIZCTEOSA-N 1 1 442.897 4.958 40 0 IJABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019758031 569237419 /nfs/dbraw/zinc/23/74/19/569237419.db2.gz YHMYHWNPYQBRHS-INIZCTEOSA-N 1 1 442.897 4.958 40 0 IJABMO OCC[NH+]1CCN(CCC[C@H]2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000077291816 569293263 /nfs/dbraw/zinc/29/32/63/569293263.db2.gz KQKMVCKAKBHVAL-SFHVURJKSA-N 1 1 436.543 4.692 40 0 in-vitro IJABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CCCC[N@H+]2CCc2ccccc2)nc1C ZINC000019753456 569328360 /nfs/dbraw/zinc/32/83/60/569328360.db2.gz OKFOMXYPQCBUPU-QHCPKHFHSA-N 1 1 430.552 4.816 40 0 IJABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2Cl)CC1 ZINC000006026480 132275705 /nfs/dbraw/zinc/27/57/05/132275705.db2.gz ZPKKSFXDIJWYNS-UHFFFAOYSA-N 1 1 429.992 4.931 40 0 IJABMO C[C@@H]1CCCC[N@H+]1C[C@]1(C)COc2c(Br)cc(Br)cc2C1=O ZINC000035193460 524116364 /nfs/dbraw/zinc/11/63/64/524116364.db2.gz LPOZMPDPRTXQTO-PIGZYNQJSA-N 1 1 431.168 4.667 40 0 IJABMO COc1cc(CNc2ccc([NH+]3CCCCC3)cc2)ccc1OCC(=O)NC(C)(C)C ZINC000000679413 555536852 /nfs/dbraw/zinc/53/68/52/555536852.db2.gz BGLFXAIRRRFKQS-UHFFFAOYSA-N 1 1 425.573 4.591 40 0 IJABMO Nc1[nH+]cnc2c1c(-c1ccc(Cl)cc1)cn2-c1ccc(I)cc1 ZINC000001609267 555705714 /nfs/dbraw/zinc/70/57/14/555705714.db2.gz OUZZJJCCFBDXOI-UHFFFAOYSA-N 1 1 446.679 4.928 40 0 IJABMO O=S1(=O)[C@H](c2ccccc2)[C@H](N2CCCCC2)[C@@H]1[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000004973111 556024803 /nfs/dbraw/zinc/02/48/03/556024803.db2.gz KJCFJAOAXVRAHX-ZJSPYRCASA-N 1 1 438.637 4.606 40 0 IJABMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2C)CC1 ZINC000036628365 556599070 /nfs/dbraw/zinc/59/90/70/556599070.db2.gz VJXRTHNQWFHEEY-UHFFFAOYSA-N 1 1 439.563 4.845 40 0 IJABMO O=C([C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850742 556624815 /nfs/dbraw/zinc/62/48/15/556624815.db2.gz UCJCPSHWMMOJSD-OAQYLSRUSA-N 1 1 446.422 4.550 40 0 IJABMO COc1ccc(CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1OC ZINC000044851797 556670712 /nfs/dbraw/zinc/67/07/12/556670712.db2.gz JEKVCHPIAOQTNL-UHFFFAOYSA-N 1 1 444.575 4.625 40 0 IJABMO c1cnc(Oc2cccc(C[N@@H+]3CCOC[C@@H](Cc4cccc5ccncc54)C3)c2)nc1 ZINC000257334272 556706325 /nfs/dbraw/zinc/70/63/25/556706325.db2.gz YFFIWUASHCLBIW-NRFANRHFSA-N 1 1 426.520 4.508 40 0 IJABMO Cc1cc(C)cc(-c2cccc(CC3(C(=O)NC[C@H]4CCC[N@H+](C)C4)CCOCC3)c2)c1 ZINC000257339208 556707006 /nfs/dbraw/zinc/70/70/06/556707006.db2.gz ZASJVASTMRMFPH-XMMPIXPASA-N 1 1 434.624 4.768 40 0 IJABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccccc4OCc4cccc(F)c4)C[C@H]32)nc1 ZINC000019216024 556711898 /nfs/dbraw/zinc/71/18/98/556711898.db2.gz VLDCIJITCIYNKF-WBWMCNGVSA-N 1 1 432.539 4.838 40 0 IJABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019293422 556732911 /nfs/dbraw/zinc/73/29/11/556732911.db2.gz YAVYFUPDNCNAJW-VABKMULXSA-N 1 1 437.996 4.927 40 0 IJABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(OCc3ccccc3F)cc1)C2 ZINC000019349605 556744414 /nfs/dbraw/zinc/74/44/14/556744414.db2.gz IIXDYSLRWDMYSA-VKSRLUHHSA-N 1 1 432.539 4.919 40 0 IJABMO O=C(Cc1ccccc1)N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019370406 556747758 /nfs/dbraw/zinc/74/77/58/556747758.db2.gz ZYXWUYHGGWRYPU-AREMUKBSSA-N 1 1 435.518 4.672 40 0 IJABMO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000000926491 556753155 /nfs/dbraw/zinc/75/31/55/556753155.db2.gz MAMKPAZWIRSHNT-UHFFFAOYSA-N 1 1 436.604 4.611 40 0 IJABMO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 ZINC000000926491 556753159 /nfs/dbraw/zinc/75/31/59/556753159.db2.gz MAMKPAZWIRSHNT-UHFFFAOYSA-N 1 1 436.604 4.611 40 0 IJABMO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000019401534 556753839 /nfs/dbraw/zinc/75/38/39/556753839.db2.gz ITCZWEIFDNOSRL-IBGZPJMESA-N 1 1 426.499 4.806 40 0 IJABMO COc1ccccc1-c1ccc(C[C@@]2(C(=O)NC(C)C)CC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000019449586 556760455 /nfs/dbraw/zinc/76/04/55/556760455.db2.gz VNINTBAYYSHYST-NDEPHWFRSA-N 1 1 443.591 4.717 40 0 IJABMO CNc1ncc(C[N@H+]2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c43)C2)cn1 ZINC000019452115 556762964 /nfs/dbraw/zinc/76/29/64/556762964.db2.gz MTXJGVROQDNRBK-AWEZNQCLSA-N 1 1 434.466 4.576 40 0 IJABMO CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000019500915 556772703 /nfs/dbraw/zinc/77/27/03/556772703.db2.gz PWZBKINEXBLNDF-FUHIMQAGSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000019500915 556772705 /nfs/dbraw/zinc/77/27/05/556772705.db2.gz PWZBKINEXBLNDF-FUHIMQAGSA-N 1 1 449.521 4.626 40 0 IJABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3cncn3CC)C2)c2sccn12 ZINC000019523110 556780502 /nfs/dbraw/zinc/78/05/02/556780502.db2.gz AUFXTOPGJDIQAK-SFHVURJKSA-N 1 1 448.596 4.938 40 0 IJABMO COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000001359051 556785888 /nfs/dbraw/zinc/78/58/88/556785888.db2.gz KTRNYPLVMVAAMC-UHFFFAOYSA-N 1 1 433.339 4.696 40 0 IJABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(C)c1C ZINC000019577376 556815563 /nfs/dbraw/zinc/81/55/63/556815563.db2.gz SDTRXFRZKWCGBP-QHCPKHFHSA-N 1 1 431.584 4.957 40 0 IJABMO C[NH+](C)[C@H](C(=O)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1)c1ccc(F)cc1 ZINC000019581570 556819671 /nfs/dbraw/zinc/81/96/71/556819671.db2.gz RKQDOCOIOSHCNC-VFNWGFHPSA-N 1 1 448.464 4.730 40 0 IJABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000006300630 556832135 /nfs/dbraw/zinc/83/21/35/556832135.db2.gz 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COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)CC1 ZINC000020241852 569241318 /nfs/dbraw/zinc/24/13/18/569241318.db2.gz BQQRLOSMIQEIDX-UHFFFAOYSA-N 1 1 429.564 4.887 40 0 IJABMO COc1ccc(CC[N@@H+]2CCO[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000019693257 569326468 /nfs/dbraw/zinc/32/64/68/569326468.db2.gz OGOOBRICVIEVDL-NRFANRHFSA-N 1 1 443.469 4.787 40 0 IJABMO COc1ccc(CC[N@H+]2CCO[C@H](c3nccnc3-c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000019693257 569326469 /nfs/dbraw/zinc/32/64/69/569326469.db2.gz OGOOBRICVIEVDL-NRFANRHFSA-N 1 1 443.469 4.787 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)cc1 ZINC000019705261 569327556 /nfs/dbraw/zinc/32/75/56/569327556.db2.gz QGGLWXFIJNIIAL-RUZDIDTESA-N 1 1 438.593 4.913 40 0 IJABMO Cc1ccccc1C[N@H+]1CCC[C@@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765483 569329105 /nfs/dbraw/zinc/32/91/05/569329105.db2.gz BANHWKKKIDUKLC-JOCHJYFZSA-N 1 1 432.543 4.542 40 0 IJABMO Brc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)C2 ZINC000328965668 569582758 /nfs/dbraw/zinc/58/27/58/569582758.db2.gz CFAPMGVVQMZQLR-UHFFFAOYSA-N 1 1 435.369 5.291 40 0 IJABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccn1)C2)N1c2ccccc2Sc2ccccc21 ZINC000012114628 526824256 /nfs/dbraw/zinc/82/42/56/526824256.db2.gz BJQAHCUTZIBFPN-ULZZTYQWSA-N 1 1 443.572 4.726 40 0 IJABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccn1)C2)N1c2ccccc2Sc2ccccc21 ZINC000012114628 526824262 /nfs/dbraw/zinc/82/42/62/526824262.db2.gz BJQAHCUTZIBFPN-ULZZTYQWSA-N 1 1 443.572 4.726 40 0 IJABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCc1c(Cl)cccc1Cl ZINC000408573819 555923997 /nfs/dbraw/zinc/92/39/97/555923997.db2.gz KUKZFSRJRUUCHO-UHFFFAOYSA-N 1 1 439.408 4.894 40 0 IJABMO Cc1nc(SCC(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)oc1C ZINC000012088152 556401152 /nfs/dbraw/zinc/40/11/52/556401152.db2.gz LFKBGWHGQWGOEI-QGZVFWFLSA-N 1 1 441.601 4.648 40 0 IJABMO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000030939526 556515976 /nfs/dbraw/zinc/51/59/76/556515976.db2.gz MVRHOZOGVHWILM-UHFFFAOYSA-N 1 1 448.394 4.984 40 0 IJABMO COc1cc(C[NH2+]Cc2ccccn2)cc(Br)c1OCc1ccccc1F ZINC000016195874 556590453 /nfs/dbraw/zinc/59/04/53/556590453.db2.gz FCVRPLAIELXZSD-UHFFFAOYSA-N 1 1 431.305 4.861 40 0 IJABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc(I)cc3)cc2)C1 ZINC000038834856 556622768 /nfs/dbraw/zinc/62/27/68/556622768.db2.gz TTYLXFMNISELGM-HNNXBMFYSA-N 1 1 434.321 4.775 40 0 IJABMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCN(c2ccccc2)CC1 ZINC000038836021 556623074 /nfs/dbraw/zinc/62/30/74/556623074.db2.gz HZFKVNLRVRPBAJ-SFHVURJKSA-N 1 1 432.395 4.554 40 0 IJABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(OC)cc1 ZINC000044936347 556682622 /nfs/dbraw/zinc/68/26/22/556682622.db2.gz UEMJPJPEROMIDI-JOCHJYFZSA-N 1 1 445.401 4.937 40 0 IJABMO COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CC[N@@H+](Cc4ccc(Cl)c(Cl)c4)C[C@@H]32)cc1 ZINC000019019405 556693061 /nfs/dbraw/zinc/69/30/61/556693061.db2.gz NZQPQGGHGPPJAO-TXTKFYIRSA-N 1 1 433.379 4.838 40 0 IJABMO COc1cccc([C@@H]2CN(C(=O)C(C)(C)C)[C@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@@H]23)c1 ZINC000019081679 556696378 /nfs/dbraw/zinc/69/63/78/556696378.db2.gz ZNXIYMCSAPOWMQ-FUDKSRODSA-N 1 1 442.550 4.836 40 0 IJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000019238620 556723861 /nfs/dbraw/zinc/72/38/61/556723861.db2.gz SVWNNNQRULKZAG-CYFREDJKSA-N 1 1 435.593 4.843 40 0 IJABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c32)C1 ZINC000019288036 556728563 /nfs/dbraw/zinc/72/85/63/556728563.db2.gz VHNKKANGPUHKKI-OAHLLOKOSA-N 1 1 449.477 4.666 40 0 IJABMO O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019376084 556751901 /nfs/dbraw/zinc/75/19/01/556751901.db2.gz RPIWKABZGXLTAV-HXUWFJFHSA-N 1 1 444.510 4.672 40 0 IJABMO O=C(N[C@@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1cccs1 ZINC000019400817 556753424 /nfs/dbraw/zinc/75/34/24/556753424.db2.gz WOMKDPXNZMMRLT-JOCHJYFZSA-N 1 1 427.520 4.805 40 0 IJABMO COc1cccc(C[N@H+]2CC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)c1 ZINC000019449544 556760412 /nfs/dbraw/zinc/76/04/12/556760412.db2.gz AOHUGMJVHLGTQE-MUUNZHRXSA-N 1 1 443.591 4.717 40 0 IJABMO CC(C)c1ncc(C[N@H+]2CC[C@@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019453978 556764417 /nfs/dbraw/zinc/76/44/17/556764417.db2.gz SVXCMNFFERKRAD-SANMLTNESA-N 1 1 448.636 4.852 40 0 IJABMO COc1ccc(C[N@H+](Cc2cnc(SC)nc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554840 556797998 /nfs/dbraw/zinc/79/79/98/556797998.db2.gz VQTDSLLWZVVMEF-XZOQPEGZSA-N 1 1 439.556 4.531 40 0 IJABMO COc1ccc(C[N@@H+](Cc2cnc(SC)nc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000019554840 556798002 /nfs/dbraw/zinc/79/80/02/556798002.db2.gz VQTDSLLWZVVMEF-XZOQPEGZSA-N 1 1 439.556 4.531 40 0 IJABMO COCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 ZINC000019574875 556814678 /nfs/dbraw/zinc/81/46/78/556814678.db2.gz PYYXICGBXLOGBA-CDHQVMDDSA-N 1 1 438.494 4.553 40 0 IJABMO COCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 ZINC000019574875 556814680 /nfs/dbraw/zinc/81/46/80/556814680.db2.gz PYYXICGBXLOGBA-CDHQVMDDSA-N 1 1 438.494 4.553 40 0 IJABMO Cc1n[nH]cc1C(=O)N1CCC[C@@H](c2[nH+]c(Nc3ccccc3)n3c(C)c(C)sc23)C1 ZINC000019582383 556820164 /nfs/dbraw/zinc/82/01/64/556820164.db2.gz APTMCKMPHUWAAH-QGZVFWFLSA-N 1 1 434.569 4.808 40 0 IJABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)c(=O)[nH]c2c1 ZINC000006301635 556832467 /nfs/dbraw/zinc/83/24/67/556832467.db2.gz RAJGDZSWRHSMOK-QHCPKHFHSA-N 1 1 434.588 4.602 40 0 IJABMO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCC[N@@H+](Cc5ccccc5C)C4)ccc23)n1 ZINC000019742749 556886877 /nfs/dbraw/zinc/88/68/77/556886877.db2.gz UBBUDCKUKRELRA-OAQYLSRUSA-N 1 1 426.568 4.961 40 0 IJABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCC[N@H+](Cc5ccccc5C)C4)ccc32)n1 ZINC000019742749 556886879 /nfs/dbraw/zinc/88/68/79/556886879.db2.gz UBBUDCKUKRELRA-OAQYLSRUSA-N 1 1 426.568 4.961 40 0 IJABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCC[N@@H+](Cc5ccccc5C)C4)ccc32)n1 ZINC000019742749 556886882 /nfs/dbraw/zinc/88/68/82/556886882.db2.gz UBBUDCKUKRELRA-OAQYLSRUSA-N 1 1 426.568 4.961 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1cccs1 ZINC000072330427 556905576 /nfs/dbraw/zinc/90/55/76/556905576.db2.gz AHCNFQLWXMZFPT-JTSKRJEESA-N 1 1 427.520 4.805 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1cccs1 ZINC000072330427 556905578 /nfs/dbraw/zinc/90/55/78/556905578.db2.gz AHCNFQLWXMZFPT-JTSKRJEESA-N 1 1 427.520 4.805 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)cc1 ZINC000072330488 556906189 /nfs/dbraw/zinc/90/61/89/556906189.db2.gz WCILFSWZHNERAL-GJZUVCINSA-N 1 1 429.564 4.782 40 0 IJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000072341446 556913719 /nfs/dbraw/zinc/91/37/19/556913719.db2.gz GVPAEGKKXZWRBM-NQIIRXRSSA-N 1 1 427.520 4.805 40 0 IJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000072341446 556913722 /nfs/dbraw/zinc/91/37/22/556913722.db2.gz GVPAEGKKXZWRBM-NQIIRXRSSA-N 1 1 427.520 4.805 40 0 IJABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000072352459 556924201 /nfs/dbraw/zinc/92/42/01/556924201.db2.gz SAYDPTZVLFZRFF-FQEVSTJZSA-N 1 1 445.588 4.815 40 0 IJABMO CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(F)cc23)C1 ZINC000072352533 556924436 /nfs/dbraw/zinc/92/44/36/556924436.db2.gz NPKUJXSLQNGGCI-OAHLLOKOSA-N 1 1 436.556 4.618 40 0 IJABMO COc1ccc2c(C[N@H+]3CCC[C@H](c4cc(-c5cnn(C)c5)cc(C)n4)C3)cn(C)c2c1 ZINC000072353751 556928041 /nfs/dbraw/zinc/92/80/41/556928041.db2.gz QJROZOXZIFVQCC-IBGZPJMESA-N 1 1 429.568 4.670 40 0 IJABMO Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCC[N@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072353967 556928608 /nfs/dbraw/zinc/92/86/08/556928608.db2.gz WCSYUEAXCCPDKD-QFIPXVFZSA-N 1 1 448.998 4.525 40 0 IJABMO Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCC[N@@H+](CC(=O)NCc3ccccn3)C2)n1 ZINC000072353967 556928611 /nfs/dbraw/zinc/92/86/11/556928611.db2.gz WCSYUEAXCCPDKD-QFIPXVFZSA-N 1 1 448.998 4.525 40 0 IJABMO Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)n1 ZINC000072354202 556929318 /nfs/dbraw/zinc/92/93/18/556929318.db2.gz PBEJAFGRJLPQFL-JOCHJYFZSA-N 1 1 434.559 4.846 40 0 IJABMO CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000072359229 556932139 /nfs/dbraw/zinc/93/21/39/556932139.db2.gz WWFMGABFSUNMJZ-JOCHJYFZSA-N 1 1 425.536 4.963 40 0 IJABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1cccnc1N(C)C ZINC000072370694 556935905 /nfs/dbraw/zinc/93/59/05/556935905.db2.gz QJZGBTZDDOCTLQ-LJQANCHMSA-N 1 1 436.625 4.709 40 0 IJABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1cccnc1N(C)C ZINC000072370693 556935947 /nfs/dbraw/zinc/93/59/47/556935947.db2.gz QJZGBTZDDOCTLQ-IBGZPJMESA-N 1 1 436.625 4.709 40 0 IJABMO Cc1cccnc1CNC(=O)C1(Cc2cccc([C@H]3CCC[N@H+](C(C)C)C3)c2)CCOCC1 ZINC000072372272 556941915 /nfs/dbraw/zinc/94/19/15/556941915.db2.gz MHFYPHJFQWWZSC-VWLOTQADSA-N 1 1 449.639 4.634 40 0 IJABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)[nH+]1 ZINC000072372738 556944212 /nfs/dbraw/zinc/94/42/12/556944212.db2.gz KAICQRNUIWSZPZ-FQEVSTJZSA-N 1 1 434.544 4.640 40 0 IJABMO Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)c2c1 ZINC000072372752 556944281 /nfs/dbraw/zinc/94/42/81/556944281.db2.gz QYRVSFRGEBVJEH-OAQYLSRUSA-N 1 1 430.487 4.830 40 0 IJABMO CCc1nnc(Nc2cccc([C@H]3CCC[N@@H+](Cc4c(OC)cccc4OC)C3)n2)s1 ZINC000072376068 556953889 /nfs/dbraw/zinc/95/38/89/556953889.db2.gz QHMOAZLDGSWZRA-INIZCTEOSA-N 1 1 439.585 4.636 40 0 IJABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO ZINC000072376105 556953941 /nfs/dbraw/zinc/95/39/41/556953941.db2.gz HZVABLYHAAVFTC-NRFANRHFSA-N 1 1 432.568 4.799 40 0 IJABMO COCCOc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc1 ZINC000072395572 556967378 /nfs/dbraw/zinc/96/73/78/556967378.db2.gz VOKCYJNVJKQTPQ-LEWJYISDSA-N 1 1 427.495 4.756 40 0 IJABMO COc1cccc2ccc(C[N@H+]3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)nc21 ZINC000072398599 556970354 /nfs/dbraw/zinc/97/03/54/556970354.db2.gz UKJFZHIOZWBICV-RDPSFJRHSA-N 1 1 446.595 4.754 40 0 IJABMO Fc1ccc2nc(C[NH+]3CCN(C/C=C/c4ccc(Br)cc4)CC3)ccc2c1 ZINC000096307085 557196602 /nfs/dbraw/zinc/19/66/02/557196602.db2.gz QMQBZXJOEAWNJD-OWOJBTEDSA-N 1 1 440.360 4.967 40 0 IJABMO Fc1ccc2nc(CN3CC[NH+](C/C=C/c4ccc(Br)cc4)CC3)ccc2c1 ZINC000096307085 557196605 /nfs/dbraw/zinc/19/66/05/557196605.db2.gz QMQBZXJOEAWNJD-OWOJBTEDSA-N 1 1 440.360 4.967 40 0 IJABMO CCCc1cnc(Nc2cc(C)nc(C3CC[NH+](Cc4cnc(CC)nc4)CC3)n2)s1 ZINC000585263511 557203953 /nfs/dbraw/zinc/20/39/53/557203953.db2.gz PFZVQXAWSPMGCB-UHFFFAOYSA-N 1 1 437.617 4.670 40 0 IJABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2[C@@H](c3ccccc3)C[C@]3(C)[C@H]2CCC[C@@H](O)[C@H]3O)CC1 ZINC000585283323 557222762 /nfs/dbraw/zinc/22/27/62/557222762.db2.gz NFWNTLYKJDGYBV-BSAYBIKYSA-N 1 1 429.645 4.681 40 0 IJABMO C[NH+]1CCC(Oc2ccc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)cc2)CC1 ZINC000219411587 557243390 /nfs/dbraw/zinc/24/33/90/557243390.db2.gz LUQVPVHRYSCNRW-UHFFFAOYSA-N 1 1 442.003 4.664 40 0 IJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCC3)cc2c1 ZINC000013500279 557324012 /nfs/dbraw/zinc/32/40/12/557324012.db2.gz ISWOASVLDXGALB-JOCHJYFZSA-N 1 1 436.604 4.720 40 0 IJABMO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216489 557342937 /nfs/dbraw/zinc/34/29/37/557342937.db2.gz UFYVVWLUODGGAV-HSZRJFAPSA-N 1 1 436.600 4.866 40 0 IJABMO O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222596321 557358416 /nfs/dbraw/zinc/35/84/16/557358416.db2.gz DUYUUWXIRXOCIH-KRWDZBQOSA-N 1 1 445.350 4.572 40 0 IJABMO C[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000222716562 557378380 /nfs/dbraw/zinc/37/83/80/557378380.db2.gz NYJJXZBJQDAXRJ-HNNXBMFYSA-N 1 1 449.378 4.854 40 0 IJABMO Cc1ccccc1CCNC(=O)C1(Cc2cccc([C@H]3CCC[N@H+](C)C3)c2)CCOCC1 ZINC000072372274 557388330 /nfs/dbraw/zinc/38/83/30/557388330.db2.gz UUWOBQIFUXWRNU-SANMLTNESA-N 1 1 434.624 4.502 40 0 IJABMO O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000015972866 557468358 /nfs/dbraw/zinc/46/83/58/557468358.db2.gz WAAAXVMBZZKAGF-HZLPDVBGSA-N 1 1 443.934 4.643 40 0 IJABMO CCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225581465 557746591 /nfs/dbraw/zinc/74/65/91/557746591.db2.gz NEGMAKYURJCLTG-UHFFFAOYSA-N 1 1 445.966 4.860 40 0 IJABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@@H+]3Cc3ccc(-c4ccccn4)cc3)n2)cc1F ZINC000015674351 560231093 /nfs/dbraw/zinc/23/10/93/560231093.db2.gz IXIGOWOXIUFZKY-OFNKIYASSA-N 1 1 430.483 4.554 40 0 biogenic,in-vitro IJABMO Cc1ccc(-c2noc([C@@H]3C[C@@H](O)C[N@H+]3Cc3ccc(-c4ccccn4)cc3)n2)cc1F ZINC000015674351 560231095 /nfs/dbraw/zinc/23/10/95/560231095.db2.gz IXIGOWOXIUFZKY-OFNKIYASSA-N 1 1 430.483 4.554 40 0 biogenic,in-vitro IJABMO 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ZINC000257315165 568717631 /nfs/dbraw/zinc/71/76/31/568717631.db2.gz VAEYEDIXEUYPIG-OAQYLSRUSA-N 1 1 439.629 4.510 40 0 IJABMO Cc1ccsc1C[N@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC(C)C)c(C)n2n1 ZINC000257315164 568717718 /nfs/dbraw/zinc/71/77/18/568717718.db2.gz VAEYEDIXEUYPIG-NRFANRHFSA-N 1 1 439.629 4.510 40 0 IJABMO Cc1ccsc1C[N@@H+]1CCC[C@H]1c1cc2nc(C)c(CCC(=O)NC(C)C)c(C)n2n1 ZINC000257315164 568717721 /nfs/dbraw/zinc/71/77/21/568717721.db2.gz VAEYEDIXEUYPIG-NRFANRHFSA-N 1 1 439.629 4.510 40 0 IJABMO Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@H]3Cc4ccccc4C[N@H+]3C)CC2)nc1 ZINC000257325495 568722625 /nfs/dbraw/zinc/72/26/25/568722625.db2.gz WTDPSRKOFUYAAZ-MUUNZHRXSA-N 1 1 439.603 4.744 40 0 IJABMO Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@H]3Cc4ccccc4C[N@@H+]3C)CC2)nc1 ZINC000257325495 568722627 /nfs/dbraw/zinc/72/26/27/568722627.db2.gz WTDPSRKOFUYAAZ-MUUNZHRXSA-N 1 1 439.603 4.744 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000019235959 569226268 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NGWGAQKSIINYJP-HNNXBMFYSA-N 1 1 427.961 4.649 40 0 IJABMO Cc1nc2sccn2c1C[N@H+]1CC[C@H](c2cc(COc3cccc(Cl)c3)n[nH]2)C1 ZINC000019704364 569233259 /nfs/dbraw/zinc/23/32/59/569233259.db2.gz NGWGAQKSIINYJP-HNNXBMFYSA-N 1 1 427.961 4.649 40 0 IJABMO COc1cc(C)ccc1C[N@H+]1CC[C@@](Cc2cc(C3CCCCC3)no2)(C(=O)N(C)C)C1 ZINC000019739229 569236539 /nfs/dbraw/zinc/23/65/39/569236539.db2.gz LFQMXPDQTYLCFV-SANMLTNESA-N 1 1 439.600 4.562 40 0 IJABMO CCn1cc(C[N@H+]2CCC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c2ccc(F)cc21 ZINC000019762975 569237919 /nfs/dbraw/zinc/23/79/19/569237919.db2.gz XKNDSFIABMYRCR-IBGZPJMESA-N 1 1 449.574 4.514 40 0 IJABMO COc1ccccc1NC(=O)c1cnc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)nc1C ZINC000019766096 569239177 /nfs/dbraw/zinc/23/91/77/569239177.db2.gz JLDARVOCRIIFQW-GOSISDBHSA-N 1 1 436.943 4.689 40 0 IJABMO COc1ccc(CSCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020237876 569241036 /nfs/dbraw/zinc/24/10/36/569241036.db2.gz BGGONOYZXXSPJE-UHFFFAOYSA-N 1 1 446.616 4.862 40 0 IJABMO CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(OC)c1 ZINC000044856775 569249249 /nfs/dbraw/zinc/24/92/49/569249249.db2.gz UTHOPGUKPIFXRX-FPOVZHCZSA-N 1 1 430.976 4.837 40 0 IJABMO CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000009480012 569296674 /nfs/dbraw/zinc/29/66/74/569296674.db2.gz UBAWOGNUVBMMFA-LMKMVOKYSA-N 1 1 441.572 4.582 40 0 IJABMO COc1ccc(-c2[nH]c3ncccc3c2C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000012144238 523073037 /nfs/dbraw/zinc/07/30/37/523073037.db2.gz KTMKRRQQOZHEBX-UHFFFAOYSA-N 1 1 429.520 4.814 40 0 IJABMO COc1ccc([C@@H]2c3cc4c(cc3O[C@]3([NH+]5CCCC5)CCCC[C@H]23)OCO4)c(OC)c1 ZINC000005554751 556059004 /nfs/dbraw/zinc/05/90/04/556059004.db2.gz NOXRJBMKQNUDGB-LIKDZFNVSA-N 1 1 437.536 4.939 40 0 IJABMO CC[C@@H](Oc1ccccc1OC)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408682272 556082245 /nfs/dbraw/zinc/08/22/45/556082245.db2.gz WDSGCEUXFCQWQS-XMMPIXPASA-N 1 1 444.575 4.786 40 0 IJABMO O[C@@H](c1ccccn1)c1cccc(F)c1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000012089683 556402023 /nfs/dbraw/zinc/40/20/23/556402023.db2.gz JHLLTRZZJVJEHS-HSZRJFAPSA-N 1 1 445.460 4.643 40 0 IJABMO O=C(NCCSCc1c(F)cccc1Cl)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038853336 556625327 /nfs/dbraw/zinc/62/53/27/556625327.db2.gz MILDUQJUPZVTOR-KRWDZBQOSA-N 1 1 438.971 4.880 40 0 IJABMO COc1cccc2ccc(C[N@H+]3CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)nc21 ZINC000019081899 556696866 /nfs/dbraw/zinc/69/68/66/556696866.db2.gz UKJFZHIOZWBICV-GBXCKJPGSA-N 1 1 446.595 4.754 40 0 IJABMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257229298 556708986 /nfs/dbraw/zinc/70/89/86/556708986.db2.gz FXNWDTIDERCVJW-OAQYLSRUSA-N 1 1 438.587 4.823 40 0 IJABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000257235928 556710076 /nfs/dbraw/zinc/71/00/76/556710076.db2.gz HACKTNOVTDPUSH-BDYUSTAISA-N 1 1 430.548 4.619 40 0 IJABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000257235928 556710078 /nfs/dbraw/zinc/71/00/78/556710078.db2.gz HACKTNOVTDPUSH-BDYUSTAISA-N 1 1 430.548 4.619 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257265579 556713058 /nfs/dbraw/zinc/71/30/58/556713058.db2.gz LZGLTRMDKCVYIZ-NRFANRHFSA-N 1 1 432.543 4.793 40 0 IJABMO Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)c1 ZINC000019234415 556718550 /nfs/dbraw/zinc/71/85/50/556718550.db2.gz PNYBYOVMVHVBMY-QHCPKHFHSA-N 1 1 434.584 4.549 40 0 IJABMO Fc1ccc(-c2cnc3c(c2)[C@@H]([NH2+]CC2CC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000019336732 556738489 /nfs/dbraw/zinc/73/84/89/556738489.db2.gz JZLATRPXUNVOGN-NRFANRHFSA-N 1 1 430.512 4.552 40 0 IJABMO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccccc1OCc1cccc(F)c1)C2 ZINC000019349378 556744307 /nfs/dbraw/zinc/74/43/07/556744307.db2.gz CZJFIXLLFJXHRI-UHFFFAOYSA-N 1 1 442.494 4.521 40 0 IJABMO O=c1[nH]c(-c2ccncc2)nc2c1CC[N@H+](Cc1ccccc1OCc1cccc(F)c1)C2 ZINC000019349378 556744311 /nfs/dbraw/zinc/74/43/11/556744311.db2.gz CZJFIXLLFJXHRI-UHFFFAOYSA-N 1 1 442.494 4.521 40 0 IJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)cc2c1 ZINC000000926765 556753356 /nfs/dbraw/zinc/75/33/56/556753356.db2.gz OJHKREQTVZDISG-UHFFFAOYSA-N 1 1 448.615 4.972 40 0 IJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)cc2c1 ZINC000000926765 556753358 /nfs/dbraw/zinc/75/33/58/556753358.db2.gz OJHKREQTVZDISG-UHFFFAOYSA-N 1 1 448.615 4.972 40 0 IJABMO CC(C)c1ncc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cn1 ZINC000019454024 556764354 /nfs/dbraw/zinc/76/43/54/556764354.db2.gz SBPCIEMDMYDHMB-MHZLTWQESA-N 1 1 428.580 4.577 40 0 IJABMO CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)n3ccsc23)C1 ZINC000019454364 556764652 /nfs/dbraw/zinc/76/46/52/556764652.db2.gz POCNBKPBKJCZFC-GOSISDBHSA-N 1 1 448.596 4.866 40 0 IJABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3cncn3CC)C2)c2sccn12 ZINC000019523109 556780518 /nfs/dbraw/zinc/78/05/18/556780518.db2.gz AUFXTOPGJDIQAK-GOSISDBHSA-N 1 1 448.596 4.938 40 0 IJABMO CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002309499 556799646 /nfs/dbraw/zinc/79/96/46/556799646.db2.gz ZTWPZFHRGYWZSE-ZYXJOJAPSA-N 1 1 429.536 4.711 40 0 IJABMO Cc1n[nH]cc1C(=O)N1CCC[C@H](c2[nH+]c(Nc3ccccc3)n3c(C)c(C)sc23)C1 ZINC000019582386 556820210 /nfs/dbraw/zinc/82/02/10/556820210.db2.gz APTMCKMPHUWAAH-KRWDZBQOSA-N 1 1 434.569 4.808 40 0 IJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000008582667 556842349 /nfs/dbraw/zinc/84/23/49/556842349.db2.gz CUPFEVITWBPIFQ-UHFFFAOYSA-N 1 1 434.588 4.581 40 0 IJABMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1 ZINC000008582667 556842351 /nfs/dbraw/zinc/84/23/51/556842351.db2.gz CUPFEVITWBPIFQ-UHFFFAOYSA-N 1 1 434.588 4.581 40 0 IJABMO O=C(NCCSc1ccccc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408826312 556866511 /nfs/dbraw/zinc/86/65/11/556866511.db2.gz GEFKRDIDSMAEBW-UHFFFAOYSA-N 1 1 445.632 4.527 40 0 IJABMO Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCC[N@@H+](Cc5ccccc5F)C4)ccc23)n1 ZINC000019742575 556886843 /nfs/dbraw/zinc/88/68/43/556886843.db2.gz UEFJHELKWRXETO-LJQANCHMSA-N 1 1 430.531 4.792 40 0 IJABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCC[N@H+](Cc5ccccc5F)C4)ccc32)n1 ZINC000019742575 556886846 /nfs/dbraw/zinc/88/68/46/556886846.db2.gz UEFJHELKWRXETO-LJQANCHMSA-N 1 1 430.531 4.792 40 0 IJABMO Cc1cccc(CNc2[nH]nc3nc([C@@H]4CCC[N@@H+](Cc5ccccc5F)C4)ccc32)n1 ZINC000019742575 556886848 /nfs/dbraw/zinc/88/68/48/556886848.db2.gz UEFJHELKWRXETO-LJQANCHMSA-N 1 1 430.531 4.792 40 0 IJABMO CCn1c(C[N@H+]2CC[C@@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)nc2ccccc21 ZINC000072352667 556925222 /nfs/dbraw/zinc/92/52/22/556925222.db2.gz LZJODAYGHOXZCG-LJQANCHMSA-N 1 1 441.579 4.732 40 0 IJABMO Cc1cccnc1CNC(=O)C1(Cc2cccc([C@@H]3CCC[N@H+](C(C)C)C3)c2)CCOCC1 ZINC000072372271 556941852 /nfs/dbraw/zinc/94/18/52/556941852.db2.gz MHFYPHJFQWWZSC-RUZDIDTESA-N 1 1 449.639 4.634 40 0 IJABMO CCc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1cc(Nc2nccs2)cc(C)[nH+]1 ZINC000072372573 556943188 /nfs/dbraw/zinc/94/31/88/556943188.db2.gz NSPVQOZASHREBY-NRFANRHFSA-N 1 1 446.580 4.866 40 0 IJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1cccc(Nc3ncc(C)s3)n1)OCCO2 ZINC000072375796 556952942 /nfs/dbraw/zinc/95/29/42/556952942.db2.gz DKJHEBIRVAVNKI-GOSISDBHSA-N 1 1 438.553 4.707 40 0 IJABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccc(Nc3ncc(C)s3)n1)OCCO2 ZINC000072375796 556952946 /nfs/dbraw/zinc/95/29/46/556952946.db2.gz DKJHEBIRVAVNKI-GOSISDBHSA-N 1 1 438.553 4.707 40 0 IJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(Nc3nc(C)cs3)n1)OCCO2 ZINC000072375793 556953097 /nfs/dbraw/zinc/95/30/97/556953097.db2.gz VCSCOHZWEZWJOK-SFHVURJKSA-N 1 1 438.553 4.707 40 0 IJABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccc(Nc3nc(C)cs3)n1)OCCO2 ZINC000072375793 556953100 /nfs/dbraw/zinc/95/31/00/556953100.db2.gz VCSCOHZWEZWJOK-SFHVURJKSA-N 1 1 438.553 4.707 40 0 IJABMO 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CCCC(=O)N1c2ccc([C@H](O)C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C)cc2C[C@H]1C ZINC000019501711 557500071 /nfs/dbraw/zinc/50/00/71/557500071.db2.gz FJCOTXVZSZJLSV-FUMQJTLXSA-N 1 1 431.580 4.898 40 0 IJABMO CCCC(=O)N1c2ccc([C@H](O)C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C)cc2C[C@H]1C ZINC000019501711 557500074 /nfs/dbraw/zinc/50/00/74/557500074.db2.gz FJCOTXVZSZJLSV-FUMQJTLXSA-N 1 1 431.580 4.898 40 0 IJABMO O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000224758284 557648418 /nfs/dbraw/zinc/64/84/18/557648418.db2.gz DOCLGHSXSDQKJG-UHFFFAOYSA-N 1 1 439.603 4.771 40 0 IJABMO O=C(c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000225268165 557707091 /nfs/dbraw/zinc/70/70/91/557707091.db2.gz WSYOVEGHPGVJEK-UHFFFAOYSA-N 1 1 430.939 4.841 40 0 IJABMO COc1ccc(OC)c([C@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000225428080 557722131 /nfs/dbraw/zinc/72/21/31/557722131.db2.gz UZEHKDVRPZFVPJ-HNNXBMFYSA-N 1 1 434.939 4.586 40 0 IJABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccccc2Cl)CCCC1 ZINC000225526594 557736380 /nfs/dbraw/zinc/73/63/80/557736380.db2.gz ZQFUSQOERFBCFK-UHFFFAOYSA-N 1 1 442.987 4.892 40 0 IJABMO C[C@H]1Cc2ccccc2N1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588200 557748211 /nfs/dbraw/zinc/74/82/11/557748211.db2.gz LTOVLGRYMKSISH-SFHVURJKSA-N 1 1 443.994 4.649 40 0 IJABMO CC(C)CSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)s1 ZINC000225590845 557748672 /nfs/dbraw/zinc/74/86/72/557748672.db2.gz MOIQMSHSUMSASW-UHFFFAOYSA-N 1 1 443.013 4.929 40 0 IJABMO CC(C)CSc1nnc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)s1 ZINC000225618479 557753086 /nfs/dbraw/zinc/75/30/86/557753086.db2.gz SMIDCXAVGYZWOO-UHFFFAOYSA-N 1 1 443.013 4.929 40 0 IJABMO Cc1nc(-c2cccnc2)sc1C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000225859596 557786143 /nfs/dbraw/zinc/78/61/43/557786143.db2.gz FRTYXKILMKTFBX-UHFFFAOYSA-N 1 1 437.956 4.947 40 0 IJABMO CCOC(=O)C1(c2ccc(NC(=O)[C@H]3CCC[N@@H+](Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC000225904670 557790054 /nfs/dbraw/zinc/79/00/54/557790054.db2.gz