smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070309757 837645664 /nfs/dbraw/zinc/64/56/64/837645664.db2.gz ATRNCEIJWMCQKL-KFWWJZLASA-N 2 1 352.870 0.714 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070309757 837645666 /nfs/dbraw/zinc/64/56/66/837645666.db2.gz ATRNCEIJWMCQKL-KFWWJZLASA-N 2 1 352.870 0.714 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070309758 837645859 /nfs/dbraw/zinc/64/58/59/837645859.db2.gz ATRNCEIJWMCQKL-ZNMIVQPWSA-N 2 1 352.870 0.714 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070309758 837645864 /nfs/dbraw/zinc/64/58/64/837645864.db2.gz ATRNCEIJWMCQKL-ZNMIVQPWSA-N 2 1 352.870 0.714 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101417561 844179063 /nfs/dbraw/zinc/17/90/63/844179063.db2.gz URQKXOXZRQCDHX-MDZRGWNJSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101417561 844179067 /nfs/dbraw/zinc/17/90/67/844179067.db2.gz URQKXOXZRQCDHX-MDZRGWNJSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101417561 844179070 /nfs/dbraw/zinc/17/90/70/844179070.db2.gz URQKXOXZRQCDHX-MDZRGWNJSA-N 2 1 350.507 0.799 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102101223 844415588 /nfs/dbraw/zinc/41/55/88/844415588.db2.gz SJNIYSQKKCJOFE-OWCLPIDISA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102101223 844415592 /nfs/dbraw/zinc/41/55/92/844415592.db2.gz SJNIYSQKKCJOFE-OWCLPIDISA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102101223 844415597 /nfs/dbraw/zinc/41/55/97/844415597.db2.gz SJNIYSQKKCJOFE-OWCLPIDISA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380165 844745890 /nfs/dbraw/zinc/74/58/90/844745890.db2.gz HNBHMPZFWQYWCV-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C=C(C)CN1C[C@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630462 861507695 /nfs/dbraw/zinc/50/76/95/861507695.db2.gz XYOUNSQYNSVLMI-LJQANCHMSA-N 2 1 350.507 0.503 20 30 FCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794627 844944862 /nfs/dbraw/zinc/94/48/62/844944862.db2.gz DWUVVFSNWUGJTJ-QZTJIDSGSA-N 2 1 351.491 0.433 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112158900 846425633 /nfs/dbraw/zinc/42/56/33/846425633.db2.gz CZNPJUWNHTUDKI-YNEHKIRRSA-N 2 1 364.412 0.608 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460345 848846566 /nfs/dbraw/zinc/84/65/66/848846566.db2.gz JZDOEVCXOIHOHD-CVEARBPZSA-N 2 1 350.467 0.162 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460345 848846572 /nfs/dbraw/zinc/84/65/72/848846572.db2.gz JZDOEVCXOIHOHD-CVEARBPZSA-N 2 1 350.467 0.162 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460345 848846578 /nfs/dbraw/zinc/84/65/78/848846578.db2.gz JZDOEVCXOIHOHD-CVEARBPZSA-N 2 1 350.467 0.162 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460345 848846587 /nfs/dbraw/zinc/84/65/87/848846587.db2.gz JZDOEVCXOIHOHD-CVEARBPZSA-N 2 1 350.467 0.162 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129897633 848910951 /nfs/dbraw/zinc/91/09/51/848910951.db2.gz DSRRNCKWPJVVSG-RTDMQHNUSA-N 2 1 362.865 0.470 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C\Cl)[C@@H](n2ccnn2)C1 ZINC001129897633 848910954 /nfs/dbraw/zinc/91/09/54/848910954.db2.gz DSRRNCKWPJVVSG-RTDMQHNUSA-N 2 1 362.865 0.470 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC001130238172 848985178 /nfs/dbraw/zinc/98/51/78/848985178.db2.gz WZANCMRXLNTMJI-IHRRRGAJSA-N 2 1 350.467 0.409 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001130251345 848988685 /nfs/dbraw/zinc/98/86/85/848988685.db2.gz OVNATKOXXDUROB-KBPBESRZSA-N 2 1 350.467 0.409 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001130251345 848988691 /nfs/dbraw/zinc/98/86/91/848988691.db2.gz OVNATKOXXDUROB-KBPBESRZSA-N 2 1 350.467 0.409 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001130251345 848988696 /nfs/dbraw/zinc/98/86/96/848988696.db2.gz OVNATKOXXDUROB-KBPBESRZSA-N 2 1 350.467 0.409 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC[NH+](C)C)n[nH]2)O1 ZINC001130805018 849046110 /nfs/dbraw/zinc/04/61/10/849046110.db2.gz SYZKYFVKIWMWPJ-UONOGXRCSA-N 2 1 350.467 0.758 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189136400 851757281 /nfs/dbraw/zinc/75/72/81/851757281.db2.gz XCJAPYUAUZDFNK-JKSUJKDBSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189136400 851757287 /nfs/dbraw/zinc/75/72/87/851757287.db2.gz XCJAPYUAUZDFNK-JKSUJKDBSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189136400 851757291 /nfs/dbraw/zinc/75/72/91/851757291.db2.gz XCJAPYUAUZDFNK-JKSUJKDBSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189136400 851757296 /nfs/dbraw/zinc/75/72/96/851757296.db2.gz XCJAPYUAUZDFNK-JKSUJKDBSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189913758 851842073 /nfs/dbraw/zinc/84/20/73/851842073.db2.gz ZSCZWXWKWBDPKR-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913758 851842081 /nfs/dbraw/zinc/84/20/81/851842081.db2.gz ZSCZWXWKWBDPKR-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913758 851842092 /nfs/dbraw/zinc/84/20/92/851842092.db2.gz ZSCZWXWKWBDPKR-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359450 856082610 /nfs/dbraw/zinc/08/26/10/856082610.db2.gz NCVFYGLFFVIDNG-VKJFTORMSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359450 856082619 /nfs/dbraw/zinc/08/26/19/856082619.db2.gz NCVFYGLFFVIDNG-VKJFTORMSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359450 856082630 /nfs/dbraw/zinc/08/26/30/856082630.db2.gz NCVFYGLFFVIDNG-VKJFTORMSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359450 856082636 /nfs/dbraw/zinc/08/26/36/856082636.db2.gz NCVFYGLFFVIDNG-VKJFTORMSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC001220728362 856265264 /nfs/dbraw/zinc/26/52/64/856265264.db2.gz IMZHMEPDCTXNKZ-MSOLQXFVSA-N 2 1 351.491 0.472 20 30 FCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCNC(=O)C(F)(F)F ZINC001220868444 856347962 /nfs/dbraw/zinc/34/79/62/856347962.db2.gz JXDNOVQJQVDIIU-STQMWFEESA-N 2 1 364.412 0.929 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C1 ZINC001221654646 856640663 /nfs/dbraw/zinc/64/06/63/856640663.db2.gz QQKMFEBPESNTNB-BZUAXINKSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C1 ZINC001221654646 856640669 /nfs/dbraw/zinc/64/06/69/856640669.db2.gz QQKMFEBPESNTNB-BZUAXINKSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221654646 856640679 /nfs/dbraw/zinc/64/06/79/856640679.db2.gz QQKMFEBPESNTNB-BZUAXINKSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221654646 856640684 /nfs/dbraw/zinc/64/06/84/856640684.db2.gz QQKMFEBPESNTNB-BZUAXINKSA-N 2 1 350.507 0.940 20 30 FCEDMP N#CCCC[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000424158650 247174780 /nfs/dbraw/zinc/17/47/80/247174780.db2.gz RNMJFAVKRZEKQX-QGZVFWFLSA-N 2 1 357.458 0.468 20 30 FCEDMP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000328818975 488940835 /nfs/dbraw/zinc/94/08/35/488940835.db2.gz PHABEPRGSNVXKA-MRXNPFEDSA-N 2 1 351.495 0.481 20 30 FCEDMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000328818975 488940836 /nfs/dbraw/zinc/94/08/36/488940836.db2.gz