XNTSWQYGCFPWML-IBGZPJMESA-N 1 1 440.971 4.785 40 0 IJABMO CCOCc1ccc(C(=O)N2CCO[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)cc1 ZINC000257206921 568668207 /nfs/dbraw/zinc/66/82/07/568668207.db2.gz BFMIEINJXIYPQF-XMMPIXPASA-N 1 1 446.551 4.587 40 0 IJABMO CC(C)[C@@H]1C[C@@]2(CCC[N@@H+]2Cc2ccc(S(C)(=O)=O)cc2)CO[C@H]1c1ccc(F)cc1 ZINC000257228790 568678426 /nfs/dbraw/zinc/67/84/26/568678426.db2.gz FVFVOYJQGITHRH-SDHOMARFSA-N 1 1 445.600 4.998 40 0 IJABMO CC(C)[C@@H]1C[C@@]2(CCC[N@H+]2Cc2ccc(S(C)(=O)=O)cc2)CO[C@H]1c1ccc(F)cc1 ZINC000257228790 568678430 /nfs/dbraw/zinc/67/84/30/568678430.db2.gz FVFVOYJQGITHRH-SDHOMARFSA-N 1 1 445.600 4.998 40 0 IJABMO O=C(C[NH+]1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1)N1CCCc2ccccc21 ZINC000257281811 568703095 /nfs/dbraw/zinc/70/30/95/568703095.db2.gz ORCHSUPGOLRMGO-UHFFFAOYSA-N 1 1 443.566 4.970 40 0 IJABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)c2)n1 ZINC000257315712 568717922 /nfs/dbraw/zinc/71/79/22/568717922.db2.gz VCMWIQSLMPLDFT-QFIPXVFZSA-N 1 1 447.564 4.522 40 0 IJABMO Cc1c(F)cccc1NC(=O)[C@H](C)[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257338396 568727985 /nfs/dbraw/zinc/72/79/85/568727985.db2.gz YXFARAQRNAOGLL-SFHVURJKSA-N 1 1 433.531 4.874 40 0 IJABMO O=C(c1cnc2cc(Cl)ccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198793 568921630 /nfs/dbraw/zinc/92/16/30/568921630.db2.gz IKNIRVYOYACPMV-QOKUDNMUSA-N 1 1 437.971 4.629 40 0 IJABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000019455648 569226587 /nfs/dbraw/zinc/22/65/87/569226587.db2.gz IMLRRYFTIZEGKX-SKCUWOTOSA-N 1 1 442.607 4.708 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)c1 ZINC000019565031 569227104 /nfs/dbraw/zinc/22/71/04/569227104.db2.gz BVIJHVMBGZKGKJ-PXDATVDWSA-N 1 1 433.527 4.613 40 0 IJABMO COCCNC(=O)c1sc2ncccc2c1[C@@H]1CC[N@@H+](C/C(C)=C/c2ccccc2)C1 ZINC000019702139 569231843 /nfs/dbraw/zinc/23/18/43/569231843.db2.gz JLXLZPABCYCXJY-PHKMIBKXSA-N 1 1 435.593 4.565 40 0 IJABMO COCc1ccc(OC)c(C[N@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)c1 ZINC000019704373 569233325 /nfs/dbraw/zinc/23/33/25/569233325.db2.gz PMQLKCSBIXSVRG-GOSISDBHSA-N 1 1 441.959 4.787 40 0 IJABMO COCc1ccc(OC)c(C[N@@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)c1 ZINC000019704373 569233326 /nfs/dbraw/zinc/23/33/26/569233326.db2.gz PMQLKCSBIXSVRG-GOSISDBHSA-N 1 1 441.959 4.787 40 0 IJABMO COCc1ccc(OC)c(C[N@H+]2CC[C@@H](c3cc(COc4cccc(Cl)c4)n[nH]3)C2)c1 ZINC000019704373 569233327 /nfs/dbraw/zinc/23/33/27/569233327.db2.gz PMQLKCSBIXSVRG-GOSISDBHSA-N 1 1 441.959 4.787 40 0 IJABMO CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCN(c4ccccc4OC)CC3)cc2)cc1 ZINC000020241871 569241314 /nfs/dbraw/zinc/24/13/14/569241314.db2.gz KGZVFCGVFGVZJJ-UHFFFAOYSA-N 1 1 445.563 4.668 40 0 IJABMO O=C1CCC[C@@H]2[C@H](C[C@@H](c3ccccc3F)[N@@H+]2Cc2ccc(OCc3ccccn3)cc2)N1 ZINC000019711739 569327447 /nfs/dbraw/zinc/32/74/47/569327447.db2.gz PBFLLKHXMOLEAW-NXCFDTQHSA-N 1 1 445.538 4.784 40 0 IJABMO COc1ccc(C[C@@H]2C[C@@H]3NC(=O)CCCC[C@H]3[N@H+]2Cc2cc3cccc(OC)c3o2)cc1 ZINC000019713906 569327775 /nfs/dbraw/zinc/32/77/75/569327775.db2.gz ZMRTXZCNHXWTTC-FGCOXFRFSA-N 1 1 448.563 4.694 40 0 IJABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)CC2 ZINC000328974310 569582945 /nfs/dbraw/zinc/58/29/45/569582945.db2.gz FFMALDGREVXPBC-UHFFFAOYSA-N 1 1 440.469 5.427 40 0 IJABMO CC[NH+]1CCN(c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000006241866 132276897 /nfs/dbraw/zinc/27/68/97/132276897.db2.gz JKFLBIXUGNGUNR-UHFFFAOYSA-N 1 1 429.992 4.797 40 0 IJABMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@H]([C@@H](NC(C)=O)c4nccs4)C3)c2)cc1 ZINC000012157700 523138948 /nfs/dbraw/zinc/13/89/48/523138948.db2.gz RBYHDNJXBCXYID-LADGPHEKSA-N 1 1 435.593 4.908 40 0 IJABMO COc1ccc(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1OC ZINC000012113172 523977928 /nfs/dbraw/zinc/97/79/28/523977928.db2.gz MFFBDBNJEMASCK-CLJLJLNGSA-N 1 1 430.592 4.894 40 0 IJABMO C[NH+]1CCN(C(=S)c2ccc(OCc3ccccc3Cl)c(Br)c2)CC1 ZINC000408575932 555926585 /nfs/dbraw/zinc/92/65/85/555926585.db2.gz OWJUVJVTTOWBBN-UHFFFAOYSA-N 1 1 439.806 4.604 40 0 IJABMO COc1ccc([C@@H]2c3cc4c(cc3O[C@@]3([NH+]5CCCC5)CCCC[C@H]23)OCO4)c(OC)c1 ZINC000005554748 556059121 /nfs/dbraw/zinc/05/91/21/556059121.db2.gz NOXRJBMKQNUDGB-VANUSSGQSA-N 1 1 437.536 4.939 40 0 IJABMO CCCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039771976 556437438 /nfs/dbraw/zinc/43/74/38/556437438.db2.gz FWASEROHCUYZHP-UHFFFAOYSA-N 1 1 445.966 4.860 40 0 IJABMO C[C@H](CCc1ccccc1)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000030943825 556516917 /nfs/dbraw/zinc/51/69/17/556516917.db2.gz LHOSOUGOSXVPNS-GOSISDBHSA-N 1 1 429.402 4.799 40 0 IJABMO CCOC(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c(C)c1 ZINC000013674145 556553611 /nfs/dbraw/zinc/55/36/11/556553611.db2.gz XNEGFOXOYAYIET-UHFFFAOYSA-N 1 1 428.532 4.982 40 0 IJABMO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000038851871 556625098 /nfs/dbraw/zinc/62/50/98/556625098.db2.gz DVKMNIOROLEXLC-UHFFFAOYSA-N 1 1 435.351 4.939 40 0 IJABMO COc1cccc(-c2ccc3c(c2)O[C@H]2C[N@@H+](CCCc4ccccc4)C[C@H]2N(C)C3=O)c1 ZINC000514290206 556626090 /nfs/dbraw/zinc/62/60/90/556626090.db2.gz VTANEDZDTSWHJX-VPUSJEBWSA-N 1 1 442.559 4.512 40 0 biogenic,in-vitro IJABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1C ZINC000038858186 556626077 /nfs/dbraw/zinc/62/60/77/556626077.db2.gz XOSSDEXIYGUGQK-UHFFFAOYSA-N 1 1 435.351 4.939 40 0 IJABMO CCOC(=O)c1c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000044787078 556667622 /nfs/dbraw/zinc/66/76/22/556667622.db2.gz JOECXCRWQUUTGX-KRWDZBQOSA-N 1 1 444.572 4.793 40 0 IJABMO CC[C@@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(OC)c(OC)c1 ZINC000044856846 556672629 /nfs/dbraw/zinc/67/26/29/556672629.db2.gz KLFDLRGMHZMKLF-OAQYLSRUSA-N 1 1 448.966 4.976 40 0 IJABMO CC(C)(C)C(=O)N[C@H](C[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1 ZINC000019081734 556696412 /nfs/dbraw/zinc/69/64/12/556696412.db2.gz WKRLUOBMVGYSDK-IFMALSPDSA-N 1 1 437.584 4.501 40 0 IJABMO c1cnc(Oc2cccc(C[N@@H+]3CCOC[C@H](Cc4cncc5ccccc54)C3)c2)nc1 ZINC000257313074 556703514 /nfs/dbraw/zinc/70/35/14/556703514.db2.gz UQXXRWHOLGVZQG-OAQYLSRUSA-N 1 1 426.520 4.508 40 0 IJABMO Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)cc1 ZINC000019135406 556705802 /nfs/dbraw/zinc/70/58/02/556705802.db2.gz WNSKIRZZVVQTRJ-QHCPKHFHSA-N 1 1 434.584 4.549 40 0 IJABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(OCc5cccc(F)c5)cc4)C[C@H]32)nc1 ZINC000019216006 556711880 /nfs/dbraw/zinc/71/18/80/556711880.db2.gz WPAACODGCLVNHE-RWUBSVTLSA-N 1 1 432.539 4.838 40 0 IJABMO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000257279823 556714928 /nfs/dbraw/zinc/71/49/28/556714928.db2.gz OIIUXCJYDVHNPJ-JYFHCDHNSA-N 1 1 434.605 4.635 40 0 IJABMO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 ZINC000257279823 556714931 /nfs/dbraw/zinc/71/49/31/556714931.db2.gz OIIUXCJYDVHNPJ-JYFHCDHNSA-N 1 1 434.605 4.635 40 0 IJABMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002215571 556759581 /nfs/dbraw/zinc/75/95/81/556759581.db2.gz FNXDNSGHGPRESQ-LMKMVOKYSA-N 1 1 441.572 4.582 40 0 IJABMO COc1cccc(C[N@H+]2CC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)c1 ZINC000019449542 556760448 /nfs/dbraw/zinc/76/04/48/556760448.db2.gz AOHUGMJVHLGTQE-NDEPHWFRSA-N 1 1 443.591 4.717 40 0 IJABMO CCc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000019522063 556779180 /nfs/dbraw/zinc/77/91/80/556779180.db2.gz ZRYNIMLJMTZQMR-UHFFFAOYSA-N 1 1 449.477 4.530 40 0 IJABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3c[nH]nc3C)C2)c2sccn12 ZINC000019523094 556780448 /nfs/dbraw/zinc/78/04/48/556780448.db2.gz ZAQJZUKLKLQSQI-KRWDZBQOSA-N 1 1 434.569 4.753 40 0 IJABMO Cc1cc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc(C)c1O ZINC000072330510 556906295 /nfs/dbraw/zinc/90/62/95/556906295.db2.gz 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Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)ncc1C(=O)N1CCCCC1 ZINC000019763351 569238014 /nfs/dbraw/zinc/23/80/14/569238014.db2.gz ZAGZVZIJUGTULT-OAQYLSRUSA-N 1 1 448.611 4.504 40 0 IJABMO Brc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NC3CCCCC3)n1)C2 ZINC000328997281 569582749 /nfs/dbraw/zinc/58/27/49/569582749.db2.gz JNPBICHIPQULEQ-UHFFFAOYSA-N 1 1 427.390 5.424 40 0 IJABMO FC(F)(F)Oc1ccc2c(c1)CN(c1cc(C3CC3)[nH+]c(NC3CCCCC3)n1)CC2 ZINC000328971672 569582965 /nfs/dbraw/zinc/58/29/65/569582965.db2.gz DSADVCQBAWNYEZ-UHFFFAOYSA-N 1 1 432.490 5.560 40 0 IJABMO CC(=O)N1CCC([NH2+]C[C@@H]2C=C(C)[C@H](Cc3nc4ccc(C)cc4[nH]3)C[C@H]2C(C)C)CC1 ZINC000072320852 291387023 /nfs/dbraw/zinc/38/70/23/291387023.db2.gz YNNAGCDCGSQFBW-FIXSFTCYSA-N 1 1 436.644 4.869 40 0 biogenic,in-vitro IJABMO COc1cc(OC)c(OC)cc1CN1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000022804312 522819309 /nfs/dbraw/zinc/81/93/09/522819309.db2.gz AJQSMGQBBWLHPM-UHFFFAOYSA-N 1 1 448.563 4.823 40 0 IJABMO COc1ccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CC[NH+](C)CC2)cc1 ZINC000022870940 525211726 /nfs/dbraw/zinc/21/17/26/525211726.db2.gz BBAJRFXAJHAPJE-SANMLTNESA-N 1 1 427.548 4.891 40 0 IJABMO CCOC(C(=O)N(C)CC[N@@H+](C)CCc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000001698104 555709904 /nfs/dbraw/zinc/70/99/04/555709904.db2.gz NQIZDFMZAXUZCZ-UHFFFAOYSA-N 1 1 430.592 4.600 40 0 in-man IJABMO Cc1nc(SCC(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)oc1C ZINC000012088153 556401263 /nfs/dbraw/zinc/40/12/63/556401263.db2.gz LFKBGWHGQWGOEI-KRWDZBQOSA-N 1 1 441.601 4.648 40 0 IJABMO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039750964 556438464 /nfs/dbraw/zinc/43/84/64/556438464.db2.gz IRGYYXZECOCDQB-INIZCTEOSA-N 1 1 445.966 4.858 40 0 IJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)cc2Cl)CC1 ZINC000016681570 556624108 /nfs/dbraw/zinc/62/41/08/556624108.db2.gz UKOXDBITKLXTMY-UHFFFAOYSA-N 1 1 445.032 4.732 40 0 IJABMO COC(=O)c1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)sc2c1CCCC2 ZINC000038857900 556626052 /nfs/dbraw/zinc/62/60/52/556626052.db2.gz ZHHZBSARJPISAO-MRXNPFEDSA-N 1 1 447.000 4.918 40 0 IJABMO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000044852893 556671133 /nfs/dbraw/zinc/67/11/33/556671133.db2.gz KYXCKCLVKPMJCS-SFHVURJKSA-N 1 1 445.401 4.553 40 0 IJABMO Cc1ccccc1OC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044852585 556671143 /nfs/dbraw/zinc/67/11/43/556671143.db2.gz NVCCDUDMAFTNRW-SFHVURJKSA-N 1 1 445.401 4.553 40 0 IJABMO Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)cc1 ZINC000019135402 556705827 /nfs/dbraw/zinc/70/58/27/556705827.db2.gz WNSKIRZZVVQTRJ-HSZRJFAPSA-N 1 1 434.584 4.549 40 0 IJABMO Cc1nc2c(c(N(Cc3ccccc3)C[C@@H]3CCCO3)n1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286160 556727698 /nfs/dbraw/zinc/72/76/98/556727698.db2.gz OBYPABUZMDDDKM-DEOSSOPVSA-N 1 1 428.580 4.529 40 0 IJABMO Cc1nc2c(c(N(Cc3ccccc3)C[C@@H]3CCCO3)n1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286160 556727702 /nfs/dbraw/zinc/72/77/02/556727702.db2.gz OBYPABUZMDDDKM-DEOSSOPVSA-N 1 1 428.580 4.529 40 0 IJABMO Fc1ccc(-c2cnc3c(c2)[C@H]([NH2+]CC2CC2)n2nc(-c4ccncc4)nc2S3)cc1 ZINC000019336727 556738560 /nfs/dbraw/zinc/73/85/60/556738560.db2.gz JZLATRPXUNVOGN-OAQYLSRUSA-N 1 1 430.512 4.552 40 0 IJABMO O=C(NCc1ccccn1)c1cc(C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)no1 ZINC000019401932 556753911 /nfs/dbraw/zinc/75/39/11/556753911.db2.gz WQDKNCZJUKBILR-UHFFFAOYSA-N 1 1 445.350 4.686 40 0 IJABMO CC(C)c1[nH+]ccn1CC(=O)N1CCC[C@H](c2nc(Nc3ccccc3)n3ccsc23)C1 ZINC000019454366 556764642 /nfs/dbraw/zinc/76/46/42/556764642.db2.gz POCNBKPBKJCZFC-SFHVURJKSA-N 1 1 448.596 4.866 40 0 IJABMO C[C@@H](C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459246 556766785 /nfs/dbraw/zinc/76/67/85/556766785.db2.gz CZQAOFSERGHJRE-DVECYGJZSA-N 1 1 448.611 4.588 40 0 IJABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000019500910 556772742 /nfs/dbraw/zinc/77/27/42/556772742.db2.gz MRAVUJGLEKUTNH-MBOZVWFJSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000019500910 556772744 /nfs/dbraw/zinc/77/27/44/556772744.db2.gz MRAVUJGLEKUTNH-MBOZVWFJSA-N 1 1 449.521 4.626 40 0 IJABMO CCOc1cc(C[N@H+]2CC[C@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)ccc1OC ZINC000019522418 556779661 /nfs/dbraw/zinc/77/96/61/556779661.db2.gz QZKBBFPVPLEEMK-INIZCTEOSA-N 1 1 448.489 4.707 40 0 IJABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019568943 556809215 /nfs/dbraw/zinc/80/92/15/556809215.db2.gz XJPMIMWIIYHBCB-NBGIEHNGSA-N 1 1 433.527 4.613 40 0 IJABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCCCCC3)cc12 ZINC000006322086 556833239 /nfs/dbraw/zinc/83/32/39/556833239.db2.gz ZHSWVNJUGWELPQ-QHCPKHFHSA-N 1 1 434.588 4.602 40 0 IJABMO Cc1nc(C[N@H+](C)C[C@@H]2CC=CCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698417 556856789 /nfs/dbraw/zinc/85/67/89/556856789.db2.gz PYELUKDAANUFKJ-HXUWFJFHSA-N 1 1 443.595 4.576 40 0 IJABMO Cc1nc(C[N@@H+](C)C[C@@H]2CC=CCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698417 556856794 /nfs/dbraw/zinc/85/67/94/556856794.db2.gz PYELUKDAANUFKJ-HXUWFJFHSA-N 1 1 443.595 4.576 40 0 IJABMO Cc1nc([C@H]2CCC[N@H+]2Cc2cnc(C(C)C)nc2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711142 556875078 /nfs/dbraw/zinc/87/50/78/556875078.db2.gz COWRMVBGEGZUEX-XMMPIXPASA-N 1 1 447.558 4.710 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+]2Cc2cnc(C(C)C)nc2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711142 556875081 /nfs/dbraw/zinc/87/50/81/556875081.db2.gz COWRMVBGEGZUEX-XMMPIXPASA-N 1 1 447.558 4.710 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1cccs1 ZINC000072330417 556905535 /nfs/dbraw/zinc/90/55/35/556905535.db2.gz BDSNDCCWSDDRFK-JTSKRJEESA-N 1 1 427.520 4.805 40 0 IJABMO Cn1c(C[N@@H+]2CCC[C@@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)nc2ccccc21 ZINC000072330451 556905936 /nfs/dbraw/zinc/90/59/36/556905936.db2.gz NODOXBUYCGKNKP-ZBLYBZFDSA-N 1 1 445.611 4.618 40 0 IJABMO Cn1c(C[N@H+]2CCC[C@@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)nc2ccccc21 ZINC000072330451 556905941 /nfs/dbraw/zinc/90/59/41/556905941.db2.gz NODOXBUYCGKNKP-ZBLYBZFDSA-N 1 1 445.611 4.618 40 0 IJABMO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072330547 556906292 /nfs/dbraw/zinc/90/62/92/556906292.db2.gz WIKNMOMOZXXNER-HOFKKMOUSA-N 1 1 431.555 4.923 40 0 IJABMO CCCc1ccc(C[NH+]2CCN(c3c(F)cccc3[C@H](O)c3ccccn3)CC2)s1 ZINC000072340719 556912532 /nfs/dbraw/zinc/91/25/32/556912532.db2.gz SLORFUCQBMETHG-DEOSSOPVSA-N 1 1 425.573 4.639 40 0 IJABMO COc1cc(C)c(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1OC ZINC000072340885 556912934 /nfs/dbraw/zinc/91/29/34/556912934.db2.gz HKJMJZCUUAACDS-MRXNPFEDSA-N 1 1 448.489 4.762 40 0 IJABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCC[N@@H+](Cc3ccc4nccnc4c3)C2)n1 ZINC000072346151 556917538 /nfs/dbraw/zinc/91/75/38/556917538.db2.gz WYGYFVQYZPMYJL-SFHVURJKSA-N 1 1 430.943 4.702 40 0 IJABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352283 556923705 /nfs/dbraw/zinc/92/37/05/556923705.db2.gz DUZRUHRMIIGUGH-INIZCTEOSA-N 1 1 433.577 4.751 40 0 IJABMO CCn1c(C[N@H+]2CC[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)C2)nc2ccccc21 ZINC000072352666 556925189 /nfs/dbraw/zinc/92/51/89/556925189.db2.gz LZJODAYGHOXZCG-IBGZPJMESA-N 1 1 441.579 4.732 40 0 IJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccc(Nc3cccc(C)n3)cn1)OCCO2 ZINC000072353194 556925881 /nfs/dbraw/zinc/92/58/81/556925881.db2.gz HDVLHJGCMPRERQ-NRFANRHFSA-N 1 1 432.524 4.646 40 0 IJABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc(Nc3cccc(C)n3)cn1)OCCO2 ZINC000072353194 556925886 /nfs/dbraw/zinc/92/58/86/556925886.db2.gz HDVLHJGCMPRERQ-NRFANRHFSA-N 1 1 432.524 4.646 40 0 IJABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1cnn2c1nc(C)cc2C ZINC000072370487 556935101 /nfs/dbraw/zinc/93/51/01/556935101.db2.gz RYWDFDXXXCXPTG-LJQANCHMSA-N 1 1 447.608 4.518 40 0 IJABMO CCn1cc(C[N@H+]2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)c(C)n1 ZINC000072371597 556939706 /nfs/dbraw/zinc/93/97/06/556939706.db2.gz PZTPFGUUIPTLNK-KRWDZBQOSA-N 1 1 447.505 4.564 40 0 IJABMO CCn1cc(C[N@@H+]2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)c(C)n1 ZINC000072371597 556939708 /nfs/dbraw/zinc/93/97/08/556939708.db2.gz PZTPFGUUIPTLNK-KRWDZBQOSA-N 1 1 447.505 4.564 40 0 IJABMO CCn1cc(C[N@H+]2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)c(C)n1 ZINC000072371597 556939711 /nfs/dbraw/zinc/93/97/11/556939711.db2.gz PZTPFGUUIPTLNK-KRWDZBQOSA-N 1 1 447.505 4.564 40 0 IJABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3ccc4c(NCc5cccc(C)n5)n[nH]c4n3)C2)c1 ZINC000072374474 556948152 /nfs/dbraw/zinc/94/81/52/556948152.db2.gz RDVNDHTWTGNUGP-OAQYLSRUSA-N 1 1 426.568 4.961 40 0 IJABMO Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccc4c(n[nH]c4NCc4cccc(C)n4)n3)C2)c1 ZINC000072374474 556948155 /nfs/dbraw/zinc/94/81/55/556948155.db2.gz RDVNDHTWTGNUGP-OAQYLSRUSA-N 1 1 426.568 4.961 40 0 IJABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3ccc4c(n[nH]c4NCc4cccc(C)n4)n3)C2)c1 ZINC000072374474 556948158 /nfs/dbraw/zinc/94/81/58/556948158.db2.gz RDVNDHTWTGNUGP-OAQYLSRUSA-N 1 1 426.568 4.961 40 0 IJABMO CN(C)c1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072376859 556955520 /nfs/dbraw/zinc/95/55/20/556955520.db2.gz FRHXENJTUWQKPX-FQEVSTJZSA-N 1 1 427.474 4.961 40 0 IJABMO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100411 557034074 /nfs/dbraw/zinc/03/40/74/557034074.db2.gz RGVFQYUHCKFYKK-XMMPIXPASA-N 1 1 434.477 4.833 40 0 IJABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057584833 557249957 /nfs/dbraw/zinc/24/99/57/557249957.db2.gz CWESYDXAGZOGIO-HSZRJFAPSA-N 1 1 434.588 4.682 40 0 IJABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057584833 557249962 /nfs/dbraw/zinc/24/99/62/557249962.db2.gz CWESYDXAGZOGIO-HSZRJFAPSA-N 1 1 434.588 4.682 40 0 IJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501099 557324233 /nfs/dbraw/zinc/32/42/33/557324233.db2.gz RSVGREGUWYZDSH-NRFANRHFSA-N 1 1 436.604 4.864 40 0 IJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013501099 557324235 /nfs/dbraw/zinc/32/42/35/557324235.db2.gz RSVGREGUWYZDSH-NRFANRHFSA-N 1 1 436.604 4.864 40 0 IJABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cccc5ncccc45)C3)[nH]n2)cc1 ZINC000072371722 557388377 /nfs/dbraw/zinc/38/83/77/557388377.db2.gz KKJRBQRPXWFIFX-FQEVSTJZSA-N 1 1 428.536 4.578 40 0 IJABMO COc1ccc(OCCc2cc([C@H]3CC[N@H+](Cc4cccc5ncccc45)C3)n[nH]2)cc1 ZINC000072371722 557388380 /nfs/dbraw/zinc/38/83/80/557388380.db2.gz KKJRBQRPXWFIFX-FQEVSTJZSA-N 1 1 428.536 4.578 40 0 IJABMO COc1ccc(OCCc2cc([C@H]3CC[N@@H+](Cc4cccc5ncccc45)C3)n[nH]2)cc1 ZINC000072371722 557388383 /nfs/dbraw/zinc/38/83/83/557388383.db2.gz KKJRBQRPXWFIFX-FQEVSTJZSA-N 1 1 428.536 4.578 40 0 IJABMO CC(C)CNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579293 557746304 /nfs/dbraw/zinc/74/63/04/557746304.db2.gz KSUAXMOJDYDELK-UHFFFAOYSA-N 1 1 445.966 4.716 40 0 IJABMO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)s1 ZINC000225590803 557748623 /nfs/dbraw/zinc/74/86/23/557748623.db2.gz JPCRBSUDYVETPT-UHFFFAOYSA-N 1 1 428.986 4.683 40 0 IJABMO C[C@@H]1Cc2cccc3c2n1cc(C(=O)NCCCNc1cc[nH+]c2cc(Cl)ccc12)c3=O ZINC000225862529 557786433 /nfs/dbraw/zinc/78/64/33/557786433.db2.gz QHZPAWRCKBJZOU-OAHLLOKOSA-N 1 1 446.938 4.552 40 0 IJABMO COc1cccc(OC)c1CNC(=O)[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909716 557791012 /nfs/dbraw/zinc/79/10/12/557791012.db2.gz JVKDMEDEHACUAK-HNNXBMFYSA-N 1 1 437.367 4.539 40 0 IJABMO COc1cccc(OC)c1CNC(=O)[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1 ZINC000225909716 557791015 /nfs/dbraw/zinc/79/10/15/557791015.db2.gz JVKDMEDEHACUAK-HNNXBMFYSA-N 1 1 437.367 4.539 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCC[N@@H+]3Cc3sccc3C)nn2c1C ZINC000257208749 568669049 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/nfs/dbraw/zinc/72/36/51/568723651.db2.gz XGTZGKVIAZBHPT-JTAQYXEDSA-N 1 1 446.517 4.907 40 0 IJABMO CNc1ncccc1C[N@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCCC[C@H]12 ZINC000257328708 568723654 /nfs/dbraw/zinc/72/36/54/568723654.db2.gz XGTZGKVIAZBHPT-JTAQYXEDSA-N 1 1 446.517 4.907 40 0 IJABMO Cc1csc(Nc2cccc(C3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)n2)n1 ZINC000257343191 568729987 /nfs/dbraw/zinc/72/99/87/568729987.db2.gz ZRVOVGVVBVTCBB-UHFFFAOYSA-N 1 1 425.533 4.547 40 0 IJABMO C[C@@H]1C[N@@H+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C[C@H](C)O1 ZINC000216839863 568862869 /nfs/dbraw/zinc/86/28/69/568862869.db2.gz IOSLKOUPABJATC-OKILXGFUSA-N 1 1 448.304 4.709 40 0 IJABMO C[C@@H]1C[N@H+](Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C[C@H](C)O1 ZINC000216839863 568862870 /nfs/dbraw/zinc/86/28/70/568862870.db2.gz IOSLKOUPABJATC-OKILXGFUSA-N 1 1 448.304 4.709 40 0 IJABMO CCc1cc([C@H](c2ccccc2OC)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001236001 568885902 /nfs/dbraw/zinc/88/59/02/568885902.db2.gz 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Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 ZINC000072354063 556928898 /nfs/dbraw/zinc/92/88/98/556928898.db2.gz HWARZDZZXOJXAK-QFIPXVFZSA-N 1 1 436.987 4.935 40 0 IJABMO COc1cc(C)ccc1OCC(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)cc(C)[nH+]1 ZINC000072372613 556943380 /nfs/dbraw/zinc/94/33/80/556943380.db2.gz QVFDAGXMUINUPV-QFIPXVFZSA-N 1 1 446.551 4.897 40 0 IJABMO Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3cc(Nc4ncccc4C)cc(C)[nH+]3)c2c1 ZINC000072372751 556944030 /nfs/dbraw/zinc/94/40/30/556944030.db2.gz HVXIASUTUZCEGB-QFIPXVFZSA-N 1 1 426.524 4.999 40 0 IJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1cccc(Nc3ncc(C)s3)n1)OCCO2 ZINC000072375795 556953089 /nfs/dbraw/zinc/95/30/89/556953089.db2.gz DKJHEBIRVAVNKI-SFHVURJKSA-N 1 1 438.553 4.707 40 0 IJABMO COc1cc2c(cc1C[N@H+]1CCC[C@H]1c1cccc(Nc3ncc(C)s3)n1)OCCO2 ZINC000072375795 556953091 /nfs/dbraw/zinc/95/30/91/556953091.db2.gz DKJHEBIRVAVNKI-SFHVURJKSA-N 1 1 438.553 4.707 40 0 IJABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO ZINC000072376106 556953868 /nfs/dbraw/zinc/95/38/68/556953868.db2.gz HZVABLYHAAVFTC-OAQYLSRUSA-N 1 1 432.568 4.799 40 0 IJABMO Fc1ccc(-c2cnc3c(c2)[C@H]([NH2+]CC2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000072396327 556969222 /nfs/dbraw/zinc/96/92/22/556969222.db2.gz HEHDUXFTCXITEH-OAQYLSRUSA-N 1 1 430.512 4.552 40 0 IJABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398654 556970406 /nfs/dbraw/zinc/97/04/06/556970406.db2.gz RVMWWVHTKRNJOS-HFSBSBEISA-N 1 1 426.564 4.763 40 0 IJABMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000005218752 557076974 /nfs/dbraw/zinc/07/69/74/557076974.db2.gz IHCWICSXMPBRIK-OYDLWJJNSA-N 1 1 428.960 4.655 40 0 IJABMO COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000005218752 557076979 /nfs/dbraw/zinc/07/69/79/557076979.db2.gz IHCWICSXMPBRIK-OYDLWJJNSA-N 1 1 428.960 4.655 40 0 IJABMO Cc1nc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000585166176 557128963 /nfs/dbraw/zinc/12/89/63/557128963.db2.gz KXDOBQKBOIPUNN-JOCHJYFZSA-N 1 1 446.570 4.836 40 0 IJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501139 557324687 /nfs/dbraw/zinc/32/46/87/557324687.db2.gz GSZVNYMPOOYQOX-QHCPKHFHSA-N 1 1 434.588 4.834 40 0 IJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501139 557324692 /nfs/dbraw/zinc/32/46/92/557324692.db2.gz GSZVNYMPOOYQOX-QHCPKHFHSA-N 1 1 434.588 4.834 40 0 IJABMO Cc1cccc(CNC(=O)C2(Cc3cccc([C@H]4CCC[N@H+](C)C4)c3)CCOCC2)c1C ZINC000072372276 557388413 /nfs/dbraw/zinc/38/84/13/557388413.db2.gz WJYAUZUKBWMVGR-SANMLTNESA-N 1 1 434.624 4.768 40 0 IJABMO CCCSc1nnc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)s1 ZINC000223612681 557491803 /nfs/dbraw/zinc/49/18/03/557491803.db2.gz ANSBMCMTYKVJAF-UHFFFAOYSA-N 1 1 428.986 4.683 40 0 IJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 ZINC000225300668 557710025 /nfs/dbraw/zinc/71/00/25/557710025.db2.gz ZTGYGZRTRGGTBL-UHFFFAOYSA-N 1 1 443.551 4.860 40 0 IJABMO COc1ccc(OC)c([C@@H](C)NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000225428065 557722069 /nfs/dbraw/zinc/72/20/69/557722069.db2.gz UZEHKDVRPZFVPJ-OAHLLOKOSA-N 1 1 434.939 4.586 40 0 IJABMO Cc1ccc(C2(C(=O)Nc3ccc(OCCC[NH+]4CCOCC4)cc3)CCCCC2)cc1 ZINC000225542729 557739205 /nfs/dbraw/zinc/73/92/05/557739205.db2.gz QRXVEVYBRYXDQY-UHFFFAOYSA-N 1 1 436.596 4.937 40 0 IJABMO C[C@]12C[C@@H]3[NH2+][C@H]1CCC[C@H]2N(C(=O)c1cc(-c2ccccc2F)[nH]n1)[C@@H]3Cc1ccccc1 ZINC000257235294 568681573 /nfs/dbraw/zinc/68/15/73/568681573.db2.gz GXFOHJLLAREJGM-OPTOMFAQSA-N 1 1 444.554 4.572 40 0 IJABMO C[N@H+](CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000257238134 568683140 /nfs/dbraw/zinc/68/31/40/568683140.db2.gz HJTFUNLBXIHVMM-QHCPKHFHSA-N 1 1 439.506 4.729 40 0 IJABMO C[N@@H+](CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1)Cc1ccc(F)cc1 ZINC000257238134 568683142 /nfs/dbraw/zinc/68/31/42/568683142.db2.gz HJTFUNLBXIHVMM-QHCPKHFHSA-N 1 1 439.506 4.729 40 0 IJABMO O=C(C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1)Nc1ccc2ncccc2c1 ZINC000257239485 568683537 /nfs/dbraw/zinc/68/35/37/568683537.db2.gz HPLPVUGNKRAHAB-UHFFFAOYSA-N 1 1 438.535 4.587 40 0 IJABMO COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)Cn4cc[nH+]c4C(C)C)C3)c2)c1 ZINC000257245085 568686051 /nfs/dbraw/zinc/68/60/51/568686051.db2.gz IOAUWADCAJOAFQ-NRFANRHFSA-N 1 1 432.568 4.792 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257247626 568687161 /nfs/dbraw/zinc/68/71/61/568687161.db2.gz IZVGZIAYWGBROX-QHCPKHFHSA-N 1 1 434.628 4.507 40 0 IJABMO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc1C ZINC000257270858 568698177 /nfs/dbraw/zinc/69/81/77/568698177.db2.gz MVXVPQLACSJFRS-GOSISDBHSA-N 1 1 449.426 4.801 40 0 IJABMO CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)nc1C ZINC000257270858 568698180 /nfs/dbraw/zinc/69/81/80/568698180.db2.gz MVXVPQLACSJFRS-GOSISDBHSA-N 1 1 449.426 4.801 40 0 IJABMO CCc1[nH+]ccn1Cc1cc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)ccc1OC ZINC000257301111 568711962 /nfs/dbraw/zinc/71/19/62/568711962.db2.gz RXAKHGIPZARXII-ZXWDYMNISA-N 1 1 439.600 4.663 40 0 IJABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)cc1CO ZINC000257323330 568721524 /nfs/dbraw/zinc/72/15/24/568721524.db2.gz WJSFLGLHUGIOFO-LJQANCHMSA-N 1 1 438.597 4.861 40 0 IJABMO O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccccc2)[C@@H]2CCC[N@H+]2[C@]12C(=O)Nc1ccccc12 ZINC000261828153 568735905 /nfs/dbraw/zinc/73/59/05/568735905.db2.gz BDVFQIOWTQUFQE-LAOBSVPGSA-N 1 1 426.491 4.734 40 0 IJABMO O=C1N(Cc2ccccc2)CCC[C@@]12C[N@@H+](CCc1ccccc1)C[C@@H]2c1nccs1 ZINC000306137956 568770152 /nfs/dbraw/zinc/77/01/52/568770152.db2.gz RLBAMKILNFNPMV-BVAGGSTKSA-N 1 1 431.605 4.594 40 0 IJABMO Cc1ccsc1C[N@H+]1C[C@@H](c2nccs2)[C@]2(CCN(Cc3cccs3)C2=O)C1 ZINC000306139018 568771070 /nfs/dbraw/zinc/77/10/70/568771070.db2.gz SNFONVYIHNNJMH-UWJYYQICSA-N 1 1 429.636 4.593 40 0 IJABMO O=C(c1cnc2cc(Cl)ccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198792 568921727 /nfs/dbraw/zinc/92/17/27/568921727.db2.gz IKNIRVYOYACPMV-MBKAAHDRSA-N 1 1 437.971 4.629 40 0 IJABMO CCCC[C@@H](CC)CNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000004063112 568926091 /nfs/dbraw/zinc/92/60/91/568926091.db2.gz HDWMZLOXEHLERX-AAVWJAMMSA-N 1 1 430.633 4.696 40 0 IJABMO O=C(NCCSCc1ccccc1F)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009062759 569219649 /nfs/dbraw/zinc/21/96/49/569219649.db2.gz YADQVRVRZYLFPY-UHFFFAOYSA-N 1 1 438.971 4.880 40 0 IJABMO C[C@H](CC[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1)c1ccccc1 ZINC000019455658 569226640 /nfs/dbraw/zinc/22/66/40/569226640.db2.gz DZKQVSMRZAQSIM-WHSBFGAESA-N 1 1 428.580 4.854 40 0 IJABMO CCc1ncc(C[N@H+]2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C(F)(F)F)c2)cn1 ZINC000019713837 569235756 /nfs/dbraw/zinc/23/57/56/569235756.db2.gz VMTDHWGQZOPZCV-RTWAWAEBSA-N 1 1 446.517 4.604 40 0 IJABMO COc1cc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)ccc1OC(C)C ZINC000044905245 522429026 /nfs/dbraw/zinc/42/90/26/522429026.db2.gz VTRGDGUXXMKEME-FQEVSTJZSA-N 1 1 430.976 4.664 40 0 IJABMO COc1ccc(CN(C)C(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1OC ZINC000020488458 523999754 /nfs/dbraw/zinc/99/97/54/523999754.db2.gz OYAVNIYTVIPMLA-UHFFFAOYSA-N 1 1 430.548 4.534 40 0 IJABMO Cc1cc(C)nc(Nc2cccc(C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)c2)n1 ZINC000225915023 524594128 /nfs/dbraw/zinc/59/41/28/524594128.db2.gz BPHQJXRXVWUFCX-UHFFFAOYSA-N 1 1 446.942 4.881 40 0 IJABMO COc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1OC ZINC000020451317 525143623 /nfs/dbraw/zinc/14/36/23/525143623.db2.gz SOUYFXSWSGYPRW-LJQANCHMSA-N 1 1 430.548 4.753 40 0 IJABMO O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000030941522 556516283 /nfs/dbraw/zinc/51/62/83/556516283.db2.gz AKUQGGYHKCKNHJ-HXUWFJFHSA-N 1 1 439.987 4.817 40 0 IJABMO O=C([C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850752 556624669 /nfs/dbraw/zinc/62/46/69/556624669.db2.gz JUNUOHSAKBQWGL-FQEVSTJZSA-N 1 1 446.422 4.550 40 0 IJABMO O=C(NCCSC1CCCCC1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038852844 556625046 /nfs/dbraw/zinc/62/50/46/556625046.db2.gz ZMIDVRREEIARGS-UHFFFAOYSA-N 1 1 439.463 4.843 40 0 IJABMO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044906653 556680125 /nfs/dbraw/zinc/68/01/25/556680125.db2.gz ZTJOOWCXGYOZIP-UHFFFAOYSA-N 1 1 435.395 4.963 40 0 IJABMO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1 ZINC000044906864 556680146 /nfs/dbraw/zinc/68/01/46/556680146.db2.gz JLKNUMMEYYQIHI-UHFFFAOYSA-N 1 1 435.395 4.963 40 0 IJABMO