PHABEPRGSNVXKA-MRXNPFEDSA-N 2 1 351.495 0.481 20 30 FCEDMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000114501972 488540770 /nfs/dbraw/zinc/54/07/70/488540770.db2.gz MTLWRLMHLAFWPZ-KRWDZBQOSA-N 2 1 373.501 0.865 20 30 FCEDMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000329285457 488989323 /nfs/dbraw/zinc/98/93/23/488989323.db2.gz OIKAKMJXIYZFOG-RCCFBDPRSA-N 2 1 368.522 0.979 20 30 FCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000329306738 488992397 /nfs/dbraw/zinc/99/23/97/488992397.db2.gz YVYCZJOPXXUUQO-KZNAEPCWSA-N 2 1 367.538 0.504 20 30 FCEDMP C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C1=CC[N@@H+](C)CC1 ZINC000329712903 489029566 /nfs/dbraw/zinc/02/95/66/489029566.db2.gz QSJQLLSRMTWDNP-DOTOQJQBSA-N 2 1 363.506 0.789 20 30 FCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000329816394 489038832 /nfs/dbraw/zinc/03/88/32/489038832.db2.gz VWSLRNSXEXEZDB-CJNGLKHVSA-N 2 1 351.495 0.525 20 30 FCEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000329816394 489038834 /nfs/dbraw/zinc/03/88/34/489038834.db2.gz VWSLRNSXEXEZDB-CJNGLKHVSA-N 2 1 351.495 0.525 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)CN(C)C)cc1 ZINC000293232453 489181966 /nfs/dbraw/zinc/18/19/66/489181966.db2.gz CKSNQPLEPOLZSA-UHFFFAOYSA-N 2 1 373.457 0.197 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000293232453 489181968 /nfs/dbraw/zinc/18/19/68/489181968.db2.gz CKSNQPLEPOLZSA-UHFFFAOYSA-N 2 1 373.457 0.197 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371344570 489478657 /nfs/dbraw/zinc/47/86/57/489478657.db2.gz LVYNLUINHJWDLB-INIZCTEOSA-N 2 1 365.522 0.877 20 30 FCEDMP CN(CCC#N)S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420468029 489982035 /nfs/dbraw/zinc/98/20/35/489982035.db2.gz FANFGDQWLRXVRY-UHFFFAOYSA-N 2 1 365.503 0.660 20 30 FCEDMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C[C@H]1[NH3+] ZINC000423042522 490529192 /nfs/dbraw/zinc/52/91/92/490529192.db2.gz ZPZQWZHHDSPDGR-CRAIPNDOSA-N 2 1 369.469 0.398 20 30 FCEDMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C[C@H]1[NH3+] ZINC000423042522 490529199 /nfs/dbraw/zinc/52/91/99/490529199.db2.gz ZPZQWZHHDSPDGR-CRAIPNDOSA-N 2 1 369.469 0.398 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000529375298 490857634 /nfs/dbraw/zinc/85/76/34/490857634.db2.gz PQJNOJQXMKWFAX-SFHVURJKSA-N 2 1 357.458 0.764 20 30 FCEDMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000580301208 491724807 /nfs/dbraw/zinc/72/48/07/491724807.db2.gz NXQUDUZTHGNRHT-LJQANCHMSA-N 2 1 370.501 0.679 20 30 FCEDMP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000602335263 491979988 /nfs/dbraw/zinc/97/99/88/491979988.db2.gz VVWQOIYRZAYZPM-IBGZPJMESA-N 2 1 371.485 0.888 20 30 FCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261950187 526356256 /nfs/dbraw/zinc/35/62/56/526356256.db2.gz HDMCUTITTTUIHS-KRWDZBQOSA-N 2 1 360.506 0.748 20 30 FCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261945137 526371462 /nfs/dbraw/zinc/37/14/62/526371462.db2.gz FRHPUOGIHBVFGU-IRXDYDNUSA-N 2 1 364.538 0.142 20 30 FCEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261764849 526378447 /nfs/dbraw/zinc/37/84/47/526378447.db2.gz ORCQOZBYRALBQA-QAPCUYQASA-N 2 1 350.463 0.717 20 30 FCEDMP CNC(=O)CC1CCN(C(NC[C@]2([NH+](C)C)CCSC2)=[NH+]C)CC1 ZINC000261795066 526378595 /nfs/dbraw/zinc/37/85/95/526378595.db2.gz QVGPMYCRANWKEO-QGZVFWFLSA-N 2 1 355.552 0.847 20 30 FCEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262791838 526378616 /nfs/dbraw/zinc/37/86/16/526378616.db2.gz OGNXSHKODMYZPN-QAPCUYQASA-N 2 1 350.463 0.717 20 30 FCEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)N(C)C[C@H]1CCOC1 ZINC000131096418 526385530 /nfs/dbraw/zinc/38/55/30/526385530.db2.gz KBNZNQODZKDSCW-MRXNPFEDSA-N 2 1 360.506 0.877 20 30 FCEDMP C[NH+]=C(N[C@@H]1C[C@@](C)(OC)C1(C)C)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000262431233 526415550 /nfs/dbraw/zinc/41/55/50/526415550.db2.gz SNUQDRLDXBHIGR-DNVCBOLYSA-N 2 1 367.538 0.908 20 30 FCEDMP CC(=O)N1CC[NH+](CCOc2ccc(CCNC3=[NH+]C[C@H](C)N3)cc2)CC1 ZINC000262200995 526627896 /nfs/dbraw/zinc/62/78/96/526627896.db2.gz AVNFOZODAWRAGF-INIZCTEOSA-N 2 1 373.501 0.709 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000264134199 529074465 /nfs/dbraw/zinc/07/44/65/529074465.db2.gz ZCORDPHFMWRVLR-MOPGFXCFSA-N 3 1 359.518 0.794 20 30 FCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264134199 529074470 /nfs/dbraw/zinc/07/44/70/529074470.db2.gz ZCORDPHFMWRVLR-MOPGFXCFSA-N 3 1 359.518 0.794 20 30 FCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264134199 529074473 /nfs/dbraw/zinc/07/44/73/529074473.db2.gz ZCORDPHFMWRVLR-MOPGFXCFSA-N 3 1 359.518 0.794 20 30 FCEDMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000330242623 546591164 /nfs/dbraw/zinc/59/11/64/546591164.db2.gz GEVQDVSQGYGYAI-DOTOQJQBSA-N 2 1 353.511 0.331 20 30 FCEDMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000330242623 546591168 /nfs/dbraw/zinc/59/11/68/546591168.db2.gz GEVQDVSQGYGYAI-DOTOQJQBSA-N 2 1 353.511 0.331 20 30 FCEDMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330242623 546591174 /nfs/dbraw/zinc/59/11/74/546591174.db2.gz GEVQDVSQGYGYAI-DOTOQJQBSA-N 2 1 353.511 0.331 20 30 FCEDMP C#CC[N@H+](C)CCCNS(=O)(=O)c1c(C)nn(CC[NH+](C)C)c1C ZINC000815082365 669898909 /nfs/dbraw/zinc/89/89/09/669898909.db2.gz NANFVBIGJPTWHQ-UHFFFAOYSA-N 2 1 355.508 0.295 20 30 FCEDMP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052042931 676113325 /nfs/dbraw/zinc/11/33/25/676113325.db2.gz KKANCHLZDBDDEX-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP C=CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052042931 676113328 /nfs/dbraw/zinc/11/33/28/676113328.db2.gz KKANCHLZDBDDEX-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104264750 1168847359 /nfs/dbraw/zinc/84/73/59/1168847359.db2.gz CSNUBKFQHLINQK-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001105474735 1192776460 /nfs/dbraw/zinc/77/64/60/1192776460.db2.gz QSNQYGDNKKJAIE-BOHSKOPMSA-N 2 1 363.502 0.859 20 30 FCEDMP C#CCC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001105474735 1192776462 /nfs/dbraw/zinc/77/64/62/1192776462.db2.gz QSNQYGDNKKJAIE-BOHSKOPMSA-N 2 1 363.502 0.859 20 30 FCEDMP CN(CC(=O)N1CCCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)C1)C(N)=[NH2+] ZINC001269992683 1187962400 /nfs/dbraw/zinc/96/24/00/1187962400.db2.gz UNWNSYFDQRIOGM-UHFFFAOYSA-N 2 1 357.462 0.146 20 30 FCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2CCO[C@@H]3CN(CC#CCOC)C[C@@H]32)C1 ZINC001218509667 1224164973 /nfs/dbraw/zinc/16/49/73/1224164973.db2.gz GEVALSFOCTYDIE-CEXWTWQISA-N 2 1 363.502 0.670 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000553735010 1194018618 /nfs/dbraw/zinc/01/86/18/1194018618.db2.gz PSZBKJSGBITJBE-UHFFFAOYSA-N 2 1 366.506 0.058 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055148 1224325061 /nfs/dbraw/zinc/32/50/61/1224325061.db2.gz YTSQZYVIRZKYPS-YESZJQIVSA-N 2 1 364.490 0.025 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055148 1224325070 /nfs/dbraw/zinc/32/50/70/1224325070.db2.gz YTSQZYVIRZKYPS-YESZJQIVSA-N 2 1 364.490 0.025 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055148 1224325075 /nfs/dbraw/zinc/32/50/75/1224325075.db2.gz YTSQZYVIRZKYPS-YESZJQIVSA-N 2 1 364.490 0.025 20 30 FCEDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000592432211 1196623250 /nfs/dbraw/zinc/62/32/50/1196623250.db2.gz MUVHCSCXLYFNOK-SJORKVTESA-N 2 1 370.453 0.942 20 30 FCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2C)C1=O ZINC001085424217 1197889266 /nfs/dbraw/zinc/88/92/66/1197889266.db2.gz CXWQSDQWJZFBFH-ZACQAIPSSA-N 2 1 359.474 0.995 20 30 FCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321690 1197988787 /nfs/dbraw/zinc/98/87/87/1197988787.db2.gz NQQHTWVIRSILQZ-SJORKVTESA-N 2 1 362.478 0.308 20 30 FCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321690 1197988807 /nfs/dbraw/zinc/98/88/07/1197988807.db2.gz NQQHTWVIRSILQZ-SJORKVTESA-N 2 1 362.478 0.308 20 30 FCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129347347 1199095090 /nfs/dbraw/zinc/09/50/90/1199095090.db2.gz CBJPVNWOUJHPKK-SJORKVTESA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129347347 1199095100 /nfs/dbraw/zinc/09/51/00/1199095100.db2.gz CBJPVNWOUJHPKK-SJORKVTESA-N 2 1 362.478 0.307 20 30 FCEDMP C#C[C@](C)([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726447 1224579226 /nfs/dbraw/zinc/57/92/26/1224579226.db2.gz JNCBORJIPKLZBB-ICSRJNTNSA-N 3 1 354.498 0.955 20 30 FCEDMP C#C[C@](C)(N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726447 1224579236 /nfs/dbraw/zinc/57/92/36/1224579236.db2.gz JNCBORJIPKLZBB-ICSRJNTNSA-N 2 1 354.498 0.955 20 30 FCEDMP C#C[C@](C)(N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726447 1224579241 /nfs/dbraw/zinc/57/92/41/1224579241.db2.gz JNCBORJIPKLZBB-ICSRJNTNSA-N 2 1 354.498 0.955 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735290 1200494690 /nfs/dbraw/zinc/49/46/90/1200494690.db2.gz AFMOIYBFEXFINL-YRXWBPOGSA-N 2 1 363.502 0.859 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109735290 1200494697 /nfs/dbraw/zinc/49/46/97/1200494697.db2.gz AFMOIYBFEXFINL-YRXWBPOGSA-N 2 1 363.502 0.859 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822580 1200545369 /nfs/dbraw/zinc/54/53/69/1200545369.db2.gz WKANOQRYZCHSDA-SQNIBIBYSA-N 2 1 361.490 0.982 20 30 FCEDMP C#CCNC(=O)C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000771755909 1200630914 /nfs/dbraw/zinc/63/09/14/1200630914.db2.gz KGSWSLAKFMPHEK-IBGZPJMESA-N 2 1 370.497 0.867 20 30 FCEDMP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCOCC1)C2 ZINC001112546014 1200768296 /nfs/dbraw/zinc/76/82/96/1200768296.db2.gz OVAVMBOTAGHOSV-ICSRJNTNSA-N 2 1 363.502 0.577 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129438035 1201317030 /nfs/dbraw/zinc/31/70/30/1201317030.db2.gz MBRDWPWAMCXMAA-MSOLQXFVSA-N 2 1 358.490 0.909 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441289 1201318260 /nfs/dbraw/zinc/31/82/60/1201318260.db2.gz PSKCQUZNYCZEDH-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441289 1201318266 /nfs/dbraw/zinc/31/82/66/1201318266.db2.gz PSKCQUZNYCZEDH-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441289 1201318273 /nfs/dbraw/zinc/31/82/73/1201318273.db2.gz PSKCQUZNYCZEDH-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441289 1201318277 /nfs/dbraw/zinc/31/82/77/1201318277.db2.gz PSKCQUZNYCZEDH-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(=C)C)[C@@H](n2ccnn2)C1 ZINC001129898188 1201432351 /nfs/dbraw/zinc/43/23/51/1201432351.db2.gz PNYXINISGDSJPL-SQNIBIBYSA-N 2 1 356.474 0.683 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(=C)C)[C@@H](n2ccnn2)C1 ZINC001129898188 1201432357 /nfs/dbraw/zinc/43/23/57/1201432357.db2.gz PNYXINISGDSJPL-SQNIBIBYSA-N 2 1 356.474 0.683 20 30 FCEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033798 1224733552 /nfs/dbraw/zinc/73/35/52/1224733552.db2.gz JACBGUDHWFIEGM-QGRXYFRJSA-N 2 1 365.518 0.981 20 30 FCEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033798 1224733555 /nfs/dbraw/zinc/73/35/55/1224733555.db2.gz JACBGUDHWFIEGM-QGRXYFRJSA-N 2 1 365.518 0.981 20 30 FCEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033798 1224733558 /nfs/dbraw/zinc/73/35/58/1224733558.db2.gz JACBGUDHWFIEGM-QGRXYFRJSA-N 2 1 365.518 0.981 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945880 1202827554 /nfs/dbraw/zinc/82/75/54/1202827554.db2.gz FIZIUKHWPIZWIL-NUJGCVRESA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945880 1202827555 /nfs/dbraw/zinc/82/75/55/1202827555.db2.gz FIZIUKHWPIZWIL-NUJGCVRESA-N 2 1 361.490 0.601 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090885451 1203331774 /nfs/dbraw/zinc/33/17/74/1203331774.db2.gz QEUUGCVOLIVTOK-XUVXKRRUSA-N 2 1 371.481 0.933 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090885451 1203331776 /nfs/dbraw/zinc/33/17/76/1203331776.db2.gz QEUUGCVOLIVTOK-XUVXKRRUSA-N 2 1 371.481 0.933 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cncn3C)C[C@@]2(C)C1 ZINC001091748300 1204841790 /nfs/dbraw/zinc/84/17/90/1204841790.db2.gz JVZCYDXGBXRALC-KPFFTGBYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cncn3C)C[C@@]2(C)C1 ZINC001091748300 1204841793 /nfs/dbraw/zinc/84/17/93/1204841793.db2.gz JVZCYDXGBXRALC-KPFFTGBYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cncn3C)C[C@@]2(C)C1 ZINC001091748300 1204841794 /nfs/dbraw/zinc/84/17/94/1204841794.db2.gz JVZCYDXGBXRALC-KPFFTGBYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cncn3C)C[C@@]2(C)C1 ZINC001091748300 1204841795 /nfs/dbraw/zinc/84/17/95/1204841795.db2.gz JVZCYDXGBXRALC-KPFFTGBYSA-N 2 1 355.486 0.798 20 30 FCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092374826 1205277072 /nfs/dbraw/zinc/27/70/72/1205277072.db2.gz GPPQFLXFLGQPKH-OWCLPIDISA-N 2 1 359.474 0.750 20 30 FCEDMP C=CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092374826 1205277074 /nfs/dbraw/zinc/27/70/74/1205277074.db2.gz GPPQFLXFLGQPKH-OWCLPIDISA-N 2 1 359.474 0.750 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccnc(OC)n2)C[C@H]1C ZINC001092689954 1205348413 /nfs/dbraw/zinc/34/84/13/1205348413.db2.gz UMGRFRCHOOPEOP-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccnc(OC)n2)C[C@H]1C ZINC001092689954 1205348418 /nfs/dbraw/zinc/34/84/18/1205348418.db2.gz UMGRFRCHOOPEOP-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccnc(OC)n2)C[C@H]1C ZINC001092689954 1205348423 /nfs/dbraw/zinc/34/84/23/1205348423.db2.gz UMGRFRCHOOPEOP-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccnc(OC)n2)C[C@H]1C ZINC001092689954 1205348425 /nfs/dbraw/zinc/34/84/25/1205348425.db2.gz UMGRFRCHOOPEOP-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133370 1206032217 /nfs/dbraw/zinc/03/22/17/1206032217.db2.gz DAHKTRUGHJFHEH-BRWVUGGUSA-N 2 1 360.502 0.553 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)C1=O ZINC001093133371 1206032889 /nfs/dbraw/zinc/03/28/89/1206032889.db2.gz DAHKTRUGHJFHEH-ZACQAIPSSA-N 