Cc1ccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000044909486 556680341 /nfs/dbraw/zinc/68/03/41/556680341.db2.gz MBQGTALJCJGKNK-UHFFFAOYSA-N 1 1 429.402 4.719 40 0 IJABMO CCOC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c1 ZINC000044911905 556681054 /nfs/dbraw/zinc/68/10/54/556681054.db2.gz XQAKEEOCOZXKDZ-UHFFFAOYSA-N 1 1 432.923 4.815 40 0 IJABMO O=C(N[C@@H]1CCCc2ccccc21)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044933027 556682429 /nfs/dbraw/zinc/68/24/29/556682429.db2.gz IHAQIEATPUVUEV-JOCHJYFZSA-N 1 1 427.386 4.855 40 0 IJABMO CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000019081830 556696435 /nfs/dbraw/zinc/69/64/35/556696435.db2.gz OCZGADVLIXWQPP-UWJYYQICSA-N 1 1 443.975 4.579 40 0 IJABMO C[C@@H]1CCCC[N@H+]1CCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257268014 556713336 /nfs/dbraw/zinc/71/33/36/556713336.db2.gz MJWLFYSGJZXMTB-OAQYLSRUSA-N 1 1 438.587 4.823 40 0 IJABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 ZINC000019288039 556728416 /nfs/dbraw/zinc/72/84/16/556728416.db2.gz DAJKRBQFJCVLQM-OAHLLOKOSA-N 1 1 449.502 4.525 40 0 IJABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cccc(OCc3ccc(F)cc3)c1)C2 ZINC000019330983 556736959 /nfs/dbraw/zinc/73/69/59/556736959.db2.gz GKKLVCFSCMQNMX-VKSRLUHHSA-N 1 1 432.539 4.919 40 0 IJABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccccc3Cl)CC[C@@H]21 ZINC000019349231 556744144 /nfs/dbraw/zinc/74/41/44/556744144.db2.gz CYIASSLNKNJVPC-FUDKSRODSA-N 1 1 437.996 4.927 40 0 IJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000019369032 556747018 /nfs/dbraw/zinc/74/70/18/556747018.db2.gz GVPAEGKKXZWRBM-WIYYLYMNSA-N 1 1 427.520 4.805 40 0 IJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1ccccc1 ZINC000019369032 556747021 /nfs/dbraw/zinc/74/70/21/556747021.db2.gz GVPAEGKKXZWRBM-WIYYLYMNSA-N 1 1 427.520 4.805 40 0 IJABMO O=C(c1ccsc1)N1CCC2(CC1)C[N@@H+](Cc1ccccc1)C[C@H](c1ccccc1)O2 ZINC000019371698 556748401 /nfs/dbraw/zinc/74/84/01/556748401.db2.gz SLCXXECNNROSOS-XMMPIXPASA-N 1 1 432.589 4.997 40 0 IJABMO CC(C)c1ncc(C[N@H+]2CC[C@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019453980 556764204 /nfs/dbraw/zinc/76/42/04/556764204.db2.gz SVXCMNFFERKRAD-AREMUKBSSA-N 1 1 448.636 4.852 40 0 IJABMO CCCC(=O)N1c2ccc([C@H](O)C[N@@H+]3CCc4[nH]c5c(cccc5C)c4C3)cc2C[C@@H]1C ZINC000019501706 556773348 /nfs/dbraw/zinc/77/33/48/556773348.db2.gz DNRVCVYCFJDXOR-AVRWGWEMSA-N 1 1 431.580 4.646 40 0 IJABMO CCCC(=O)N1c2ccc([C@H](O)C[N@H+]3CCc4[nH]c5c(cccc5C)c4C3)cc2C[C@@H]1C ZINC000019501706 556773350 /nfs/dbraw/zinc/77/33/50/556773350.db2.gz DNRVCVYCFJDXOR-AVRWGWEMSA-N 1 1 431.580 4.646 40 0 IJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371362 556784208 /nfs/dbraw/zinc/78/42/08/556784208.db2.gz IWBIXQCAOYHKNO-QFIPXVFZSA-N 1 1 432.568 4.663 40 0 IJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]2c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)cc1 ZINC000019703646 556862116 /nfs/dbraw/zinc/86/21/16/556862116.db2.gz BQAKQUBXLPJSAC-XMMPIXPASA-N 1 1 440.494 4.605 40 0 IJABMO C=C1[NH+]=C(SCc2cccc(C)c2)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408994012 556912976 /nfs/dbraw/zinc/91/29/76/556912976.db2.gz YBFPNDQVFASYPU-QFIPXVFZSA-N 1 1 440.565 4.783 40 0 IJABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352282 556923689 /nfs/dbraw/zinc/92/36/89/556923689.db2.gz DUZRUHRMIIGUGH-MRXNPFEDSA-N 1 1 433.577 4.751 40 0 IJABMO CCn1cc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)c(C)n1 ZINC000072371600 556939723 /nfs/dbraw/zinc/93/97/23/556939723.db2.gz STIDTHZDJSFBBP-QGZVFWFLSA-N 1 1 447.505 4.564 40 0 IJABMO CCn1cc(C[N@@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)c(C)n1 ZINC000072371600 556939726 /nfs/dbraw/zinc/93/97/26/556939726.db2.gz STIDTHZDJSFBBP-QGZVFWFLSA-N 1 1 447.505 4.564 40 0 IJABMO CCn1cc(C[N@H+]2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)c(C)n1 ZINC000072371600 556939728 /nfs/dbraw/zinc/93/97/28/556939728.db2.gz STIDTHZDJSFBBP-QGZVFWFLSA-N 1 1 447.505 4.564 40 0 IJABMO CCc1nc(NC(=O)C2(Cc3cccc([C@H]4CCC[N@@H+](C)C4)c3)CCOCC2)sc1C ZINC000072372230 556942001 /nfs/dbraw/zinc/94/20/01/556942001.db2.gz IEUPFACDUYVEGW-NRFANRHFSA-N 1 1 441.641 4.801 40 0 IJABMO Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CCn2ncc3ccccc32)[nH+]1 ZINC000072372564 556943128 /nfs/dbraw/zinc/94/31/28/556943128.db2.gz UWQNNACEYOWMSM-NRFANRHFSA-N 1 1 432.553 4.694 40 0 IJABMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cc1CO ZINC000072376108 556954319 /nfs/dbraw/zinc/95/43/19/556954319.db2.gz XJWYLJJQOIVJBW-OAQYLSRUSA-N 1 1 432.568 4.799 40 0 IJABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2c3cccnc3[nH]c2C(F)(F)F)cc1 ZINC000072393366 556964423 /nfs/dbraw/zinc/96/44/23/556964423.db2.gz USFXCQGKFCHWTM-XVQYUUQNSA-N 1 1 431.458 4.605 40 0 IJABMO O=C(c1ccc(OCCSc2ccccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020036776 556970478 /nfs/dbraw/zinc/97/04/78/556970478.db2.gz BBYNXXBKSQMHHS-UHFFFAOYSA-N 1 1 432.589 4.816 40 0 IJABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585101766 557035102 /nfs/dbraw/zinc/03/51/02/557035102.db2.gz DZOKGEHJSIDWEV-AREMUKBSSA-N 1 1 431.536 4.964 40 0 IJABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)c1ccc(Oc3ccccc3)cc1)C2 ZINC000585101766 557035104 /nfs/dbraw/zinc/03/51/04/557035104.db2.gz DZOKGEHJSIDWEV-AREMUKBSSA-N 1 1 431.536 4.964 40 0 IJABMO C[NH+](C)CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022942444 557053803 /nfs/dbraw/zinc/05/38/03/557053803.db2.gz UWKPDQILSSFARJ-UHFFFAOYSA-N 1 1 432.189 4.986 40 0 IJABMO CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)cc1OC ZINC000057774056 557263720 /nfs/dbraw/zinc/26/37/20/557263720.db2.gz LXHUPULAFYZTFM-LVXARBLLSA-N 1 1 439.600 4.605 40 0 IJABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500093 557330007 /nfs/dbraw/zinc/33/00/07/557330007.db2.gz NLGSGZTVTPFZDZ-OAQYLSRUSA-N 1 1 436.604 4.864 40 0 IJABMO CCn1c(SC)nnc1C1CC[NH+](CC(=O)N(c2ccccc2)c2ccccc2)CC1 ZINC000013565093 557341753 /nfs/dbraw/zinc/34/17/53/557341753.db2.gz WOHVVUCXZIURKY-UHFFFAOYSA-N 1 1 435.597 4.564 40 0 IJABMO C[C@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCCO2 ZINC000222656494 557369351 /nfs/dbraw/zinc/36/93/51/557369351.db2.gz 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Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3[C@H](C)CC(=O)Nc3ccccc3)cc2n1 ZINC000012230698 569224921 /nfs/dbraw/zinc/22/49/21/569224921.db2.gz DILBGUOOQLGLQX-CRAIPNDOSA-N 1 1 431.462 4.611 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019235952 569226056 /nfs/dbraw/zinc/22/60/56/569226056.db2.gz DEWBTMKTRLMKPD-PXDATVDWSA-N 1 1 447.554 4.921 40 0 IJABMO O=C(N[C@@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CC1 ZINC000019330891 569226421 /nfs/dbraw/zinc/22/64/21/569226421.db2.gz YXLJGEURENODKU-NZQKXSOJSA-N 1 1 439.625 4.944 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000019348941 569226431 /nfs/dbraw/zinc/22/64/31/569226431.db2.gz STTHLGGGRBVDEF-DENIHFKCSA-N 1 1 431.502 4.970 40 0 IJABMO Cc1cc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc(C)c1O ZINC000019569986 569226963 /nfs/dbraw/zinc/22/69/63/569226963.db2.gz ANWDYKFITUTCDM-WIOPSUGQSA-N 1 1 447.554 4.926 40 0 IJABMO 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ZINC000038836004 556623145 /nfs/dbraw/zinc/62/31/45/556623145.db2.gz IZPNKPPBNYMNLA-LJQANCHMSA-N 1 1 432.395 4.554 40 0 IJABMO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)c1 ZINC000038851867 556625012 /nfs/dbraw/zinc/62/50/12/556625012.db2.gz MFITZNIFFJXWTH-UHFFFAOYSA-N 1 1 435.351 4.939 40 0 IJABMO COc1ccc(CCCNC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000044907063 556680135 /nfs/dbraw/zinc/68/01/35/556680135.db2.gz ADKTZGYEGWMQBB-UHFFFAOYSA-N 1 1 435.395 4.963 40 0 IJABMO Cc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000044909719 556680396 /nfs/dbraw/zinc/68/03/96/556680396.db2.gz JIKFRHWUMNRUFM-UHFFFAOYSA-N 1 1 429.402 4.719 40 0 IJABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c(C)c1 ZINC000044912146 556681008 /nfs/dbraw/zinc/68/10/08/556681008.db2.gz NFJYHSFGDQDSMG-UHFFFAOYSA-N 1 1 432.923 4.815 40 0 IJABMO c1ccc(COc2ccccc2C[N@H+]2CCOC[C@H](Cc3ccc4ncccc4c3)C2)nc1 ZINC000257222347 556707807 /nfs/dbraw/zinc/70/78/07/556707807.db2.gz DSXYWFBYFQCRCP-HSZRJFAPSA-N 1 1 439.559 4.900 40 0 IJABMO Cc1ccc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccc(OCc5ccccc5F)cc4)C[C@H]32)nc1 ZINC000019216009 556711928 /nfs/dbraw/zinc/71/19/28/556711928.db2.gz JSDLTBKFNOMEHD-WBWMCNGVSA-N 1 1 432.539 4.838 40 0 IJABMO Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)c1 ZINC000019234414 556718540 /nfs/dbraw/zinc/71/85/40/556718540.db2.gz PNYBYOVMVHVBMY-HSZRJFAPSA-N 1 1 434.584 4.549 40 0 IJABMO O[C@@H](c1cccnc1)c1ccccc1N1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000019349175 556744155 /nfs/dbraw/zinc/74/41/55/556744155.db2.gz HNFQMJQWTWWAJL-QHCPKHFHSA-N 1 1 427.470 4.504 40 0 IJABMO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000019500913 556772663 /nfs/dbraw/zinc/77/26/63/556772663.db2.gz PWZBKINEXBLNDF-UWVAXJGDSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000019500913 556772668 /nfs/dbraw/zinc/77/26/68/556772668.db2.gz PWZBKINEXBLNDF-UWVAXJGDSA-N 1 1 449.521 4.626 40 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568692981 /nfs/dbraw/zinc/69/29/81/568692981.db2.gz KZCJMHLVEJLAOJ-UHFFFAOYSA-N 1 1 447.579 4.693 40 0 IJABMO Cc1nc2cc([C@H]3CCC[N@H+]3C3CCCCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257295478 568709307 /nfs/dbraw/zinc/70/93/07/568709307.db2.gz QYLIBFGTVIXMPO-XMMPIXPASA-N 1 1 437.632 4.807 40 0 IJABMO COCc1cc(C[N@H+]2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)ccc1OC(C)C ZINC000257297040 568710073 /nfs/dbraw/zinc/71/00/73/568710073.db2.gz RFNLIEFAJHMDDH-NRFANRHFSA-N 1 1 447.583 4.928 40 0 IJABMO CCN1CC[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257309656 568715295 /nfs/dbraw/zinc/71/52/95/568715295.db2.gz UBVJSMDVJXCCKH-VWLOTQADSA-N 1 1 438.575 4.753 40 0 IJABMO O=C1CCCC[C@]2(C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2ccccc2)N1 ZINC000257309968 568715338 /nfs/dbraw/zinc/71/53/38/568715338.db2.gz UDCRBAHPPWKMFO-XTEPFMGCSA-N 1 1 441.575 4.689 40 0 IJABMO c1ccc(COc2cccc(C[N@H+]3CCOC[C@H](Cc4cccc5cccnc54)C3)c2)nc1 ZINC000257338030 568727813 /nfs/dbraw/zinc/72/78/13/568727813.db2.gz YVNCIUHWKLMRNQ-HSZRJFAPSA-N 1 1 439.559 4.900 40 0 IJABMO CCOc1ccc(C[N@H+]2CCC[C@@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)cc1 ZINC000057775181 568909125 /nfs/dbraw/zinc/90/91/25/568909125.db2.gz QJSXPVFTHKDHME-MHZLTWQESA-N 1 1 447.579 4.653 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@H]1CCCO1 ZINC000247485360 569205956 /nfs/dbraw/zinc/20/59/56/569205956.db2.gz KMZXNDXAHDIQCF-YHYVQYDKSA-N 1 1 448.394 4.637 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@H]1CCCO1 ZINC000247485360 569205958 /nfs/dbraw/zinc/20/59/58/569205958.db2.gz KMZXNDXAHDIQCF-YHYVQYDKSA-N 1 1 448.394 4.637 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000019235957 569226370 /nfs/dbraw/zinc/22/63/70/569226370.db2.gz YREZQDQNYOVKIQ-IFMALSPDSA-N 1 1 435.593 4.843 40 0 IJABMO Cc1nc([C@H]2CC[N@H+](C3CCCCC3)C2)nc2c1CCC(=O)N2CCc1ccccc1F ZINC000019696167 569229674 /nfs/dbraw/zinc/22/96/74/569229674.db2.gz CRJRWNQKXGZYRW-FQEVSTJZSA-N 1 1 436.575 4.568 40 0 IJABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CC[C@H](c2cc(COc3ccccc3F)[nH]n2)C1 ZINC000019704712 569233547 /nfs/dbraw/zinc/23/35/47/569233547.db2.gz CIBSDLCRSBRJRB-IBGZPJMESA-N 1 1 445.542 4.732 40 0 IJABMO CN(C)c1nc2ccccc2cc1C[N@@H+]1CC[C@H](c2cc(COc3ccccc3F)n[nH]2)C1 ZINC000019704712 569233548 /nfs/dbraw/zinc/23/35/48/569233548.db2.gz CIBSDLCRSBRJRB-IBGZPJMESA-N 1 1 445.542 4.732 40 0 IJABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CC[C@H](c2cc(COc3ccccc3F)n[nH]2)C1 ZINC000019704712 569233549 /nfs/dbraw/zinc/23/35/49/569233549.db2.gz CIBSDLCRSBRJRB-IBGZPJMESA-N 1 1 445.542 4.732 40 0 IJABMO Cc1nc([C@]2(O)CCC[N@@H+](CC3=CCCOC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705375 569234126 /nfs/dbraw/zinc/23/41/26/569234126.db2.gz FVUQSVVHZQSPAZ-QHCPKHFHSA-N 1 1 449.016 4.704 40 0 IJABMO Cc1nc([C@@]2(O)CCC[N@@H+](CC3=CCCOC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705374 569234163 /nfs/dbraw/zinc/23/41/63/569234163.db2.gz FVUQSVVHZQSPAZ-HSZRJFAPSA-N 1 1 449.016 4.704 40 0 IJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)CC1 ZINC000020241851 569241358 /nfs/dbraw/zinc/24/13/58/569241358.db2.gz MHIYEUJHXCNVEF-UHFFFAOYSA-N 1 1 429.564 4.887 40 0 IJABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3ccc(SC)cc3)c4=O)C2)cc1 ZINC000004237316 291391747 /nfs/dbraw/zinc/39/17/47/291391747.db2.gz NUZABJNQXLGKKC-PZJWPPBQSA-N 1 1 432.589 4.865 40 0 biogenic,in-vitro IJABMO CCN(CC)CC[NH2+]Cc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 ZINC000022075617 520687879 /nfs/dbraw/zinc/68/78/79/520687879.db2.gz CRCZFQJJMRUQRB-UHFFFAOYSA-N 1 1 439.369 4.607 40 0 IJABMO Cc1nc(C)c(CC(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)s1 ZINC000012088159 556401146 /nfs/dbraw/zinc/40/11/46/556401146.db2.gz UVKCBVXJDCEAQE-KRWDZBQOSA-N 1 1 425.602 4.567 40 0 IJABMO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)C(C)=O)cc1OC ZINC000033907962 556568924 /nfs/dbraw/zinc/56/89/24/556568924.db2.gz XQWITZSWWXOLEV-PBDKAQRYSA-N 1 1 438.612 4.741 40 0 IJABMO Cc1nccn1-c1ccc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000038756241 556618158 /nfs/dbraw/zinc/61/81/58/556618158.db2.gz GPAUCSHCPYMLDT-UHFFFAOYSA-N 1 1 436.559 4.669 40 0 IJABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@H+](CCCc3ccccc3)C[C@H]21 ZINC000514289576 556623886 /nfs/dbraw/zinc/62/38/86/556623886.db2.gz LFKGBTVACKTLCC-RSXGOPAZSA-N 1 1 448.513 4.782 40 0 biogenic,in-vitro IJABMO O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038854946 556625345 /nfs/dbraw/zinc/62/53/45/556625345.db2.gz CGNQGFRXTBVDBZ-QFIPXVFZSA-N 1 1 445.538 4.606 40 0 IJABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1C ZINC000038858189 556626024 /nfs/dbraw/zinc/62/60/24/556626024.db2.gz LYJMOXMZGRCRLB-UHFFFAOYSA-N 1 1 435.351 4.939 40 0 IJABMO Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000038857221 556626039 /nfs/dbraw/zinc/62/60/39/556626039.db2.gz UPAZPGGOQFFSMG-IBGZPJMESA-N 1 1 426.004 4.843 40 0 IJABMO c1cncc(COc2cccc(C[N@H+]3CCOC[C@H](Cc4ccc5ncccc5c4)C3)c2)c1 ZINC000257330068 556705579 /nfs/dbraw/zinc/70/55/79/556705579.db2.gz XMQSXARYMHWNLX-RUZDIDTESA-N 1 1 439.559 4.900 40 0 IJABMO COc1ccccc1-c1ccccc1C[N@H+]1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257256211 556712100 /nfs/dbraw/zinc/71/21/00/556712100.db2.gz KKMQWYBFPISBJD-NRFANRHFSA-N 1 1 427.548 4.701 40 0 IJABMO c1ccc(COc2cccc(C[N@H+]3CCOC[C@@H](Cc4ccc5ccncc5c4)C3)c2)nc1 ZINC000257291403 556716301 /nfs/dbraw/zinc/71/63/01/556716301.db2.gz QGUJEYADLURDPD-DEOSSOPVSA-N 1 1 439.559 4.900 40 0 IJABMO Cc1cccc(C[N@@H+]2CC[C@](Cc3ccccc3-c3ccncc3)(C(=O)NCC(C)C)C2)n1 ZINC000019236144 556720881 /nfs/dbraw/zinc/72/08/81/556720881.db2.gz MERHISGXZXIWLW-MUUNZHRXSA-N 1 1 442.607 4.659 40 0 IJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccc1 ZINC000019369036 556747114 /nfs/dbraw/zinc/74/71/14/556747114.db2.gz KRQQDLYWYYICOX-WIYYLYMNSA-N 1 1 427.520 4.805 40 0 IJABMO O=C(N[C@@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccc1 ZINC000019369036 556747118 /nfs/dbraw/zinc/74/71/18/556747118.db2.gz KRQQDLYWYYICOX-WIYYLYMNSA-N 1 1 427.520 4.805 40 0 IJABMO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000019370893 556748451 /nfs/dbraw/zinc/74/84/51/556748451.db2.gz SSJNHGFHPCFYQM-WNCULLNHSA-N 1 1 431.555 4.923 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)c(F)c2)C1)c1cccc(F)c1 ZINC000019400566 556753306 /nfs/dbraw/zinc/75/33/06/556753306.db2.gz OVDVIHZHNCOBMB-YADARESESA-N 1 1 439.481 4.882 40 0 IJABMO CCC(C)(C)n1nnnc1C[N@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000000926713 556753382 /nfs/dbraw/zinc/75/33/82/556753382.db2.gz DFCOTHMDNRTSEO-UHFFFAOYSA-N 1 1 436.604 4.611 40 0 IJABMO CCC(C)(C)n1nnnc1C[N@@H+](Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 ZINC000000926713 556753385 /nfs/dbraw/zinc/75/33/85/556753385.db2.gz DFCOTHMDNRTSEO-UHFFFAOYSA-N 1 1 436.604 4.611 40 0 IJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371105 556783747 /nfs/dbraw/zinc/78/37/47/556783747.db2.gz GIKNDLOZCXRWCS-QHCPKHFHSA-N 1 1 432.568 4.663 40 0 IJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374135 556792873 /nfs/dbraw/zinc/79/28/73/556792873.db2.gz JKAGPOCFIFNQKH-QFIPXVFZSA-N 1 1 436.604 4.864 40 0 IJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374135 556792875 /nfs/dbraw/zinc/79/28/75/556792875.db2.gz JKAGPOCFIFNQKH-QFIPXVFZSA-N 1 1 436.604 4.864 40 0 IJABMO COCCOc1ccc(C[N@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1 ZINC000019568892 556808954 /nfs/dbraw/zinc/80/89/54/556808954.db2.gz NOTASRAMIWZEQD-KRWDZBQOSA-N 1 1 449.473 4.955 40 0 IJABMO COc1ccc(OC)c(C[N@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568879 556808994 /nfs/dbraw/zinc/80/89/94/556808994.db2.gz QLFUYOZBQSCVLR-AWEZNQCLSA-N 1 1 435.446 4.947 40 0 IJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019568954 556809195 /nfs/dbraw/zinc/80/91/95/556809195.db2.gz RCCXDFAGLGPRER-CPJSRVTESA-N 1 1 433.527 4.613 40 0 IJABMO COc1ccccc1NC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019571289 556811712 /nfs/dbraw/zinc/81/17/12/556811712.db2.gz UWKCMRHUOYQFGS-INIZCTEOSA-N 1 1 427.451 4.593 40 0 IJABMO COc1ccccc1NC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019571289 556811716 /nfs/dbraw/zinc/81/17/16/556811716.db2.gz UWKCMRHUOYQFGS-INIZCTEOSA-N 1 1 427.451 4.593 40 0 IJABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000008582507 556841960 /nfs/dbraw/zinc/84/19/60/556841960.db2.gz OXNGJLIMMVBJDI-UHFFFAOYSA-N 1 1 434.588 4.581 40 0 IJABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000008582507 556841962 /nfs/dbraw/zinc/84/19/62/556841962.db2.gz OXNGJLIMMVBJDI-UHFFFAOYSA-N 1 1 434.588 4.581 40 0 IJABMO Nc1ncnc2nc([C@H]3CCC[N@@H+](Cc4ccc5ncccc5c4)C3)cc(C(F)(F)F)c12 ZINC000019743273 556887633 /nfs/dbraw/zinc/88/76/33/556887633.db2.gz NFYUXVHLWWLHHB-INIZCTEOSA-N 1 1 438.457 4.554 40 0 IJABMO Cc1nc2c(C)cccn2c1C[N@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371735 556940356 /nfs/dbraw/zinc/94/03/56/556940356.db2.gz INKIBTRUYAWTSC-IBGZPJMESA-N 1 1 449.986 4.939 40 0 IJABMO Cc1nc2c(C)cccn2c1C[N@@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371735 556940360 /nfs/dbraw/zinc/94/03/60/556940360.db2.gz INKIBTRUYAWTSC-IBGZPJMESA-N 1 1 449.986 4.939 40 0 IJABMO Cc1nc2c(C)cccn2c1C[N@H+]1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371735 556940366 /nfs/dbraw/zinc/94/03/66/556940366.db2.gz INKIBTRUYAWTSC-IBGZPJMESA-N 1 1 449.986 4.939 40 0 IJABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398655 556970376 /nfs/dbraw/zinc/97/03/76/556970376.db2.gz RVMWWVHTKRNJOS-VYWDTDEQSA-N 1 1 426.564 4.763 40 0 IJABMO O=C(COc1cccc(Cl)c1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585099960 557034472 /nfs/dbraw/zinc/03/44/72/557034472.db2.gz BIEYKFDKWZZFBW-DEOSSOPVSA-N 1 1 430.951 4.905 40 0 IJABMO C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104838 557037830 /nfs/dbraw/zinc/03/78/30/557037830.db2.gz USVJYXWSPOVLSY-JPYJTQIMSA-N 1 1 432.486 4.518 40 0 IJABMO C[C@H](c1ccccc1)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(C(F)(F)F)c1)C2 ZINC000585104838 557037835 /nfs/dbraw/zinc/03/78/35/557037835.db2.gz USVJYXWSPOVLSY-JPYJTQIMSA-N 1 1 432.486 4.518 40 0 IJABMO O=S(=O)(Cc1ccccc1)N1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096071133 557167976 /nfs/dbraw/zinc/16/79/76/557167976.db2.gz XIVFHMSBNMZJKA-HHHXNRCGSA-N 1 1 446.616 4.781 40 0 IJABMO Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N5CCC[N@H+](C)CC5)cc43)cs2)cc1 ZINC000096154500 557178299 /nfs/dbraw/zinc/17/82/99/557178299.db2.gz OUEOTPMQNYKPEI-UHFFFAOYSA-N 1 1 432.549 4.704 40 0 IJABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4ccccc4Cl)no3)cc2)C1 ZINC000219241980 557232945 /nfs/dbraw/zinc/23/29/45/557232945.db2.gz JHYJCGKJHIDDHC-QGZVFWFLSA-N 1 1 438.959 4.894 40 0 IJABMO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038855431 557249530 /nfs/dbraw/zinc/24/95/30/557249530.db2.gz DEEQJZBFFZPVSN-MJGOQNOKSA-N 1 1 427.976 4.719 40 0 IJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501138 557324637 /nfs/dbraw/zinc/32/46/37/557324637.db2.gz GSZVNYMPOOYQOX-HSZRJFAPSA-N 1 1 434.588 4.834 40 0 IJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013501138 557324640 /nfs/dbraw/zinc/32/46/40/557324640.db2.gz GSZVNYMPOOYQOX-HSZRJFAPSA-N 1 1 434.588 4.834 40 0 IJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000072344811 557377097 /nfs/dbraw/zinc/37/70/97/557377097.db2.gz JYHMCSHQHGMRRK-JOCHJYFZSA-N 1 1 439.563 4.610 40 0 IJABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1 ZINC000225574112 557745203 /nfs/dbraw/zinc/74/52/03/557745203.db2.gz AWNLHUQDFZTQKG-HXUWFJFHSA-N 1 1 440.559 4.766 40 0 IJABMO CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1OCC ZINC000225585363 557747393 /nfs/dbraw/zinc/74/73/93/557747393.db2.gz BCECLKVPMPKMJT-UHFFFAOYSA-N 1 1 448.966 4.805 40 0 IJABMO COc1ccccc1[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000225825165 557781556 /nfs/dbraw/zinc/78/15/56/557781556.db2.gz HYBXXKYJLMAYQK-INIZCTEOSA-N 1 1 431.374 4.547 40 0 IJABMO COc1cccc(OC)c1CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906711 557790630 /nfs/dbraw/zinc/79/06/30/557790630.db2.gz CMSKWNIVUVEOKH-INIZCTEOSA-N 1 1 437.367 4.539 40 0 IJABMO COc1cccc(OC)c1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906711 557790632 /nfs/dbraw/zinc/79/06/32/557790632.db2.gz CMSKWNIVUVEOKH-INIZCTEOSA-N 1 1 437.367 4.539 40 0 IJABMO CN(Cc1ccccc1)C(=O)CC1(COc2ccccc2)CC[NH+](Cc2nccs2)CC1 ZINC000585269978 568616791 /nfs/dbraw/zinc/61/67/91/568616791.db2.gz SAONBUPVHUPXSD-UHFFFAOYSA-N 1 1 449.620 4.853 40 0 IJABMO CC(C)[C@@H]1C[C@@]2(CCC[N@@H+](Cc3ccc4c(c3)n(C)c(=O)n4C)C2)CO[C@H]1c1ccccc1 ZINC000257219777 568674310 /nfs/dbraw/zinc/67/43/10/568674310.db2.gz DICIHLGYSGKFOQ-PAUTXSKSSA-N 1 1 447.623 4.893 40 0 IJABMO Cc1nc([C@@H]2CCC[N@@H+](CC3CCCCC3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257243763 568685569 /nfs/dbraw/zinc/68/55/69/568685569.db2.gz IILQKWNHJXYZPD-JOCHJYFZSA-N 1 1 426.649 4.845 40 0 IJABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@@H](c4ccc(Cc5cccc(F)c5)cn4)C3)c2n1 ZINC000257244411 568685856 /nfs/dbraw/zinc/68/58/56/568685856.db2.gz ILEVTPXMDMLSEN-JOCHJYFZSA-N 1 1 429.543 4.851 40 0 IJABMO Cc1nc2cc([C@H]3CCCC[N@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257343316 568729929 /nfs/dbraw/zinc/72/99/29/568729929.db2.gz ZSJLZWPILRCYSQ-XMMPIXPASA-N 1 1 437.632 4.665 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257343928 568730133 /nfs/dbraw/zinc/73/01/33/568730133.db2.gz ZUZKQCUKZJESCC-NRFANRHFSA-N 1 1 432.543 4.793 40 0 IJABMO O=C1N(CC2CC2)CC[C@@]12C[N@H+](C(c1ccccc1)c1ccccc1)C[C@@H]2c1cccnc1 ZINC000306136952 568769686 /nfs/dbraw/zinc/76/96/86/568769686.db2.gz QHGPRPYRTHWFAX-UHSQPCAPSA-N 1 1 437.587 4.899 40 0 IJABMO O=C(c1cnc2cc(Cl)ccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198794 568921679 /nfs/dbraw/zinc/92/16/79/568921679.db2.gz IKNIRVYOYACPMV-TXKCWOHGSA-N 1 1 437.971 4.629 40 0 IJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000253608638 569209206 /nfs/dbraw/zinc/20/92/06/569209206.db2.gz MRAVUJGLEKUTNH-QKLQHJQFSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000253608638 569209208 /nfs/dbraw/zinc/20/92/08/569209208.db2.gz MRAVUJGLEKUTNH-QKLQHJQFSA-N 1 1 449.521 4.626 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019235953 569226062 /nfs/dbraw/zinc/22/60/62/569226062.db2.gz DEWBTMKTRLMKPD-SQJMNOBHSA-N 1 1 447.554 4.921 40 0 IJABMO CCc1nc(-c2cncnc2[C@H]2CC[N@@H+](Cc3cn(C(C)C)c4ccc(OC)cc34)C2)no1 ZINC000019693727 569229137 /nfs/dbraw/zinc/22/91/37/569229137.db2.gz ACAINRFRPDBBJL-KRWDZBQOSA-N 1 1 446.555 4.623 40 0 IJABMO CCCOc1ccccc1C[N@H+]1CC[C@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758036 569237305 /nfs/dbraw/zinc/23/73/05/569237305.db2.gz SBQHOOFBGLGDQN-FQEVSTJZSA-N 1 1 448.542 4.955 40 0 IJABMO COc1cccc2cc(C[N@H+]3CCC[C@@H](c4ncc(C(=O)N5CCCCC5)c(C)n4)C3)oc21 ZINC000019763315 569237844 /nfs/dbraw/zinc/23/78/44/569237844.db2.gz ZWAZUXUTXIUQOR-HXUWFJFHSA-N 1 1 448.567 4.546 40 0 IJABMO COc1ccccc1OCC[N@@H+](C[C@H](O)COc1cccc2[nH]c3ccccc3c21)C(C)C ZINC000065743082 569296938 /nfs/dbraw/zinc/29/69/38/569296938.db2.gz LQUBFKUWSKDUMH-FQEVSTJZSA-N 1 1 448.563 4.859 40 0 in-vitro IJABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766291 569329003 /nfs/dbraw/zinc/32/90/03/569329003.db2.gz JSZHECSVDPHJOF-HSZRJFAPSA-N 1 1 439.563 4.576 40 0 IJABMO C[NH+]1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2Cl)CC1 ZINC000408572299 555916070 /nfs/dbraw/zinc/91/60/70/555916070.db2.gz FXOPVIKNFUCLGY-UHFFFAOYSA-N 1 1 439.806 4.604 40 0 IJABMO CC[NH+]1CCN(C(=S)c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)CC1 ZINC000408578561 555918956 /nfs/dbraw/zinc/91/89/56/555918956.db2.gz YTLGWFWDLHSFNA-UHFFFAOYSA-N 1 1 439.408 4.894 40 0 IJABMO CN(C)c1ccc(CC(=O)N2CCC[C@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)cc1 ZINC000012088131 556401170 /nfs/dbraw/zinc/40/11/70/556401170.db2.gz PSIXLHYYFGUKDW-FQEVSTJZSA-N 1 1 433.600 4.559 40 0 IJABMO CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2C[N@@H+](C3CCC(F)(F)CC3)C[C@H]21 ZINC000514289352 556625656 /nfs/dbraw/zinc/62/56/56/556625656.db2.gz ITPZRZLSMOJGFF-IRLDBZIGSA-N 1 1 448.460 4.727 40 0 biogenic,in-vitro IJABMO CCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1OCC ZINC000044882948 556674348 /nfs/dbraw/zinc/67/43/48/556674348.db2.gz QBBHBPWTERLCAQ-FQEVSTJZSA-N 1 1 430.976 4.666 40 0 IJABMO CC(C)Oc1cccc(CNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)c1 ZINC000044882626 556674381 /nfs/dbraw/zinc/67/43/81/556674381.db2.gz ZJKMVSQAMMSYEE-UHFFFAOYSA-N 1 1 445.401 4.765 40 0 IJABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257265580 556713028 /nfs/dbraw/zinc/71/30/28/556713028.db2.gz LZGLTRMDKCVYIZ-OAQYLSRUSA-N 1 1 432.543 4.793 40 0 IJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CC1 ZINC000019330878 556736829 /nfs/dbraw/zinc/73/68/29/556736829.db2.gz YXLJGEURENODKU-OFNKIYASSA-N 1 1 439.625 4.944 40 0 IJABMO O=C(N[C@H](c1nccs1)[C@H]1CCC[N@@H+](Cc2cccc(OC3CCCC3)c2)C1)C1CC1 ZINC000019330887 556736888 /nfs/dbraw/zinc/73/68/88/556736888.db2.gz YXLJGEURENODKU-REWPJTCUSA-N 1 1 439.625 4.944 40 0 IJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000019370409 556747698 /nfs/dbraw/zinc/74/76/98/556747698.db2.gz ZYXWUYHGGWRYPU-SANMLTNESA-N 1 1 435.518 4.672 40 0 IJABMO O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019370908 556748519 /nfs/dbraw/zinc/74/85/19/556748519.db2.gz WIKNMOMOZXXNER-YIXXDRMTSA-N 1 1 431.555 4.923 40 0 IJABMO CCCn1ncc(C[N@@H+](Cc2ccc(OC)cc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)c1C ZINC000019525923 556783521 /nfs/dbraw/zinc/78/35/21/556783521.db2.gz QLMOXIPIUGAYGR-IZZNHLLZSA-N 1 1 437.559 4.934 40 0 IJABMO CCN(CC)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019526195 556784300 /nfs/dbraw/zinc/78/43/00/556784300.db2.gz AACDWZUCHWRQSI-NDEPHWFRSA-N 1 1 442.607 4.755 40 0 IJABMO O=C(Cn1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cc2sccc21)c1ccccc1 ZINC000004400161 556822526 /nfs/dbraw/zinc/82/25/26/556822526.db2.gz ZILIOJWIZNWIGM-UHFFFAOYSA-N 1 1 435.593 4.676 40 0 IJABMO Cc1cc(Cc2ccccc2)cc([C@@H]2CCC[N@@H+]2Cc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000019692003 556848031 /nfs/dbraw/zinc/84/80/31/556848031.db2.gz FWDOQKUGTJUBOS-DEOSSOPVSA-N 1 1 426.564 4.508 40 0 IJABMO CN(CCCc1ccccc1)C(=O)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019752788 556896356 /nfs/dbraw/zinc/89/63/56/556896356.db2.gz MSKNMYMLRIUXOL-DEOSSOPVSA-N 1 1 428.580 4.561 40 0 IJABMO CC(=O)N1CCC[C@@H]1c1nc(C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)cc(N(C)C)n1 ZINC000019760176 556903896 /nfs/dbraw/zinc/90/38/96/556903896.db2.gz NXDXYMOPUNJPGH-RUZDIDTESA-N 1 1 443.595 4.525 40 0 IJABMO CC(=O)N1CCC[C@@H]1c1nc(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)cc(N(C)C)n1 ZINC000019760176 556903899 /nfs/dbraw/zinc/90/38/99/556903899.db2.gz NXDXYMOPUNJPGH-RUZDIDTESA-N 1 1 443.595 4.525 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)cc1 ZINC000072330489 556906282 /nfs/dbraw/zinc/90/62/82/556906282.db2.gz WCILFSWZHNERAL-NVQXNPDNSA-N 1 1 429.564 4.782 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000072330590 556906763 /nfs/dbraw/zinc/90/67/63/556906763.db2.gz STTHLGGGRBVDEF-UGKGYDQZSA-N 1 1 431.502 4.970 40 0 IJABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765144 556909669 /nfs/dbraw/zinc/90/96/69/556909669.db2.gz KRXZBRDFZXJETJ-JOCHJYFZSA-N 1 1 437.547 4.965 40 0 IJABMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(C)=O)c3nccs3)C2)cc1 ZINC000072337764 556910754 /nfs/dbraw/zinc/91/07/54/556910754.db2.gz QLGIEBAFAJBLPT-QPPBQGQZSA-N 1 1 435.593 4.908 40 0 IJABMO C=C1[NH+]=C(SCc2cccc(F)c2)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408990143 556911165 /nfs/dbraw/zinc/91/11/65/556911165.db2.gz MWCBOHMGCNWXRR-NRFANRHFSA-N 1 1 444.528 4.614 40 0 IJABMO COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1cnc(C)s1 ZINC000072370505 556935129 /nfs/dbraw/zinc/93/51/29/556935129.db2.gz KCXZVBQPDHMVQT-QGZVFWFLSA-N 1 1 443.638 4.640 40 0 IJABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCCC3)[nH+]1 ZINC000072372594 556943183 /nfs/dbraw/zinc/94/31/83/556943183.db2.gz ZMPXATUZJPSPSR-QFIPXVFZSA-N 1 1 430.556 4.806 40 0 IJABMO COc1cccc([C@H]2c3cc4c(cc3O[C@@H]([NH+]3CCCC3)[C@@H]2c2ccccc2)OCO4)c1O ZINC000073389470 556976898 /nfs/dbraw/zinc/97/68/98/556976898.db2.gz