2 1 360.502 0.553 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001093826032 1206124378 /nfs/dbraw/zinc/12/43/78/1206124378.db2.gz YIILAVCSRVPDIM-JFIYKMOQSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)N(C)C)CC2 ZINC001094437376 1206226352 /nfs/dbraw/zinc/22/63/52/1206226352.db2.gz SAQXUFFRFPKHBP-SQGPQFPESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)N(C)C)CC2 ZINC001094437376 1206226355 /nfs/dbraw/zinc/22/63/55/1206226355.db2.gz SAQXUFFRFPKHBP-SQGPQFPESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N(C)C)CC2 ZINC001094437376 1206226359 /nfs/dbraw/zinc/22/63/59/1206226359.db2.gz SAQXUFFRFPKHBP-SQGPQFPESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)N(C)C)CC2 ZINC001094437376 1206226363 /nfs/dbraw/zinc/22/63/63/1206226363.db2.gz SAQXUFFRFPKHBP-SQGPQFPESA-N 2 1 360.502 0.533 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810247 1206365764 /nfs/dbraw/zinc/36/57/64/1206365764.db2.gz AELGQFYYKQJULF-BRWVUGGUSA-N 2 1 368.522 0.662 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810247 1206365766 /nfs/dbraw/zinc/36/57/66/1206365766.db2.gz AELGQFYYKQJULF-BRWVUGGUSA-N 2 1 368.522 0.662 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410477 1206496799 /nfs/dbraw/zinc/49/67/99/1206496799.db2.gz WMXJBNAJBZZKIO-KZNAEPCWSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410477 1206496802 /nfs/dbraw/zinc/49/68/02/1206496802.db2.gz WMXJBNAJBZZKIO-KZNAEPCWSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971250 1207405490 /nfs/dbraw/zinc/40/54/90/1207405490.db2.gz GWSSXXMNJPXEGI-YESZJQIVSA-N 2 1 371.485 0.679 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188611251 1207466525 /nfs/dbraw/zinc/46/65/25/1207466525.db2.gz WHRISPPGRYVSFE-KZIZELGASA-N 2 1 361.486 0.585 20 30 FCEDMP C[N@@H+](CC(=O)N[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H]1O)C1CCC1 ZINC001193791350 1207889219 /nfs/dbraw/zinc/88/92/19/1207889219.db2.gz KAZVCAQCUZMEMJ-RTBURBONSA-N 2 1 359.445 0.823 20 30 FCEDMP C=CCNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197000371 1208127894 /nfs/dbraw/zinc/12/78/94/1208127894.db2.gz FMEQGYIXOIRFGF-GVDBMIGSSA-N 2 1 368.522 0.351 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@H]2O)CC1 ZINC001199028948 1208312151 /nfs/dbraw/zinc/31/21/51/1208312151.db2.gz BFSPUNGYUUDUJQ-RTBURBONSA-N 2 1 365.518 0.556 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCC(C)C)C[C@@H]2O)CC1 ZINC001221078978 1225212864 /nfs/dbraw/zinc/21/28/64/1225212864.db2.gz BFSPUNGYUUDUJQ-MOPGFXCFSA-N 2 1 365.518 0.556 20 30 FCEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001275871565 1211301758 /nfs/dbraw/zinc/30/17/58/1211301758.db2.gz LHGNDKSPYZMNAO-IAGOWNOFSA-N 2 1 360.502 0.697 20 30 FCEDMP CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111406181 1212992340 /nfs/dbraw/zinc/99/23/40/1212992340.db2.gz XPLZXQFNPFNXFX-VQHPVUNQSA-N 2 1 361.490 0.422 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000954417264 1213073280 /nfs/dbraw/zinc/07/32/80/1213073280.db2.gz UIHCCYPACHBSCP-KSZLIROESA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000954417264 1213073284 /nfs/dbraw/zinc/07/32/84/1213073284.db2.gz UIHCCYPACHBSCP-KSZLIROESA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000954417264 1213073289 /nfs/dbraw/zinc/07/32/89/1213073289.db2.gz UIHCCYPACHBSCP-KSZLIROESA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000954417264 1213073293 /nfs/dbraw/zinc/07/32/93/1213073293.db2.gz UIHCCYPACHBSCP-KSZLIROESA-N 2 1 360.502 0.484 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823497 1225494514 /nfs/dbraw/zinc/49/45/14/1225494514.db2.gz RURALVPXFQFDEH-IPMKNSEASA-N 2 1 363.502 0.670 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823497 1225494517 /nfs/dbraw/zinc/49/45/17/1225494517.db2.gz RURALVPXFQFDEH-IPMKNSEASA-N 2 1 363.502 0.670 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045903 1225588429 /nfs/dbraw/zinc/58/84/29/1225588429.db2.gz WHSBAGZFGNNZER-RCCFBDPRSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045903 1225588435 /nfs/dbraw/zinc/58/84/35/1225588435.db2.gz WHSBAGZFGNNZER-RCCFBDPRSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694182 1225646216 /nfs/dbraw/zinc/64/62/16/1225646216.db2.gz RQHXTWZMMSNAGC-SQNIBIBYSA-N 2 1 358.486 0.000 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694182 1225646218 /nfs/dbraw/zinc/64/62/18/1225646218.db2.gz RQHXTWZMMSNAGC-SQNIBIBYSA-N 2 1 358.486 0.000 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222789495 1225653205 /nfs/dbraw/zinc/65/32/05/1225653205.db2.gz LWUXOGQUEIFRBI-IKGGRYGDSA-N 2 1 366.481 0.339 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222789495 1225653209 /nfs/dbraw/zinc/65/32/09/1225653209.db2.gz LWUXOGQUEIFRBI-IKGGRYGDSA-N 2 1 366.481 0.339 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222920998 1225667147 /nfs/dbraw/zinc/66/71/47/1225667147.db2.gz BFJRGUXANNGHAA-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521589 1225712414 /nfs/dbraw/zinc/71/24/14/1225712414.db2.gz DFNQEFFYQIILHI-SJORKVTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521589 1225712416 /nfs/dbraw/zinc/71/24/16/1225712416.db2.gz DFNQEFFYQIILHI-SJORKVTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]21 ZINC001223521589 1225712418 /nfs/dbraw/zinc/71/24/18/1225712418.db2.gz DFNQEFFYQIILHI-SJORKVTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737541 1225731557 /nfs/dbraw/zinc/73/15/57/1225731557.db2.gz NPUDOXOWTSWDLI-MSOLQXFVSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737541 1225731561 /nfs/dbraw/zinc/73/15/61/1225731561.db2.gz NPUDOXOWTSWDLI-MSOLQXFVSA-N 2 1 360.502 0.391 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001095963049 1217781855 /nfs/dbraw/zinc/78/18/55/1217781855.db2.gz RKMLQQSHOFBGMP-VSZNYVQBSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001095963049 1217781858 /nfs/dbraw/zinc/78/18/58/1217781858.db2.gz RKMLQQSHOFBGMP-VSZNYVQBSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047383848 1218136143 /nfs/dbraw/zinc/13/61/43/1218136143.db2.gz KAGLYMJHOLOCFQ-XWSJACJDSA-N 2 1 365.518 0.813 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCN(CC)C2=O)CC1 ZINC001096608485 1218575978 /nfs/dbraw/zinc/57/59/78/1218575978.db2.gz XTGSUSMZCGMGTF-XWSJACJDSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)NCCC)CC1 ZINC001111456439 1218867320 /nfs/dbraw/zinc/86/73/20/1218867320.db2.gz CPXMUWXKTHHUMP-OWYHZJEWSA-N 2 1 374.529 0.968 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)NCCC)CC1 ZINC001111456439 1218867323 /nfs/dbraw/zinc/86/73/23/1218867323.db2.gz CPXMUWXKTHHUMP-OWYHZJEWSA-N 2 1 374.529 0.968 20 30 FCEDMP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226773021 1225854210 /nfs/dbraw/zinc/85/42/10/1225854210.db2.gz BNCHIWIKEYZITP-KFWWJZLASA-N 2 1 358.446 0.417 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804057881 1219111167 /nfs/dbraw/zinc/11/11/67/1219111167.db2.gz CEBOFANYWNMPKC-IRXDYDNUSA-N 2 1 364.490 0.123 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230599 1220236883 /nfs/dbraw/zinc/23/68/83/1220236883.db2.gz BLDNSJMTAWIKBX-UWVAXJGDSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230599 1220236886 /nfs/dbraw/zinc/23/68/86/1220236886.db2.gz BLDNSJMTAWIKBX-UWVAXJGDSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101231373 1220236950 /nfs/dbraw/zinc/23/69/50/1220236950.db2.gz ZELPYMHOZDLOMZ-HLIPFELVSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101231373 1220236953 /nfs/dbraw/zinc/23/69/53/1220236953.db2.gz ZELPYMHOZDLOMZ-HLIPFELVSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257404 1220250612 /nfs/dbraw/zinc/25/06/12/1220250612.db2.gz SHTOBIDVHGXZHN-MDZRGWNJSA-N 2 1 368.497 0.749 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101267810 1220256798 /nfs/dbraw/zinc/25/67/98/1220256798.db2.gz UACQVOFLCRBINT-FCEWJHQRSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271236 1220258455 /nfs/dbraw/zinc/25/84/55/1220258455.db2.gz KBKYZPXSFMWVJE-UWVAXJGDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271236 1220258460 /nfs/dbraw/zinc/25/84/60/1220258460.db2.gz KBKYZPXSFMWVJE-UWVAXJGDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271236 1220258465 /nfs/dbraw/zinc/25/84/65/1220258465.db2.gz KBKYZPXSFMWVJE-UWVAXJGDSA-N 2 1 360.502 0.391 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418539 1220332404 /nfs/dbraw/zinc/33/24/04/1220332404.db2.gz WNPRKTWNIIILOC-UWVAXJGDSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418539 1220332408 /nfs/dbraw/zinc/33/24/08/1220332408.db2.gz WNPRKTWNIIILOC-UWVAXJGDSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418539 1220332413 /nfs/dbraw/zinc/33/24/13/1220332413.db2.gz WNPRKTWNIIILOC-UWVAXJGDSA-N 2 1 362.518 0.895 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436893 1220344947 /nfs/dbraw/zinc/34/49/47/1220344947.db2.gz QKZDVAVCWKCTMQ-QKLQHJQFSA-N 2 1 362.518 0.637 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461570 1220359434 /nfs/dbraw/zinc/35/94/34/1220359434.db2.gz IXHDYNNIXBKLPT-NSHGMRRFSA-N 2 1 365.518 0.938 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474110 1220365840 /nfs/dbraw/zinc/36/58/40/1220365840.db2.gz HUFQYRBPIJZSJI-XLIONFOSSA-N 2 1 362.518 0.945 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001101476465 1220367920 /nfs/dbraw/zinc/36/79/20/1220367920.db2.gz UHFSJNSCXMQHSN-UWVAXJGDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476465 1220367923 /nfs/dbraw/zinc/36/79/23/1220367923.db2.gz UHFSJNSCXMQHSN-UWVAXJGDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476465 1220367931 /nfs/dbraw/zinc/36/79/31/1220367931.db2.gz UHFSJNSCXMQHSN-UWVAXJGDSA-N 2 1 360.502 0.391 20 30 FCEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102045040 1220476306 /nfs/dbraw/zinc/47/63/06/1220476306.db2.gz PHRKRMKAKLCHRD-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102045040 1220476309 /nfs/dbraw/zinc/47/63/09/1220476309.db2.gz PHRKRMKAKLCHRD-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102045040 1220476312 /nfs/dbraw/zinc/47/63/12/1220476312.db2.gz PHRKRMKAKLCHRD-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C(C)C)C[C@H]1C ZINC001102056131 1220480130 /nfs/dbraw/zinc/48/01/30/1220480130.db2.gz PLKDFAHHIPOQSJ-KURKYZTESA-N 2 1 362.518 0.635 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]1C ZINC001102056131 1220480133 /nfs/dbraw/zinc/48/01/33/1220480133.db2.gz PLKDFAHHIPOQSJ-KURKYZTESA-N 2 1 362.518 0.635 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1C ZINC001102056131 1220480134 /nfs/dbraw/zinc/48/01/34/1220480134.db2.gz PLKDFAHHIPOQSJ-KURKYZTESA-N 2 1 362.518 0.635 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C(C)C)C[C@H]1C ZINC001102056131 1220480137 /nfs/dbraw/zinc/48/01/37/1220480137.db2.gz PLKDFAHHIPOQSJ-KURKYZTESA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285290 1220574746 /nfs/dbraw/zinc/57/47/46/1220574746.db2.gz JCVRVYKXIPXDMI-HYVNUMGLSA-N 2 1 371.485 0.187 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285290 1220574752 /nfs/dbraw/zinc/57/47/52/1220574752.db2.gz JCVRVYKXIPXDMI-HYVNUMGLSA-N 2 1 371.485 0.187 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102377717 1220599677 /nfs/dbraw/zinc/59/96/77/1220599677.db2.gz DXUPDHLYLZLMTF-KFWWJZLASA-N 2 1 367.494 0.023 20 30 FCEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102427202 1220621167 /nfs/dbraw/zinc/62/11/67/1220621167.db2.gz IJAOUKQSTUNGBK-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102427202 1220621169 /nfs/dbraw/zinc/62/11/69/1220621169.db2.gz IJAOUKQSTUNGBK-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102427202 1220621174 /nfs/dbraw/zinc/62/11/74/1220621174.db2.gz IJAOUKQSTUNGBK-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513475 1220672278 /nfs/dbraw/zinc/67/22/78/1220672278.db2.gz MBFJJWNARNPFIS-ZACQAIPSSA-N 2 1 366.506 0.036 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC001102597999 1220719109 /nfs/dbraw/zinc/71/91/09/1220719109.db2.gz JQAXVNQKALYSLQ-NVXWUHKLSA-N 2 1 371.485 0.686 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001103438375 1220882354 /nfs/dbraw/zinc/88/23/54/1220882354.db2.gz DNXJWJUZOAGBHM-IAGOWNOFSA-N 2 1 364.534 0.788 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001103438375 1220882357 /nfs/dbraw/zinc/88/23/57/1220882357.db2.gz DNXJWJUZOAGBHM-IAGOWNOFSA-N 2 1 364.534 0.788 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001103438375 1220882359 /nfs/dbraw/zinc/88/23/59/1220882359.db2.gz DNXJWJUZOAGBHM-IAGOWNOFSA-N 2 1 364.534 0.788 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001103722630 1220952470 /nfs/dbraw/zinc/95/24/70/1220952470.db2.gz XGUCAMKGZJWJMX-KZNAEPCWSA-N 2 1 362.518 0.943 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001104213781 1221022141 /nfs/dbraw/zinc/02/21/41/1221022141.db2.gz PXSNKMQRJHLBOC-ZJPYXAASSA-N 2 1 362.518 0.540 20 30 FCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594031 1221317403 /nfs/dbraw/zinc/31/74/03/1221317403.db2.gz VMQGETINAUSFAH-HZPDHXFCSA-N 2 1 366.506 0.416 20 30 FCEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115594031 1221317408 /nfs/dbraw/zinc/31/74/08/1221317408.db2.gz VMQGETINAUSFAH-HZPDHXFCSA-N 2 1 366.506 0.416 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000836489169 1222625734 /nfs/dbraw/zinc/62/57/34/1222625734.db2.gz XSMQDDUEDNKYPF-UHFFFAOYSA-N 2 1 365.522 0.527 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1 ZINC000836489169 1222625739 /nfs/dbraw/zinc/62/57/39/1222625739.db2.gz XSMQDDUEDNKYPF-UHFFFAOYSA-N 2 1 365.522 0.527 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC000836489169 1222625743 /nfs/dbraw/zinc/62/57/43/1222625743.db2.gz XSMQDDUEDNKYPF-UHFFFAOYSA-N 2 1 365.522 0.527 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC[NH+](CC(=O)N(CC)CC)CC1 ZINC000836489169 1222625746 /nfs/dbraw/zinc/62/57/46/1222625746.db2.gz XSMQDDUEDNKYPF-UHFFFAOYSA-N 2 1 365.522 0.527 20 30 FCEDMP N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C3)C2)c1 ZINC001160373200 1223156606 /nfs/dbraw/zinc/15/66/06/1223156606.db2.gz