SXAHPUYYJNJKLC-CMTIAEDTSA-N 1 1 445.515 4.860 40 0 IJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCC[N@@H+]1Cc1cccc2ncccc12 ZINC000585168855 557131453 /nfs/dbraw/zinc/13/14/53/557131453.db2.gz KHQGMXNFVVVCKZ-VWLOTQADSA-N 1 1 439.563 4.957 40 0 IJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCC[N@H+]1Cc1cccc2ncccc12 ZINC000585168855 557131455 /nfs/dbraw/zinc/13/14/55/557131455.db2.gz KHQGMXNFVVVCKZ-VWLOTQADSA-N 1 1 439.563 4.957 40 0 IJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 ZINC000008831727 557175401 /nfs/dbraw/zinc/17/54/01/557175401.db2.gz CDCRFUKUMQYBSP-UHFFFAOYSA-N 1 1 445.032 4.516 40 0 IJABMO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000219419467 557243802 /nfs/dbraw/zinc/24/38/02/557243802.db2.gz HYRKTGKNNLANNK-UHFFFAOYSA-N 1 1 445.350 4.572 40 0 IJABMO CN(CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 ZINC000219421070 557243966 /nfs/dbraw/zinc/24/39/66/557243966.db2.gz WSFHQPRLHARAAY-UHFFFAOYSA-N 1 1 434.411 4.848 40 0 IJABMO CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000022913839 557272974 /nfs/dbraw/zinc/27/29/74/557272974.db2.gz AQYOMQHTYWMKCJ-UHFFFAOYSA-N 1 1 428.532 4.982 40 0 IJABMO Cc1cccc(OCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000014273632 557433273 /nfs/dbraw/zinc/43/32/73/557433273.db2.gz ZXUBWHFSBRYDEP-UHFFFAOYSA-N 1 1 449.982 4.988 40 0 IJABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1Cl ZINC000224193681 557573531 /nfs/dbraw/zinc/57/35/31/557573531.db2.gz JPZCEZPTFMYRKV-UHFFFAOYSA-N 1 1 439.358 4.848 40 0 IJABMO O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224839556 557657234 /nfs/dbraw/zinc/65/72/34/557657234.db2.gz OEUMSLOKRNHLKJ-UHFFFAOYSA-N 1 1 440.031 4.854 40 0 IJABMO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000225006990 557676572 /nfs/dbraw/zinc/67/65/72/557676572.db2.gz UAKUTSDTSUZFOV-UHFFFAOYSA-N 1 1 448.394 4.681 40 0 IJABMO C[C@@H]1CCC[N@@H+](CCOc2ccc(NC(=O)C3(c4ccccc4F)CCOCC3)cc2)C1 ZINC000225571422 557744658 /nfs/dbraw/zinc/74/46/58/557744658.db2.gz RTQASLVHIYPFKV-HXUWFJFHSA-N 1 1 440.559 4.623 40 0 IJABMO C[C@@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 ZINC000225571499 557744695 /nfs/dbraw/zinc/74/46/95/557744695.db2.gz IHZHTRKYTMQLBF-HXUWFJFHSA-N 1 1 440.559 4.766 40 0 IJABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@H]4C)cc3)CCOCC2)c1 ZINC000260814449 557857267 /nfs/dbraw/zinc/85/72/67/557857267.db2.gz IGBFVIHMSBEHNF-JOCHJYFZSA-N 1 1 436.596 4.935 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCC[N@@H+]3Cc3cccc(C)c3)nn2c1C ZINC000257220716 568674651 /nfs/dbraw/zinc/67/46/51/568674651.db2.gz DLVPLQNSWVXWNT-VWLOTQADSA-N 1 1 447.627 4.841 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCC[N@H+]3Cc3cccc(C)c3)nn2c1C ZINC000257220716 568674655 /nfs/dbraw/zinc/67/46/55/568674655.db2.gz DLVPLQNSWVXWNT-VWLOTQADSA-N 1 1 447.627 4.841 40 0 IJABMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1)Cc1ccc(F)cc1 ZINC000257293449 568708042 /nfs/dbraw/zinc/70/80/42/568708042.db2.gz QPLUAXMFAJIMDP-JOCHJYFZSA-N 1 1 441.934 4.853 40 0 IJABMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1)Cc1ccc(F)cc1 ZINC000257293449 568708046 /nfs/dbraw/zinc/70/80/46/568708046.db2.gz QPLUAXMFAJIMDP-JOCHJYFZSA-N 1 1 441.934 4.853 40 0 IJABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257315056 568717703 /nfs/dbraw/zinc/71/77/03/568717703.db2.gz UZSUORCLWOWFRP-IBGZPJMESA-N 1 1 436.506 4.542 40 0 IJABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)Cc4c[nH]c5ccccc45)CCO3)c2)n1 ZINC000257315711 568717874 /nfs/dbraw/zinc/71/78/74/568717874.db2.gz VCMWIQSLMPLDFT-JOCHJYFZSA-N 1 1 447.564 4.522 40 0 IJABMO Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)s1 ZINC000257321972 568720814 /nfs/dbraw/zinc/72/08/14/568720814.db2.gz WECZPIMTTQOBFX-JOCHJYFZSA-N 1 1 439.629 4.510 40 0 IJABMO Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC(C)C)c(C)n3n2)s1 ZINC000257321972 568720815 /nfs/dbraw/zinc/72/08/15/568720815.db2.gz WECZPIMTTQOBFX-JOCHJYFZSA-N 1 1 439.629 4.510 40 0 IJABMO Cc1nc2cc([C@@H]3CCC[N@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257330717 568724728 /nfs/dbraw/zinc/72/47/28/568724728.db2.gz XPPUJMIOJXXUEF-DEOSSOPVSA-N 1 1 437.632 4.618 40 0 IJABMO Cc1ccc(OCC[C@@H](O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000028295303 568864396 /nfs/dbraw/zinc/86/43/96/568864396.db2.gz PIKMDPJDGCIQNC-HHHXNRCGSA-N 1 1 444.619 4.840 40 0 IJABMO O=C(N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1(c2ccccc2)CCOCC1 ZINC000016985301 568894406 /nfs/dbraw/zinc/89/44/06/568894406.db2.gz XVVZZDHTYXZWRU-UHFFFAOYSA-N 1 1 440.587 4.669 40 0 IJABMO OCC[NH+]1CCN(CCC[C@@H]2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000077291818 569293308 /nfs/dbraw/zinc/29/33/08/569293308.db2.gz KQKMVCKAKBHVAL-GOSISDBHSA-N 1 1 436.543 4.692 40 0 in-vitro IJABMO COC(=O)c1ccc(C)c(NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000038851869 556624996 /nfs/dbraw/zinc/62/49/96/556624996.db2.gz IVPWZZYZNYPRRI-UHFFFAOYSA-N 1 1 435.351 4.939 40 0 IJABMO CC[C@H](Oc1cccc(OC)c1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000044844423 556669203 /nfs/dbraw/zinc/66/92/03/556669203.db2.gz UBHLHCDPXXMCSL-SANMLTNESA-N 1 1 444.575 4.786 40 0 IJABMO O=C(Cc1ccc(F)cc1)N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257223904 556708241 /nfs/dbraw/zinc/70/82/41/556708241.db2.gz DZKJCPJXMYSFBE-HFZDXXHNSA-N 1 1 435.518 4.672 40 0 IJABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000257235929 556710028 /nfs/dbraw/zinc/71/00/28/556710028.db2.gz HACKTNOVTDPUSH-VPUSJEBWSA-N 1 1 430.548 4.619 40 0 IJABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000257235929 556710029 /nfs/dbraw/zinc/71/00/29/556710029.db2.gz HACKTNOVTDPUSH-VPUSJEBWSA-N 1 1 430.548 4.619 40 0 IJABMO Cc1c(C)n(C[C@@H](O)C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)c2ccccc12 ZINC000257271462 556713825 /nfs/dbraw/zinc/71/38/25/556713825.db2.gz MYKZTZCKZNUCFH-DEOSSOPVSA-N 1 1 429.564 4.725 40 0 IJABMO Cc1c(C)n(C[C@H](O)C[N@H+](C)Cc2ccc(OCc3ccccn3)cc2)c2ccccc12 ZINC000257271463 556713897 /nfs/dbraw/zinc/71/38/97/556713897.db2.gz MYKZTZCKZNUCFH-XMMPIXPASA-N 1 1 429.564 4.725 40 0 IJABMO Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC3(CO[C@@H](Cc4cccc(F)c4)C3)CC2)c1 ZINC000257274008 556714172 /nfs/dbraw/zinc/71/41/72/556714172.db2.gz NJDZGVBIUUFKQY-VWLOTQADSA-N 1 1 447.554 4.633 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)cc1 ZINC000019236822 556721393 /nfs/dbraw/zinc/72/13/93/556721393.db2.gz WCILFSWZHNERAL-ATIYNZHBSA-N 1 1 429.564 4.782 40 0 IJABMO Cc1cccnc1[C@]1(O)CC[C@H]2C[N@@H+](Cc3cccc(OCc4ccc(F)cc4)c3)C[C@H]21 ZINC000019237856 556722898 /nfs/dbraw/zinc/72/28/98/556722898.db2.gz XAHAJWRHORGWIK-RWUBSVTLSA-N 1 1 432.539 4.838 40 0 IJABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(OC)c1 ZINC000019239800 556725625 /nfs/dbraw/zinc/72/56/25/556725625.db2.gz OUZHFQOGPNORGG-QHCPKHFHSA-N 1 1 447.583 4.657 40 0 IJABMO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019452111 556762952 /nfs/dbraw/zinc/76/29/52/556762952.db2.gz RVCNFROBSCVTCL-HNNXBMFYSA-N 1 1 448.493 4.601 40 0 IJABMO CNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000019455650 556765667 /nfs/dbraw/zinc/76/56/67/556765667.db2.gz IMLRRYFTIZEGKX-DFHRPNOPSA-N 1 1 442.607 4.708 40 0 IJABMO C[C@@H](C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2)c1ccccc1 ZINC000019459282 556767084 /nfs/dbraw/zinc/76/70/84/556767084.db2.gz UDSKOHHIQQRQEL-NTKDMRAZSA-N 1 1 448.611 4.730 40 0 IJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371574 556784432 /nfs/dbraw/zinc/78/44/32/556784432.db2.gz KDBIDHRAHDXKKU-QHCPKHFHSA-N 1 1 432.568 4.663 40 0 IJABMO COc1ccc([C@H]2CN(C(=O)C3CCC3)[C@@H]3CC[N@@H+](Cc4cccc(F)c4F)C[C@@H]32)cc1 ZINC000019557738 556799717 /nfs/dbraw/zinc/79/97/17/556799717.db2.gz IENUCMFLDDRVGN-CQOQZXRMSA-N 1 1 440.534 4.590 40 0 IJABMO CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019689347 556844213 /nfs/dbraw/zinc/84/42/13/556844213.db2.gz VZJVJULHDACBLP-HSZRJFAPSA-N 1 1 426.568 4.916 40 0 IJABMO CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccccc1 ZINC000019689347 556844217 /nfs/dbraw/zinc/84/42/17/556844217.db2.gz VZJVJULHDACBLP-HSZRJFAPSA-N 1 1 426.568 4.916 40 0 IJABMO Cc1cccc(CNc2n[nH]c3nc([C@H]4CCC[N@@H+](Cc5ccccc5C)C4)ccc23)n1 ZINC000019742751 556886730 /nfs/dbraw/zinc/88/67/30/556886730.db2.gz UBBUDCKUKRELRA-NRFANRHFSA-N 1 1 426.568 4.961 40 0 IJABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CCC[N@H+](Cc5ccccc5C)C4)ccc32)n1 ZINC000019742751 556886732 /nfs/dbraw/zinc/88/67/32/556886732.db2.gz UBBUDCKUKRELRA-NRFANRHFSA-N 1 1 426.568 4.961 40 0 IJABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CCC[N@@H+](Cc5ccccc5C)C4)ccc32)n1 ZINC000019742751 556886734 /nfs/dbraw/zinc/88/67/34/556886734.db2.gz UBBUDCKUKRELRA-NRFANRHFSA-N 1 1 426.568 4.961 40 0 IJABMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)cc1C ZINC000019755002 556898016 /nfs/dbraw/zinc/89/80/16/556898016.db2.gz UCZBLPDOMDOIEV-DEOSSOPVSA-N 1 1 432.543 4.808 40 0 IJABMO Cc1ccc(C[N@H+]2CCC[C@H]2c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)cc1C ZINC000019755002 556898019 /nfs/dbraw/zinc/89/80/19/556898019.db2.gz 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Cc1nc([C@@]2(O)CCC[N@H+](C3CCOCC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705354 569234166 /nfs/dbraw/zinc/23/41/66/569234166.db2.gz VSZZNIVVOYXQMD-JOCHJYFZSA-N 1 1 437.005 4.536 40 0 IJABMO Cc1nc([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019758029 569237383 /nfs/dbraw/zinc/23/73/83/569237383.db2.gz YHMYHWNPYQBRHS-MRXNPFEDSA-N 1 1 442.897 4.958 40 0 IJABMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(F)c3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019758029 569237384 /nfs/dbraw/zinc/23/73/84/569237384.db2.gz YHMYHWNPYQBRHS-MRXNPFEDSA-N 1 1 442.897 4.958 40 0 IJABMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000009158384 569294143 /nfs/dbraw/zinc/29/41/43/569294143.db2.gz WVXMZNBDZCJBFX-YGOYIFOWSA-N 1 1 427.928 4.620 40 0 IJABMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 ZINC000009158384 569294144 /nfs/dbraw/zinc/29/41/44/569294144.db2.gz WVXMZNBDZCJBFX-YGOYIFOWSA-N 1 1 427.928 4.620 40 0 IJABMO Fc1ccc(OCCc2cc([C@@H]3CCC[N@H+]3Cc3ccc4nccnc4c3)[nH]n2)cc1F ZINC000019695867 569326782 /nfs/dbraw/zinc/32/67/82/569326782.db2.gz RMKDOABBZQPXSX-DEOSSOPVSA-N 1 1 435.478 4.590 40 0 IJABMO C/C(=C\c1ccccc1)C[N@H+]1CCC[C@H](c2ncc(C(=O)NCc3ccccc3)c(C)n2)C1 ZINC000019763520 569328863 /nfs/dbraw/zinc/32/88/63/569328863.db2.gz UUVVAGFSTLWDDU-JYACYGOOSA-N 1 1 440.591 4.998 40 0 IJABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)ccc(-c5ccc(SC)cc5)c43)C2)cc1 ZINC000004258740 291391742 /nfs/dbraw/zinc/39/17/42/291391742.db2.gz HOGJZZWUPMUDRS-PZJWPPBQSA-N 1 1 432.589 4.865 40 0 biogenic,in-vitro IJABMO COc1ccc2[nH]c(=O)c(CNc3ccc([NH+]4CCCCC4)cc3)cc2c1Br ZINC000013564189 132350080 /nfs/dbraw/zinc/35/00/80/132350080.db2.gz OAGTVLWBVGJYSX-UHFFFAOYSA-N 1 1 442.357 4.902 40 0 IJABMO O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)[C@H]2C1 ZINC000012144165 526752242 /nfs/dbraw/zinc/75/22/42/526752242.db2.gz ICHSLBXTXRIIFR-XXBNENTESA-N 1 1 439.481 4.990 40 0 IJABMO O=C(O[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1)C(O)(c1ccccc1)c1ccccc1 ZINC000008628016 556193883 /nfs/dbraw/zinc/19/38/83/556193883.db2.gz PGZLDLPELYXORR-MQVOTRGWSA-N 1 1 427.544 4.644 40 0 IJABMO O=C(Nc1ccccc1C(=O)N1CCCCCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000030941745 556516202 /nfs/dbraw/zinc/51/62/02/556516202.db2.gz WLHPDKDPQRABSR-OAQYLSRUSA-N 1 1 437.559 4.693 40 0 IJABMO COc1cccc([C@@H]2c3cc4c(cc3O[C@H]([NH+]3CCCC3)[C@@H]2c2ccccc2)OCO4)c1O ZINC000031860895 556527062 /nfs/dbraw/zinc/52/70/62/556527062.db2.gz SXAHPUYYJNJKLC-SLQPCKNISA-N 1 1 445.515 4.860 40 0 IJABMO O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2 ZINC000019014691 556691800 /nfs/dbraw/zinc/69/18/00/556691800.db2.gz HBXKFOJACRACFF-JOCHJYFZSA-N 1 1 426.605 4.507 40 0 IJABMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(C)=O)c3nccs3)C2)cc1 ZINC000019020990 556693630 /nfs/dbraw/zinc/69/36/30/556693630.db2.gz QLGIEBAFAJBLPT-XUZZJYLKSA-N 1 1 435.593 4.908 40 0 IJABMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257229297 556708925 /nfs/dbraw/zinc/70/89/25/556708925.db2.gz FXNWDTIDERCVJW-NRFANRHFSA-N 1 1 438.587 4.823 40 0 IJABMO Cc1cccc(C[N@@H+]2CCC[C@@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)n1 ZINC000019236193 556720876 /nfs/dbraw/zinc/72/08/76/556720876.db2.gz VIRBOBNXBYOXGG-NDEPHWFRSA-N 1 1 442.607 4.802 40 0 IJABMO FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CC[N@@H+](Cc4ccncc4)C3)nn21 ZINC000019344234 556742080 /nfs/dbraw/zinc/74/20/80/556742080.db2.gz OJBRWNKSVQAHEX-HNNXBMFYSA-N 1 1 429.471 4.861 40 0 IJABMO COc1ccc([C@H]2[C@H]3CCCC[C@H]3[C@@H]2NC(=O)CCn2cc[nH+]c2C(C)C)cc1OC ZINC000019454493 556764970 /nfs/dbraw/zinc/76/49/70/556764970.db2.gz AUVGUNWYPCEHAH-PLWWPAAYSA-N 1 1 425.573 4.502 40 0 IJABMO CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCC[N@@H+](Cc2ccc(OC)c(CO)c2)C1 ZINC000019522014 556778920 /nfs/dbraw/zinc/77/89/20/556778920.db2.gz JUSLJYKMPXBNHA-HNNXBMFYSA-N 1 1 449.473 4.685 40 0 IJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371107 556783817 /nfs/dbraw/zinc/78/38/17/556783817.db2.gz GIKNDLOZCXRWCS-HSZRJFAPSA-N 1 1 432.568 4.663 40 0 IJABMO CCOc1ccc(C[NH+]2CCN(c3ncnc4c(-c5ccc(C)cc5)nsc43)CC2)cc1 ZINC000001370735 556792682 /nfs/dbraw/zinc/79/26/82/556792682.db2.gz ATDOTLCFGFTICG-UHFFFAOYSA-N 1 1 445.592 4.783 40 0 IJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375021 556792965 /nfs/dbraw/zinc/79/29/65/556792965.db2.gz FTPGQUYZXSITJO-QFIPXVFZSA-N 1 1 436.604 4.782 40 0 IJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375021 556792968 /nfs/dbraw/zinc/79/29/68/556792968.db2.gz FTPGQUYZXSITJO-QFIPXVFZSA-N 1 1 436.604 4.782 40 0 IJABMO COc1ccc([C@@H]2CN(C(=O)C3CCC3)[C@H]3CC[N@@H+](Cc4ccc(F)c(F)c4)C[C@@H]23)cc1 ZINC000019557304 556799797 /nfs/dbraw/zinc/79/97/97/556799797.db2.gz PPYJAXIAFCBSSY-HWBMXIPRSA-N 1 1 440.534 4.590 40 0 IJABMO COc1ccc(C[N@@H+](Cc2[nH]c3ccc(F)cc3c2C)C[C@@H]2CCCO2)c(OC)c1OC ZINC000019565422 556806299 /nfs/dbraw/zinc/80/62/99/556806299.db2.gz GUEHJZSSWCASIZ-IBGZPJMESA-N 1 1 442.531 4.822 40 0 IJABMO COc1ccc(C[N@H+](Cc2[nH]c3ccc(F)cc3c2C)C[C@@H]2CCCO2)c(OC)c1OC ZINC000019565422 556806302 /nfs/dbraw/zinc/80/63/02/556806302.db2.gz GUEHJZSSWCASIZ-IBGZPJMESA-N 1 1 442.531 4.822 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1OC ZINC000019568907 556808928 /nfs/dbraw/zinc/80/89/28/556808928.db2.gz ZWLQZTTUAMQSDP-CQSZACIVSA-N 1 1 435.446 4.947 40 0 IJABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006408981 556834726 /nfs/dbraw/zinc/83/47/26/556834726.db2.gz FNUAGFGHDLALKT-JOCHJYFZSA-N 1 1 448.615 4.714 40 0 IJABMO Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[N@H+]3CCCC4(CCCCC4)C3)cc2c1 ZINC000006408981 556834727 /nfs/dbraw/zinc/83/47/27/556834727.db2.gz FNUAGFGHDLALKT-JOCHJYFZSA-N 1 1 448.615 4.714 40 0 IJABMO Cc1nc(C[N@@H+](C)C2CCCCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698352 556856470 /nfs/dbraw/zinc/85/64/70/556856470.db2.gz GURWTBVPGFVIPN-UHFFFAOYSA-N 1 1 431.584 4.553 40 0 IJABMO Cc1nc(C[N@H+](C)C2CCCCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698352 556856474 /nfs/dbraw/zinc/85/64/74/556856474.db2.gz GURWTBVPGFVIPN-UHFFFAOYSA-N 1 1 431.584 4.553 40 0 IJABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761752 556905305 /nfs/dbraw/zinc/90/53/05/556905305.db2.gz LGUXFZCFSXMHDW-FQEVSTJZSA-N 1 1 433.600 4.757 40 0 IJABMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330519 556906176 /nfs/dbraw/zinc/90/61/76/556906176.db2.gz VYSXRRGDFPSZTF-XXBNENTESA-N 1 1 449.574 4.625 40 0 IJABMO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352377 556923945 /nfs/dbraw/zinc/92/39/45/556923945.db2.gz DVQRZAMNGNIJGS-INIZCTEOSA-N 1 1 439.556 4.607 40 0 IJABMO CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352377 556923947 /nfs/dbraw/zinc/92/39/47/556923947.db2.gz DVQRZAMNGNIJGS-INIZCTEOSA-N 1 1 439.556 4.607 40 0 IJABMO CC(=O)Nc1ccc(C[N@H+]2CCCCC[C@H]2Cc2c3ccccc3sc2C(N)=O)cc1 ZINC000072370748 556936378 /nfs/dbraw/zinc/93/63/78/556936378.db2.gz RTUYXPRNKPDULF-FQEVSTJZSA-N 1 1 435.593 4.946 40 0 IJABMO Fc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ccc5ncccc5c4)C3)[nH]n2)cc1F ZINC000072371482 556938988 /nfs/dbraw/zinc/93/89/88/556938988.db2.gz SKKKUVQDSOJMEJ-LJQANCHMSA-N 1 1 434.490 4.847 40 0 IJABMO Fc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4ccc5ncccc5c4)C3)n[nH]2)cc1F ZINC000072371482 556938990 /nfs/dbraw/zinc/93/89/90/556938990.db2.gz SKKKUVQDSOJMEJ-LJQANCHMSA-N 1 1 434.490 4.847 40 0 IJABMO Fc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4ccc5ncccc5c4)C3)n[nH]2)cc1F ZINC000072371482 556938992 /nfs/dbraw/zinc/93/89/92/556938992.db2.gz SKKKUVQDSOJMEJ-LJQANCHMSA-N 1 1 434.490 4.847 40 0 IJABMO COc1cccc(OC)c1C(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)cc(C)[nH+]1 ZINC000072372514 556942945 /nfs/dbraw/zinc/94/29/45/556942945.db2.gz PTFNOIMOBMTDIG-FQEVSTJZSA-N 1 1 432.524 4.832 40 0 IJABMO Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)c2c1 ZINC000072372753 556944164 /nfs/dbraw/zinc/94/41/64/556944164.db2.gz QYRVSFRGEBVJEH-NRFANRHFSA-N 1 1 430.487 4.830 40 0 IJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)COc2ccc(C(C)C)cc2Br)cc1 ZINC000019932432 556949437 /nfs/dbraw/zinc/94/94/37/556949437.db2.gz HCYIFOJUSVLDCI-UHFFFAOYSA-N 1 1 442.357 4.762 40 0 IJABMO COCCn1c(C)c(C[N@H+]2CCC[C@H]2c2cccc(Nc3ncccn3)n2)c2ccccc21 ZINC000072375780 556952881 /nfs/dbraw/zinc/95/28/81/556952881.db2.gz CXBXDJWBTQLUTE-DEOSSOPVSA-N 1 1 442.567 4.862 40 0 IJABMO O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585099961 557034467 /nfs/dbraw/zinc/03/44/67/557034467.db2.gz BIEYKFDKWZZFBW-XMMPIXPASA-N 1 1 430.951 4.905 40 0 IJABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2[C@@H](c3ccccc3)C[C@]3(C)[C@H]2CCC[C@H](O)[C@@H]3O)CC1 ZINC000585283324 557222807 /nfs/dbraw/zinc/22/28/07/557222807.db2.gz NFWNTLYKJDGYBV-LPKPSGCPSA-N 1 1 429.645 4.681 40 0 IJABMO O[C@]1(COc2ccc(F)c(Cl)c2)COCC[N@H+]([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585284337 557224080 /nfs/dbraw/zinc/22/40/80/557224080.db2.gz XAGFDKXYESYMJV-SKPFHBQLSA-N 1 1 433.951 4.648 40 0 IJABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@H+](C)C3CCCCC3)cc2c1 ZINC000057589540 557249885 /nfs/dbraw/zinc/24/98/85/557249885.db2.gz XKMNRCLARMSCET-JOCHJYFZSA-N 1 1 436.604 4.576 40 0 IJABMO CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000057589540 557249888 /nfs/dbraw/zinc/24/98/88/557249888.db2.gz XKMNRCLARMSCET-JOCHJYFZSA-N 1 1 436.604 4.576 40 0 IJABMO FC(F)(F)c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)nc2ncnn21 ZINC000057763008 557262051 /nfs/dbraw/zinc/26/20/51/557262051.db2.gz JUINIKIZNZQYDJ-LBPRGKRZSA-N 1 1 430.261 4.830 40 0 IJABMO FC(F)(F)c1cc([C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)nc2ncnn21 ZINC000057763008 557262057 /nfs/dbraw/zinc/26/20/57/557262057.db2.gz JUINIKIZNZQYDJ-LBPRGKRZSA-N 1 1 430.261 4.830 40 0 IJABMO Cc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1Cl ZINC000102407328 557301866 /nfs/dbraw/zinc/30/18/66/557301866.db2.gz PYURVFYGFOFLFG-LJQANCHMSA-N 1 1 439.968 4.770 40 0 IJABMO Cc1ccc2[nH]c(=O)c(C[N@H+]([C@H](c3nnnn3C(C)(C)C)C(C)C)C3CCCC3)cc2c1 ZINC000013500280 557323957 /nfs/dbraw/zinc/32/39/57/557323957.db2.gz ISWOASVLDXGALB-QFIPXVFZSA-N 1 1 436.604 4.720 40 0 IJABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000013499274 557328620 /nfs/dbraw/zinc/32/86/20/557328620.db2.gz XYEAINNZBUVRGI-QFIPXVFZSA-N 1 1 436.604 4.864 40 0 IJABMO C[C@@H](NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCCO2 ZINC000222656442 557369385 /nfs/dbraw/zinc/36/93/85/557369385.db2.gz JAKGMNLQPZPHFG-LJQANCHMSA-N 1 1 428.532 4.507 40 0 IJABMO CC(C)[N@H+]1CCC[C@H](c2cccc(CC3(C(=O)NCCc4ccccc4)CCOCC3)c2)C1 ZINC000072372245 557388466 /nfs/dbraw/zinc/38/84/66/557388466.db2.gz KQDWKMACJWGCBB-MHZLTWQESA-N 1 1 448.651 4.973 40 0 IJABMO O=C(Nc1nnc(-c2ccccc2)s1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000223026177 557416989 /nfs/dbraw/zinc/41/69/89/557416989.db2.gz IUQWHLCANFZKNZ-UHFFFAOYSA-N 1 1 430.936 4.848 40 0 IJABMO COc1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000223249070 557451062 /nfs/dbraw/zinc/45/10/62/557451062.db2.gz FLBRNFZLDMBLTE-UHFFFAOYSA-N 1 1 428.576 4.870 40 0 IJABMO C[C@@H]1CCCC[N@H+]1C[C@@]1(C)COc2c(Br)cc(Br)cc2C1=O ZINC000016608973 557474942 /nfs/dbraw/zinc/47/49/42/557474942.db2.gz LPOZMPDPRTXQTO-DIFFPNOSSA-N 1 1 431.168 4.667 40 0 IJABMO CCn1c(=O)sc2cc(NC(=O)C3CC[NH+](Cc4c(F)cccc4Cl)CC3)ccc21 ZINC000225111141 557688559 /nfs/dbraw/zinc/68/85/59/557688559.db2.gz HRLYGCAPAMLOEB-UHFFFAOYSA-N 1 1 447.963 4.726 40 0 IJABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 ZINC000225548392 557740461 /nfs/dbraw/zinc/74/04/61/557740461.db2.gz XKKZROFSXHPLBX-UHFFFAOYSA-N 1 1 440.559 4.767 40 0 IJABMO O=C(NCCCNc1ccnc2cc(Cl)ccc21)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000225902190 557789551 /nfs/dbraw/zinc/78/95/51/557789551.db2.gz BMVHSNLKXVZXQP-HXUWFJFHSA-N 1 1 436.987 4.719 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCC[N@@H+]3Cc3ccccc3C)nn2c1C ZINC000257219696 568674460 /nfs/dbraw/zinc/67/44/60/568674460.db2.gz DHTKOXXOPSNTLR-RUZDIDTESA-N 1 1 447.627 4.841 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCC[N@H+]3Cc3ccccc3C)nn2c1C ZINC000257219696 568674463 /nfs/dbraw/zinc/67/44/63/568674463.db2.gz DHTKOXXOPSNTLR-RUZDIDTESA-N 1 1 447.627 4.841 40 0 IJABMO CCc1c(C[N@@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc2n1C ZINC000257252057 568689692 /nfs/dbraw/zinc/68/96/92/568689692.db2.gz JTJLRARUQRWCEQ-OAQYLSRUSA-N 1 1 433.577 4.628 40 0 IJABMO CCc1c(C[N@H+]2CCO[C@@H](c3c4ccccc4sc3C(N)=O)C2)c2ccccc2n1C ZINC000257252057 568689693 /nfs/dbraw/zinc/68/96/93/568689693.db2.gz JTJLRARUQRWCEQ-OAQYLSRUSA-N 1 1 433.577 4.628 40 0 IJABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@@H+](CC(=O)N(C)C4CCCCC4)C3)nc2)c1 ZINC000257253441 568690202 /nfs/dbraw/zinc/69/02/02/568690202.db2.gz JYYIGRKVFBXIBW-HSZRJFAPSA-N 1 1 435.612 4.652 40 0 IJABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)cc1CO ZINC000257323329 568721717 /nfs/dbraw/zinc/72/17/17/568721717.db2.gz WJSFLGLHUGIOFO-IBGZPJMESA-N 1 1 438.597 4.861 40 0 IJABMO Cc1cccn2cc(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCCC[C@H]5[N@@H+](C)[C@@H]4Cc3ccccc3)nc12 ZINC000257331302 568724957 /nfs/dbraw/zinc/72/49/57/568724957.db2.gz XSGNFGYPQVNMJC-KAUKRTNFSA-N 1 1 442.607 4.731 40 0 IJABMO Cc1nc([C@]2(O)CCC[N@@H+](CCc3ccccc3)CC2)sc1CCOc1ccccc1 ZINC000019738738 568752417 /nfs/dbraw/zinc/75/24/17/568752417.db2.gz AVQSDBIRBJCDLB-SANMLTNESA-N 1 1 436.621 4.989 40 0 IJABMO CCc1cc([C@H](c2cccc(OC)c2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001235993 568885900 /nfs/dbraw/zinc/88/59/00/568885900.db2.gz PMZANMIIAKZVIC-DEOSSOPVSA-N 1 1 449.620 4.908 40 0 IJABMO COc1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)cc1OC ZINC000247915630 569206565 /nfs/dbraw/zinc/20/65/65/569206565.db2.gz MFFBDBNJEMASCK-UIOOFZCWSA-N 1 1 430.592 4.894 40 0 IJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000253608770 569209248 /nfs/dbraw/zinc/20/92/48/569209248.db2.gz PWZBKINEXBLNDF-QKLQHJQFSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)Nc4ccc(C)cc4C)C3)cc2N1 ZINC000253608770 569209249 /nfs/dbraw/zinc/20/92/49/569209249.db2.gz PWZBKINEXBLNDF-QKLQHJQFSA-N 1 1 449.521 4.626 40 0 IJABMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(-c4ccc(F)cc4)c3)C2)ncc1C(=O)N(C)C ZINC000019763398 569238047 /nfs/dbraw/zinc/23/80/47/569238047.db2.gz RMAGXIVUHGKFLB-JOCHJYFZSA-N 1 1 432.543 4.673 40 0 IJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)CC1 ZINC000020241856 569241399 /nfs/dbraw/zinc/24/13/99/569241399.db2.gz KTVRWPOAJPOYCU-UHFFFAOYSA-N 1 1 435.955 4.923 40 0 IJABMO COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855474 569249321 /nfs/dbraw/zinc/24/93/21/569249321.db2.gz VAOLLWUNFIZNCR-PGRDOPGGSA-N 1 1 442.987 4.979 40 0 IJABMO COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855473 569249338 /nfs/dbraw/zinc/24/93/38/569249338.db2.gz VAOLLWUNFIZNCR-AVRDEDQJSA-N 1 1 442.987 4.979 40 0 IJABMO CCS(=O)(=O)c1ccc2oc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000049169140 291389759 /nfs/dbraw/zinc/38/97/59/291389759.db2.gz DUFCDONSDHASKW-HNNXBMFYSA-N 1 1 438.471 4.630 40 0 biogenic,in-vitro IJABMO COc1cc(CNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)ccc1OC(C)C ZINC000044905318 522435102 /nfs/dbraw/zinc/43/51/02/522435102.db2.gz JOIQFRYNXDMVFH-UHFFFAOYSA-N 1 1 444.575 4.971 40 0 IJABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408578177 555929532 /nfs/dbraw/zinc/92/95/32/555929532.db2.gz WLRRGEZYPJXIIP-UHFFFAOYSA-N 1 1 439.408 4.894 40 0 IJABMO O=C(CN1CCCCC1)c1ccc(CCc2ccc(C(=O)C[NH+]3CCCCC3)cc2)cc1 ZINC000004808243 556012789 /nfs/dbraw/zinc/01/27/89/556012789.db2.gz VUTCSSGRKAOLAL-UHFFFAOYSA-N 1 1 432.608 4.809 40 0 IJABMO CN(C)c1ccc(CC(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)cc1 ZINC000012088130 556401241 /nfs/dbraw/zinc/40/12/41/556401241.db2.gz PSIXLHYYFGUKDW-HXUWFJFHSA-N 1 1 433.600 4.559 40 0 IJABMO COc1cc(CNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)ccc1OC(C)C ZINC000039752599 556438764 /nfs/dbraw/zinc/43/87/64/556438764.db2.gz GGVXIGQAUJYDRK-UHFFFAOYSA-N 1 1 448.966 4.803 40 0 IJABMO Cc1ccc(SCCNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000038836703 556623373 /nfs/dbraw/zinc/62/33/73/556623373.db2.gz LLPHRIKGNCSDIA-UHFFFAOYSA-N 1 1 447.442 4.878 40 0 IJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1Cl ZINC000038850239 556624514 /nfs/dbraw/zinc/62/45/14/556624514.db2.gz WDMAIXLVYLUOCD-UHFFFAOYSA-N 1 1 437.765 4.962 40 0 IJABMO O=C(NCCSCc1ccco1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044786533 556667646 /nfs/dbraw/zinc/66/76/46/556667646.db2.gz CAPYSIOISGIYNI-UHFFFAOYSA-N 1 1 427.397 4.848 40 0 IJABMO COc1ccccc1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044906648 556680130 /nfs/dbraw/zinc/68/01/30/556680130.db2.gz SBNQRUKJBCTAEV-UHFFFAOYSA-N 1 1 435.395 4.963 40 0 IJABMO c1cnc(Oc2cccc(C[N@@H+]3CCOC[C@@H](Cc4ccc5ncccc5c4)C3)c2)nc1 ZINC000257339035 556706823 /nfs/dbraw/zinc/70/68/23/556706823.db2.gz YZXRILIUYILXCQ-QFIPXVFZSA-N 1 1 426.520 4.508 40 0 IJABMO O=C1O[C@@]2(CC[N@@H+](Cc3ccccc3OCc3cccnc3)C2)CN1c1cccc(Cl)c1 ZINC000257297598 556717130 /nfs/dbraw/zinc/71/71/30/556717130.db2.gz RHZNZOFGGZRJQF-RUZDIDTESA-N 1 1 449.938 4.915 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCCO1 ZINC000019400530 556753105 /nfs/dbraw/zinc/75/31/05/556753105.db2.gz KMZXNDXAHDIQCF-BULFRSBZSA-N 1 1 448.394 4.637 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCCO1 ZINC000019400530 556753110 /nfs/dbraw/zinc/75/31/10/556753110.db2.gz KMZXNDXAHDIQCF-BULFRSBZSA-N 1 1 448.394 4.637 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1cccc(F)c1 ZINC000019400713 556753493 /nfs/dbraw/zinc/75/34/93/556753493.db2.gz RBWMPGWABNAJDZ-YADARESESA-N 1 1 439.481 4.882 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1cccc(F)c1 ZINC000019400713 556753499 /nfs/dbraw/zinc/75/34/99/556753499.db2.gz RBWMPGWABNAJDZ-YADARESESA-N 1 1 439.481 4.882 40 0 IJABMO COc1cc(C)c(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1C ZINC000019567339 556807507 /nfs/dbraw/zinc/80/75/07/556807507.db2.gz NOBACTHCBNOOOD-HSZRJFAPSA-N 1 1 431.584 4.957 40 0 IJABMO Cc1nc2cc(C)ccn2c1C[N@@H+]1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 ZINC000019689760 556844872 /nfs/dbraw/zinc/84/48/72/556844872.db2.gz QBUGKYJFQCWPBH-QFIPXVFZSA-N 1 1 444.558 4.950 40 0 IJABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cn1 ZINC000019690231 556845705 /nfs/dbraw/zinc/84/57/05/556845705.db2.gz LEGWTSDBPHXMLJ-JOCHJYFZSA-N 1 1 436.987 4.684 40 0 IJABMO Cc1nc(C[N@H+](C)C[C@H]2CC=CCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698416 556856364 /nfs/dbraw/zinc/85/63/64/556856364.db2.gz PYELUKDAANUFKJ-FQEVSTJZSA-N 1 1 443.595 4.576 40 0 IJABMO Cc1nc(C[N@@H+](C)C[C@H]2CC=CCC2)nc2c1CCC(=O)N2CCc1c[nH]c2ccccc12 ZINC000019698416 556856367 /nfs/dbraw/zinc/85/63/67/556856367.db2.gz PYELUKDAANUFKJ-FQEVSTJZSA-N 1 1 443.595 4.576 40 0 IJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]2c2cc(CCOc3ccc(F)c(F)c3)n[nH]2)cc1 ZINC000019703647 556862166 /nfs/dbraw/zinc/86/21/66/556862166.db2.gz BQAKQUBXLPJSAC-DEOSSOPVSA-N 1 1 440.494 4.605 40 0 IJABMO Cc1nn(C(C)C)c(C)c1C[N@@H+]1CC[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761750 556905358 /nfs/dbraw/zinc/90/53/58/556905358.db2.gz LGUXFZCFSXMHDW-HXUWFJFHSA-N 1 1 433.600 4.757 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)c1 ZINC000072330504 556906219 /nfs/dbraw/zinc/90/62/19/556906219.db2.gz BVIJHVMBGZKGKJ-OFVILXPXSA-N 1 1 433.527 4.613 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc1 ZINC000072330506 556906227 /nfs/dbraw/zinc/90/62/27/556906227.db2.gz JWGROBAGJQJLRC-OFVILXPXSA-N 1 1 433.527 4.613 40 0 IJABMO COc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccc(Nc3cccc(C)n3)cn1)OCCO2 ZINC000072353195 556926050 /nfs/dbraw/zinc/92/60/50/556926050.db2.gz HDVLHJGCMPRERQ-OAQYLSRUSA-N 1 1 432.524 4.646 40 0 IJABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc(Nc3cccc(C)n3)cn1)OCCO2 ZINC000072353195 556926053 /nfs/dbraw/zinc/92/60/53/556926053.db2.gz HDVLHJGCMPRERQ-OAQYLSRUSA-N 1 1 432.524 4.646 40 0 IJABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359814 556932825 /nfs/dbraw/zinc/93/28/25/556932825.db2.gz VGJSBKXDNVLWNU-KRWDZBQOSA-N 1 1 427.474 4.979 40 0 IJABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)c3ccc4c(c3)OCCO4)c2)s1 ZINC000072372506 556942940 /nfs/dbraw/zinc/94/29/40/556942940.db2.gz WKNUSTPZKBEVCK-IBGZPJMESA-N 1 1 436.537 4.647 40 0 IJABMO COc1ccc2c(c1)C=C(C(=O)N1CCC[C@@H]1c1cc(Nc3ccccn3)cc(C)[nH+]1)CO2 ZINC000072372599 556943483 /nfs/dbraw/zinc/94/34/83/556943483.db2.gz GYSSVTAVEWYBLO-HSZRJFAPSA-N 1 1 442.519 4.677 40 0 IJABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)n1 ZINC000072372744 556944146 /nfs/dbraw/zinc/94/41/46/556944146.db2.gz SRPVZFLWBRUTSV-SFHVURJKSA-N 1 1 440.573 4.701 40 0 IJABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ccccn1 ZINC000072380083 556957654 /nfs/dbraw/zinc/95/76/54/556957654.db2.gz ZEVNJLKQRCVQTP-FQEVSTJZSA-N 1 1 437.609 4.660 40 0 IJABMO C[NH2+]Cc1nc(C)c2c(n1)N(CCc1cn(CC3CCCCC3)c3ccccc13)C(=O)CC2 ZINC000072380167 556957877 /nfs/dbraw/zinc/95/78/77/556957877.db2.gz GVKFFRMJBJOMCY-UHFFFAOYSA-N 1 1 445.611 4.561 40 0 IJABMO Cc1cc(C[C@@H]2COC[C@H]2[N@H+](Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000072395074 556966394 /nfs/dbraw/zinc/96/63/94/556966394.db2.gz SUNVYOVPRFGJIX-XMSQKQJNSA-N 1 1 432.351 4.945 40 0 IJABMO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)on1 ZINC000072395074 556966396 /nfs/dbraw/zinc/96/63/96/556966396.db2.gz SUNVYOVPRFGJIX-XMSQKQJNSA-N 1 1 432.351 4.945 40 0 IJABMO COc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2c1 ZINC000072398596 556970414 /nfs/dbraw/zinc/97/04/14/556970414.db2.gz GJFHNYWRROEXLQ-NLFFAJNJSA-N 1 1 446.595 4.754 40 0 IJABMO Cc1ccc(N2C(=O)C[C@H]([NH+]3CCC(c4nc5ccccc5s4)CC3)C2=O)cc1Cl ZINC000020395313 557013451 /nfs/dbraw/zinc/01/34/51/557013451.db2.gz PYURVFYGFOFLFG-IBGZPJMESA-N 1 1 439.968 4.770 40 0 IJABMO CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000216462520 557147064 /nfs/dbraw/zinc/14/70/64/557147064.db2.gz NOOCEUWFQZQAIK-RUZDIDTESA-N 1 1 432.539 4.917 40 0 IJABMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1 ZINC000096315925 557198490 /nfs/dbraw/zinc/19/84/90/557198490.db2.gz RICPGCUGDSLSLZ-DEOSSOPVSA-N 1 1 444.583 4.599 40 0 IJABMO C[NH+]1CCC(Oc2ccc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)cc2)CC1 ZINC000219413185 557243521 /nfs/dbraw/zinc/24/35/21/557243521.db2.gz YQHPPDNQPIYMFE-UHFFFAOYSA-N 1 1 442.003 4.664 40 0 IJABMO CN(CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 ZINC000219417309 557243878 /nfs/dbraw/zinc/24/38/78/557243878.db2.gz DURPZQSDTUUPAO-UHFFFAOYSA-N 1 1 434.411 4.848 40 0 IJABMO COc1ccc(CN(CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@@H]2C)C(C)=O)cc1OC ZINC000013475988 557322235 /nfs/dbraw/zinc/32/22/35/557322235.db2.gz XQWITZSWWXOLEV-NOMHHCBYSA-N 1 1 438.612 4.741 40 0 IJABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 ZINC000013500131 557329970 /nfs/dbraw/zinc/32/99/70/557329970.db2.gz KDRDXBFAHSAMQI-JOCHJYFZSA-N 1 1 436.604 4.864 40 0 IJABMO CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCC[N@H+]3Cc3ccccc3)cn2)CC1 ZINC000072216429 557343009 /nfs/dbraw/zinc/34/30/09/557343009.db2.gz OJWANKZRSCRGDO-HSZRJFAPSA-N 1 1 436.600 4.866 40 0 IJABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000222716506 557378550 /nfs/dbraw/zinc/37/85/50/557378550.db2.gz NYJJXZBJQDAXRJ-OAHLLOKOSA-N 1 1 449.378 4.854 40 0 IJABMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1 ZINC000017100029 557483940 /nfs/dbraw/zinc/48/39/40/557483940.db2.gz KYOPFVKWNUIGNP-UHFFFAOYSA-N 1 1 436.383 4.931 40 0 IJABMO CC[NH+]1CCN(C(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000224955699 557670999 /nfs/dbraw/zinc/67/09/99/557670999.db2.gz NBDHBMSDPKIBFB-UHFFFAOYSA-N 1 1 440.341 4.549 40 0 IJABMO Cc1cccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@@H](C)C4)cc3)CCOCC2)c1 ZINC000225566733 557743402 /nfs/dbraw/zinc/74/34/02/557743402.db2.gz JSDQSUNKDQDPCK-JOCHJYFZSA-N 1 1 436.596 4.793 40 0 IJABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCCC[C@@H]4C)cc3)CCOCC2)cc1 ZINC000225569064 557744078 /nfs/dbraw/zinc/74/40/78/557744078.db2.gz JUPXBDALNKSZCK-QFIPXVFZSA-N 1 1 436.596 4.935 40 0 IJABMO C[C@H]1CCCC[N@H+]1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1 ZINC000225571527 557744595 /nfs/dbraw/zinc/74/45/95/557744595.db2.gz IHZHTRKYTMQLBF-FQEVSTJZSA-N 1 1 440.559 4.766 40 0 IJABMO O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225571956 557744871 /nfs/dbraw/zinc/74/48/71/557744871.db2.gz QCUAVKGPAZFYFP-INIZCTEOSA-N 1 1 430.936 4.848 40 0 IJABMO O=C(NCCSCc1ccccc1F)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225581907 557746772 /nfs/dbraw/zinc/74/67/72/557746772.db2.gz HWAAQYUUTBVEPU-UHFFFAOYSA-N 1 1 438.971 4.880 40 0 IJABMO Cc1nccn1-c1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1 ZINC000225583031 557746942 /nfs/dbraw/zinc/74/69/42/557746942.db2.gz LSCFNNMWOSBPNE-UHFFFAOYSA-N 1 1 440.950 4.502 40 0 IJABMO Cc1ccc(OC[C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)cc1C ZINC000225589462 557748457 /nfs/dbraw/zinc/74/84/57/557748457.db2.gz LHRGPFHSMFWEID-SFHVURJKSA-N 1 1 432.967 4.892 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)nc(C)c1CC(=O)NC1CCCCC1 ZINC000257252170 568689532 /nfs/dbraw/zinc/68/95/32/568689532.db2.gz JTUQUSBFLDRRAI-NRFANRHFSA-N 1 1 438.591 4.604 40 0 IJABMO Cc1nc([C@@H]2CC[N@@H+](CC3CCCCC3)C2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000257274913 568700118 /nfs/dbraw/zinc/70/01/18/568700118.db2.gz NNEQYKRGOHNZQN-HSZRJFAPSA-N 1 1 432.612 4.677 40 0 IJABMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000019083500 569226145 /nfs/dbraw/zinc/22/61/45/569226145.db2.gz DCRAEIHXTNGAGT-UYAOXDASSA-N 1 1 437.613 4.547 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CC[C@@](Cc2cc(C3CCCCC3)no2)(C(=O)N(C)C)C1 ZINC000019739239 569236634 /nfs/dbraw/zinc/23/66/34/569236634.db2.gz RYTKHLJGMNEMON-SANMLTNESA-N 1 1 439.600 4.562 40 0 IJABMO Fc1ccc(OCCc2cc([C@H]3CCC[N@H+]3Cc3ccc4nccnc4c3)[nH]n2)cc1F ZINC000019695868 569326718 /nfs/dbraw/zinc/32/67/18/569326718.db2.gz RMKDOABBZQPXSX-XMMPIXPASA-N 1 1 435.478 4.590 40 0 IJABMO CC[N@@H+](Cc1cnn(-c2ccc(C)cc2)c1)[C@@H]1CCO[C@H](c2ccc(C(=O)N(C)C)cc2)C1 ZINC000019712701 569327681 /nfs/dbraw/zinc/32/76/81/569327681.db2.gz DHCDXFSVKOHYGR-FTJBHMTQSA-N 1 1 446.595 4.625 40 0 IJABMO COc1ccccc1NC(=O)c1cnc([C@H]2CCCC[N@H+]2CCc2ccccc2)nc1C ZINC000019753458 569328613 /nfs/dbraw/zinc/32/86/13/569328613.db2.gz OKFOMXYPQCBUPU-HSZRJFAPSA-N 1 1 430.552 4.816 40 0 IJABMO COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC000019767071 569329167 /nfs/dbraw/zinc/32/91/67/569329167.db2.gz UPDUXLAVXJGGGR-XMMPIXPASA-N 1 1 448.542 4.590 40 0 IJABMO COc1ccc(CNC(=O)c2cnc(C)nc2[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC000019767071 569329169 /nfs/dbraw/zinc/32/91/69/569329169.db2.gz UPDUXLAVXJGGGR-XMMPIXPASA-N 1 1 448.542 4.590 40 0 IJABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)n1 ZINC000019766696 569329254 /nfs/dbraw/zinc/32/92/54/569329254.db2.gz HGVCMMZACGAFPW-RUZDIDTESA-N 1 1 437.547 4.600 40 0 IJABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@@H+]3Cc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000035425113 521749488 /nfs/dbraw/zinc/74/94/88/521749488.db2.gz GNDYSZFXGSVOSH-IBGZPJMESA-N 1 1 448.445 4.513 40 0 biogenic,in-vitro IJABMO COCCOc1ccnc(-c2noc([C@@H]3CCC[N@H+]3Cc3ccc(C(F)(F)F)cc3)n2)c1 ZINC000035425113 521749493 /nfs/dbraw/zinc/74/94/93/521749493.db2.gz GNDYSZFXGSVOSH-IBGZPJMESA-N 1 1 448.445 4.513 40 0 biogenic,in-vitro IJABMO CC[C@H](OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000034930423 522858492 /nfs/dbraw/zinc/85/84/92/522858492.db2.gz WJDHCLOFZSSEQT-IZLXSDGUSA-N 1 1 444.619 4.922 40 0 IJABMO Cc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3[C@@H](C)CC(=O)Nc3ccccc3)cc2n1 ZINC000012230694 524206119 /nfs/dbraw/zinc/20/61/19/524206119.db2.gz DILBGUOOQLGLQX-MAUKXSAKSA-N 1 1 431.462 4.611 40 0 IJABMO COc1cccc(C(=S)N2CC[NH+](C)CC2)c1OCc1c(Cl)cccc1Cl ZINC000408573240 555923373 /nfs/dbraw/zinc/92/33/73/555923373.db2.gz JIWALPFCKXGYII-UHFFFAOYSA-N 1 1 425.381 4.504 40 0 IJABMO CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000030942500 556516333 /nfs/dbraw/zinc/51/63/33/556516333.db2.gz ULDYQHIUMJDRLN-GOSISDBHSA-N 1 1 427.976 4.719 40 0 IJABMO C[C@@H](Cc1ccccc1)[N@@H+](C)CCCN1c2ccccc2N(C)S(=O)(=O)c2ccccc21 ZINC000033854782 556568717 /nfs/dbraw/zinc/56/87/17/556568717.db2.gz FYVHKPBTSMGGBG-NRFANRHFSA-N 1 1 449.620 4.916 40 0 in-man IJABMO COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@@H]2CCC[N@H+]21 ZINC000015971907 556570112 /nfs/dbraw/zinc/57/01/12/556570112.db2.gz PGYPRCDEEGWUJY-MGDCHWCSSA-N 1 1 438.527 4.604 40 0 IJABMO O=C(NCCSc1ccccc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038836559 556623399 /nfs/dbraw/zinc/62/33/99/556623399.db2.gz XVTPALQBCVLXPK-UHFFFAOYSA-N 1 1 433.415 4.570 40 0 IJABMO O=C(NCCSCc1ccccc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000038837073 556623431 /nfs/dbraw/zinc/62/34/31/556623431.db2.gz ZZQIXUSBJPVHPZ-UHFFFAOYSA-N 1 1 447.442 4.711 40 0 IJABMO O=C(NCCSCc1c(F)cccc1Cl)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000038853334 556625359 /nfs/dbraw/zinc/62/53/59/556625359.db2.gz MILDUQJUPZVTOR-QGZVFWFLSA-N 1 1 438.971 4.880 40 0 IJABMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038857265 556626123 /nfs/dbraw/zinc/62/61/23/556626123.db2.gz VFKSGVWILBPPRT-IBGZPJMESA-N 1 1 432.395 4.554 40 0 IJABMO CCOC(=O)c1c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000038857814 556626149 /nfs/dbraw/zinc/62/61/49/556626149.db2.gz JOECXCRWQUUTGX-QGZVFWFLSA-N 1 1 444.572 4.793 40 0 IJABMO COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855471 556671671 /nfs/dbraw/zinc/67/16/71/556671671.db2.gz VAOLLWUNFIZNCR-GCJKJVERSA-N 1 1 442.987 4.979 40 0 IJABMO CC[C@H](NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1)c1ccc(OC)c(OC)c1 ZINC000044856845 556672624 /nfs/dbraw/zinc/67/26/24/556672624.db2.gz KLFDLRGMHZMKLF-NRFANRHFSA-N 1 1 448.966 4.976 40 0 IJABMO COc1cccc(C[N@H+]2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)c1OC ZINC000019081641 556696361 /nfs/dbraw/zinc/69/63/61/556696361.db2.gz JORJWHCAZNVYIS-NJDAHSKKSA-N 1 1 442.625 4.628 40 0 IJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000019234968 556719416 /nfs/dbraw/zinc/71/94/16/556719416.db2.gz BSULTUGJESCVLW-NVQXNPDNSA-N 1 1 429.564 4.782 40 0 IJABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019292917 556732553 /nfs/dbraw/zinc/73/25/53/556732553.db2.gz ZUNBFZSHAJXLFP-QGZVFWFLSA-N 1 1 445.350 4.686 40 0 IJABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)c(Cl)c3)C2)no1 ZINC000019292917 556732557 /nfs/dbraw/zinc/73/25/57/556732557.db2.gz ZUNBFZSHAJXLFP-QGZVFWFLSA-N 1 1 445.350 4.686 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1)c1cccs1 ZINC000019400578 556753229 /nfs/dbraw/zinc/75/32/29/556753229.db2.gz BDSNDCCWSDDRFK-HTAPYJJXSA-N 1 1 427.520 4.805 40 0 IJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)cc12 ZINC000000926965 556753840 /nfs/dbraw/zinc/75/38/40/556753840.db2.gz UQCINKNZPGCNKE-UHFFFAOYSA-N 1 1 448.615 4.972 40 0 IJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)cc12 ZINC000000926965 556753843 /nfs/dbraw/zinc/75/38/43/556753843.db2.gz UQCINKNZPGCNKE-UHFFFAOYSA-N 1 1 448.615 4.972 40 0 IJABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019449538 556760403 /nfs/dbraw/zinc/76/04/03/556760403.db2.gz VJSOBMQWJDJEFB-HHHXNRCGSA-N 1 1 431.555 4.847 40 0 IJABMO CC(C)c1ccc(C[N@H+]2CCC[C@@](Cc3ccccc3-c3cncnc3)(C(N)=O)C2)cc1 ZINC000019453206 556763896 /nfs/dbraw/zinc/76/38/96/556763896.db2.gz MFQMLPUZMBUBED-MHZLTWQESA-N 1 1 428.580 4.577 40 0 IJABMO CC(C)n1cc(C[N@H+]2C[C@@H](c3cccnc3)[C@]3(C2)CCCCC(=O)N3)c2ccc(F)cc21 ZINC000019454777 556765032 /nfs/dbraw/zinc/76/50/32/556765032.db2.gz GSUKSLRSMRUDGM-JYFHCDHNSA-N 1 1 434.559 4.785 40 0 IJABMO C[C@@H](C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2)c1ccccc1 ZINC000019459286 556767147 /nfs/dbraw/zinc/76/71/47/556767147.db2.gz UDSKOHHIQQRQEL-DVECYGJZSA-N 1 1 448.611 4.730 40 0 IJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(C)c1 ZINC000001325917 556771659 /nfs/dbraw/zinc/77/16/59/556771659.db2.gz NRXHZPGMTFOIGB-QHCPKHFHSA-N 1 1 448.636 4.828 40 0 IJABMO COc1cccc2ccc(C[N@H+]3CCC[C@H](c4cc(C(=O)NC5CCCCC5)on4)C3)nc21 ZINC000019568454 556808465 /nfs/dbraw/zinc/80/84/65/556808465.db2.gz CHMXAXZWTBLSFG-IBGZPJMESA-N 1 1 448.567 4.674 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@@](O)(c3ccc(F)cc3)CC2)cc1Cn1nc(C)cc1C ZINC000019574430 556814477 /nfs/dbraw/zinc/81/44/77/556814477.db2.gz JCIMSGXIHQPVOI-SANMLTNESA-N 1 1 437.559 4.570 40 0 IJABMO C[NH+](C)[C@@H](C(=O)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1)c1ccc(F)cc1 ZINC000019581573 556819586 /nfs/dbraw/zinc/81/95/86/556819586.db2.gz RKQDOCOIOSHCNC-YCRPNKLZSA-N 1 1 448.464 4.730 40 0 IJABMO COc1cccc(-c2cccc(C[N@@H+]3CCCC[C@H]3c3ncc(C(=O)N(C)C)c(C)n3)c2)c1 ZINC000019765574 556910383 /nfs/dbraw/zinc/91/03/83/556910383.db2.gz MEXCTLFVTPLPGA-VWLOTQADSA-N 1 1 444.579 4.890 40 0 IJABMO COc1cccc(-c2cccc(C[N@H+]3CCCC[C@H]3c3ncc(C(=O)N(C)C)c(C)n3)c2)c1 ZINC000019765574 556910384 /nfs/dbraw/zinc/91/03/84/556910384.db2.gz MEXCTLFVTPLPGA-VWLOTQADSA-N 1 1 444.579 4.890 40 0 IJABMO Cc1cc2nc([C@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)cc(C(F)(F)F)n2n1 ZINC000072340877 556912849 /nfs/dbraw/zinc/91/28/49/556912849.db2.gz AQYACIRDNWGLNP-KRWDZBQOSA-N 1 1 425.458 4.984 40 0 IJABMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000072341452 556913728 /nfs/dbraw/zinc/91/37/28/556913728.db2.gz DCRAEIHXTNGAGT-ICSRJNTNSA-N 1 1 437.613 4.547 40 0 IJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1ccccc1 ZINC000072341450 556913797 /nfs/dbraw/zinc/91/37/97/556913797.db2.gz KRQQDLYWYYICOX-NQIIRXRSSA-N 1 1 427.520 4.805 40 0 IJABMO O=C(N[C@H](c1nccs1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1ccccc1 ZINC000072341450 556913799 /nfs/dbraw/zinc/91/37/99/556913799.db2.gz KRQQDLYWYYICOX-NQIIRXRSSA-N 1 1 427.520 4.805 40 0 IJABMO COCc1cc(C[N@H+]2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)ccc1OC(C)C ZINC000072353475 556926907 /nfs/dbraw/zinc/92/69/07/556926907.db2.gz ZFUXQASAYAWBLN-OAQYLSRUSA-N 1 1 447.583 4.928 40 0 IJABMO Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000072353748 556928092 /nfs/dbraw/zinc/92/80/92/556928092.db2.gz URBWSSYCZGMNDI-LJQANCHMSA-N 1 1 429.568 4.522 40 0 IJABMO CCn1c(C[N@H+]2CCC[C@@H]2Cc2c3ccccc3sc2C(=O)NC)nc2ccccc21 ZINC000072370351 556934653 /nfs/dbraw/zinc/93/46/53/556934653.db2.gz MJWOMNTXDYHIRQ-QGZVFWFLSA-N 1 1 432.593 4.838 40 0 IJABMO Cc1cccc(CNC(=O)C2(Cc3cccc([C@@H]4CCC[N@H+](C(C)C)C4)c3)CCOCC2)n1 ZINC000072372267 556941966 /nfs/dbraw/zinc/94/19/66/556941966.db2.gz URYSSRJTFMPEFB-RUZDIDTESA-N 1 1 449.639 4.634 40 0 IJABMO CCOC(=O)C1(Cc2cc(-c3cccc(C)c3)no2)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000072393962 556965324 /nfs/dbraw/zinc/96/53/24/556965324.db2.gz UKKYUWIAJJCBBK-UHFFFAOYSA-N 1 1 434.536 4.744 40 0 IJABMO O=C(c1ccc(C[N@H+]2CCc3ccccc3C2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000409136427 556969572 /nfs/dbraw/zinc/96/95/72/556969572.db2.gz YXSNURMCMFAENY-UHFFFAOYSA-N 1 1 445.994 4.861 40 0 IJABMO COc1cccc2ccc(C[N@H+]3CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)nc21 ZINC000072398598 556970263 /nfs/dbraw/zinc/97/02/63/556970263.db2.gz UKJFZHIOZWBICV-YKSBVNFPSA-N 1 1 446.595 4.754 40 0 IJABMO 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C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)cc2)C1 ZINC000219242221 557232880 /nfs/dbraw/zinc/23/28/80/557232880.db2.gz AVCVIMFBXBPEEZ-KRWDZBQOSA-N 1 1 438.959 4.894 40 0 IJABMO COc1ccccc1C[N@H+]1CCC[C@@](Cc2cc(-c3ccc(C)cc3)no2)(C(=O)N(C)C)C1 ZINC000057775191 557264996 /nfs/dbraw/zinc/26/49/96/557264996.db2.gz XYPSIBIADZQHQS-MHZLTWQESA-N 1 1 447.579 4.572 40 0 IJABMO CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000222597247 557358883 /nfs/dbraw/zinc/35/88/83/557358883.db2.gz HWHMXYAFPHCUHF-QGZVFWFLSA-N 1 1 444.988 4.712 40 0 IJABMO CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1OC ZINC000072370595 557388754 /nfs/dbraw/zinc/38/87/54/557388754.db2.gz KTYXIIFEVQIVBM-SFHVURJKSA-N 1 1 438.593 4.875 40 0 IJABMO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2Cl)CC1 ZINC000017100030 557483968 /nfs/dbraw/zinc/48/39/68/557483968.db2.gz ITFNGNGUQFZWEV-UHFFFAOYSA-N 1 1 436.383 4.931 40 0 IJABMO 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557745234 /nfs/dbraw/zinc/74/52/34/557745234.db2.gz AWNLHUQDFZTQKG-FQEVSTJZSA-N 1 1 440.559 4.766 40 0 IJABMO CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225696482 557765592 /nfs/dbraw/zinc/76/55/92/557765592.db2.gz DDQHKJXKGBPNTK-UHFFFAOYSA-N 1 1 434.621 4.594 40 0 IJABMO CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910452 557791052 /nfs/dbraw/zinc/79/10/52/557791052.db2.gz QXVLOGQCSFBVIB-KRWDZBQOSA-N 1 1 449.378 4.950 40 0 IJABMO CCOC(=O)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3c(Cl)cccc3Cl)C2)cc1 ZINC000225910452 557791055 /nfs/dbraw/zinc/79/10/55/557791055.db2.gz QXVLOGQCSFBVIB-KRWDZBQOSA-N 1 1 449.378 4.950 40 0 IJABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000015674158 560230963 /nfs/dbraw/zinc/23/09/63/560230963.db2.gz XITAXHUCDKLJPY-APWZRJJASA-N 1 1 428.414 4.545 40 0 biogenic,in-vitro IJABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(C(F)(F)F)cc3)no2)[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000015674158 560230964 /nfs/dbraw/zinc/23/09/64/560230964.db2.gz XITAXHUCDKLJPY-APWZRJJASA-N 1 1 428.414 4.545 40 0 biogenic,in-vitro IJABMO CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)cc1OC ZINC000057774059 568625969 /nfs/dbraw/zinc/62/59/69/568625969.db2.gz LXHUPULAFYZTFM-RLWLMLJZSA-N 1 1 439.600 4.605 40 0 IJABMO COCC(=O)N1CCC2(C[N@@H+](Cc3ccc(Cl)cc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000257201253 568665841 /nfs/dbraw/zinc/66/58/41/568665841.db2.gz AGWXKOKYZXWTCX-OAQYLSRUSA-N 1 1 447.406 4.848 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@@H+]3Cc3sccc3C)nn2c1C ZINC000257208748 568669017 /nfs/dbraw/zinc/66/90/17/568669017.db2.gz BNMCOWRVSWMBRG-NRFANRHFSA-N 1 1 439.629 4.512 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCC[N@H+]3Cc3sccc3C)nn2c1C ZINC000257208748 568669020 /nfs/dbraw/zinc/66/90/20/568669020.db2.gz BNMCOWRVSWMBRG-NRFANRHFSA-N 1 1 439.629 4.512 40 0 IJABMO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CC[C@@H](C)[NH+]3CCCC3)CC2)n1 ZINC000257210169 568669697 /nfs/dbraw/zinc/66/96/97/568669697.db2.gz BTNKDVFTKQPOFU-LJQANCHMSA-N 1 1 439.579 4.638 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)on3)C2)c1 ZINC000257237749 568682725 /nfs/dbraw/zinc/68/27/25/568682725.db2.gz HHZCIYPUPFOWOL-IARNNAAMSA-N 1 1 449.595 4.761 40 0 IJABMO Cc1cc(C)n2ncc(C[N@H+]3CCC[C@H](c4ccc(Cc5cccc(F)c5)cn4)C3)c2n1 ZINC000257244412 568685775 /nfs/dbraw/zinc/68/57/75/568685775.db2.gz ILEVTPXMDMLSEN-QFIPXVFZSA-N 1 1 429.543 4.851 40 0 IJABMO Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257278959 568701765 /nfs/dbraw/zinc/70/17/65/568701765.db2.gz OEJVUDGIGUKYJQ-VWLOTQADSA-N 1 1 445.611 4.593 40 0 IJABMO Cc1ccccc1C[N@H+]1CCCC[C@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257278959 568701767 /nfs/dbraw/zinc/70/17/67/568701767.db2.gz OEJVUDGIGUKYJQ-VWLOTQADSA-N 1 1 445.611 4.593 40 0 IJABMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1OC ZINC000257305176 568713525 /nfs/dbraw/zinc/71/35/25/568713525.db2.gz SOSKRYTWKCSMSB-MRXNPFEDSA-N 1 1 433.430 4.762 40 0 IJABMO CCOc1ccccc1Cc1ccc([C@@H]2CCCN(C(=O)CCn3cc[nH+]c3CC)C2)nc1 ZINC000257309626 568715288 /nfs/dbraw/zinc/71/52/88/568715288.db2.gz UBRRLULYAQYZKD-HSZRJFAPSA-N 1 1 446.595 4.626 40 0 IJABMO Cc1ccsc1C[N@H+]1C[C@@H](c2nccs2)[C@@]2(CCN(Cc3cccs3)C2=O)C1 ZINC000306139016 568771025 /nfs/dbraw/zinc/77/10/25/568771025.db2.gz SNFONVYIHNNJMH-LAUBAEHRSA-N 1 1 429.636 4.593 40 0 IJABMO CCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000100237971 568791540 /nfs/dbraw/zinc/79/15/40/568791540.db2.gz VNAWPKITNHQNFL-HSZRJFAPSA-N 1 1 440.971 4.715 40 0 IJABMO CCc1cc([C@@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298680 568897492 /nfs/dbraw/zinc/89/74/92/568897492.db2.gz KRTPZZZUKHYMAS-XMMPIXPASA-N 1 1 449.620 4.908 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@H]1CCCO1 ZINC000247485356 569205945 /nfs/dbraw/zinc/20/59/45/569205945.db2.gz KMZXNDXAHDIQCF-WTOYTKOKSA-N 1 1 448.394 4.637 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@H]1CCCO1 ZINC000247485356 569205947 /nfs/dbraw/zinc/20/59/47/569205947.db2.gz KMZXNDXAHDIQCF-WTOYTKOKSA-N 1 1 448.394 4.637 40 0 IJABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCCN(Cc3ccccc3Cl)C2)[N@@H+](C)C1 ZINC000248103556 569206994 /nfs/dbraw/zinc/20/69/94/569206994.db2.gz FJMHRDVMGPGWHF-MZKRTTBSSA-N 1 1 442.003 4.520 40 0 IJABMO Cc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C1)OCO2 ZINC000019125563 569226105 /nfs/dbraw/zinc/22/61/05/569226105.db2.gz IZPLPUKKDKKGOC-HOYKHHGWSA-N 1 1 449.576 4.564 40 0 IJABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000019238619 569226367 /nfs/dbraw/zinc/22/63/67/569226367.db2.gz SVWNNNQRULKZAG-NTKDMRAZSA-N 1 1 435.593 4.843 40 0 IJABMO COc1ccc(OCCc2sc([C@]3(O)CCC[N@H+](C4CCCC4)CC3)nc2C)cc1 ZINC000019705415 569234281 /nfs/dbraw/zinc/23/42/81/569234281.db2.gz VFEANWSPPNDWNJ-DEOSSOPVSA-N 1 1 430.614 4.698 40 0 IJABMO COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044855616 569249304 /nfs/dbraw/zinc/24/93/04/569249304.db2.gz XJPNKAZWDHNSLG-PGRDOPGGSA-N 1 1 442.987 4.979 40 0 IJABMO O=C(c1ncoc1-c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000013565392 569291158 /nfs/dbraw/zinc/29/11/58/569291158.db2.gz PPHDJKATKOJSKJ-UHFFFAOYSA-N 1 1 429.545 4.951 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766292 569329017 /nfs/dbraw/zinc/32/90/17/569329017.db2.gz JSZHECSVDPHJOF-QHCPKHFHSA-N 1 1 439.563 4.576 40 0 IJABMO CC(=O)N1CCC([NH2+]C[C@@H]2C=C(C)[C@H](Cc3nc4ccc(F)cc4[nH]3)C[C@H]2C(C)C)CC1 ZINC000072320868 291387104 /nfs/dbraw/zinc/38/71/04/291387104.db2.gz UOCYAFRQQBXPMK-JTAQYXEDSA-N 1 1 440.607 4.700 40 0 biogenic,in-vitro IJABMO CCOC(=O)C1CC[NH+](c2ccc(NCc3cc4cc(C)c(C)cc4[nH]c3=O)cc2)CC1 ZINC000012088323 556401236 /nfs/dbraw/zinc/40/12/36/556401236.db2.gz XDKDEZBYFAFBMN-UHFFFAOYSA-N 1 1 433.552 4.537 40 0 IJABMO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000038831299 556621566 /nfs/dbraw/zinc/62/15/66/556621566.db2.gz QNHRCPDIKOVMMA-UHFFFAOYSA-N 1 1 440.031 4.854 40 0 IJABMO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(OC)c1 ZINC000044856773 556672639 /nfs/dbraw/zinc/67/26/39/556672639.db2.gz UTHOPGUKPIFXRX-CTNGQTDRSA-N 1 1 430.976 4.837 40 0 IJABMO COc1cccc(CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)c1 ZINC000044906861 556680086 /nfs/dbraw/zinc/68/00/86/556680086.db2.gz NFPLFMUHYPWKQO-UHFFFAOYSA-N 1 1 435.395 4.963 40 0 IJABMO CC(=O)Nc1ccc([C@@H]2C[N@@H+](Cc3ccc(Cl)c(Cl)c3)C[C@]23CCCC(=O)N3)cc1 ZINC000019022624 556694468 /nfs/dbraw/zinc/69/44/68/556694468.db2.gz DPOBVECWBZMJJU-WMZHIEFXSA-N 1 1 446.378 4.590 40 0 IJABMO CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1 ZINC000019081727 556696458 /nfs/dbraw/zinc/69/64/58/556696458.db2.gz WKRLUOBMVGYSDK-UNMCSNQZSA-N 1 1 437.584 4.501 40 0 IJABMO COc1cccc2ccc(C[N@H+]3CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)nc21 ZINC000019081897 556696759 /nfs/dbraw/zinc/69/67/59/556696759.db2.gz UKJFZHIOZWBICV-HYBUGGRVSA-N 1 1 446.595 4.754 40 0 IJABMO Cc1cc(C[C@@H]2COC[C@H]2[N@@H+](Cc2ccncc2)Cc2ccc(C(F)(F)F)cc2)on1 ZINC000019120606 556700799 /nfs/dbraw/zinc/70/07/99/556700799.db2.gz MKICHUIBWGAGEM-DENIHFKCSA-N 1 1 431.458 4.657 40 0 IJABMO Cc1noc(C)c1COc1ccc(C[N@@H+](C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000257331903 556705929 /nfs/dbraw/zinc/70/59/29/556705929.db2.gz XUTSSLLLSHVEBF-HSZRJFAPSA-N 1 1 447.579 4.935 40 0 IJABMO O=C(C[N@@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000257235927 556709966 /nfs/dbraw/zinc/70/99/66/556709966.db2.gz HACKTNOVTDPUSH-AHKZPQOWSA-N 1 1 430.548 4.619 40 0 IJABMO O=C(C[N@H+]1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1)Nc1cccc2ccccc21 ZINC000257235927 556709969 /nfs/dbraw/zinc/70/99/69/556709969.db2.gz HACKTNOVTDPUSH-AHKZPQOWSA-N 1 1 430.548 4.619 40 0 IJABMO C=Cn1ncc(C[N@H+]2CCC[C@@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)c1C ZINC000019219910 556714394 /nfs/dbraw/zinc/71/43/94/556714394.db2.gz WDOYLMPLNPJVET-GOSISDBHSA-N 1 1 430.474 4.599 40 0 IJABMO Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CC[NH+](Cc2cnc(C(C)C)nc2)CC1 ZINC000019236888 556721901 /nfs/dbraw/zinc/72/19/01/556721901.db2.gz MBDWEEQMJCWDRS-VWLOTQADSA-N 1 1 443.595 4.687 40 0 IJABMO CCOc1cc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)ccc1OC ZINC000019532017 556792596 /nfs/dbraw/zinc/79/25/96/556792596.db2.gz ANZXFZXXGURLCU-JOCHJYFZSA-N 1 1 447.583 4.739 40 0 IJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374165 556792884 /nfs/dbraw/zinc/79/28/84/556792884.db2.gz HUROXXGZXFAKLE-HSZRJFAPSA-N 1 1 434.588 4.834 40 0 IJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001374165 556792886 /nfs/dbraw/zinc/79/28/86/556792886.db2.gz HUROXXGZXFAKLE-HSZRJFAPSA-N 1 1 434.588 4.834 40 0 IJABMO COc1cc(C)c(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1C ZINC000019567342 556807579 /nfs/dbraw/zinc/80/75/79/556807579.db2.gz NOBACTHCBNOOOD-QHCPKHFHSA-N 1 1 431.584 4.957 40 0 IJABMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(C)c1C ZINC000019577374 556815577 /nfs/dbraw/zinc/81/55/77/556815577.db2.gz SDTRXFRZKWCGBP-HSZRJFAPSA-N 1 1 431.584 4.957 40 0 IJABMO COCC(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000019592993 556829158 /nfs/dbraw/zinc/82/91/58/556829158.db2.gz ARSCLKAEHBOKHS-HOFKKMOUSA-N 1 1 447.554 4.604 40 0 IJABMO Cn1cc(C[N@H+]2CCC[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c2cc(F)ccc21 ZINC000019689289 556843915 /nfs/dbraw/zinc/84/39/15/556843915.db2.gz KXLFUVBSTWAQJE-NRFANRHFSA-N 1 1 442.538 4.858 40 0 IJABMO CCn1ncc(C[N@H+]2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)c1C ZINC000019693958 556848928 /nfs/dbraw/zinc/84/89/28/556848928.db2.gz OYFHRTBQGFPTHL-IBGZPJMESA-N 1 1 439.007 4.767 40 0 IJABMO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000019701604 556861618 /nfs/dbraw/zinc/86/16/18/556861618.db2.gz BSVNCEJHONAJLZ-HSZRJFAPSA-N 1 1 440.522 4.964 40 0 IJABMO Cn1cc2c(n1)[C@H](C(=O)Nc1ccccc1F)C[N@H+](Cc1ccc(-c3ccccc3)cc1)C2 ZINC000019701604 556861621 /nfs/dbraw/zinc/86/16/21/556861621.db2.gz BSVNCEJHONAJLZ-HSZRJFAPSA-N 1 1 440.522 4.964 40 0 IJABMO Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+]4CCc4ccccc4)nc32)cc1 ZINC000019743114 556887428 /nfs/dbraw/zinc/88/74/28/556887428.db2.gz ANVZSKGVKLTSJK-VWLOTQADSA-N 1 1 440.591 4.952 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2F)C1)c1cccs1 ZINC000072330426 556905502 /nfs/dbraw/zinc/90/55/02/556905502.db2.gz AHCNFQLWXMZFPT-VGSWGCGISA-N 1 1 427.520 4.805 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2F)C1)c1cccs1 ZINC000072330426 556905504 /nfs/dbraw/zinc/90/55/04/556905504.db2.gz AHCNFQLWXMZFPT-VGSWGCGISA-N 1 1 427.520 4.805 40 0 IJABMO Cc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C1)OCO2 ZINC000072330434 556905559 /nfs/dbraw/zinc/90/55/59/556905559.db2.gz IZPLPUKKDKKGOC-UUOWRZLLSA-N 1 1 449.576 4.564 40 0 IJABMO Cc1cc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc(C)c1O ZINC000072330511 556906243 /nfs/dbraw/zinc/90/62/43/556906243.db2.gz ANWDYKFITUTCDM-RDGATRHJSA-N 1 1 447.554 4.926 40 0 IJABMO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000072330557 556906726 /nfs/dbraw/zinc/90/67/26/556906726.db2.gz AOLNUQZENUMDSL-HOFKKMOUSA-N 1 1 431.555 4.923 40 0 IJABMO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000072330556 556906741 /nfs/dbraw/zinc/90/67/41/556906741.db2.gz AOLNUQZENUMDSL-KCWPFWIISA-N 1 1 431.555 4.923 40 0 IJABMO Cc1cc(-c2cncnc2)cc([C@H]2CCC[N@H+](Cc3cc4ccccc4nc3N(C)C)C2)n1 ZINC000072353672 556927655 /nfs/dbraw/zinc/92/76/55/556927655.db2.gz OEEBMDGLRKSQCD-NRFANRHFSA-N 1 1 438.579 4.841 40 0 IJABMO COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1cnc(C)s1 ZINC000072370506 556935087 /nfs/dbraw/zinc/93/50/87/556935087.db2.gz KCXZVBQPDHMVQT-KRWDZBQOSA-N 1 1 443.638 4.640 40 0 IJABMO CCc1nc(NC(=O)C2(Cc3cccc([C@@H]4CCC[N@@H+](C)C4)c3)CCOCC2)sc1C ZINC000072372229 556941870 /nfs/dbraw/zinc/94/18/70/556941870.db2.gz IEUPFACDUYVEGW-OAQYLSRUSA-N 1 1 441.641 4.801 40 0 IJABMO CCOC(=O)C1(Cc2cc(-c3ccccc3F)no2)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000072393940 556965094 /nfs/dbraw/zinc/96/50/94/556965094.db2.gz PKFAEVMTHNPFGJ-UHFFFAOYSA-N 1 1 438.499 4.574 40 0 IJABMO Fc1ccc(-c2cnc3c(c2)[C@@H]([NH2+]CC2CC2)n2nc(-c4cccnc4)nc2S3)cc1 ZINC000072396326 556969247 /nfs/dbraw/zinc/96/92/47/556969247.db2.gz HEHDUXFTCXITEH-NRFANRHFSA-N 1 1 430.512 4.552 40 0 IJABMO O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000585100315 557033959 /nfs/dbraw/zinc/03/39/59/557033959.db2.gz AYEJCMHROQCPBS-XMMPIXPASA-N 1 1 430.951 4.905 40 0 IJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCC[N@@H+]1Cc1cccc2ncccc12 ZINC000585168854 557131414 /nfs/dbraw/zinc/13/14/14/557131414.db2.gz KHQGMXNFVVVCKZ-RUZDIDTESA-N 1 1 439.563 4.957 40 0 IJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCC[N@H+]1Cc1cccc2ncccc12 ZINC000585168854 557131417 /nfs/dbraw/zinc/13/14/17/557131417.db2.gz KHQGMXNFVVVCKZ-RUZDIDTESA-N 1 1 439.563 4.957 40 0 IJABMO O=C(NCc1nc(-c2ccccc2)no1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000219417117 557243848 /nfs/dbraw/zinc/24/38/48/557243848.db2.gz FMACHJAWVPGNOF-UHFFFAOYSA-N 1 1 445.350 4.572 40 0 IJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 ZINC000013494588 557325552 /nfs/dbraw/zinc/32/55/52/557325552.db2.gz RXEAWMVMBCXAPG-NRFANRHFSA-N 1 1 436.604 4.864 40 0 IJABMO Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)n2)c1 ZINC000222596827 557358530 /nfs/dbraw/zinc/35/85/30/557358530.db2.gz BWFGYIJSJYMQRA-FQEVSTJZSA-N 1 1 438.959 4.569 40 0 IJABMO O=C(COc1cccc2c1CCCC2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000223982511 557538919 /nfs/dbraw/zinc/53/89/19/557538919.db2.gz LEWSYJJWBQOTPN-UHFFFAOYSA-N 1 1 440.587 4.878 40 0 IJABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccc(C)c(C)c1 ZINC000224293801 557586698 /nfs/dbraw/zinc/58/66/98/557586698.db2.gz DQTHPCAXVGVUHM-UHFFFAOYSA-N 1 1 444.575 4.849 40 0 IJABMO O=C(NCCOc1ccccc1Cl)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224548915 557620952 /nfs/dbraw/zinc/62/09/52/557620952.db2.gz PHSKMBAZYCUQSN-UHFFFAOYSA-N 1 1 425.331 4.540 40 0 IJABMO O=C(Nc1ccc(N2CCOCC2)cc1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000225006929 557676581 /nfs/dbraw/zinc/67/65/81/557676581.db2.gz XDLPYDVRFPWWBT-UHFFFAOYSA-N 1 1 448.394 4.681 40 0 IJABMO O=C(Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 ZINC000225523564 557735537 /nfs/dbraw/zinc/73/55/37/557735537.db2.gz XYBMQMPGVMOAIG-UHFFFAOYSA-N 1 1 442.987 4.892 40 0 IJABMO C[C@@H]1Cc2ccccc2N1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225588164 557748179 /nfs/dbraw/zinc/74/81/79/557748179.db2.gz LTOVLGRYMKSISH-GOSISDBHSA-N 1 1 443.994 4.649 40 0 IJABMO CNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000257238951 568683521 /nfs/dbraw/zinc/68/35/21/568683521.db2.gz HNFNZWTXTAACNP-SFHVURJKSA-N 1 1 444.560 4.833 40 0 IJABMO COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)Cn4cc[nH+]c4C(C)C)C3)c2)c1 ZINC000257245086 568686116 /nfs/dbraw/zinc/68/61/16/568686116.db2.gz IOAUWADCAJOAFQ-OAQYLSRUSA-N 1 1 432.568 4.792 40 0 IJABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCO[C@H](c2cc(Nc3ccccn3)cc(C)[nH+]2)C1 ZINC000257249093 568688119 /nfs/dbraw/zinc/68/81/19/568688119.db2.gz JGUPVHJCOIWYPV-QFIPXVFZSA-N 1 1 445.498 4.671 40 0 IJABMO Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCC[N@@H+](Cc3ccccc3-c3ccccc3F)C2)n1 ZINC000257285936 568704712 /nfs/dbraw/zinc/70/47/12/568704712.db2.gz PJMACRBAGOWSJA-MHZLTWQESA-N 1 1 446.570 4.847 40 0 IJABMO Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCC[N@@H+](Cc3ccccc3-c3ccccc3F)C2)n1 ZINC000257285935 568704820 /nfs/dbraw/zinc/70/48/20/568704820.db2.gz PJMACRBAGOWSJA-HHHXNRCGSA-N 1 1 446.570 4.847 40 0 IJABMO Cc1nc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257288269 568705930 /nfs/dbraw/zinc/70/59/30/568705930.db2.gz PTOMRKJROPHPGV-JOCHJYFZSA-N 1 1 446.570 4.836 40 0 IJABMO CCc1ccccc1NC(=O)C[NH+]1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1 ZINC000257337514 568727698 /nfs/dbraw/zinc/72/76/98/568727698.db2.gz YTBPWIAYQAVPMM-UHFFFAOYSA-N 1 1 433.531 4.740 40 0 IJABMO CC(C)Oc1ccc(C[N@H+]2C[C@H](c3nccs3)[C@@]3(CCN(C4CCCC4)C3=O)C2)cc1 ZINC000306123262 568762499 /nfs/dbraw/zinc/76/24/99/568762499.db2.gz AITSJWHTYYFMJR-RCZVLFRGSA-N 1 1 439.625 4.691 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019235949 569226137 /nfs/dbraw/zinc/22/61/37/569226137.db2.gz QXFYHGYGINJKEF-YIXXDRMTSA-N 1 1 443.591 4.711 40 0 IJABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2sccc2C)C1 ZINC000019238621 569226373 /nfs/dbraw/zinc/22/63/73/569226373.db2.gz SVWNNNQRULKZAG-YADARESESA-N 1 1 435.593 4.843 40 0 IJABMO CC(C)n1c(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N(C)C)C2)nc2ccccc21 ZINC000019702123 569231787 /nfs/dbraw/zinc/23/17/87/569231787.db2.gz WMOHLRWMLKZBHJ-KRWDZBQOSA-N 1 1 447.608 4.918 40 0 IJABMO Cc1ncc(C[N@H+]2CCC[C@@](O)(c3nc(C)c(CCOc4ccccc4)s3)CC2)s1 ZINC000019705236 569234135 /nfs/dbraw/zinc/23/41/35/569234135.db2.gz XIYCCSPKTQZDMR-QHCPKHFHSA-N 1 1 443.638 4.712 40 0 IJABMO COC(=O)c1c2c(sc1NC(=O)c1ccc(C[N@H+]3CCc4ccccc4C3)cc1)CCC2 ZINC000020242015 569241385 /nfs/dbraw/zinc/24/13/85/569241385.db2.gz XJWWXNPTZLECJV-UHFFFAOYSA-N 1 1 446.572 4.834 40 0 IJABMO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044855615 569249313 /nfs/dbraw/zinc/24/93/13/569249313.db2.gz XJPNKAZWDHNSLG-AVRDEDQJSA-N 1 1 442.987 4.979 40 0 IJABMO COc1ccccc1OCC[N@@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C(C)C ZINC000065743083 569296863 /nfs/dbraw/zinc/29/68/63/569296863.db2.gz LQUBFKUWSKDUMH-HXUWFJFHSA-N 1 1 448.563 4.859 40 0 in-vitro IJABMO Cc1cc(Cc2ccc(Cl)cc2)cc(C2CC[NH+](CC(=O)NCc3ccccn3)CC2)n1 ZINC000019691663 569326398 /nfs/dbraw/zinc/32/63/98/569326398.db2.gz CYEOJLCXRIHXMB-UHFFFAOYSA-N 1 1 448.998 4.525 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)cc1 ZINC000019705260 569327476 /nfs/dbraw/zinc/32/74/76/569327476.db2.gz QGGLWXFIJNIIAL-VWLOTQADSA-N 1 1 438.593 4.913 40 0 IJABMO CCCC[C@@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 ZINC000012859030 521030253 /nfs/dbraw/zinc/03/02/53/521030253.db2.gz HDWMZLOXEHLERX-HDDJIDQQSA-N 1 1 430.633 4.696 40 0 IJABMO CC[C@H](OC[C@@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000034930427 522859161 /nfs/dbraw/zinc/85/91/61/522859161.db2.gz WJDHCLOFZSSEQT-NSOVKSMOSA-N 1 1 444.619 4.922 40 0 IJABMO COc1ccc([C@@H]2C[N@@H+](C/C(C)=C/c3ccccc3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1OC ZINC000012163392 525257569 /nfs/dbraw/zinc/25/75/69/525257569.db2.gz WMUCTSINGCISPZ-FXPRHUDCSA-N 1 1 445.563 4.794 40 0 IJABMO Cc1nc2cc(F)ccc2n1C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000001380385 555693317 /nfs/dbraw/zinc/69/33/17/555693317.db2.gz FCKNPBLEXREGQB-UHFFFAOYSA-N 1 1 445.336 4.522 40 0 IJABMO CC[NH+]1CCN(C(=S)c2cccc(OC)c2OCc2c(Cl)cccc2Cl)CC1 ZINC000408575869 555926456 /nfs/dbraw/zinc/92/64/56/555926456.db2.gz OTCAXCLQUYRQTC-UHFFFAOYSA-N 1 1 439.408 4.894 40 0 IJABMO CC[NH+]1CCN(C(=S)c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)CC1 ZINC000408577906 555929346 /nfs/dbraw/zinc/92/93/46/555929346.db2.gz VPXRMKBDAHAQMK-UHFFFAOYSA-N 1 1 439.408 4.894 40 0 IJABMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)Cc1nccc2ccccc21 ZINC000005011876 556028351 /nfs/dbraw/zinc/02/83/51/556028351.db2.gz DDZUATJAAJLKIR-WMVAVLGLSA-N 1 1 432.564 4.555 40 0 IJABMO CCCNC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000030939529 556515972 /nfs/dbraw/zinc/51/59/72/556515972.db2.gz WXYQLGZNZVFZNP-UHFFFAOYSA-N 1 1 448.394 4.984 40 0 IJABMO Cc1ccc(OC[C@@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000044852891 556671148 /nfs/dbraw/zinc/67/11/48/556671148.db2.gz KYXCKCLVKPMJCS-GOSISDBHSA-N 1 1 445.401 4.553 40 0 IJABMO O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000044938419 556682959 /nfs/dbraw/zinc/68/29/59/556682959.db2.gz PQTKQAALEFEPJQ-UHFFFAOYSA-N 1 1 425.532 4.624 40 0 IJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000019234965 556719363 /nfs/dbraw/zinc/71/93/63/556719363.db2.gz BSULTUGJESCVLW-GJZUVCINSA-N 1 1 429.564 4.782 40 0 IJABMO Cc1cccc2cc(C[N@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)c(=O)[nH]c12 ZINC000000926323 556753201 /nfs/dbraw/zinc/75/32/01/556753201.db2.gz LCMAXVSNTMLMTB-UHFFFAOYSA-N 1 1 434.588 4.663 40 0 IJABMO Cc1cccc2cc(C[N@@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)c(=O)[nH]c12 ZINC000000926323 556753206 /nfs/dbraw/zinc/75/32/06/556753206.db2.gz LCMAXVSNTMLMTB-UHFFFAOYSA-N 1 1 434.588 4.663 40 0 IJABMO CC(C)n1cc(C[N@H+]2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2ccc(F)cc21 ZINC000019454775 556765002 /nfs/dbraw/zinc/76/50/02/556765002.db2.gz OIADHOLUBVQQEJ-BKMJKUGQSA-N 1 1 434.559 4.785 40 0 IJABMO COc1ccc2c(c1)c(C[N@H+]1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)cn2C(C)C ZINC000019454792 556765024 /nfs/dbraw/zinc/76/50/24/556765024.db2.gz 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COCCOc1cccc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568901 556808890 /nfs/dbraw/zinc/80/88/90/556808890.db2.gz PZZLJZHHCCYFHU-QGZVFWFLSA-N 1 1 449.473 4.955 40 0 IJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019568934 556809139 /nfs/dbraw/zinc/80/91/39/556809139.db2.gz XJPMIMWIIYHBCB-NLFFAJNJSA-N 1 1 433.527 4.613 40 0 IJABMO COCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 ZINC000019574877 556814764 /nfs/dbraw/zinc/81/47/64/556814764.db2.gz PYYXICGBXLOGBA-UIAACRFSSA-N 1 1 438.494 4.553 40 0 IJABMO COCCOc1ccc(C[N@H+]2CCC[C@H]2c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)cc1 ZINC000019574877 556814766 /nfs/dbraw/zinc/81/47/66/556814766.db2.gz PYYXICGBXLOGBA-UIAACRFSSA-N 1 1 438.494 4.553 40 0 IJABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cn1 ZINC000019687010 556841803 /nfs/dbraw/zinc/84/18/03/556841803.db2.gz CAOPXPIKFYJWKJ-XMMPIXPASA-N 1 1 436.987 4.950 40 0 IJABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)cn1 ZINC000019687010 556841805 /nfs/dbraw/zinc/84/18/05/556841805.db2.gz CAOPXPIKFYJWKJ-XMMPIXPASA-N 1 1 436.987 4.950 40 0 IJABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)c1C ZINC000019693959 556848888 /nfs/dbraw/zinc/84/88/88/556848888.db2.gz PHVYQYGBSQVWPT-LJQANCHMSA-N 1 1 439.007 4.767 40 0 IJABMO CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCC[N@H+]2Cc2cnn(C)c2)n1 ZINC000019694385 556850318 /nfs/dbraw/zinc/85/03/18/556850318.db2.gz DYUIABKNWFXEAO-FQEVSTJZSA-N 1 1 444.505 4.689 40 0 IJABMO Cc1cccc(CNc2n[nH]c3nc([C@H]4CCC[N@@H+](CCc5ccccc5)C4)ccc23)n1 ZINC000019742875 556886723 /nfs/dbraw/zinc/88/67/23/556886723.db2.gz QBDCBTUXBDMGPI-NRFANRHFSA-N 1 1 426.568 4.696 40 0 IJABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CCC[N@H+](CCc5ccccc5)C4)ccc32)n1 ZINC000019742875 556886724 /nfs/dbraw/zinc/88/67/24/556886724.db2.gz QBDCBTUXBDMGPI-NRFANRHFSA-N 1 1 426.568 4.696 40 0 IJABMO Cc1cccc(CNc2[nH]nc3nc([C@H]4CCC[N@@H+](CCc5ccccc5)C4)ccc32)n1 ZINC000019742875 556886727 /nfs/dbraw/zinc/88/67/27/556886727.db2.gz QBDCBTUXBDMGPI-NRFANRHFSA-N 1 1 426.568 4.696 40 0 IJABMO O=C(Cc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000072330472 556905858 /nfs/dbraw/zinc/90/58/58/556905858.db2.gz BDXRNJPTNZUEFA-RLWLMLJZSA-N 1 1 435.518 4.672 40 0 IJABMO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072330546 556906258 /nfs/dbraw/zinc/90/62/58/556906258.db2.gz WIKNMOMOZXXNER-KCWPFWIISA-N 1 1 431.555 4.923 40 0 IJABMO CNc1ncccc1C[N@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359133 556932158 /nfs/dbraw/zinc/93/21/58/556932158.db2.gz KRXVCPOLBFCJGW-KRWDZBQOSA-N 1 1 427.474 4.979 40 0 IJABMO Cc1cccnc1Nc1ccc(C2CCN(C(=O)[C@@H](C)n3cc[nH+]c3C(C)C)CC2)nc1 ZINC000072374328 556947738 /nfs/dbraw/zinc/94/77/38/556947738.db2.gz JTNZNALHWZQSGC-LJQANCHMSA-N 1 1 432.572 4.816 40 0 IJABMO Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)C[N@@H+]3CCc4ccccc4C3)n2)sc1C ZINC000072375330 556951089 /nfs/dbraw/zinc/95/10/89/556951089.db2.gz IGEAHNSRKNVAJD-JOCHJYFZSA-N 1 1 447.608 4.620 40 0 IJABMO Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)C[N@H+]3CCc4ccccc4C3)n2)sc1C ZINC000072375330 556951092 /nfs/dbraw/zinc/95/10/92/556951092.db2.gz IGEAHNSRKNVAJD-JOCHJYFZSA-N 1 1 447.608 4.620 40 0 IJABMO COCc1cc(C[N@H+]2CCC[C@@H]2c2cccc(Nc3cnccn3)n2)ccc1OC(C)C ZINC000072375841 556953352 /nfs/dbraw/zinc/95/33/52/556953352.db2.gz QYHNBEBGWOMBHD-JOCHJYFZSA-N 1 1 433.556 4.886 40 0 IJABMO COCc1cc(C[N@H+]2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)ccc1OC(C)C ZINC000072376119 556954275 /nfs/dbraw/zinc/95/42/75/556954275.db2.gz UDODKVNPNSKJEI-NRFANRHFSA-N 1 1 447.583 4.928 40 0 IJABMO CN(C)c1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072376860 556955418 /nfs/dbraw/zinc/95/54/18/556955418.db2.gz FRHXENJTUWQKPX-HXUWFJFHSA-N 1 1 427.474 4.961 40 0 IJABMO Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCC[N@H+](C5CCCC5)C4)nc32)c1 ZINC000072380023 556957298 /nfs/dbraw/zinc/95/72/98/556957298.db2.gz WSEUYOUHMHUULF-JOCHJYFZSA-N 1 1 432.612 4.737 40 0 IJABMO O=C(c1sc2ccccc2c1C[C@H]1CCCCC[N@H+]1Cc1cccnc1)N1CCOCC1 ZINC000072380075 556957594 /nfs/dbraw/zinc/95/75/94/556957594.db2.gz KOQOVIAPZNQERA-OAQYLSRUSA-N 1 1 449.620 4.756 40 0 IJABMO CC(C)c1snnc1C(=O)N1CCC[C@@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100344 557034168 /nfs/dbraw/zinc/03/41/68/557034168.db2.gz DLRBYCHMUDSKFU-JOCHJYFZSA-N 1 1 434.556 4.601 40 0 IJABMO CCN1CC[N@@H+](Cc2cccc3[nH]ccc32)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000585183628 557139280 /nfs/dbraw/zinc/13/92/80/557139280.db2.gz REZDYXKONQJCIF-XMMPIXPASA-N 1 1 438.575 4.753 40 0 IJABMO CC[N@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)Nc3cccc(Cl)c3)CC[C@@H]12 ZINC000096145310 557174650 /nfs/dbraw/zinc/17/46/50/557174650.db2.gz JFQXHBBCHALIOG-ZJSXRUAMSA-N 1 1 440.975 4.687 40 0 IJABMO Cc1ccccc1-c1ccc2c(c1)onc2-c1ncc(C(=O)N2CCC[N@@H+](C)CC2)s1 ZINC000096154657 557178681 /nfs/dbraw/zinc/17/86/81/557178681.db2.gz QHNOAQSHHXYQJK-UHFFFAOYSA-N 1 1 432.549 4.704 40 0 IJABMO Cc1ccccc1-c1ccc2c(c1)onc2-c1ncc(C(=O)N2CCC[N@H+](C)CC2)s1 ZINC000096154657 557178686 /nfs/dbraw/zinc/17/86/86/557178686.db2.gz QHNOAQSHHXYQJK-UHFFFAOYSA-N 1 1 432.549 4.704 40 0 IJABMO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1 ZINC000096315926 557198469 /nfs/dbraw/zinc/19/84/69/557198469.db2.gz RICPGCUGDSLSLZ-XMMPIXPASA-N 1 1 444.583 4.599 40 0 IJABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2[C@@H](c3ccccc3)C[C@]3(C)[C@H]2CCC[C@@H](O)[C@@H]3O)CC1 ZINC000585283320 557222699 /nfs/dbraw/zinc/22/26/99/557222699.db2.gz NFWNTLYKJDGYBV-AJARFYLLSA-N 1 1 429.645 4.681 40 0 IJABMO CC1(C)CC([N@H+](Cc2ccc(F)cc2)Cc2ccc(OCC(=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000013992598 557246093 /nfs/dbraw/zinc/24/60/93/557246093.db2.gz BTRCVIRZRHSIIM-UHFFFAOYSA-N 1 1 428.548 4.601 40 0 IJABMO CC1(C)CC([N@@H+](Cc2ccc(F)cc2)Cc2ccc(OCC(=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000013992598 557246096 /nfs/dbraw/zinc/24/60/96/557246096.db2.gz BTRCVIRZRHSIIM-UHFFFAOYSA-N 1 1 428.548 4.601 40 0 IJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013494592 557325596 /nfs/dbraw/zinc/32/55/96/557325596.db2.gz JMXIMEQSFRMPPE-QFIPXVFZSA-N 1 1 436.604 4.864 40 0 IJABMO COC(=O)c1cn(C(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)c2ccccc12 ZINC000222625655 557364353 /nfs/dbraw/zinc/36/43/53/557364353.db2.gz WZOQYGKAGGKKPK-UHFFFAOYSA-N 1 1 428.891 4.773 40 0 IJABMO COc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)s2)cc1 ZINC000223105846 557432064 /nfs/dbraw/zinc/43/20/64/557432064.db2.gz MAGDOVAFQHGYLQ-QGZVFWFLSA-N 1 1 442.972 4.718 40 0 IJABMO COc1cccc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000017099866 557483725 /nfs/dbraw/zinc/48/37/25/557483725.db2.gz RLDWPWYZPHFNIS-UHFFFAOYSA-N 1 1 435.955 4.923 40 0 IJABMO COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1 ZINC000223560487 557486244 /nfs/dbraw/zinc/48/62/44/557486244.db2.gz 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Cc1nc2sccn2c1C[N@H+]1CC[C@@H](c2cc(COc3cccc(Cl)c3)[nH]n2)C1 ZINC000019704363 569233264 /nfs/dbraw/zinc/23/32/64/569233264.db2.gz NGWGAQKSIINYJP-OAHLLOKOSA-N 1 1 427.961 4.649 40 0 IJABMO Cc1nc2sccn2c1C[N@@H+]1CC[C@@H](c2cc(COc3cccc(Cl)c3)n[nH]2)C1 ZINC000019704363 569233265 /nfs/dbraw/zinc/23/32/65/569233265.db2.gz NGWGAQKSIINYJP-OAHLLOKOSA-N 1 1 427.961 4.649 40 0 IJABMO Cc1nc2sccn2c1C[N@H+]1CC[C@@H](c2cc(COc3cccc(Cl)c3)n[nH]2)C1 ZINC000019704363 569233266 /nfs/dbraw/zinc/23/32/66/569233266.db2.gz NGWGAQKSIINYJP-OAHLLOKOSA-N 1 1 427.961 4.649 40 0 IJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)CC1 ZINC000020241859 569241283 /nfs/dbraw/zinc/24/12/83/569241283.db2.gz OUTPYNYGZNUROY-UHFFFAOYSA-N 1 1 435.955 4.923 40 0 IJABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)ncc1C(=O)NCc1ccccc1 ZINC000019754100 569328592 /nfs/dbraw/zinc/32/85/92/569328592.db2.gz YYGGDCQNAVXEIK-RUZDIDTESA-N 1 1 439.563 4.924 40 0 IJABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccc3[nH]ccc3c2)ncc1C(=O)NCc1ccccc1 ZINC000019754100 569328593 /nfs/dbraw/zinc/32/85/93/569328593.db2.gz YYGGDCQNAVXEIK-RUZDIDTESA-N 1 1 439.563 4.924 40 0 IJABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@H]2CCC[N@H+]2Cc2cccc3cccnc32)n1 ZINC000019766678 569329275 /nfs/dbraw/zinc/32/92/75/569329275.db2.gz GHQUNXZARSNVRC-XMMPIXPASA-N 1 1 437.547 4.600 40 0 IJABMO CCN(CC)CC[NH2+]Cc1cc(Br)c(OCc2ccccc2F)c(OC)c1 ZINC000022075627 520686383 /nfs/dbraw/zinc/68/63/83/520686383.db2.gz RHXPDMIOBFQIIV-UHFFFAOYSA-N 1 1 439.369 4.607 40 0 IJABMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2)cc1OC ZINC000000843555 525395799 /nfs/dbraw/zinc/39/57/99/525395799.db2.gz ODDXTSDEFAPTLN-DQEYMECFSA-N 1 1 438.487 4.508 40 0 IJABMO O=S1(=O)[C@H](c2ccccc2)[C@@H](N2CCCCC2)[C@@H]1[C@@H](c1ccccc1)[NH+]1CCCCC1 ZINC000004973113 556024728 /nfs/dbraw/zinc/02/47/28/556024728.db2.gz KJCFJAOAXVRAHX-POTDNYQPSA-N 1 1 438.637 4.606 40 0 IJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 ZINC000038855995 556625759 /nfs/dbraw/zinc/62/57/59/556625759.db2.gz VONFDMNNDAAPEN-LJQANCHMSA-N 1 1 438.531 4.983 40 0 IJABMO Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000038857223 556626072 /nfs/dbraw/zinc/62/60/72/556626072.db2.gz UPAZPGGOQFFSMG-LJQANCHMSA-N 1 1 426.004 4.843 40 0 IJABMO O=C(Nc1ccc(N2CCCC2=O)cc1)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000044938350 556682919 /nfs/dbraw/zinc/68/29/19/556682919.db2.gz KNBIOKSXIZAPDE-UHFFFAOYSA-N 1 1 446.378 4.971 40 0 IJABMO Cc1cc(C[C@H]2COC[C@@H]2[N@@H+](Cc2ccncc2)Cc2ccccc2C(F)(F)F)on1 ZINC000019120697 556700871 /nfs/dbraw/zinc/70/08/71/556700871.db2.gz UOGOYJOGMSPBMY-UGKGYDQZSA-N 1 1 431.458 4.657 40 0 IJABMO COc1cc(C)ccc1C[N@H+]1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccncc1C ZINC000019134027 556705421 /nfs/dbraw/zinc/70/54/21/556705421.db2.gz APVCZCYVCQMBSH-QHCPKHFHSA-N 1 1 431.584 4.957 40 0 IJABMO C=Cn1cc(C[N@H+]2CCC[C@@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)c(C)n1 ZINC000019219879 556714453 /nfs/dbraw/zinc/71/44/53/556714453.db2.gz 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CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCC[N@H+](C2CCOCC2)C1 ZINC000019448921 556759080 /nfs/dbraw/zinc/75/90/80/556759080.db2.gz UGEUBSDEUXTAGA-VWLOTQADSA-N 1 1 426.626 4.743 40 0 IJABMO C[C@H](C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](C1CCCCC1)C2)c1ccccc1 ZINC000019459288 556767025 /nfs/dbraw/zinc/76/70/25/556767025.db2.gz UDSKOHHIQQRQEL-CYFREDJKSA-N 1 1 448.611 4.730 40 0 IJABMO CCCn1nc(C)c(-c2cc(C(=O)Nc3ccc(C[NH+]4CCCCCC4)cc3)[nH]n2)c1C ZINC000019525852 556783588 /nfs/dbraw/zinc/78/35/88/556783588.db2.gz QLBOKQRWNBWFLS-UHFFFAOYSA-N 1 1 434.588 4.928 40 0 IJABMO CCOc1cc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)ccc1OC ZINC000019532019 556792532 /nfs/dbraw/zinc/79/25/32/556792532.db2.gz ANZXFZXXGURLCU-QFIPXVFZSA-N 1 1 447.583 4.739 40 0 IJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000001374106 556792973 /nfs/dbraw/zinc/79/29/73/556792973.db2.gz LQTVBMKBCRJYBJ-QFIPXVFZSA-N 1 1 436.604 4.864 40 0 IJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375222 556793360 /nfs/dbraw/zinc/79/33/60/556793360.db2.gz ONDSBQWMIJDYJD-JOCHJYFZSA-N 1 1 436.604 4.782 40 0 IJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 ZINC000001375222 556793364 /nfs/dbraw/zinc/79/33/64/556793364.db2.gz ONDSBQWMIJDYJD-JOCHJYFZSA-N 1 1 436.604 4.782 40 0 IJABMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1OC ZINC000019533846 556793675 /nfs/dbraw/zinc/79/36/75/556793675.db2.gz STTSQCJGOJUBJH-JOCHJYFZSA-N 1 1 447.583 4.739 40 0 IJABMO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)no2)cc1 ZINC000019555817 556799120 /nfs/dbraw/zinc/79/91/20/556799120.db2.gz DCTQVOFQLSFAGA-IBGZPJMESA-N 1 1 439.943 4.646 40 0 IJABMO COc1ccc(OC)c(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568876 556808962 /nfs/dbraw/zinc/80/89/62/556808962.db2.gz QLFUYOZBQSCVLR-CQSZACIVSA-N 1 1 435.446 4.947 40 0 IJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019568940 556809203 /nfs/dbraw/zinc/80/92/03/556809203.db2.gz XJPMIMWIIYHBCB-CPJSRVTESA-N 1 1 433.527 4.613 40 0 IJABMO COCCn1c(C)c(C[N@H+]2CCC[C@@H](c3ccc(-c4cnn(C)c4)cn3)C2)c2ccccc21 ZINC000019689227 556843906 /nfs/dbraw/zinc/84/39/06/556843906.db2.gz AJMZXNGTTUBYQN-JOCHJYFZSA-N 1 1 443.595 4.771 40 0 IJABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3c(C)nn(C(C)C)c3C)c2)cn1 ZINC000019690828 556846606 /nfs/dbraw/zinc/84/66/06/556846606.db2.gz HBDLXFNNPKNHPM-VWLOTQADSA-N 1 1 446.599 4.543 40 0 IJABMO O=C(NCc1ccc(Cl)cc1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000408864800 556873120 /nfs/dbraw/zinc/87/31/20/556873120.db2.gz ZJLUPFUEOWZZIP-UHFFFAOYSA-N 1 1 433.983 4.588 40 0 IJABMO Cc1nc([C@@H]2CCC[N@H+]2Cc2cnc(C(C)C)nc2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711143 556875128 /nfs/dbraw/zinc/87/51/28/556875128.db2.gz COWRMVBGEGZUEX-DEOSSOPVSA-N 1 1 447.558 4.710 40 0 IJABMO Cc1nc([C@@H]2CCC[N@@H+]2Cc2cnc(C(C)C)nc2)ccc1C(=O)NCc1ccc(F)cc1 ZINC000019711143 556875131 /nfs/dbraw/zinc/87/51/31/556875131.db2.gz COWRMVBGEGZUEX-DEOSSOPVSA-N 1 1 447.558 4.710 40 0 IJABMO O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000072330548 556906181 /nfs/dbraw/zinc/90/61/81/556906181.db2.gz SSJNHGFHPCFYQM-KCWPFWIISA-N 1 1 431.555 4.923 40 0 IJABMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([C@H](NC(C)=O)c4nccs4)C3)c2)cc1 ZINC000072337760 556910676 /nfs/dbraw/zinc/91/06/76/556910676.db2.gz RBYHDNJXBCXYID-VWNXMTODSA-N 1 1 435.593 4.908 40 0 IJABMO Cc1cc2nc([C@@H]3CCC[N@@H+](Cc4cccc5cccnc54)C3)cc(C(F)(F)F)n2n1 ZINC000072340876 556912867 /nfs/dbraw/zinc/91/28/67/556912867.db2.gz AQYACIRDNWGLNP-QGZVFWFLSA-N 1 1 425.458 4.984 40 0 IJABMO COc1cccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](Cc2ccccc2)CC4)c1 ZINC000019819705 556923101 /nfs/dbraw/zinc/92/31/01/556923101.db2.gz AZPOPMOLYVUEQG-UHFFFAOYSA-N 1 1 435.574 4.677 40 0 IJABMO COc1cccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](Cc2ccccc2)CC4)c1 ZINC000019819705 556923103 /nfs/dbraw/zinc/92/31/03/556923103.db2.gz AZPOPMOLYVUEQG-UHFFFAOYSA-N 1 1 435.574 4.677 40 0 IJABMO COc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCC[N@H+](C5CCCCC5)C4)nc32)cc1 ZINC000072355729 556930426 /nfs/dbraw/zinc/93/04/26/556930426.db2.gz GTNUNDISZGCWOR-NRFANRHFSA-N 1 1 448.611 4.785 40 0 IJABMO CNc1ncccc1C[N@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359815 556933180 /nfs/dbraw/zinc/93/31/80/556933180.db2.gz VGJSBKXDNVLWNU-QGZVFWFLSA-N 1 1 427.474 4.979 40 0 IJABMO CC(C)c1ncc(C[N@H+]2CC[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000072371731 556940508 /nfs/dbraw/zinc/94/05/08/556940508.db2.gz WKECMUVHMWNMGN-SFHVURJKSA-N 1 1 425.964 4.588 40 0 IJABMO CC(C)c1ncc(C[N@@H+]2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000072371731 556940509 /nfs/dbraw/zinc/94/05/09/556940509.db2.gz WKECMUVHMWNMGN-SFHVURJKSA-N 1 1 425.964 4.588 40 0 IJABMO CC(C)c1ncc(C[N@H+]2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000072371731 556940510 /nfs/dbraw/zinc/94/05/10/556940510.db2.gz WKECMUVHMWNMGN-SFHVURJKSA-N 1 1 425.964 4.588 40 0 IJABMO Cc1onc(C(C)C)c1C(=O)N1CCC[C@H]1c1cc(Nc2nc(C)cc(C)n2)cc(C)[nH+]1 ZINC000072372620 556943403 /nfs/dbraw/zinc/94/34/03/556943403.db2.gz KHUUFFWCCFKEMV-FQEVSTJZSA-N 1 1 434.544 4.938 40 0 IJABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2F)[nH+]1 ZINC000072372684 556943725 /nfs/dbraw/zinc/94/37/25/556943725.db2.gz ZLDMHFWUZSGQAX-QFIPXVFZSA-N 1 1 440.544 4.643 40 0 IJABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)n1 ZINC000072372745 556944241 /nfs/dbraw/zinc/94/42/41/556944241.db2.gz SRPVZFLWBRUTSV-GOSISDBHSA-N 1 1 440.573 4.701 40 0 IJABMO COc1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)(F)F)n[nH]3)C2)cc1OC ZINC000072395573 556967305 /nfs/dbraw/zinc/96/73/05/556967305.db2.gz OYIKMDBNNLYIMB-ZWKOTPCHSA-N 1 1 431.458 4.829 40 0 IJABMO COc1cccc(-c2cccc3c([C@H]4CN(C(=O)Nc5cccc(C)c5)CCO4)[nH+]cn32)c1 ZINC000096155877 557180555 /nfs/dbraw/zinc/18/05/55/557180555.db2.gz UCESZGIFLFWFNX-XMMPIXPASA-N 1 1 442.519 4.924 40 0 IJABMO Cn1ccc2cc(NC(=O)C3(Cc4cccc([C@H]5CCC[N@@H+](C)C5)c4)CCOCC3)ccc21 ZINC000072372232 557388362 /nfs/dbraw/zinc/38/83/62/557388362.db2.gz LCHFHCIIBUTRBN-DEOSSOPVSA-N 1 1 445.607 4.966 40 0 IJABMO COc1c(Cl)cc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)cc1Cl ZINC000017096164 557487859 /nfs/dbraw/zinc/48/78/59/557487859.db2.gz CKBUGWAOZFZQGE-UHFFFAOYSA-N 1 1 428.747 4.660 40 0 IJABMO Cc1ccc(OCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1Cl ZINC000224168277 557569668 /nfs/dbraw/zinc/56/96/68/557569668.db2.gz GFCONUXRMFBTTN-UHFFFAOYSA-N 1 1 439.358 4.848 40 0 IJABMO CCOc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1COC ZINC000224688337 557640462 /nfs/dbraw/zinc/64/04/62/557640462.db2.gz SAAFWXPNQJKOCO-UHFFFAOYSA-N 1 1 444.575 4.779 40 0 IJABMO CCSc1nnc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)s1 ZINC000224694240 557641171 /nfs/dbraw/zinc/64/11/71/557641171.db2.gz QKSVOVFUJORKFQ-UHFFFAOYSA-N 1 1 431.414 4.808 40 0 IJABMO O=C(NCC1(c2ccccc2)CCOCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000225023248 557678885 /nfs/dbraw/zinc/67/88/85/557678885.db2.gz VMGHODOKHQSOTB-UHFFFAOYSA-N 1 1 444.978 4.556 40 0 IJABMO CCOC(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c(C)c1 ZINC000225582399 557746804 /nfs/dbraw/zinc/74/68/04/557746804.db2.gz KHJYBVWPDVGNBX-UHFFFAOYSA-N 1 1 432.923 4.815 40 0 IJABMO CCCCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000059557226 557827401 /nfs/dbraw/zinc/82/74/01/557827401.db2.gz ZAOWVWJZRKPRKC-UHFFFAOYSA-N 1 1 445.032 4.665 40 0 IJABMO Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)CC[C@H](C)[NH+]3CCCC3)CC2)n1 ZINC000257210168 568669643 /nfs/dbraw/zinc/66/96/43/568669643.db2.gz BTNKDVFTKQPOFU-IBGZPJMESA-N 1 1 439.579 4.638 40 0 IJABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3-c3ccccc3OC)CCN2C(C)=O)cc1 ZINC000257216232 568672615 /nfs/dbraw/zinc/67/26/15/568672615.db2.gz CTQOBDJVZDESIU-AREMUKBSSA-N 1 1 430.548 4.776 40 0 IJABMO Cc1nc2cc([C@@H]3CCC[N@H+]3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257217283 568673101 /nfs/dbraw/zinc/67/31/01/568673101.db2.gz CYJFUOMKNFMOTI-OFVILXPXSA-N 1 1 449.643 4.831 40 0 IJABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000257220263 568674302 /nfs/dbraw/zinc/67/43/02/568674302.db2.gz DKFDNVRRBZPYRK-HXUWFJFHSA-N 1 1 433.518 4.739 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCC[N@@H+]3Cc3ccccc3C)nn2c1C ZINC000257219697 568674316 /nfs/dbraw/zinc/67/43/16/568674316.db2.gz DHTKOXXOPSNTLR-VWLOTQADSA-N 1 1 447.627 4.841 40 0 IJABMO CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCC[N@H+]3Cc3ccccc3C)nn2c1C ZINC000257219697 568674318 /nfs/dbraw/zinc/67/43/18/568674318.db2.gz DHTKOXXOPSNTLR-VWLOTQADSA-N 1 1 447.627 4.841 40 0 IJABMO C[N@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1)Cc1ccc(F)cc1 ZINC000257229707 568678861 /nfs/dbraw/zinc/67/88/61/568678861.db2.gz FZEZZPSVOVTIBD-JOCHJYFZSA-N 1 1 441.934 4.853 40 0 IJABMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1)Cc1ccc(F)cc1 ZINC000257229707 568678864 /nfs/dbraw/zinc/67/88/64/568678864.db2.gz FZEZZPSVOVTIBD-JOCHJYFZSA-N 1 1 441.934 4.853 40 0 IJABMO Cc1cnc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4n[nH]c5ccc(C)cc54)C3)c2)s1 ZINC000257287494 568705600 /nfs/dbraw/zinc/70/56/00/568705600.db2.gz PQFPDZZDMMOFDA-INIZCTEOSA-N 1 1 432.553 4.713 40 0 IJABMO COc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1OC ZINC000257305175 568713580 /nfs/dbraw/zinc/71/35/80/568713580.db2.gz SOSKRYTWKCSMSB-INIZCTEOSA-N 1 1 433.430 4.762 40 0 IJABMO COc1cccc(-c2ccc3nc([C@H]4CCC[N@@H+](Cc5cnn(C(C)C)c5)C4)nn3c2)c1 ZINC000306132598 568767397 /nfs/dbraw/zinc/76/73/97/568767397.db2.gz LNJBQZKCCVYZRP-QFIPXVFZSA-N 1 1 430.556 4.562 40 0 IJABMO CCCC[C@@H](CC)CNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1 ZINC000263585306 569209376 /nfs/dbraw/zinc/20/93/76/569209376.db2.gz HDWMZLOXEHLERX-UFOFSCLASA-N 1 1 430.633 4.696 40 0 IJABMO CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000019083503 569226124 /nfs/dbraw/zinc/22/61/24/569226124.db2.gz DCRAEIHXTNGAGT-AZUAARDMSA-N 1 1 437.613 4.547 40 0 IJABMO CC(C)n1c(C[N@H+]2CC[C@@H](c3c4cccnc4sc3C(=O)N(C)C)C2)nc2ccccc21 ZINC000019702122 569231676 /nfs/dbraw/zinc/23/16/76/569231676.db2.gz WMOHLRWMLKZBHJ-QGZVFWFLSA-N 1 1 447.608 4.918 40 0 IJABMO COCc1cc(C[N@H+]2CC[C@@H](c3ccc4c(NC(C)C)n[nH]c4n3)C2)ccc1OC(C)C ZINC000019705094 569233993 /nfs/dbraw/zinc/23/39/93/569233993.db2.gz ZZOBZRHRFLLVPB-LJQANCHMSA-N 1 1 437.588 4.701 40 0 IJABMO COCc1cc(C[N@@H+]2CC[C@@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)ccc1OC(C)C ZINC000019705094 569233994 /nfs/dbraw/zinc/23/39/94/569233994.db2.gz ZZOBZRHRFLLVPB-LJQANCHMSA-N 1 1 437.588 4.701 40 0 IJABMO COCc1cc(C[N@H+]2CC[C@@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)ccc1OC(C)C ZINC000019705094 569233995 /nfs/dbraw/zinc/23/39/95/569233995.db2.gz ZZOBZRHRFLLVPB-LJQANCHMSA-N 1 1 437.588 4.701 40 0 IJABMO COc1ccc(OCCc2sc([C@@]3(O)CCC[N@H+](C4CCCC4)CC3)nc2C)cc1 ZINC000019705414 569234274 /nfs/dbraw/zinc/23/42/74/569234274.db2.gz VFEANWSPPNDWNJ-XMMPIXPASA-N 1 1 430.614 4.698 40 0 IJABMO CCN(C(=O)Cc1nc2cc(C)cc(C)c2[nH]1)[C@H]1CCO[C@@H](c2ccc(C[NH+](C)C)cc2)C1 ZINC000019711807 569235084 /nfs/dbraw/zinc/23/50/84/569235084.db2.gz XSTNZCXPTJTIFW-LADGPHEKSA-N 1 1 448.611 4.553 40 0 IJABMO CN(C)C(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CC[N@@H+](Cc2ccc3ncccc3c2)C1 ZINC000019739191 569236526 /nfs/dbraw/zinc/23/65/26/569236526.db2.gz MFPGRKDRJROJPQ-HHHXNRCGSA-N 1 1 446.595 4.794 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](Cc3cccc4cccnc43)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765138 569238822 /nfs/dbraw/zinc/23/88/22/569238822.db2.gz IKQHZGFPEOUMOU-QFIPXVFZSA-N 1 1 437.547 4.965 40 0 IJABMO CCOc1cc(C[NH2+]CCN(CC)CC)cc(Br)c1OCc1ccccc1 ZINC000022075448 520714946 /nfs/dbraw/zinc/71/49/46/520714946.db2.gz HUHPEGIZYXOCBI-UHFFFAOYSA-N 1 1 435.406 4.858 40 0 IJABMO CCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000036628408 521124348 /nfs/dbraw/zinc/12/43/48/521124348.db2.gz OLDXWACROQHYON-UHFFFAOYSA-N 1 1 445.954 4.800 40 0 IJABMO c1csc(-c2nc(NC[C@H]3CC[N@@H+](Cc4ccccc4)C3)ncc2-c2cnccn2)c1 ZINC000012184769 526575903 /nfs/dbraw/zinc/57/59/03/526575903.db2.gz VTDBGVLQHNQTHG-LJQANCHMSA-N 1 1 428.565 4.596 40 0 IJABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)CC1 ZINC000408571873 555915381 /nfs/dbraw/zinc/91/53/81/555915381.db2.gz CZVMLVUDPNYXOC-UHFFFAOYSA-N 1 1 439.408 4.894 40 0 IJABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(Cl)c1OCc1ccccc1Cl ZINC000408571994 555915612 /nfs/dbraw/zinc/91/56/12/555915612.db2.gz DSYGYEWCMPHORQ-UHFFFAOYSA-N 1 1 425.381 4.504 40 0 IJABMO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038855425 556625687 /nfs/dbraw/zinc/62/56/87/556625687.db2.gz DEEQJZBFFZPVSN-IEBWSBKVSA-N 1 1 427.976 4.719 40 0 IJABMO CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2)c1ccccn1 ZINC000019081730 556696420 /nfs/dbraw/zinc/69/64/20/556696420.db2.gz WKRLUOBMVGYSDK-RBBKRZOGSA-N 1 1 437.584 4.501 40 0 IJABMO c1ccc(COc2ccccc2C[N@H+]2CCOC[C@H](Cc3ccc4cnccc4c3)C2)nc1 ZINC000257201915 556701284 /nfs/dbraw/zinc/70/12/84/556701284.db2.gz AJQAPJYUUYCZAA-HSZRJFAPSA-N 1 1 439.559 4.900 40 0 IJABMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2)cc1OC ZINC000000843558 556720773 /nfs/dbraw/zinc/72/07/73/556720773.db2.gz ODDXTSDEFAPTLN-JWQCQUIFSA-N 1 1 438.487 4.508 40 0 IJABMO OC1(c2cccnc2)[C@@H]2CCC[C@H]1C[N@H+](Cc1ccc(OCc3cccc(F)c3)cc1)C2 ZINC000019293940 556733002 /nfs/dbraw/zinc/73/30/02/556733002.db2.gz PSTYOCVHJKZSJO-VKSRLUHHSA-N 1 1 432.539 4.919 40 0 IJABMO Cc1ccc2cc(C[N@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000000926543 556753449 /nfs/dbraw/zinc/75/34/49/556753449.db2.gz YXFMZFBYPLEWPK-UHFFFAOYSA-N 1 1 448.615 4.972 40 0 IJABMO Cc1ccc2cc(C[N@@H+](Cc3nnnn3C3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1C ZINC000000926543 556753451 /nfs/dbraw/zinc/75/34/51/556753451.db2.gz YXFMZFBYPLEWPK-UHFFFAOYSA-N 1 1 448.615 4.972 40 0 IJABMO Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CC[N@@H+](Cc4ccccn4)C3)n2)c1 ZINC000019401531 556753806 /nfs/dbraw/zinc/75/38/06/556753806.db2.gz ITCZWEIFDNOSRL-LJQANCHMSA-N 1 1 426.499 4.806 40 0 IJABMO CCc1ccccc1Nc1[nH+]c([C@H]2CCCN(C(=O)c3cnn(C)c3C)C2)c2sccn12 ZINC000019523112 556780378 /nfs/dbraw/zinc/78/03/78/556780378.db2.gz BAVLUZYXCVLXCX-SFHVURJKSA-N 1 1 448.596 4.764 40 0 IJABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3cnccn3)C2)c2sccn12 ZINC000019523107 556780510 /nfs/dbraw/zinc/78/05/10/556780510.db2.gz BEFUARDYYWHVEU-QGZVFWFLSA-N 1 1 432.553 4.512 40 0 IJABMO CCc1ccccc1Nc1[nH+]c([C@@H]2CCCN(C(=O)c3cnn(C)c3C)C2)c2sccn12 ZINC000019523111 556780582 /nfs/dbraw/zinc/78/05/82/556780582.db2.gz BAVLUZYXCVLXCX-GOSISDBHSA-N 1 1 448.596 4.764 40 0 IJABMO CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000019528737 556789092 /nfs/dbraw/zinc/78/90/92/556789092.db2.gz GBSXVOAPAHDIBB-NDEPHWFRSA-N 1 1 443.591 4.718 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c1OC ZINC000019564361 556805238 /nfs/dbraw/zinc/80/52/38/556805238.db2.gz ADZOIFOSRCVVKV-AWEZNQCLSA-N 1 1 435.446 4.947 40 0 IJABMO Cc1[nH+]ccn1CCC(=O)N1CCC(c2cc(Cc3ccccc3Cl)cc(C)n2)CC1 ZINC000019687069 556841967 /nfs/dbraw/zinc/84/19/67/556841967.db2.gz QYWDQQQTWOCXKE-UHFFFAOYSA-N 1 1 436.987 4.935 40 0 IJABMO Cc1[nH+]ccn1CCC(=O)N1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 ZINC000019691613 556847168 /nfs/dbraw/zinc/84/71/68/556847168.db2.gz DCSYTNWUPBJNNX-UHFFFAOYSA-N 1 1 436.987 4.935 40 0 IJABMO CC(C)c1ncc(C[NH+]2CCC([C@H]3CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)cn1 ZINC000019698451 556856690 /nfs/dbraw/zinc/85/66/90/556856690.db2.gz KFIBHDBGZPHLPO-XMMPIXPASA-N 1 1 436.575 4.556 40 0 IJABMO CCOc1cc(F)ccc1NC(=O)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019706082 556863858 /nfs/dbraw/zinc/86/38/58/556863858.db2.gz OFCQLKPSNDKLOK-LJQANCHMSA-N 1 1 434.515 4.646 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330437 556905521 /nfs/dbraw/zinc/90/55/21/556905521.db2.gz KCQUFYKEMYKCRU-XXBNENTESA-N 1 1 435.593 4.843 40 0 IJABMO Cn1c(C[N@@H+]2CCC[C@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)nc2ccccc21 ZINC000072330450 556905950 /nfs/dbraw/zinc/90/59/50/556905950.db2.gz NODOXBUYCGKNKP-IDISGSTGSA-N 1 1 445.611 4.618 40 0 IJABMO Cn1c(C[N@H+]2CCC[C@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)nc2ccccc21 ZINC000072330450 556905954 /nfs/dbraw/zinc/90/59/54/556905954.db2.gz NODOXBUYCGKNKP-IDISGSTGSA-N 1 1 445.611 4.618 40 0 IJABMO Cc1cccc(C[N@H+]2CCC[C@H](c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)C2)c1 ZINC000019765486 556909892 /nfs/dbraw/zinc/90/98/92/556909892.db2.gz GRTCFVDKEJPLGI-QFIPXVFZSA-N 1 1 432.543 4.542 40 0 IJABMO CCn1c(C[N@H+]2CCC[C@H]2Cc2c3ccccc3sc2C(=O)NC)nc2ccccc21 ZINC000072370352 556934613 /nfs/dbraw/zinc/93/46/13/556934613.db2.gz MJWOMNTXDYHIRQ-KRWDZBQOSA-N 1 1 432.593 4.838 40 0 IJABMO CC(=O)Nc1ccc(C[N@H+]2CCCCC[C@@H]2Cc2c3ccccc3sc2C(N)=O)cc1 ZINC000072370747 556936386 /nfs/dbraw/zinc/93/63/86/556936386.db2.gz RTUYXPRNKPDULF-HXUWFJFHSA-N 1 1 435.593 4.946 40 0 IJABMO CC(C)c1ncc(C[N@H+]2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000072371732 556940520 /nfs/dbraw/zinc/94/05/20/556940520.db2.gz WKECMUVHMWNMGN-GOSISDBHSA-N 1 1 425.964 4.588 40 0 IJABMO CC(C)c1ncc(C[N@@H+]2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000072371732 556940521 /nfs/dbraw/zinc/94/05/21/556940521.db2.gz WKECMUVHMWNMGN-GOSISDBHSA-N 1 1 425.964 4.588 40 0 IJABMO CC(C)c1ncc(C[N@H+]2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000072371732 556940522 /nfs/dbraw/zinc/94/05/22/556940522.db2.gz WKECMUVHMWNMGN-GOSISDBHSA-N 1 1 425.964 4.588 40 0 IJABMO Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2F)[nH+]1 ZINC000072372685 556943800 /nfs/dbraw/zinc/94/38/00/556943800.db2.gz ZLDMHFWUZSGQAX-JOCHJYFZSA-N 1 1 440.544 4.643 40 0 IJABMO OCCCn1cc(C[N@H+]2CCC[C@H]2c2cccc(Nc3nccs3)n2)c2ccccc21 ZINC000072375762 556952993 /nfs/dbraw/zinc/95/29/93/556952993.db2.gz MHSMGDSATPKFDD-QFIPXVFZSA-N 1 1 433.581 4.956 40 0 IJABMO COCCn1c(C)c(C[N@H+]2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)c2ccccc21 ZINC000072375779 556953062 /nfs/dbraw/zinc/95/30/62/556953062.db2.gz CXBXDJWBTQLUTE-XMMPIXPASA-N 1 1 442.567 4.862 40 0 IJABMO CCc1nnc(Nc2cccc([C@@H]3CCC[N@@H+](Cc4c(OC)cccc4OC)C3)n2)s1 ZINC000072376067 556953911 /nfs/dbraw/zinc/95/39/11/556953911.db2.gz QHMOAZLDGSWZRA-MRXNPFEDSA-N 1 1 439.585 4.636 40 0 IJABMO C=Cn1cc(C[NH+]2CCC(Cc3cc(-c4ccc(C)cc4)no3)(C(=O)OCC)CC2)c(C)n1 ZINC000072393975 556965270 /nfs/dbraw/zinc/96/52/70/556965270.db2.gz VAHGFHJJDVVOOY-UHFFFAOYSA-N 1 1 448.567 4.643 40 0 IJABMO COc1ccc2nc(C[N@H+]3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2c1 ZINC000072398597 556970345 /nfs/dbraw/zinc/97/03/45/556970345.db2.gz GJFHNYWRROEXLQ-CPJSRVTESA-N 1 1 446.595 4.754 40 0 IJABMO CCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(Cc4ccc(Cl)cc4)CC3)C2=O)cc1 ZINC000015084282 556977977 /nfs/dbraw/zinc/97/79/77/556977977.db2.gz VNAWPKITNHQNFL-QHCPKHFHSA-N 1 1 440.971 4.715 40 0 IJABMO COC(=O)c1c(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)sc2c1CCCC2 ZINC000020106856 556983031 /nfs/dbraw/zinc/98/30/31/556983031.db2.gz JVTIEMJOXUYTBD-INIZCTEOSA-N 1 1 426.582 4.898 40 0 IJABMO CC(C)c1snnc1C(=O)N1CCC[C@]2(CCC[N@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100348 557033972 /nfs/dbraw/zinc/03/39/72/557033972.db2.gz DLRBYCHMUDSKFU-QFIPXVFZSA-N 1 1 434.556 4.601 40 0 IJABMO Cc1ccc(CC(=O)N2CCC[C@@]3(C2)C[N@@H+](C(C)C)Cc2c(-c4ccccc4)ncn23)cc1 ZINC000585106737 557040933 /nfs/dbraw/zinc/04/09/33/557040933.db2.gz HAHBWLFUWLUOTP-MUUNZHRXSA-N 1 1 442.607 4.643 40 0 IJABMO CCOc1cc(CNCC[NH+](C)C)cc(Br)c1OCc1ccccc1Cl ZINC000023471956 557093598 /nfs/dbraw/zinc/09/35/98/557093598.db2.gz LHFMUYDDVVCKDN-UHFFFAOYSA-N 1 1 441.797 4.731 40 0 IJABMO COc1ccc(C[N@@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(F)c1 ZINC000096315921 557198515 /nfs/dbraw/zinc/19/85/15/557198515.db2.gz DLMQVVALRSWQEM-QHCPKHFHSA-N 1 1 435.547 4.788 40 0 IJABMO COc1ccc(C[N@H+]2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(F)c1 ZINC000096315921 557198517 /nfs/dbraw/zinc/19/85/17/557198517.db2.gz DLMQVVALRSWQEM-QHCPKHFHSA-N 1 1 435.547 4.788 40 0 IJABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 ZINC000013500094 557329926 /nfs/dbraw/zinc/32/99/26/557329926.db2.gz NLGSGZTVTPFZDZ-NRFANRHFSA-N 1 1 436.604 4.864 40 0 IJABMO Cc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)n2)cc1 ZINC000222596992 557358397 /nfs/dbraw/zinc/35/83/97/557358397.db2.gz GSAOYEWUKMDUAY-FQEVSTJZSA-N 1 1 438.959 4.569 40 0 IJABMO C[C@@H](O)C[N@@H+](Cc1cccn1Cc1ccc(Cl)c(Cl)c1)Cc1ccc2c(c1)OCO2 ZINC000013991920 557400077 /nfs/dbraw/zinc/40/00/77/557400077.db2.gz HITMOMIPLSSFHT-MRXNPFEDSA-N 1 1 447.362 4.955 40 0 IJABMO CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000014397873 557435830 /nfs/dbraw/zinc/43/58/30/557435830.db2.gz FFSWRIUEMQYMPN-SANMLTNESA-N 1 1 444.575 4.786 40 0 IJABMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1cccc(C)c1 ZINC000224114470 557563062 /nfs/dbraw/zinc/56/30/62/557563062.db2.gz QPFKTAKDFGVWIQ-UHFFFAOYSA-N 1 1 430.548 4.541 40 0 IJABMO CCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1COc1ccccc1 ZINC000224366068 557598626 /nfs/dbraw/zinc/59/86/26/557598626.db2.gz WGHFHAUTLWMMRR-UHFFFAOYSA-N 1 1 430.548 4.622 40 0 IJABMO O=C(NCCOc1ccc(Cl)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000224548837 557620938 /nfs/dbraw/zinc/62/09/38/557620938.db2.gz OFHVWYXHVDGJKB-UHFFFAOYSA-N 1 1 425.331 4.540 40 0 IJABMO C[C@@H]1CCC[N@@H+](CCCOc2ccc(NC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 ZINC000225561786 557742592 /nfs/dbraw/zinc/74/25/92/557742592.db2.gz DCLRXYAGNXGAIA-JOCHJYFZSA-N 1 1 436.596 4.874 40 0 IJABMO CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579393 557746292 /nfs/dbraw/zinc/74/62/92/557746292.db2.gz ABSOOMHOVYFCSG-MRXNPFEDSA-N 1 1 445.966 4.858 40 0 IJABMO Cc1cccc2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc12 ZINC000226035358 557801874 /nfs/dbraw/zinc/80/18/74/557801874.db2.gz DQBRAWSEXFPBNH-UHFFFAOYSA-N 1 1 438.527 4.649 40 0 IJABMO COc1ccc2c(C[N@@H+]3CCO[C@H](c4cccc(Nc5nc(C)cs5)n4)C3)cn(C)c2c1 ZINC000257217950 568673383 /nfs/dbraw/zinc/67/33/83/568673383.db2.gz DBGNYDXJEMFSND-QFIPXVFZSA-N 1 1 449.580 4.664 40 0 IJABMO COc1ccc2c(C[N@H+]3CCO[C@H](c4cccc(Nc5nc(C)cs5)n4)C3)cn(C)c2c1 ZINC000257217950 568673387 /nfs/dbraw/zinc/67/33/87/568673387.db2.gz DBGNYDXJEMFSND-QFIPXVFZSA-N 1 1 449.580 4.664 40 0 IJABMO Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)c3cccc4ncccc43)CCO2)[nH+]1 ZINC000257263399 568694683 /nfs/dbraw/zinc/69/46/83/568694683.db2.gz LPTKEEHTDFIRNL-DEOSSOPVSA-N 1 1 439.519 4.599 40 0 IJABMO COc1cccc(Cc2ccc(C3CCN(C(=O)CC[N@H+]4CCC[C@@H](C)C4)CC3)nc2)c1 ZINC000257296878 568709870 /nfs/dbraw/zinc/70/98/70/568709870.db2.gz REUDORLCZMKHMA-OAQYLSRUSA-N 1 1 435.612 4.509 40 0 IJABMO CCN1CC[N@@H+](Cc2ccc3cc[nH]c3c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257331819 568725157 /nfs/dbraw/zinc/72/51/57/568725157.db2.gz XUKAGJVTQGTFTB-RUZDIDTESA-N 1 1 438.575 4.753 40 0 IJABMO C[N@@H+](Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1)[C@@H]1CCC[C@@H](O)[C@@H]1O ZINC000257335629 568726799 /nfs/dbraw/zinc/72/67/99/568726799.db2.gz YLCXOUOQHLQANZ-STROYTFGSA-N 1 1 447.575 4.551 40 0 IJABMO O=C1N(CC2CC2)CC[C@@]12C[N@H+](C(c1ccccc1)c1ccccc1)C[C@H]2c1cccnc1 ZINC000306136953 568769694 /nfs/dbraw/zinc/76/96/94/568769694.db2.gz QHGPRPYRTHWFAX-WNJJXGMVSA-N 1 1 437.587 4.899 40 0 IJABMO O=C(Cc1csc(-c2ccccc2)n1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198618 568921739 /nfs/dbraw/zinc/92/17/39/568921739.db2.gz DQWLWHLGJIMHCR-JIEYXDDVSA-N 1 1 433.621 4.774 40 0 IJABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019450866 569226545 /nfs/dbraw/zinc/22/65/45/569226545.db2.gz PAXPZFAIOXDMHG-BKMJKUGQSA-N 1 1 444.579 4.647 40 0 IJABMO COCc1cc(C[N@H+]2CC[C@H](c3ccc4c(NC(C)C)n[nH]c4n3)C2)ccc1OC(C)C ZINC000019705095 569233950 /nfs/dbraw/zinc/23/39/50/569233950.db2.gz ZZOBZRHRFLLVPB-IBGZPJMESA-N 1 1 437.588 4.701 40 0 IJABMO COCc1cc(C[N@@H+]2CC[C@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)ccc1OC(C)C ZINC000019705095 569233951 /nfs/dbraw/zinc/23/39/51/569233951.db2.gz ZZOBZRHRFLLVPB-IBGZPJMESA-N 1 1 437.588 4.701 40 0 IJABMO COCc1cc(C[N@H+]2CC[C@H](c3ccc4c(n[nH]c4NC(C)C)n3)C2)ccc1OC(C)C ZINC000019705095 569233952 /nfs/dbraw/zinc/23/39/52/569233952.db2.gz ZZOBZRHRFLLVPB-IBGZPJMESA-N 1 1 437.588 4.701 40 0 IJABMO CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C)[C@H]2CCCCC(=O)N3Cc2ccccc2C)cc1 ZINC000019713725 569235676 /nfs/dbraw/zinc/23/56/76/569235676.db2.gz BRKXMQHVLYAHJI-XNMGPUDCSA-N 1 1 433.596 4.889 40 0 IJABMO Cc1nc([C@H]2CCC[N@H+]2CCc2ccccc2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000019696061 569326808 /nfs/dbraw/zinc/32/68/08/569326808.db2.gz ZPQZZYQDWFHDDM-RUZDIDTESA-N 1 1 440.591 4.687 40 0 IJABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)n1 ZINC000019766695 569329268 /nfs/dbraw/zinc/32/92/68/569329268.db2.gz HGVCMMZACGAFPW-VWLOTQADSA-N 1 1 437.547 4.600 40 0 IJABMO CC[C@@H](OC[C@H](O)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000034930425 523035288 /nfs/dbraw/zinc/03/52/88/523035288.db2.gz WJDHCLOFZSSEQT-VSGBNLITSA-N 1 1 444.619 4.922 40 0 IJABMO COc1ccc(C)cc1C[N@H+]1CCC[C@@H]([C@H](NC(=O)c2ccccc2)c2nccs2)C1 ZINC000035360902 523810743 /nfs/dbraw/zinc/81/07/43/523810743.db2.gz LOIOGLKPSFDZTF-OFNKIYASSA-N 1 1 435.593 4.843 40 0 IJABMO COc1ccc(NC(=O)C[NH+]2CCC3(C=Cc4cc(Cl)c(C)cc4O3)CC2)cc1OC ZINC000012187980 524493858 /nfs/dbraw/zinc/49/38/58/524493858.db2.gz KDKJONOZCMEAGU-UHFFFAOYSA-N 1 1 442.943 4.545 40 0 IJABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)N1c2ccccc2CCc2ccccc21 ZINC000012114533 526823308 /nfs/dbraw/zinc/82/33/08/526823308.db2.gz SYMLRGONRATZDC-RRZWQVKKSA-N 1 1 428.532 4.558 40 0 IJABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccco1)C2)N1c2ccccc2CCc2ccccc21 ZINC000012114533 526823314 /nfs/dbraw/zinc/82/33/14/526823314.db2.gz SYMLRGONRATZDC-RRZWQVKKSA-N 1 1 428.532 4.558 40 0 IJABMO O=S1(=O)[C@@H]([C@@H](c2ccccc2)[NH+]2CCCCC2)[C@H](N2CCCCC2)[C@@H]1c1ccccc1 ZINC000004973114 556024747 /nfs/dbraw/zinc/02/47/47/556024747.db2.gz KJCFJAOAXVRAHX-XPGKHFPBSA-N 1 1 438.637 4.606 40 0 IJABMO CC[C@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)Cc1nccc2ccccc21 ZINC000005011877 556028289 /nfs/dbraw/zinc/02/82/89/556028289.db2.gz DDZUATJAAJLKIR-IUGBQFMMSA-N 1 1 432.564 4.555 40 0 IJABMO CC[C@@H](Oc1ccccc1F)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408694406 556096550 /nfs/dbraw/zinc/09/65/50/556096550.db2.gz FVHLXRLVYKKEAV-XMMPIXPASA-N 1 1 432.539 4.917 40 0 IJABMO CCCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000036628161 556599079 /nfs/dbraw/zinc/59/90/79/556599079.db2.gz ABVCDWWVHNTIFI-UHFFFAOYSA-N 1 1 425.536 4.536 40 0 IJABMO CC(C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000038854386 556625472 /nfs/dbraw/zinc/62/54/72/556625472.db2.gz FEXFLAADQDCJKY-UHFFFAOYSA-N 1 1 448.394 4.982 40 0 IJABMO Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 ZINC000044905450 556679728 /nfs/dbraw/zinc/67/97/28/556679728.db2.gz CFGRPNRIIHYCNP-UHFFFAOYSA-N 1 1 429.495 4.888 40 0 IJABMO COc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1 ZINC000044933231 556682460 /nfs/dbraw/zinc/68/24/60/556682460.db2.gz RSUIAPFWUNMJBC-INIZCTEOSA-N 1 1 431.374 4.547 40 0 IJABMO CC(=O)OCc1ccc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)o1 ZINC000019023031 556694577 /nfs/dbraw/zinc/69/45/77/556694577.db2.gz VYDZBRVBPSXIDS-NRFANRHFSA-N 1 1 438.480 4.844 40 0 IJABMO CC(=O)OCc1ccc(C[N@H+]2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)o1 ZINC000019023031 556694580 /nfs/dbraw/zinc/69/45/80/556694580.db2.gz VYDZBRVBPSXIDS-NRFANRHFSA-N 1 1 438.480 4.844 40 0 IJABMO c1cnc(Oc2cccc(C[N@@H+]3CCOC[C@@H](Cc4cncc5ccccc54)C3)c2)nc1 ZINC000257313073 556703428 /nfs/dbraw/zinc/70/34/28/556703428.db2.gz UQXXRWHOLGVZQG-NRFANRHFSA-N 1 1 426.520 4.508 40 0 IJABMO O=C(Cc1ccc(F)cc1)N[C@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257223905 556708170 /nfs/dbraw/zinc/70/81/70/556708170.db2.gz DZKJCPJXMYSFBE-LVXARBLLSA-N 1 1 435.518 4.672 40 0 IJABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCC[N@H+]1Cc1cnc(C(C)C)nc1 ZINC000019219885 556714373 /nfs/dbraw/zinc/71/43/73/556714373.db2.gz CMQKVZTUJDKQPQ-SFHVURJKSA-N 1 1 444.501 4.907 40 0 IJABMO Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCC[N@@H+]1Cc1cnc(C(C)C)nc1 ZINC000019219885 556714377 /nfs/dbraw/zinc/71/43/77/556714377.db2.gz CMQKVZTUJDKQPQ-SFHVURJKSA-N 1 1 444.501 4.907 40 0 IJABMO C=Cn1cc(C[N@H+]2CCC[C@H]2Cn2c3ccc(C)cc3c(=O)cc2C(F)(F)F)c(C)n1 ZINC000019219876 556714550 /nfs/dbraw/zinc/71/45/50/556714550.db2.gz CEXYPBPASATPBW-SFHVURJKSA-N 1 1 430.474 4.599 40 0 IJABMO Cc1cccc(C[N@@H+]2CCC[C@](Cc3ccccc3-c3cccnc3)(C(=O)NC(C)C)C2)n1 ZINC000019236192 556720742 /nfs/dbraw/zinc/72/07/42/556720742.db2.gz VIRBOBNXBYOXGG-MUUNZHRXSA-N 1 1 442.607 4.802 40 0 IJABMO Cc1cccc(C[N@@H+]2CCC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1 ZINC000019236184 556720911 /nfs/dbraw/zinc/72/09/11/556720911.db2.gz YNOPVAQXLUOOFQ-MUUNZHRXSA-N 1 1 442.607 4.802 40 0 IJABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)CC[C@@H]21 ZINC000019292954 556732612 /nfs/dbraw/zinc/73/26/12/556732612.db2.gz CYKCENRBQKWVLY-JTAQYXEDSA-N 1 1 439.531 4.552 40 0 IJABMO CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCC[N@H+](C2CCOCC2)C1 ZINC000019448919 556759104 /nfs/dbraw/zinc/75/91/04/556759104.db2.gz UGEUBSDEUXTAGA-RUZDIDTESA-N 1 1 426.626 4.743 40 0 IJABMO CC(C)Oc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2Cc2ccccc2)cc1 ZINC000019450559 556761622 /nfs/dbraw/zinc/76/16/22/556761622.db2.gz UJKQGGCNTMNITC-GYKVFZPVSA-N 1 1 445.607 4.838 40 0 IJABMO CC(C)c1ncc(C[NH+]2CCC([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)cn1 ZINC000019453992 556764344 /nfs/dbraw/zinc/76/43/44/556764344.db2.gz DSEWQUNTJARHJZ-XMMPIXPASA-N 1 1 447.558 4.517 40 0 IJABMO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000019500909 556772711 /nfs/dbraw/zinc/77/27/11/556772711.db2.gz MRAVUJGLEKUTNH-UWVAXJGDSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000019500909 556772713 /nfs/dbraw/zinc/77/27/13/556772713.db2.gz MRAVUJGLEKUTNH-UWVAXJGDSA-N 1 1 449.521 4.626 40 0 IJABMO CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000019503557 556775310 /nfs/dbraw/zinc/77/53/10/556775310.db2.gz RDAIIKONXRQEEB-MUUNZHRXSA-N 1 1 442.607 4.803 40 0 IJABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)Cc4ccccc4)C[C@@H]32)cc1 ZINC000019557630 556799819 /nfs/dbraw/zinc/79/98/19/556799819.db2.gz NAAWOPRLFCWQSH-JCYYIGJDSA-N 1 1 440.587 4.754 40 0 IJABMO COc1cccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)no2)c1 ZINC000019565598 556806309 /nfs/dbraw/zinc/80/63/09/556806309.db2.gz CGICFAZWQOABLS-LJQANCHMSA-N 1 1 439.943 4.646 40 0 IJABMO COc1cccc2ccc(C[N@H+]3CCC[C@@H](c4cc(C(=O)NC5CCCCC5)on4)C3)nc21 ZINC000019568451 556808509 /nfs/dbraw/zinc/80/85/09/556808509.db2.gz CHMXAXZWTBLSFG-LJQANCHMSA-N 1 1 448.567 4.674 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019568886 556808920 /nfs/dbraw/zinc/80/89/20/556808920.db2.gz LDCOBNLGPJDKHU-HNNXBMFYSA-N 1 1 435.446 4.947 40 0 IJABMO COCC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000019592994 556829123 /nfs/dbraw/zinc/82/91/23/556829123.db2.gz ARSCLKAEHBOKHS-WNCULLNHSA-N 1 1 447.554 4.604 40 0 IJABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 ZINC000019688022 556842698 /nfs/dbraw/zinc/84/26/98/556842698.db2.gz QVAKUMAVCCZEFO-QFIPXVFZSA-N 1 1 442.485 4.950 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@H](c3ccc4c(NCc5cccc(C)n5)n[nH]c4n3)C2)c1 ZINC000019742885 556886694 /nfs/dbraw/zinc/88/66/94/556886694.db2.gz COWMBQZAJKGTOI-HXUWFJFHSA-N 1 1 442.567 4.662 40 0 IJABMO COc1cccc(C[N@@H+]2CCC[C@@H](c3ccc4c(n[nH]c4NCc4cccc(C)n4)n3)C2)c1 ZINC000019742885 556886696 /nfs/dbraw/zinc/88/66/96/556886696.db2.gz COWMBQZAJKGTOI-HXUWFJFHSA-N 1 1 442.567 4.662 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@H](c3ccc4c(n[nH]c4NCc4cccc(C)n4)n3)C2)c1 ZINC000019742885 556886698 /nfs/dbraw/zinc/88/66/98/556886698.db2.gz COWMBQZAJKGTOI-HXUWFJFHSA-N 1 1 442.567 4.662 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330520 556906314 /nfs/dbraw/zinc/90/63/14/556906314.db2.gz DEWBTMKTRLMKPD-OFVILXPXSA-N 1 1 447.554 4.921 40 0 IJABMO Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCC[N@@H+](Cc3ccc4nccnc4c3)C2)n1 ZINC000072346150 556917380 /nfs/dbraw/zinc/91/73/80/556917380.db2.gz WYGYFVQYZPMYJL-GOSISDBHSA-N 1 1 430.943 4.702 40 0 IJABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352290 556923699 /nfs/dbraw/zinc/92/36/99/556923699.db2.gz ZKQUTGFSZZOYFC-SFHVURJKSA-N 1 1 447.604 4.759 40 0 IJABMO CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)c1 ZINC000072359230 556932516 /nfs/dbraw/zinc/93/25/16/556932516.db2.gz WWFMGABFSUNMJZ-QFIPXVFZSA-N 1 1 425.536 4.963 40 0 IJABMO NC(=O)c1sc2ccccc2c1C[C@@H]1CCC[N@H+]1Cc1ccc(Oc2ncccn2)cc1 ZINC000072370309 556934492 /nfs/dbraw/zinc/93/44/92/556934492.db2.gz YHHYGCBCOTZMLB-SFHVURJKSA-N 1 1 444.560 4.790 40 0 IJABMO CNC(=O)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1ccc(OC)c(OC)c1 ZINC000072370600 556935751 /nfs/dbraw/zinc/93/57/51/556935751.db2.gz PMOKZHHFBMGGRY-GOSISDBHSA-N 1 1 438.593 4.875 40 0 IJABMO Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)CCn2ncc3ccccc32)[nH+]1 ZINC000072372563 556943107 /nfs/dbraw/zinc/94/31/07/556943107.db2.gz PCXCKGQUSIXTCK-HSZRJFAPSA-N 1 1 444.514 4.771 40 0 IJABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)COc3ccc(F)cc3)c2)s1 ZINC000072372660 556943664 /nfs/dbraw/zinc/94/36/64/556943664.db2.gz ZGBOYVKOBAKIIC-FQEVSTJZSA-N 1 1 426.517 4.780 40 0 IJABMO CC(C)Oc1cccc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398670 556970687 /nfs/dbraw/zinc/97/06/87/556970687.db2.gz PAXPZFAIOXDMHG-NVQXNPDNSA-N 1 1 444.579 4.647 40 0 IJABMO CCOC(=O)c1c(NC(=O)C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2cc(C)ccc2n1C ZINC000005489044 557080753 /nfs/dbraw/zinc/08/07/53/557080753.db2.gz SMKZYIYUHJGHAD-GKVSMKOHSA-N 1 1 425.573 4.503 40 0 IJABMO O=C(NCCCN1CCCc2ccccc21)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000260511927 557167430 /nfs/dbraw/zinc/16/74/30/557167430.db2.gz SZEYBJUGBGQYNT-QFIPXVFZSA-N 1 1 426.004 4.511 40 0 IJABMO COc1ccccc1-c1cccc(C[N@H+]2CCOC[C@@H](Cc3ccc4cc[nH]c4n3)C2)c1 ZINC000585261956 557198001 /nfs/dbraw/zinc/19/80/01/557198001.db2.gz NIYJZVZLFHQOLX-NRFANRHFSA-N 1 1 427.548 4.930 40 0 IJABMO Cc1cccc(CNC(=O)C2(Cc3cccc([C@@H]4CCC[N@H+](C)C4)c3)CCOCC2)c1C ZINC000072372275 557388441 /nfs/dbraw/zinc/38/84/41/557388441.db2.gz WJYAUZUKBWMVGR-AREMUKBSSA-N 1 1 434.624 4.768 40 0 IJABMO CC[C@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)c(OC)c1 ZINC000225587974 557748082 /nfs/dbraw/zinc/74/80/82/557748082.db2.gz CIDMTUPZJIYJQZ-NRFANRHFSA-N 1 1 448.966 4.976 40 0 IJABMO COc1cccc(OC)c1CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906694 557790532 /nfs/dbraw/zinc/79/05/32/557790532.db2.gz CMSKWNIVUVEOKH-MRXNPFEDSA-N 1 1 437.367 4.539 40 0 IJABMO COc1cccc(OC)c1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1 ZINC000225906694 557790536 /nfs/dbraw/zinc/79/05/36/557790536.db2.gz CMSKWNIVUVEOKH-MRXNPFEDSA-N 1 1 437.367 4.539 40 0 IJABMO Cc1ccc(C2(C(=O)Nc3ccc(OCC[N@@H+]4CCC[C@H](C)C4)cc3)CCOCC2)cc1 ZINC000260814477 557857307 /nfs/dbraw/zinc/85/73/07/557857307.db2.gz JERZPZLGMXXJTO-QFIPXVFZSA-N 1 1 436.596 4.793 40 0 IJABMO Cc1ccccc1C[N@@H+]1CCCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257278958 568701667 /nfs/dbraw/zinc/70/16/67/568701667.db2.gz OEJVUDGIGUKYJQ-RUZDIDTESA-N 1 1 445.611 4.593 40 0 IJABMO Cc1ccccc1C[N@H+]1CCCC[C@@H]1c1cc2nc(C)c(CCC(=O)NC3CC3)c(C)n2n1 ZINC000257278958 568701669 /nfs/dbraw/zinc/70/16/69/568701669.db2.gz OEJVUDGIGUKYJQ-RUZDIDTESA-N 1 1 445.611 4.593 40 0 IJABMO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)c1 ZINC000257309639 568715417 /nfs/dbraw/zinc/71/54/17/568715417.db2.gz UBTVAVUEOJFFNO-RUZDIDTESA-N 1 1 445.611 4.593 40 0 IJABMO Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cc3nc(C)c(CCC(=O)NC4CC4)c(C)n3n2)c1 ZINC000257309639 568715421 /nfs/dbraw/zinc/71/54/21/568715421.db2.gz UBTVAVUEOJFFNO-RUZDIDTESA-N 1 1 445.611 4.593 40 0 IJABMO COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCCN(Cc3ccccc3Cl)C2)[N@@H+](C)C1 ZINC000019587551 569227344 /nfs/dbraw/zinc/22/73/44/569227344.db2.gz FJMHRDVMGPGWHF-VIZSFHNOSA-N 1 1 442.003 4.520 40 0 IJABMO COCc1ccc(OC)c(C[N@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)c1 ZINC000019704372 569233289 /nfs/dbraw/zinc/23/32/89/569233289.db2.gz QBBVFPHABMHCRO-SFHVURJKSA-N 1 1 441.959 4.787 40 0 IJABMO COCc1ccc(OC)c(C[N@@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)c1 ZINC000019704372 569233290 /nfs/dbraw/zinc/23/32/90/569233290.db2.gz QBBVFPHABMHCRO-SFHVURJKSA-N 1 1 441.959 4.787 40 0 IJABMO COCc1ccc(OC)c(C[N@H+]2CC[C@H](c3cc(COc4ccc(Cl)cc4)n[nH]3)C2)c1 ZINC000019704372 569233291 /nfs/dbraw/zinc/23/32/91/569233291.db2.gz QBBVFPHABMHCRO-SFHVURJKSA-N 1 1 441.959 4.787 40 0 IJABMO COc1ccc2c(C[N@H+]3CC[C@@H](c4cc(COc5ccccc5F)[nH]n4)C3)cn(C)c2c1 ZINC000019704359 569233331 /nfs/dbraw/zinc/23/33/31/569233331.db2.gz VGYLELAMLHGFAZ-QGZVFWFLSA-N 1 1 434.515 4.618 40 0 IJABMO COc1ccc2c(C[N@@H+]3CC[C@@H](c4cc(COc5ccccc5F)n[nH]4)C3)cn(C)c2c1 ZINC000019704359 569233332 /nfs/dbraw/zinc/23/33/32/569233332.db2.gz VGYLELAMLHGFAZ-QGZVFWFLSA-N 1 1 434.515 4.618 40 0 IJABMO COc1ccc2c(C[N@H+]3CC[C@@H](c4cc(COc5ccccc5F)n[nH]4)C3)cn(C)c2c1 ZINC000019704359 569233333 /nfs/dbraw/zinc/23/33/33/569233333.db2.gz VGYLELAMLHGFAZ-QGZVFWFLSA-N 1 1 434.515 4.618 40 0 IJABMO Cc1ncc(C[N@H+]2CCC[C@](O)(c3nc(C)c(CCOc4ccccc4)s3)CC2)s1 ZINC000019705237 569234146 /nfs/dbraw/zinc/23/41/46/569234146.db2.gz XIYCCSPKTQZDMR-HSZRJFAPSA-N 1 1 443.638 4.712 40 0 IJABMO COc1ccc(NC(=O)c2cnc([C@@H]3CC[N@@H+](Cc4ccc(C)c(C)c4)C3)nc2C)cc1 ZINC000019766204 569239308 /nfs/dbraw/zinc/23/93/08/569239308.db2.gz DHYIEXMPHVNWRH-OAQYLSRUSA-N 1 1 430.552 4.652 40 0 IJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)CC1 ZINC000020241847 569241389 /nfs/dbraw/zinc/24/13/89/569241389.db2.gz ZSGXSOKTWZTUIS-UHFFFAOYSA-N 1 1 429.564 4.887 40 0 IJABMO FC(F)(F)Oc1ccc2c(c1)CCN(c1cc(C3CC3)[nH+]c(NCc3ccccc3)n1)C2 ZINC000329000637 569582900 /nfs/dbraw/zinc/58/29/00/569582900.db2.gz KAFHRBZDUSTASB-UHFFFAOYSA-N 1 1 440.469 5.427 40 0 IJABMO CN(C)c1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4cccc(OC(F)(F)F)c4)C3)o2)cc1 ZINC000049170260 291390136 /nfs/dbraw/zinc/39/01/36/291390136.db2.gz DYYSSPQPTDLRQW-KRWDZBQOSA-N 1 1 432.446 4.691 40 0 biogenic,in-vitro IJABMO COc1ccc(-c2cccc(C[N@H+]3CCC[C@@H]([C@@H](NC(C)=O)c4nccs4)C3)c2)cc1 ZINC000012157694 523140386 /nfs/dbraw/zinc/14/03/86/523140386.db2.gz RBYHDNJXBCXYID-ISKFKSNPSA-N 1 1 435.593 4.908 40 0 IJABMO COc1ccc(CC[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)cc1OC ZINC000012113173 523978427 /nfs/dbraw/zinc/97/84/27/523978427.db2.gz MFFBDBNJEMASCK-FTJBHMTQSA-N 1 1 430.592 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ZINC000257285905 568704769 /nfs/dbraw/zinc/70/47/69/568704769.db2.gz PJJRNASKHYHWOK-HSZRJFAPSA-N 1 1 434.628 4.773 40 0 IJABMO COc1ccccc1CC(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000257312919 568716769 /nfs/dbraw/zinc/71/67/69/568716769.db2.gz UQESDCXLRAISCI-AMGIVPHBSA-N 1 1 447.554 4.542 40 0 IJABMO COc1ccc(CCN2CCc3nc([C@@H]4CCC[N@H+]4C4CCCCC4)ccc3C2=O)cc1 ZINC000257325932 568722837 /nfs/dbraw/zinc/72/28/37/568722837.db2.gz WVBXKFUCRROKCX-SANMLTNESA-N 1 1 433.596 4.801 40 0 IJABMO Cc1nc2cc([C@@H]3CCCC[N@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257343315 568729907 /nfs/dbraw/zinc/72/99/07/568729907.db2.gz ZSJLZWPILRCYSQ-DEOSSOPVSA-N 1 1 437.632 4.665 40 0 IJABMO Cc1nc([C@@]2(O)CCC[N@@H+](CCc3ccccc3)CC2)sc1CCOc1ccccc1 ZINC000019738737 568752460 /nfs/dbraw/zinc/75/24/60/568752460.db2.gz AVQSDBIRBJCDLB-AREMUKBSSA-N 1 1 436.621 4.989 40 0 IJABMO CCc1cc([C@H](c2ccc(OC)cc2)N2CC[NH+](C)CC2)c(NC(=O)c2ccccc2)s1 ZINC000001298682 568897584 /nfs/dbraw/zinc/89/75/84/568897584.db2.gz KRTPZZZUKHYMAS-DEOSSOPVSA-N 1 1 449.620 4.908 40 0 IJABMO CNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000247941372 569206573 /nfs/dbraw/zinc/20/65/73/569206573.db2.gz IMLRRYFTIZEGKX-RBISFHTESA-N 1 1 442.607 4.708 40 0 IJABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000019348943 569226382 /nfs/dbraw/zinc/22/63/82/569226382.db2.gz STTHLGGGRBVDEF-SIKLNZKXSA-N 1 1 431.502 4.970 40 0 IJABMO CCc1nc(-c2cncnc2[C@@H]2CC[N@@H+](Cc3cn(C(C)C)c4ccc(OC)cc34)C2)no1 ZINC000019693726 569229103 /nfs/dbraw/zinc/22/91/03/569229103.db2.gz ACAINRFRPDBBJL-QGZVFWFLSA-N 1 1 446.555 4.623 40 0 IJABMO O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3F)[N@@H+]2Cc2cnn(C3CCCCC3)c2)N1 ZINC000019713913 569235805 /nfs/dbraw/zinc/23/58/05/569235805.db2.gz YDNNLIVYEISBBF-PZUNEJSGSA-N 1 1 438.591 4.772 40 0 IJABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2c(C)nn(C(C)C)c2C)cc1 ZINC000019713840 569235824 /nfs/dbraw/zinc/23/58/24/569235824.db2.gz BBCULDAIZRZWNZ-RPBOFIJWSA-N 1 1 438.616 4.635 40 0 IJABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc3[nH]ccc3c2)ncc1C(=O)NCc1ccccc1 ZINC000019754098 569328512 /nfs/dbraw/zinc/32/85/12/569328512.db2.gz YYGGDCQNAVXEIK-VWLOTQADSA-N 1 1 439.563 4.924 40 0 IJABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccc3[nH]ccc3c2)ncc1C(=O)NCc1ccccc1 ZINC000019754098 569328513 /nfs/dbraw/zinc/32/85/13/569328513.db2.gz YYGGDCQNAVXEIK-VWLOTQADSA-N 1 1 439.563 4.924 40 0 IJABMO Cc1c2ccccc2oc1-c1nnc2sc(CC[N@H+]3CC[C@H](c4ccccc4)C3)nn21 ZINC000096194461 569386356 /nfs/dbraw/zinc/38/63/56/569386356.db2.gz VVMUSUFGNRHNTB-SFHVURJKSA-N 1 1 429.549 4.939 40 0 IJABMO Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3[nH+]c4ccccn4c3NC(C)(C)C)C2)s1 ZINC000012088158 526707278 /nfs/dbraw/zinc/70/72/78/526707278.db2.gz UVKCBVXJDCEAQE-QGZVFWFLSA-N 1 1 425.602 4.567 40 0 IJABMO Cc1cccc(N2CCN(C(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)CC2)c1C ZINC000408575777 555926301 /nfs/dbraw/zinc/92/63/01/555926301.db2.gz QZHOSKQQMRFZTF-UHFFFAOYSA-N 1 1 439.603 4.824 40 0 IJABMO COc1cc(C(=S)N2CC[NH+](C)CC2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408577897 555929314 /nfs/dbraw/zinc/92/93/14/555929314.db2.gz VNUMNCNQAMQVPJ-UHFFFAOYSA-N 1 1 425.381 4.504 40 0 IJABMO COc1ccc([C@H]2c3cc4c(cc3O[C@@]3([NH+]5CCCC5)CCCC[C@H]23)OCO4)c(OC)c1 ZINC000005554749 556058982 /nfs/dbraw/zinc/05/89/82/556058982.db2.gz NOXRJBMKQNUDGB-BQQUOAEZSA-N 1 1 437.536 4.939 40 0 IJABMO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000038831288 556621779 /nfs/dbraw/zinc/62/17/79/556621779.db2.gz HJFOPGXSEFPCIY-UHFFFAOYSA-N 1 1 440.031 4.854 40 0 IJABMO C[C@@]1(O)CC[N@@H+](CCCc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514290059 556626178 /nfs/dbraw/zinc/62/61/78/556626178.db2.gz XAPUYSKSLJQUSU-KYPHJKQUSA-N 1 1 434.605 4.677 40 0 biogenic,in-vitro IJABMO O=C(NCCSCc1ccco1)C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1 ZINC000044786532 556667659 /nfs/dbraw/zinc/66/76/59/556667659.db2.gz LZRLNRIBPVUOIR-UHFFFAOYSA-N 1 1 427.397 4.848 40 0 IJABMO COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000044855613 556671975 /nfs/dbraw/zinc/67/19/75/556671975.db2.gz XJPNKAZWDHNSLG-GCJKJVERSA-N 1 1 442.987 4.979 40 0 IJABMO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1)c1ccc(OC)c(OC)c1 ZINC000044856774 556672542 /nfs/dbraw/zinc/67/25/42/556672542.db2.gz UTHOPGUKPIFXRX-TZIWHRDSSA-N 1 1 430.976 4.837 40 0 IJABMO CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000019081832 556696373 /nfs/dbraw/zinc/69/63/73/556696373.db2.gz OCZGADVLIXWQPP-LAUBAEHRSA-N 1 1 443.975 4.579 40 0 IJABMO c1ccc(COc2ccccc2C[N@H+]2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)nc1 ZINC000257222348 556707848 /nfs/dbraw/zinc/70/78/48/556707848.db2.gz DSXYWFBYFQCRCP-QHCPKHFHSA-N 1 1 439.559 4.900 40 0 IJABMO Cc1ccc(C[N@H+]2CCc3c(nc(-c4ccccn4)nc3NCCCOC(C)C)C2)cc1 ZINC000019210382 556708860 /nfs/dbraw/zinc/70/88/60/556708860.db2.gz CHQAQNPXEPPKDJ-UHFFFAOYSA-N 1 1 431.584 4.632 40 0 IJABMO Cc1ccc(C[N@@H+]2CCc3c(nc(-c4ccccn4)nc3NCCCOC(C)C)C2)cc1 ZINC000019210382 556708861 /nfs/dbraw/zinc/70/88/61/556708861.db2.gz CHQAQNPXEPPKDJ-UHFFFAOYSA-N 1 1 431.584 4.632 40 0 IJABMO C[C@H]1CCCC[N@H+]1CCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257268013 556713423 /nfs/dbraw/zinc/71/34/23/556713423.db2.gz MJWLFYSGJZXMTB-NRFANRHFSA-N 1 1 438.587 4.823 40 0 IJABMO c1ccc(COc2cccc(C[N@H+]3CCOC[C@H](Cc4ccc5ccncc5c4)C3)c2)nc1 ZINC000257291404 556716386 /nfs/dbraw/zinc/71/63/86/556716386.db2.gz QGUJEYADLURDPD-XMMPIXPASA-N 1 1 439.559 4.900 40 0 IJABMO Cc1cc(C)c2cc(C[N@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000927326 556753779 /nfs/dbraw/zinc/75/37/79/556753779.db2.gz XELLSMCJBATGRO-UHFFFAOYSA-N 1 1 434.588 4.581 40 0 IJABMO Cc1cc(C)c2cc(C[N@@H+](Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1 ZINC000000927326 556753782 /nfs/dbraw/zinc/75/37/82/556753782.db2.gz XELLSMCJBATGRO-UHFFFAOYSA-N 1 1 434.588 4.581 40 0 IJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000019500908 556772538 /nfs/dbraw/zinc/77/25/38/556772538.db2.gz MRAVUJGLEKUTNH-HLIPFELVSA-N 1 1 449.521 4.626 40 0 IJABMO CC[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)Nc4cc(C)ccc4C)C3)cc2N1 ZINC000019500908 556772542 /nfs/dbraw/zinc/77/25/42/556772542.db2.gz MRAVUJGLEKUTNH-HLIPFELVSA-N 1 1 449.521 4.626 40 0 IJABMO CCCC(=O)N1c2ccc([C@@H](O)C[N@@H+]3CCc4[nH]c5c(cccc5C)c4C3)cc2C[C@@H]1C ZINC000019501704 556773267 /nfs/dbraw/zinc/77/32/67/556773267.db2.gz DNRVCVYCFJDXOR-BVZFJXPGSA-N 1 1 431.580 4.646 40 0 IJABMO CCCC(=O)N1c2ccc([C@@H](O)C[N@H+]3CCc4[nH]c5c(cccc5C)c4C3)cc2C[C@@H]1C ZINC000019501704 556773269 /nfs/dbraw/zinc/77/32/69/556773269.db2.gz DNRVCVYCFJDXOR-BVZFJXPGSA-N 1 1 431.580 4.646 40 0 IJABMO COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CC[N@@H+](Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000019557724 556799703 /nfs/dbraw/zinc/79/97/03/556799703.db2.gz HZZRHAMWPQNTKU-ZONZVBGPSA-N 1 1 444.550 4.965 40 0 IJABMO COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019568947 556809191 /nfs/dbraw/zinc/80/91/91/556809191.db2.gz RCCXDFAGLGPRER-NLFFAJNJSA-N 1 1 433.527 4.613 40 0 IJABMO COc1cccc2cc(C[N@H+]3CCC[C@@H](c4cc(N(C)C)nc(-c5cccnc5)n4)C3)oc21 ZINC000019584426 556821914 /nfs/dbraw/zinc/82/19/14/556821914.db2.gz IYKJSCOHPZVIDU-HXUWFJFHSA-N 1 1 443.551 4.739 40 0 IJABMO COCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000019592992 556829232 /nfs/dbraw/zinc/82/92/32/556829232.db2.gz ARSCLKAEHBOKHS-YIXXDRMTSA-N 1 1 447.554 4.604 40 0 IJABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@@H+](C)C3CCCCC3)cc2c1 ZINC000006300934 556832236 /nfs/dbraw/zinc/83/22/36/556832236.db2.gz OPRDWSKMOYXMNQ-HSZRJFAPSA-N 1 1 434.588 4.600 40 0 IJABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCC3)[N@H+](C)C3CCCCC3)cc2c1 ZINC000006300934 556832239 /nfs/dbraw/zinc/83/22/39/556832239.db2.gz OPRDWSKMOYXMNQ-HSZRJFAPSA-N 1 1 434.588 4.600 40 0 IJABMO Cn1cc(C[N@H+]2CCC[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c2cc(F)ccc21 ZINC000019689287 556844078 /nfs/dbraw/zinc/84/40/78/556844078.db2.gz KXLFUVBSTWAQJE-OAQYLSRUSA-N 1 1 442.538 4.858 40 0 IJABMO CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cc1 ZINC000019689993 556845274 /nfs/dbraw/zinc/84/52/74/556845274.db2.gz JQMBYVBIQACGGF-HSZRJFAPSA-N 1 1 433.531 4.644 40 0 IJABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+]3Cc3cn(C)c4ccccc34)c2)cn1 ZINC000019690925 556846881 /nfs/dbraw/zinc/84/68/81/556846881.db2.gz LUJRBXYPZNCZAE-AREMUKBSSA-N 1 1 439.563 4.640 40 0 IJABMO COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)cn1 ZINC000019691892 556847643 /nfs/dbraw/zinc/84/76/43/556847643.db2.gz IPXZGEWYNVTZLJ-XMMPIXPASA-N 1 1 436.987 4.950 40 0 IJABMO COCCc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)cn1 ZINC000019691892 556847647 /nfs/dbraw/zinc/84/76/47/556847647.db2.gz IPXZGEWYNVTZLJ-XMMPIXPASA-N 1 1 436.987 4.950 40 0 IJABMO Cc1cc(C[N@H+]2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc(C)c1O ZINC000072330432 556905528 /nfs/dbraw/zinc/90/55/28/556905528.db2.gz FSKZJEKNOIJYHI-REWPJTCUSA-N 1 1 435.593 4.849 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)c1 ZINC000072330486 556905785 /nfs/dbraw/zinc/90/57/85/556905785.db2.gz FMJMGKYZQJTKMJ-GJZUVCINSA-N 1 1 429.564 4.782 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCCO1 ZINC000072330574 556906517 /nfs/dbraw/zinc/90/65/17/556906517.db2.gz KMZXNDXAHDIQCF-WTNAPCKOSA-N 1 1 448.394 4.637 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCCO1 ZINC000072330574 556906522 /nfs/dbraw/zinc/90/65/22/556906522.db2.gz KMZXNDXAHDIQCF-WTNAPCKOSA-N 1 1 448.394 4.637 40 0 IJABMO Cc1[nH]c2ccc(F)cc2c1C[N@H+]1CCC[C@@H](c2ncc(C(=O)N3CCCCC3)c(C)n2)C1 ZINC000019763251 556907993 /nfs/dbraw/zinc/90/79/93/556907993.db2.gz MJKVQXXMUROAEK-LJQANCHMSA-N 1 1 449.574 4.720 40 0 IJABMO COc1ccccc1-c1ccc(C[N@@H+]2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 ZINC000019765572 556910325 /nfs/dbraw/zinc/91/03/25/556910325.db2.gz JHPWYDWEEIGAQN-DEOSSOPVSA-N 1 1 444.579 4.890 40 0 IJABMO COc1ccccc1-c1ccc(C[N@H+]2CCCC[C@H]2c2ncc(C(=O)N(C)C)c(C)n2)cc1 ZINC000019765572 556910328 /nfs/dbraw/zinc/91/03/28/556910328.db2.gz JHPWYDWEEIGAQN-DEOSSOPVSA-N 1 1 444.579 4.890 40 0 IJABMO COc1ccccc1-c1ccc(C[N@H+]2CCC[C@H]([C@H](NC(C)=O)c3nccs3)C2)cc1 ZINC000072337765 556910806 /nfs/dbraw/zinc/91/08/06/556910806.db2.gz QLGIEBAFAJBLPT-URXFXBBRSA-N 1 1 435.593 4.908 40 0 IJABMO C=C1[NH+]=C(SCc2cccc(F)c2)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408993244 556912137 /nfs/dbraw/zinc/91/21/37/556912137.db2.gz VXDATMZFMWESTL-NRFANRHFSA-N 1 1 428.529 4.995 40 0 IJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@H+](Cc2c(F)cccc2Cl)C1 ZINC000072344798 556915581 /nfs/dbraw/zinc/91/55/81/556915581.db2.gz KLLICURPMFZDPI-SFHVURJKSA-N 1 1 440.950 4.854 40 0 IJABMO CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c(F)cccc2Cl)C1 ZINC000072344798 556915584 /nfs/dbraw/zinc/91/55/84/556915584.db2.gz KLLICURPMFZDPI-SFHVURJKSA-N 1 1 440.950 4.854 40 0 IJABMO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352376 556923991 /nfs/dbraw/zinc/92/39/91/556923991.db2.gz DVQRZAMNGNIJGS-MRXNPFEDSA-N 1 1 439.556 4.607 40 0 IJABMO CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(F)cc2)C1 ZINC000072352376 556923993 /nfs/dbraw/zinc/92/39/93/556923993.db2.gz DVQRZAMNGNIJGS-MRXNPFEDSA-N 1 1 439.556 4.607 40 0 IJABMO Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)C2)n1 ZINC000072354203 556929367 /nfs/dbraw/zinc/92/93/67/556929367.db2.gz PBEJAFGRJLPQFL-QFIPXVFZSA-N 1 1 434.559 4.846 40 0 IJABMO Cc1cnc(Nc2cc(C)[nH+]c([C@@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)s1 ZINC000072372746 556944108 /nfs/dbraw/zinc/94/41/08/556944108.db2.gz IDFPLCPUEQEECQ-SFHVURJKSA-N 1 1 440.573 4.701 40 0 IJABMO CCOc1ccc(C[N@H+]2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cc1CO ZINC000072376107 556954284 /nfs/dbraw/zinc/95/42/84/556954284.db2.gz XJWYLJJQOIVJBW-NRFANRHFSA-N 1 1 432.568 4.799 40 0 IJABMO Cc1nc([C@H]2CCC[N@H+](C3CCCC3)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 ZINC000072380026 556957307 /nfs/dbraw/zinc/95/73/07/556957307.db2.gz BPEVYGNUUVTJCB-FQEVSTJZSA-N 1 1 436.575 4.568 40 0 IJABMO Cc1nc([C@@H]2CCC[N@H+](C3CCCC3)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 ZINC000072380025 556957326 /nfs/dbraw/zinc/95/73/26/556957326.db2.gz BPEVYGNUUVTJCB-HXUWFJFHSA-N 1 1 436.575 4.568 40 0 IJABMO O=C(c1sc2ccccc2c1C[C@@H]1CCCCC[N@H+]1Cc1ccccn1)N1CCOCC1 ZINC000072380095 556957602 /nfs/dbraw/zinc/95/76/02/556957602.db2.gz HRGLJZOKOFXMNX-NRFANRHFSA-N 1 1 449.620 4.756 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c(OC)c1 ZINC000072390211 556960260 /nfs/dbraw/zinc/96/02/60/556960260.db2.gz VTBOTERQOSZLLX-OAHLLOKOSA-N 1 1 435.446 4.947 40 0 IJABMO COc1cccc(OC)c1/C=C/C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409251894 557036976 /nfs/dbraw/zinc/03/69/76/557036976.db2.gz QWSIBDJMAGONFQ-WUKNDPDISA-N 1 1 442.559 4.651 40 0 IJABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000005218756 557077006 /nfs/dbraw/zinc/07/70/06/557077006.db2.gz IHCWICSXMPBRIK-QDSKXPNFSA-N 1 1 428.960 4.655 40 0 IJABMO COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000005218756 557077011 /nfs/dbraw/zinc/07/70/11/557077011.db2.gz IHCWICSXMPBRIK-QDSKXPNFSA-N 1 1 428.960 4.655 40 0 IJABMO Cc1nc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000585166177 557128904 /nfs/dbraw/zinc/12/89/04/557128904.db2.gz KXDOBQKBOIPUNN-QFIPXVFZSA-N 1 1 446.570 4.836 40 0 IJABMO O=C(C1CC[NH+](Cc2ccc(Cl)cc2Cl)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000219416164 557243827 /nfs/dbraw/zinc/24/38/27/557243827.db2.gz KQSBZPOTHZUNMA-UHFFFAOYSA-N 1 1 446.422 4.550 40 0 IJABMO CN(CCCNC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 ZINC000219419679 557243900 /nfs/dbraw/zinc/24/39/00/557243900.db2.gz GSEBFBADVTYFRQ-UHFFFAOYSA-N 1 1 434.411 4.848 40 0 IJABMO CCOC(=O)c1cccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)c1C ZINC000022913825 557272950 /nfs/dbraw/zinc/27/29/50/557272950.db2.gz MZJYKFCXMOVNLB-UHFFFAOYSA-N 1 1 428.532 4.982 40 0 IJABMO O=C(NCc1nc(-c2ccccc2Cl)no1)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000222596167 557358405 /nfs/dbraw/zinc/35/84/05/557358405.db2.gz QBDGQFKTBUTSBA-INIZCTEOSA-N 1 1 445.350 4.572 40 0 IJABMO COCCNC(=O)c1sc2ccccc2c1[C@H]1CC[N@@H+](Cc2ccc(C)cc2OC)C1 ZINC000072352276 557387134 /nfs/dbraw/zinc/38/71/34/557387134.db2.gz UUJYJTDDRNIUHN-IBGZPJMESA-N 1 1 438.593 4.584 40 0 IJABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cccc5ncccc45)C3)[nH]n2)cc1 ZINC000072371721 557388275 /nfs/dbraw/zinc/38/82/75/557388275.db2.gz KKJRBQRPXWFIFX-HXUWFJFHSA-N 1 1 428.536 4.578 40 0 IJABMO COc1ccc(OCCc2cc([C@@H]3CC[N@H+](Cc4cccc5ncccc45)C3)n[nH]2)cc1 ZINC000072371721 557388276 /nfs/dbraw/zinc/38/82/76/557388276.db2.gz KKJRBQRPXWFIFX-HXUWFJFHSA-N 1 1 428.536 4.578 40 0 IJABMO COc1ccc(OCCc2cc([C@@H]3CC[N@@H+](Cc4cccc5ncccc45)C3)n[nH]2)cc1 ZINC000072371721 557388278 /nfs/dbraw/zinc/38/82/78/557388278.db2.gz KKJRBQRPXWFIFX-HXUWFJFHSA-N 1 1 428.536 4.578 40 0 IJABMO CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225579423 557746384 /nfs/dbraw/zinc/74/63/84/557746384.db2.gz ABSOOMHOVYFCSG-INIZCTEOSA-N 1 1 445.966 4.858 40 0 IJABMO CCOC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3F)CC2)c1C ZINC000225582328 557746753 /nfs/dbraw/zinc/74/67/53/557746753.db2.gz SMNKKPLVGIENMX-UHFFFAOYSA-N 1 1 432.923 4.815 40 0 IJABMO CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225907371 557790549 /nfs/dbraw/zinc/79/05/49/557790549.db2.gz VXBVDHYSWJPTQY-GOSISDBHSA-N 1 1 449.378 4.950 40 0 IJABMO CCOC(=O)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)cc1 ZINC000225907371 557790551 /nfs/dbraw/zinc/79/05/51/557790551.db2.gz VXBVDHYSWJPTQY-GOSISDBHSA-N 1 1 449.378 4.950 40 0 IJABMO Cc1cc(C)nc(Nc2ccc(C(=O)NCCNc3cc[nH+]c4cc(Cl)ccc34)cc2)n1 ZINC000225913274 557791617 /nfs/dbraw/zinc/79/16/17/557791617.db2.gz VLWIMRILTYZVJA-UHFFFAOYSA-N 1 1 446.942 4.881 40 0 IJABMO CNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000257238950 568683528 /nfs/dbraw/zinc/68/35/28/568683528.db2.gz HNFNZWTXTAACNP-GOSISDBHSA-N 1 1 444.560 4.833 40 0 IJABMO Cc1nc([C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257260009 568692967 /nfs/dbraw/zinc/69/29/67/568692967.db2.gz LAZDUVPCSLEOGC-LJQANCHMSA-N 1 1 436.506 4.542 40 0 IJABMO COc1ccccc1CC(=O)N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000257312921 568716920 /nfs/dbraw/zinc/71/69/20/568716920.db2.gz UQESDCXLRAISCI-WXVAWEFUSA-N 1 1 447.554 4.542 40 0 IJABMO Cc1ccsc1C[N@H+]1C[C@H](c2nccs2)[C@]2(CCN(Cc3cccs3)C2=O)C1 ZINC000306139017 568771101 /nfs/dbraw/zinc/77/11/01/568771101.db2.gz SNFONVYIHNNJMH-UTKZUKDTSA-N 1 1 429.636 4.593 40 0 IJABMO CCN(CC)C(=O)c1ccccc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000009063728 569219910 /nfs/dbraw/zinc/21/99/10/569219910.db2.gz AGIWWKPBTBPTLO-UHFFFAOYSA-N 1 1 445.966 4.812 40 0 IJABMO COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2)C1 ZINC000019234966 569226031 /nfs/dbraw/zinc/22/60/31/569226031.db2.gz BSULTUGJESCVLW-ATIYNZHBSA-N 1 1 429.564 4.782 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019235955 569226042 /nfs/dbraw/zinc/22/60/42/569226042.db2.gz KCQUFYKEMYKCRU-AUSIDOKSSA-N 1 1 435.593 4.843 40 0 IJABMO COc1c(C)cccc1C[N@H+]1CCC[C@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019235956 569226165 /nfs/dbraw/zinc/22/61/65/569226165.db2.gz KCQUFYKEMYKCRU-WMZHIEFXSA-N 1 1 435.593 4.843 40 0 IJABMO CC(C)[N@H+]1CCc2c(nc([C@H]3CCCN3C(=O)[C@H](c3ccccc3)C3CCCC3)[nH]c2=O)C1 ZINC000019448379 569226553 /nfs/dbraw/zinc/22/65/53/569226553.db2.gz QLOBMSMQOHMTDO-DNQXCXABSA-N 1 1 448.611 4.586 40 0 IJABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CC[C@@H](c2cc(COc3ccccc3F)[nH]n2)C1 ZINC000019704711 569233650 /nfs/dbraw/zinc/23/36/50/569233650.db2.gz CIBSDLCRSBRJRB-LJQANCHMSA-N 1 1 445.542 4.732 40 0 IJABMO CN(C)c1nc2ccccc2cc1C[N@@H+]1CC[C@@H](c2cc(COc3ccccc3F)n[nH]2)C1 ZINC000019704711 569233652 /nfs/dbraw/zinc/23/36/52/569233652.db2.gz CIBSDLCRSBRJRB-LJQANCHMSA-N 1 1 445.542 4.732 40 0 IJABMO CN(C)c1nc2ccccc2cc1C[N@H+]1CC[C@@H](c2cc(COc3ccccc3F)n[nH]2)C1 ZINC000019704711 569233654 /nfs/dbraw/zinc/23/36/54/569233654.db2.gz CIBSDLCRSBRJRB-LJQANCHMSA-N 1 1 445.542 4.732 40 0 IJABMO Cc1nc2ccccn2c1C[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713404 569235599 /nfs/dbraw/zinc/23/55/99/569235599.db2.gz FZRJCUXABZQREB-ZEQKJWHPSA-N 1 1 434.559 4.718 40 0 IJABMO Cc1nc([C@H]2CC[N@@H+](Cc3ccc4ncccc4c3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019757852 569237209 /nfs/dbraw/zinc/23/72/09/569237209.db2.gz QOFRMZSZEVBUNP-FQEVSTJZSA-N 1 1 441.510 4.714 40 0 IJABMO Cc1nc([C@H]2CC[N@H+](Cc3ccc(OC(C)C)cc3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019758027 569237399 /nfs/dbraw/zinc/23/73/99/569237399.db2.gz DHLNOWXSJPQSLI-FQEVSTJZSA-N 1 1 448.542 4.953 40 0 IJABMO CCn1cc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c2ccc(F)cc21 ZINC000019762973 569237830 /nfs/dbraw/zinc/23/78/30/569237830.db2.gz XKNDSFIABMYRCR-LJQANCHMSA-N 1 1 449.574 4.514 40 0 IJABMO COCCn1cc(C[N@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)c2ccccc21 ZINC000019704361 569327517 /nfs/dbraw/zinc/32/75/17/569327517.db2.gz DUUUCFAUCSHOPE-LJQANCHMSA-N 1 1 448.542 4.718 40 0 IJABMO COCCn1cc(C[N@@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)c2ccccc21 ZINC000019704361 569327519 /nfs/dbraw/zinc/32/75/19/569327519.db2.gz DUUUCFAUCSHOPE-LJQANCHMSA-N 1 1 448.542 4.718 40 0 IJABMO COCCn1cc(C[N@H+]2CC[C@@H](c3cc(COc4ccc(F)cc4)n[nH]3)C2)c2ccccc21 ZINC000019704361 569327522 /nfs/dbraw/zinc/32/75/22/569327522.db2.gz DUUUCFAUCSHOPE-LJQANCHMSA-N 1 1 448.542 4.718 40 0 IJABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2c[nH]nc2-c2ccccc2)cc1 ZINC000019713836 569327836 /nfs/dbraw/zinc/32/78/36/569327836.db2.gz XIKLEFRNWJWHGC-RPBOFIJWSA-N 1 1 444.579 4.631 40 0 IJABMO COc1cccc(C(=S)N2CC[NH+](C)CC2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408578122 555929187 /nfs/dbraw/zinc/92/91/87/555929187.db2.gz VTDJXNOZRVBCPY-UHFFFAOYSA-N 1 1 425.381 4.504 40 0 IJABMO CC[NH+]1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)CC1 ZINC000408578152 555929566 /nfs/dbraw/zinc/92/95/66/555929566.db2.gz WELXVYGAQFMFRG-UHFFFAOYSA-N 1 1 439.408 4.894 40 0 IJABMO O=C(Nc1ccccc1C(=O)N1CCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039755564 556439343 /nfs/dbraw/zinc/43/93/43/556439343.db2.gz MJQBUEZCCPGGIZ-UHFFFAOYSA-N 1 1 443.950 4.566 40 0 IJABMO O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCN(Cc2ccccc2Cl)CC1 ZINC000038831268 556621629 /nfs/dbraw/zinc/62/16/29/556621629.db2.gz VYBPYQNEXHKIBK-UHFFFAOYSA-N 1 1 440.031 4.854 40 0 IJABMO O=C([C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)N1CCN(Cc2ccccc2)CC1 ZINC000038850750 556624792 /nfs/dbraw/zinc/62/47/92/556624792.db2.gz JUNUOHSAKBQWGL-HXUWFJFHSA-N 1 1 446.422 4.550 40 0 IJABMO Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000038857151 556625796 /nfs/dbraw/zinc/62/57/96/556625796.db2.gz AXERMQSZKCNARK-FQEVSTJZSA-N 1 1 446.422 4.863 40 0 IJABMO COC(=O)c1cccc(NC(=O)C2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)c1C ZINC000038858192 556626046 /nfs/dbraw/zinc/62/60/46/556626046.db2.gz HGDFFUTWMUHXFF-UHFFFAOYSA-N 1 1 435.351 4.939 40 0 IJABMO CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](CCCc2ccccc2)CC[C@@]1(C)O ZINC000514290079 556626163 /nfs/dbraw/zinc/62/61/63/556626163.db2.gz YCLODIIJRHVKEP-SONWIMMPSA-N 1 1 428.642 4.800 40 0 biogenic,in-vitro IJABMO O=C(NCCCc1ccc(F)cc1)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000044906523 556680187 /nfs/dbraw/zinc/68/01/87/556680187.db2.gz HUZHJTOHNIDFGX-UHFFFAOYSA-N 1 1 433.365 4.549 40 0 IJABMO O=C(Nc1ccc(N2CCCC2=O)cc1)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1 ZINC000044938353 556683024 /nfs/dbraw/zinc/68/30/24/556683024.db2.gz IEQSJSRPEJPNBS-UHFFFAOYSA-N 1 1 446.378 4.971 40 0 IJABMO CC(=O)OCc1ccc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)o1 ZINC000019023027 556694502 /nfs/dbraw/zinc/69/45/02/556694502.db2.gz VYDZBRVBPSXIDS-OAQYLSRUSA-N 1 1 438.480 4.844 40 0 IJABMO CC(=O)OCc1ccc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)o1 ZINC000019023027 556694504 /nfs/dbraw/zinc/69/45/04/556694504.db2.gz VYDZBRVBPSXIDS-OAQYLSRUSA-N 1 1 438.480 4.844 40 0 IJABMO c1cnc(Oc2cccc(C[N@@H+]3CCOC[C@H](Cc4ccc5ncccc5c4)C3)c2)nc1 ZINC000257339034 556706794 /nfs/dbraw/zinc/70/67/94/556706794.db2.gz YZXRILIUYILXCQ-JOCHJYFZSA-N 1 1 426.520 4.508 40 0 IJABMO O=C(Cc1ccc(F)cc1)N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000257223907 556708253 /nfs/dbraw/zinc/70/82/53/556708253.db2.gz DZKJCPJXMYSFBE-RLWLMLJZSA-N 1 1 435.518 4.672 40 0 IJABMO COc1ccccc1-c1ccccc1C[N@H+]1CCOC[C@H](Cc2cccn3nccc23)C1 ZINC000257235900 556709751 /nfs/dbraw/zinc/70/97/51/556709751.db2.gz HAAAGTQHCXWFBU-OAQYLSRUSA-N 1 1 427.548 4.701 40 0 IJABMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)cc1 ZINC000019236823 556721450 /nfs/dbraw/zinc/72/14/50/556721450.db2.gz WCILFSWZHNERAL-BKMJKUGQSA-N 1 1 429.564 4.782 40 0 IJABMO COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)c1 ZINC000019236828 556721541 /nfs/dbraw/zinc/72/15/41/556721541.db2.gz FMJMGKYZQJTKMJ-ATIYNZHBSA-N 1 1 429.564 4.782 40 0 IJABMO O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC[C@@H]21 ZINC000019334369 556737770 /nfs/dbraw/zinc/73/77/70/556737770.db2.gz VEPYUANVVQURQN-VABKMULXSA-N 1 1 437.996 4.927 40 0 IJABMO CCc1ccc2[nH]c(=O)c(C[N@H+](Cc3nnnn3C(C)(C)CC)C3CCCCC3)cc2c1 ZINC000000925897 556752810 /nfs/dbraw/zinc/75/28/10/556752810.db2.gz JYNDWVYTLOVNOL-UHFFFAOYSA-N 1 1 436.604 4.557 40 0 IJABMO CCc1ccc2[nH]c(=O)c(C[N@@H+](Cc3nnnn3C(C)(C)CC)C3CCCCC3)cc2c1 ZINC000000925897 556752813 /nfs/dbraw/zinc/75/28/13/556752813.db2.gz JYNDWVYTLOVNOL-UHFFFAOYSA-N 1 1 436.604 4.557 40 0 IJABMO CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CC[N@@H+](Cc2cccc(F)c2)C1 ZINC000019449540 556760371 /nfs/dbraw/zinc/76/03/71/556760371.db2.gz VJSOBMQWJDJEFB-MHZLTWQESA-N 1 1 431.555 4.847 40 0 IJABMO CC(C)c1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)nc2)C1 ZINC000019452109 556762937 /nfs/dbraw/zinc/76/29/37/556762937.db2.gz RVCNFROBSCVTCL-OAHLLOKOSA-N 1 1 448.493 4.601 40 0 IJABMO COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2NC(=O)CCn2cc[nH+]c2C(C)C)cc1OC ZINC000019454491 556765037 /nfs/dbraw/zinc/76/50/37/556765037.db2.gz AUVGUNWYPCEHAH-VSQYNUGQSA-N 1 1 425.573 4.502 40 0 IJABMO CCOc1cc(C[N@H+]2CC[C@@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)ccc1OC ZINC000019522417 556779622 /nfs/dbraw/zinc/77/96/22/556779622.db2.gz QZKBBFPVPLEEMK-MRXNPFEDSA-N 1 1 448.489 4.707 40 0 IJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 ZINC000001374107 556792990 /nfs/dbraw/zinc/79/29/90/556792990.db2.gz LQTVBMKBCRJYBJ-JOCHJYFZSA-N 1 1 436.604 4.864 40 0 IJABMO COc1ccc(CNC(=O)c2cc([C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)no2)cc1 ZINC000019555842 556798961 /nfs/dbraw/zinc/79/89/61/556798961.db2.gz YVTDLRGLGRCYQL-IBGZPJMESA-N 1 1 439.943 4.646 40 0 IJABMO COc1ccc(CNC(=O)c2cc([C@@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)no2)cc1 ZINC000019555814 556799105 /nfs/dbraw/zinc/79/91/05/556799105.db2.gz DCTQVOFQLSFAGA-LJQANCHMSA-N 1 1 439.943 4.646 40 0 IJABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1)C1CCC1 ZINC000072330591 556906748 /nfs/dbraw/zinc/90/67/48/556906748.db2.gz STTHLGGGRBVDEF-KNQAVFIVSA-N 1 1 431.502 4.970 40 0 IJABMO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)c1 ZINC000019764969 556909638 /nfs/dbraw/zinc/90/96/38/556909638.db2.gz GPGUKNSUVUNMQS-DEOSSOPVSA-N 1 1 432.543 4.890 40 0 IJABMO Cc1cccc(C[N@H+]2CCCC[C@H]2c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)c1 ZINC000019764969 556909643 /nfs/dbraw/zinc/90/96/43/556909643.db2.gz GPGUKNSUVUNMQS-DEOSSOPVSA-N 1 1 432.543 4.890 40 0 IJABMO COc1cccc(-c2cccc(C[N@@H+]3CCCC[C@@H]3c3ncc(C(=O)N(C)C)c(C)n3)c2)c1 ZINC000019765573 556910346 /nfs/dbraw/zinc/91/03/46/556910346.db2.gz MEXCTLFVTPLPGA-RUZDIDTESA-N 1 1 444.579 4.890 40 0 IJABMO COc1cccc(-c2cccc(C[N@H+]3CCCC[C@@H]3c3ncc(C(=O)N(C)C)c(C)n3)c2)c1 ZINC000019765573 556910349 /nfs/dbraw/zinc/91/03/49/556910349.db2.gz MEXCTLFVTPLPGA-RUZDIDTESA-N 1 1 444.579 4.890 40 0 IJABMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cc1 ZINC000072346168 556917430 /nfs/dbraw/zinc/91/74/30/556917430.db2.gz XKBLIBUTYZDCJE-IBGZPJMESA-N 1 1 435.959 4.717 40 0 IJABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000072350219 556920500 /nfs/dbraw/zinc/92/05/00/556920500.db2.gz BXRKVQXRNSEWKL-HXUWFJFHSA-N 1 1 445.529 4.882 40 0 IJABMO COCCNC(=O)c1sc2ccccc2c1[C@@H]1CC[N@@H+](Cc2cn(C)c3ccccc23)C1 ZINC000072352291 556923615 /nfs/dbraw/zinc/92/36/15/556923615.db2.gz ZKQUTGFSZZOYFC-GOSISDBHSA-N 1 1 447.604 4.759 40 0 IJABMO CC(=O)N1CCC([N@H+]2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072358198 556931793 /nfs/dbraw/zinc/93/17/93/556931793.db2.gz UZQONRZTLUXDFI-HSZRJFAPSA-N 1 1 431.502 4.839 40 0 IJABMO Cc1cnc(Nc2cc(C)[nH+]c([C@H]3CCCN3C(=O)CCc3nnc(C(C)C)o3)c2)s1 ZINC000072372747 556944297 /nfs/dbraw/zinc/94/42/97/556944297.db2.gz IDFPLCPUEQEECQ-GOSISDBHSA-N 1 1 440.573 4.701 40 0 IJABMO CCOC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000072393971 556965435 /nfs/dbraw/zinc/96/54/35/556965435.db2.gz RSQJSZJSXLWIAP-UHFFFAOYSA-N 1 1 434.536 4.744 40 0 IJABMO O=C(Cc1cc(F)cc(F)c1)N1CCC[C@]2(CCC[N@@H+]2Cc2cc(F)ccc2F)CC1 ZINC000585100410 557034020 /nfs/dbraw/zinc/03/40/20/557034020.db2.gz RGVFQYUHCKFYKK-DEOSSOPVSA-N 1 1 434.477 4.833 40 0 IJABMO CC(C)[N@H+]1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 ZINC000585107113 557037773 /nfs/dbraw/zinc/03/77/73/557037773.db2.gz PPFUQULMNQBXOE-SANMLTNESA-N 1 1 432.543 4.545 40 0 IJABMO COc1cccc(-c2cccc3c([C@@H]4CN(C(=O)Nc5cccc(C)c5)CCO4)[nH+]cn32)c1 ZINC000096155876 557180466 /nfs/dbraw/zinc/18/04/66/557180466.db2.gz UCESZGIFLFWFNX-DEOSSOPVSA-N 1 1 442.519 4.924 40 0 IJABMO O=C1CCC[C@]2(C[N@H+](Cc3ccccc3N3CCCCC3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000585261700 557196364 /nfs/dbraw/zinc/19/63/64/557196364.db2.gz SJNYFFKWFRQQQH-HFZDXXHNSA-N 1 1 439.550 4.593 40 0 IJABMO FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3Cl)C2)nc2ncnn21 ZINC000057763009 557262019 /nfs/dbraw/zinc/26/20/19/557262019.db2.gz JUINIKIZNZQYDJ-GFCCVEGCSA-N 1 1 430.261 4.830 40 0 IJABMO FC(F)(F)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3Cl)C2)nc2ncnn21 ZINC000057763009 557262024 /nfs/dbraw/zinc/26/20/24/557262024.db2.gz JUINIKIZNZQYDJ-GFCCVEGCSA-N 1 1 430.261 4.830 40 0 IJABMO COc1ccccc1C[N@H+]1CCC[C@](Cc2cc(-c3ccc(C)cc3)no2)(C(=O)N(C)C)C1 ZINC000057775186 557265081 /nfs/dbraw/zinc/26/50/81/557265081.db2.gz XYPSIBIADZQHQS-HHHXNRCGSA-N 1 1 447.579 4.572 40 0 IJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 ZINC000013494590 557325601 /nfs/dbraw/zinc/32/56/01/557325601.db2.gz JMXIMEQSFRMPPE-JOCHJYFZSA-N 1 1 436.604 4.864 40 0 IJABMO CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000072216488 557342854 /nfs/dbraw/zinc/34/28/54/557342854.db2.gz UFYVVWLUODGGAV-QHCPKHFHSA-N 1 1 436.600 4.866 40 0 IJABMO Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)n2)c1 ZINC000222596745 557358449 /nfs/dbraw/zinc/35/84/49/557358449.db2.gz BWFGYIJSJYMQRA-HXUWFJFHSA-N 1 1 438.959 4.569 40 0 IJABMO C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)OCCO2 ZINC000222716797 557378491 /nfs/dbraw/zinc/37/84/91/557378491.db2.gz YJUCVCSDKHSIKM-OAHLLOKOSA-N 1 1 449.378 4.854 40 0 IJABMO C[C@@H](NC(=O)C1CC[NH+](Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)OCCO2 ZINC000222716650 557378521 /nfs/dbraw/zinc/37/85/21/557378521.db2.gz CHOUXTYASMEOEA-OAHLLOKOSA-N 1 1 449.378 4.854 40 0 IJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)CC1 ZINC000020241858 557519433 /nfs/dbraw/zinc/51/94/33/557519433.db2.gz RBUNUBIRXABBPY-UHFFFAOYSA-N 1 1 435.955 4.923 40 0 IJABMO O=C(NCCOc1ccc(F)cc1)C1CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000224541833 557618752 /nfs/dbraw/zinc/61/87/52/557618752.db2.gz TWZDOIZFQNJUSE-UHFFFAOYSA-N 1 1 425.331 4.540 40 0 IJABMO CCn1c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2sc1=O ZINC000225076576 557685488 /nfs/dbraw/zinc/68/54/88/557685488.db2.gz PSMFZIAROJNCEK-UHFFFAOYSA-N 1 1 443.572 4.894 40 0 IJABMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4ccc(Cl)cc4F)CC3)CC2)c1C ZINC000225584859 557747412 /nfs/dbraw/zinc/74/74/12/557747412.db2.gz VCXKGKMETRIQAQ-UHFFFAOYSA-N 1 1 443.994 4.657 40 0 IJABMO CCSc1nnc(NC(=O)C2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)s1 ZINC000225620794 557753068 /nfs/dbraw/zinc/75/30/68/557753068.db2.gz RUGHYINXCDKRME-UHFFFAOYSA-N 1 1 431.414 4.808 40 0 IJABMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccnc1Cl ZINC000059557276 557827699 /nfs/dbraw/zinc/82/76/99/557827699.db2.gz JTAVXOFREPHOMK-UHFFFAOYSA-N 1 1 441.362 4.963 40 0 IJABMO c1ccc2ncc(C[C@H]3COCC[N@H+](Cc4ccccc4OCc4cccnc4)C3)cc2c1 ZINC000257247780 568687259 /nfs/dbraw/zinc/68/72/59/568687259.db2.gz JALVGRXCLHCDBB-XMMPIXPASA-N 1 1 439.559 4.900 40 0 IJABMO Cc1nc2cc([C@H]3CCC[N@H+]3CC3CCCCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257281614 568702652 /nfs/dbraw/zinc/70/26/52/568702652.db2.gz OQDCCLDXGAWFJK-HSZRJFAPSA-N 1 1 425.621 4.521 40 0 IJABMO CN(C(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1)C1CCCCC1 ZINC000257295615 568709349 /nfs/dbraw/zinc/70/93/49/568709349.db2.gz QZEBGQFXRGOIOZ-HXUWFJFHSA-N 1 1 431.584 4.742 40 0 IJABMO c1ccc(O[C@H]2CO[C@]3(C2)CCC[N@H+](Cc2ccccc2OCc2ccccn2)C3)cc1 ZINC000257323997 568721881 /nfs/dbraw/zinc/72/18/81/568721881.db2.gz WMTBQRSMPAMSSX-VPUSJEBWSA-N 1 1 430.548 4.863 40 0 IJABMO O=C(c1cnc2cc(Cl)ccc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198795 568921650 /nfs/dbraw/zinc/92/16/50/568921650.db2.gz IKNIRVYOYACPMV-VQDLLJBESA-N 1 1 437.971 4.629 40 0 IJABMO CC(C)c1ccc(C[N@H+]2CC[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)cc1 ZINC000019702159 569231743 /nfs/dbraw/zinc/23/17/43/569231743.db2.gz DSRYVAIHGJFQFK-NRFANRHFSA-N 1 1 449.620 4.882 40 0 IJABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702142 569231850 /nfs/dbraw/zinc/23/18/50/569231850.db2.gz XIAAXDPECHWDHX-WEIUTZTHSA-N 1 1 447.604 4.662 40 0 IJABMO Cc1ncc(C(=O)NCc2ccccc2)c([C@@H]2CCC[N@H+]2Cc2cccc3cccnc32)n1 ZINC000019766677 569329237 /nfs/dbraw/zinc/32/92/37/569329237.db2.gz GHQUNXZARSNVRC-DEOSSOPVSA-N 1 1 437.547 4.600 40 0 IJABMO