XFEAYMSCBLWYNN-AZUAARDMSA-N 2 1 371.485 0.680 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641588 1223463886 /nfs/dbraw/zinc/46/38/86/1223463886.db2.gz VBRLAHPXCQDKOO-NUJGCVRESA-N 2 1 365.522 0.771 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207641588 1223463889 /nfs/dbraw/zinc/46/38/89/1223463889.db2.gz VBRLAHPXCQDKOO-NUJGCVRESA-N 2 1 365.522 0.771 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092603 1223515249 /nfs/dbraw/zinc/51/52/49/1223515249.db2.gz SGMVOWYOFCFMFZ-VQIMIIECSA-N 2 1 370.497 0.590 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001208092603 1223515258 /nfs/dbraw/zinc/51/52/58/1223515258.db2.gz SGMVOWYOFCFMFZ-VQIMIIECSA-N 2 1 370.497 0.590 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163958 1223520243 /nfs/dbraw/zinc/52/02/43/1223520243.db2.gz LLFIWHLFTLKQSV-IXDOHACOSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163958 1223520245 /nfs/dbraw/zinc/52/02/45/1223520245.db2.gz LLFIWHLFTLKQSV-IXDOHACOSA-N 2 1 362.518 0.825 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208493998 1223551506 /nfs/dbraw/zinc/55/15/06/1223551506.db2.gz ADZKAUYZDZLPCL-NVXWUHKLSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208493998 1223551509 /nfs/dbraw/zinc/55/15/09/1223551509.db2.gz ADZKAUYZDZLPCL-NVXWUHKLSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094694 1223725258 /nfs/dbraw/zinc/72/52/58/1223725258.db2.gz MELLSZXTQULDSW-KZNAEPCWSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094694 1223725262 /nfs/dbraw/zinc/72/52/62/1223725262.db2.gz MELLSZXTQULDSW-KZNAEPCWSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215728230 1224013979 /nfs/dbraw/zinc/01/39/79/1224013979.db2.gz NPAQWFDDWMJUNQ-OWCLPIDISA-N 2 1 359.474 0.581 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934190 1224025408 /nfs/dbraw/zinc/02/54/08/1224025408.db2.gz HLIKPJSRVYAVHT-HLLBOEOZSA-N 2 1 359.474 0.546 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853908 1224079317 /nfs/dbraw/zinc/07/93/17/1224079317.db2.gz ONFCCXLZCLOQIG-RBSFLKMASA-N 2 1 367.494 0.163 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C)CC1 ZINC000988098746 1249347083 /nfs/dbraw/zinc/34/70/83/1249347083.db2.gz SJQIADFXPLYOMN-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283155 1245705552 /nfs/dbraw/zinc/70/55/52/1245705552.db2.gz SHCJYNJUOKYTJA-MSOLQXFVSA-N 2 1 372.469 0.442 20 30 FCEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)O1 ZINC000996774848 1251428524 /nfs/dbraw/zinc/42/85/24/1251428524.db2.gz AYTDYJKUGKTNJI-AQEOSJORSA-N 2 1 363.506 0.274 20 30 FCEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCC([NH+]3CCN(CC#N)CC3)CC2)O1 ZINC000996774848 1251428530 /nfs/dbraw/zinc/42/85/30/1251428530.db2.gz AYTDYJKUGKTNJI-AQEOSJORSA-N 2 1 363.506 0.274 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001002475190 1252568018 /nfs/dbraw/zinc/56/80/18/1252568018.db2.gz VDVKIILPYAWNAW-CRAIPNDOSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001003676357 1253055353 /nfs/dbraw/zinc/05/53/53/1253055353.db2.gz HRXYLMWJBSZJIQ-GFEQUFNTSA-N 2 1 374.529 0.918 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001003676357 1253055354 /nfs/dbraw/zinc/05/53/54/1253055354.db2.gz HRXYLMWJBSZJIQ-GFEQUFNTSA-N 2 1 374.529 0.918 20 30 FCEDMP C#CCC[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370850 1254025216 /nfs/dbraw/zinc/02/52/16/1254025216.db2.gz QKWQYBHOANXZPW-QRVBRYPASA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCC[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370850 1254025226 /nfs/dbraw/zinc/02/52/26/1254025226.db2.gz QKWQYBHOANXZPW-QRVBRYPASA-N 2 1 363.502 0.574 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077565328 1254701521 /nfs/dbraw/zinc/70/15/21/1254701521.db2.gz DAIHLYWUTHNZOA-WQANXHIZSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)CC[N@H+]1C ZINC001077565328 1254701541 /nfs/dbraw/zinc/70/15/41/1254701541.db2.gz DAIHLYWUTHNZOA-WQANXHIZSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077565328 1254701557 /nfs/dbraw/zinc/70/15/57/1254701557.db2.gz DAIHLYWUTHNZOA-WQANXHIZSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077565328 1254701572 /nfs/dbraw/zinc/70/15/72/1254701572.db2.gz DAIHLYWUTHNZOA-WQANXHIZSA-N 2 1 356.470 0.950 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001078227029 1255338999 /nfs/dbraw/zinc/33/89/99/1255338999.db2.gz FVIAADZSMSQEKE-QXAKKESOSA-N 2 1 363.502 0.310 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001078227266 1255339944 /nfs/dbraw/zinc/33/99/44/1255339944.db2.gz RLDBBVGCRIWYIQ-RCCFBDPRSA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC001080997949 1256133510 /nfs/dbraw/zinc/13/35/10/1256133510.db2.gz PWGPXOPHTZNIPU-VQIMIIECSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2OC)CC1 ZINC001082383385 1256733988 /nfs/dbraw/zinc/73/39/88/1256733988.db2.gz VMMWCYINWVOPFD-RTBURBONSA-N 2 1 363.502 0.574 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001084409787 1258088313 /nfs/dbraw/zinc/08/83/13/1258088313.db2.gz ILODCCOLGQUARK-KBAYOESNSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001084409787 1258088320 /nfs/dbraw/zinc/08/83/20/1258088320.db2.gz ILODCCOLGQUARK-KBAYOESNSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001084409787 1258088327 /nfs/dbraw/zinc/08/83/27/1258088327.db2.gz ILODCCOLGQUARK-KBAYOESNSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001084409787 1258088334 /nfs/dbraw/zinc/08/83/34/1258088334.db2.gz ILODCCOLGQUARK-KBAYOESNSA-N 2 1 360.502 0.790 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039744 1259022493 /nfs/dbraw/zinc/02/24/93/1259022493.db2.gz WTFCKYOOVGAIOE-YVWKXTFCSA-N 2 1 370.497 0.723 20 30 FCEDMP C[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)CC1 ZINC001107530393 1259109102 /nfs/dbraw/zinc/10/91/02/1259109102.db2.gz PFLDJGNYCNZAPJ-VQIMIIECSA-N 2 1 361.490 0.329 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609494 1259132723 /nfs/dbraw/zinc/13/27/23/1259132723.db2.gz VAWAITCZUIVLAY-MBOZVWFJSA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609494 1259132730 /nfs/dbraw/zinc/13/27/30/1259132730.db2.gz VAWAITCZUIVLAY-MBOZVWFJSA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609494 1259132734 /nfs/dbraw/zinc/13/27/34/1259132734.db2.gz VAWAITCZUIVLAY-MBOZVWFJSA-N 2 1 362.518 0.991 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#Cc2ccccc2)CC[N@H+]1C ZINC001127695804 1259184936 /nfs/dbraw/zinc/18/49/36/1259184936.db2.gz ZDJHBWYLIJIIID-RBUKOAKNSA-N 2 1 370.497 0.590 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295418 1259456162 /nfs/dbraw/zinc/45/61/62/1259456162.db2.gz NXCBJCFSVXICDP-IAGOWNOFSA-N 2 1 365.478 0.076 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](OC)C1 ZINC001212295418 1259456167 /nfs/dbraw/zinc/45/61/67/1259456167.db2.gz NXCBJCFSVXICDP-IAGOWNOFSA-N 2 1 365.478 0.076 20 30 FCEDMP N#Cc1ccc(N2C[C@@]3(COCC[N@H+](CCCC[NH3+])C3)OCC2=O)cc1 ZINC001235488798 1259574312 /nfs/dbraw/zinc/57/43/12/1259574312.db2.gz DJQGLLCZUXWSHO-IBGZPJMESA-N 2 1 358.442 0.731 20 30 FCEDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccnc(C#N)c3)CC2)C1 ZINC001237462753 1259600132 /nfs/dbraw/zinc/60/01/32/1259600132.db2.gz KCEMQAWYAGLVKT-UHFFFAOYSA-N 2 1 371.485 0.956 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246700576 1259663014 /nfs/dbraw/zinc/66/30/14/1259663014.db2.gz YUQWZTQECJGQAV-PXNSSMCTSA-N 2 1 361.534 0.264 20 30 FCEDMP C=CCOC[C@H](O)C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001252466168 1259792230 /nfs/dbraw/zinc/79/22/30/1259792230.db2.gz MXMVHSPHUGIIGN-MRXNPFEDSA-N 2 1 361.490 0.193 20 30 FCEDMP C=CCOC[C@H](O)C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001252466168 1259792235 /nfs/dbraw/zinc/79/22/35/1259792235.db2.gz MXMVHSPHUGIIGN-MRXNPFEDSA-N 2 1 361.490 0.193 20 30 FCEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001336795649 1260224516 /nfs/dbraw/zinc/22/45/16/1260224516.db2.gz XHOURWZPPKIBKG-APWZRJJASA-N 2 1 350.459 0.820 20 30 FCEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001336795649 1260224520 /nfs/dbraw/zinc/22/45/20/1260224520.db2.gz XHOURWZPPKIBKG-APWZRJJASA-N 2 1 350.459 0.820 20 30 FCEDMP C[NH+]1CCC(C)(C[N@@H+]2C[C@@H]3C(C(=O)N4CC(CC#N)C4)=NO[C@@H]3C2)CC1 ZINC001280214311 1261034961 /nfs/dbraw/zinc/03/49/61/1261034961.db2.gz COVNQVBPUJJHLE-JKSUJKDBSA-N 2 1 359.474 0.777 20 30 FCEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC001343473181 1269918038 /nfs/dbraw/zinc/91/80/38/1269918038.db2.gz LNRCLNWCPMIFGF-OTWHNJEPSA-N 2 1 354.454 0.803 20 30 FCEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343473181 1269918041 /nfs/dbraw/zinc/91/80/41/1269918041.db2.gz LNRCLNWCPMIFGF-OTWHNJEPSA-N 2 1 354.454 0.803 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001574966775 1271686976 /nfs/dbraw/zinc/68/69/76/1271686976.db2.gz HGNRUXKCZYQFLX-VQIMIIECSA-N 2 1 372.517 0.909 20 30 FCEDMP C[C@H]1CCC[N@@H+](CCn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001576710233 1273579022 /nfs/dbraw/zinc/57/90/22/1273579022.db2.gz YZVOHLPENDSFNV-NXOAAHMSSA-N 2 1 373.505 0.943 20 30 FCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692086760 1289395351 /nfs/dbraw/zinc/39/53/51/1289395351.db2.gz MBKZJYDKRUGDQS-IXDOHACOSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692086760 1289395357 /nfs/dbraw/zinc/39/53/57/1289395357.db2.gz MBKZJYDKRUGDQS-IXDOHACOSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692086760 1289395365 /nfs/dbraw/zinc/39/53/65/1289395365.db2.gz MBKZJYDKRUGDQS-IXDOHACOSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692086760 1289395373 /nfs/dbraw/zinc/39/53/73/1289395373.db2.gz MBKZJYDKRUGDQS-IXDOHACOSA-N 2 1 361.490 0.281 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001689313241 1294737518 /nfs/dbraw/zinc/73/75/18/1294737518.db2.gz XTZLPVLSNDWXLY-CVEARBPZSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001689313241 1294737523 /nfs/dbraw/zinc/73/75/23/1294737523.db2.gz XTZLPVLSNDWXLY-CVEARBPZSA-N 2 1 363.506 0.669 20 30 FCEDMP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001070965821 837705324 /nfs/dbraw/zinc/70/53/24/837705324.db2.gz VSGFREIOKJHHBF-DLBZAZTESA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001070965821 837705330 /nfs/dbraw/zinc/70/53/30/837705330.db2.gz VSGFREIOKJHHBF-DLBZAZTESA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001070965821 837705334 /nfs/dbraw/zinc/70/53/34/837705334.db2.gz VSGFREIOKJHHBF-DLBZAZTESA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273533 844456262 /nfs/dbraw/zinc/45/62/62/844456262.db2.gz FVNAAGASVONUMZ-KZNAEPCWSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273533 844456268 /nfs/dbraw/zinc/45/62/68/844456268.db2.gz FVNAAGASVONUMZ-KZNAEPCWSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273533 844456278 /nfs/dbraw/zinc/45/62/78/844456278.db2.gz FVNAAGASVONUMZ-KZNAEPCWSA-N 2 1 353.507 0.982 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273792 844456496 /nfs/dbraw/zinc/45/64/96/844456496.db2.gz QEZUADWOXVKMLZ-KZNAEPCWSA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273792 844456499 /nfs/dbraw/zinc/45/64/99/844456499.db2.gz QEZUADWOXVKMLZ-KZNAEPCWSA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273792 844456502 /nfs/dbraw/zinc/45/65/02/844456502.db2.gz QEZUADWOXVKMLZ-KZNAEPCWSA-N 2 1 351.491 0.430 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C2)C1=O ZINC001102496689 844531415 /nfs/dbraw/zinc/53/14/15/844531415.db2.gz GQEFBMQQCOGQEM-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C2)C1=O ZINC001102496689 844531422 /nfs/dbraw/zinc/53/14/22/844531422.db2.gz GQEFBMQQCOGQEM-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C2)C1=O ZINC001102496689 844531427 /nfs/dbraw/zinc/53/14/27/844531427.db2.gz GQEFBMQQCOGQEM-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580612 844574102 /nfs/dbraw/zinc/57/41/02/844574102.db2.gz DPXCZTCVLQQTPC-KZNAEPCWSA-N 2 1 353.507 0.841 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001104679119 844932197 /nfs/dbraw/zinc/93/21/97/844932197.db2.gz GTKQWDQEECJHQO-GVDBMIGSSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)C1=O ZINC001107040661 845316679 /nfs/dbraw/zinc/31/66/79/845316679.db2.gz LLVLKLMMNUXULG-BRWVUGGUSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107551065 845396121 /nfs/dbraw/zinc/39/61/21/845396121.db2.gz VRJIYSDYOYTREO-FRQCXROJSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112158899 846425580 /nfs/dbraw/zinc/42/55/80/846425580.db2.gz CZNPJUWNHTUDKI-JHJVBQTASA-N 2 1 364.412 0.608 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129205594 848818400 /nfs/dbraw/zinc/81/84/00/848818400.db2.gz XHHSHRIFUJTVBI-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001131461633 849108428 /nfs/dbraw/zinc/10/84/28/849108428.db2.gz RUTXHJKQMJVGOD-SQNIBIBYSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461633 849108436 /nfs/dbraw/zinc/10/84/36/849108436.db2.gz RUTXHJKQMJVGOD-SQNIBIBYSA-N 2 1 351.491 0.879 20 30 FCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001158124662 850019954 /nfs/dbraw/zinc/01/99/54/850019954.db2.gz QUAGDEBIAGSEGN-KZNAEPCWSA-N 2 1 351.491 0.668 20 30 FCEDMP COCC#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124662 850019960 /nfs/dbraw/zinc/01/99/60/850019960.db2.gz QUAGDEBIAGSEGN-KZNAEPCWSA-N 2 1 351.491 0.668 20 30 FCEDMP COCC#CC[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001158124662 850019966 /nfs/dbraw/zinc/01/99/66/850019966.db2.gz QUAGDEBIAGSEGN-KZNAEPCWSA-N 2 1 351.491 0.668 20 30 FCEDMP COCC#CC[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001158124662 850019980 /nfs/dbraw/zinc/01/99/80/850019980.db2.gz QUAGDEBIAGSEGN-KZNAEPCWSA-N 2 1 351.491 0.668 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410524 851431087 /nfs/dbraw/zinc/43/10/87/851431087.db2.gz XWDUDAOXMRXCDE-BRWVUGGUSA-N 2 1 351.491 0.736 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410524 851431093 /nfs/dbraw/zinc/43/10/93/851431093.db2.gz XWDUDAOXMRXCDE-BRWVUGGUSA-N 2 1 351.491 0.736 20 30 FCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738136 852479457 /nfs/dbraw/zinc/47/94/57/852479457.db2.gz OOVYOMBFMRGALQ-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738136 852479462 /nfs/dbraw/zinc/47/94/62/852479462.db2.gz OOVYOMBFMRGALQ-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738136 852479465 /nfs/dbraw/zinc/47/94/65/852479465.db2.gz OOVYOMBFMRGALQ-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200651672 853506832 /nfs/dbraw/zinc/50/68/32/853506832.db2.gz GQVOAPRYBTXFNB-HYVNUMGLSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541188 853821967 /nfs/dbraw/zinc/82/19/67/853821967.db2.gz XUAGAOYAWZRSMP-IXDOHACOSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541188 853821968 /nfs/dbraw/zinc/82/19/68/853821968.db2.gz XUAGAOYAWZRSMP-IXDOHACOSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541188 853821974 /nfs/dbraw/zinc/82/19/74/853821974.db2.gz XUAGAOYAWZRSMP-IXDOHACOSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001207541188 853821975 /nfs/dbraw/zinc/82/19/75/853821975.db2.gz XUAGAOYAWZRSMP-IXDOHACOSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1=O ZINC001207757517 853853808 /nfs/dbraw/zinc/85/38/08/853853808.db2.gz DVRMLOWQXQVNNQ-OAGGEKHMSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2)C1=O ZINC001207757517 853853811 /nfs/dbraw/zinc/85/38/11/853853811.db2.gz DVRMLOWQXQVNNQ-OAGGEKHMSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)C1=O ZINC001207757517 853853814 /nfs/dbraw/zinc/85/38/14/853853814.db2.gz DVRMLOWQXQVNNQ-OAGGEKHMSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)C1=O ZINC001207757517 853853816 /nfs/dbraw/zinc/85/38/16/853853816.db2.gz DVRMLOWQXQVNNQ-OAGGEKHMSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208122921 853897873 /nfs/dbraw/zinc/89/78/73/853897873.db2.gz GDBBMBZQEXAEHN-HZPDHXFCSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208122921 853897880 /nfs/dbraw/zinc/89/78/80/853897880.db2.gz GDBBMBZQEXAEHN-HZPDHXFCSA-N 2 1 350.507 0.990 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOCC)C[C@H]2OC)CC1 ZINC001213920274 854825604 /nfs/dbraw/zinc/82/56/04/854825604.db2.gz VSDZRMNMTMFURK-QZTJIDSGSA-N 2 1 351.491 0.574 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]2C)C1=O ZINC001214998428 855049416 /nfs/dbraw/zinc/04/94/16/855049416.db2.gz XFRQCIJTSPTIEF-BZUAXINKSA-N 2 1 350.507 0.940 20 30 FCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650504 855458729 /nfs/dbraw/zinc/45/87/29/855458729.db2.gz BYQFKMYTRSAOIZ-FGTMMUONSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650504 855458733 /nfs/dbraw/zinc/45/87/33/855458733.db2.gz BYQFKMYTRSAOIZ-FGTMMUONSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095785 856461336 /nfs/dbraw/zinc/46/13/36/856461336.db2.gz JJRXVHIVWGVXSM-SQNIBIBYSA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095785 856461348 /nfs/dbraw/zinc/46/13/48/856461348.db2.gz JJRXVHIVWGVXSM-SQNIBIBYSA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018167 856767601 /nfs/dbraw/zinc/76/76/01/856767601.db2.gz PSHPBMPMQLWTOD-RCCFBDPRSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001223259084 856905986 /nfs/dbraw/zinc/90/59/86/856905986.db2.gz MQWCZZFKDUIAMJ-DLBZAZTESA-N 2 1 350.507 0.847 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001228623692 857219898 /nfs/dbraw/zinc/21/98/98/857219898.db2.gz HBIFUUYEBVGHKU-HZPDHXFCSA-N 2 1 350.507 0.731 20 30 FCEDMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@@H+]([C@@H]1CCN[C@H](C#N)C1)C2 ZINC001246671509 857589141 /nfs/dbraw/zinc/58/91/41/857589141.db2.gz SFZQSZGJQMARQF-MXYBEHONSA-N 2 1 360.380 0.648 20 30 FCEDMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@H+]([C@@H]1CCN[C@H](C#N)C1)C2 ZINC001246671509 857589151 /nfs/dbraw/zinc/58/91/51/857589151.db2.gz SFZQSZGJQMARQF-MXYBEHONSA-N 2 1 360.380 0.648 20 30 FCEDMP CCc1nsc(N2CCN(C(NC[C@H]3CC[N@@H+](C)C3)=[NH+]C)CC2)n1 ZINC000153163421 229183566 /nfs/dbraw/zinc/18/35/66/229183566.db2.gz UORZJPLGVYOQHY-CYBMUJFWSA-N 2 1 351.524 0.750 20 30 FCEDMP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000185524433 229233077 /nfs/dbraw/zinc/23/30/77/229233077.db2.gz VCYOKQHDSGMDOP-INIZCTEOSA-N 2 1 365.522 0.617 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](CO)Cc1ccc(F)cc1 ZINC000264103955 229322390 /nfs/dbraw/zinc/32/23/90/229322390.db2.gz OWUBGHZQCVXQJM-MRXNPFEDSA-N 2 1 352.454 0.603 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069442916 488372633 /nfs/dbraw/zinc/37/26/33/488372633.db2.gz KTSJXFDUWSWZAL-UHFFFAOYSA-N 2 1 351.495 0.489 20 30 FCEDMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCc2ccc(C#N)cc2)CC1 ZINC000264198284 488654420 /nfs/dbraw/zinc/65/44/20/488654420.db2.gz HYOAELVATQHGJZ-UHFFFAOYSA-N 2 1 371.485 0.564 20 30 FCEDMP CC(C)[C@@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171658409 488825506 /nfs/dbraw/zinc/82/55/06/488825506.db2.gz YRHLJRRJAYYTJB-GOSISDBHSA-N 2 1 351.495 0.431 20 30 FCEDMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000329756057 489033675 /nfs/dbraw/zinc/03/36/75/489033675.db2.gz MAJMKTJSMQDEQL-KSZLIROESA-N 2 1 368.522 0.667 20 30 FCEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330206367 489080559 /nfs/dbraw/zinc/08/05/59/489080559.db2.gz DEWIGKOEZUGJFK-IAGOWNOFSA-N 2 1 367.538 0.721 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000330349029 489093076 /nfs/dbraw/zinc/09/30/76/489093076.db2.gz JLRPBMDZLOJEPG-AWEZNQCLSA-N 2 1 363.466 0.455 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000330349029 489093078 /nfs/dbraw/zinc/09/30/78/489093078.db2.gz JLRPBMDZLOJEPG-AWEZNQCLSA-N 2 1 363.466 0.455 20 30 FCEDMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)NC(=O)NC)CC2)CC1 ZINC000330651497 489127991 /nfs/dbraw/zinc/12/79/91/489127991.db2.gz IGYNWXBROOQILY-UHFFFAOYSA-N 2 1 367.494 0.303 20 30 FCEDMP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000330733368 489137769 /nfs/dbraw/zinc/13/77/69/489137769.db2.gz LODBJDGNNWKTGC-UHFFFAOYSA-N 2 1 353.511 0.915 20 30 FCEDMP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000297742171 489233317 /nfs/dbraw/zinc/23/33/17/489233317.db2.gz HUDNWHZBSXVRIQ-UHFFFAOYSA-N 2 1 371.485 0.613 20 30 FCEDMP CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000297742171 489233321 /nfs/dbraw/zinc/23/33/21/489233321.db2.gz HUDNWHZBSXVRIQ-UHFFFAOYSA-N 2 1 371.485 0.613 20 30 FCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000369752930 489270809 /nfs/dbraw/zinc/27/08/09/489270809.db2.gz LTMABUIMJFLLKH-PKOBYXMFSA-N 2 1 374.529 0.923 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000284464150 489311578 /nfs/dbraw/zinc/31/15/78/489311578.db2.gz GGRSLECTENPGRO-UHFFFAOYSA-N 2 1 370.497 0.928 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000284464150 489311580 /nfs/dbraw/zinc/31/15/80/489311580.db2.gz GGRSLECTENPGRO-UHFFFAOYSA-N 2 1 370.497 0.928 20 30 FCEDMP CN(CCC#N)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000498563380 490313061 /nfs/dbraw/zinc/31/30/61/490313061.db2.gz YXAIKMFTUCGZNO-UHFFFAOYSA-N 2 1 366.491 0.274 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000519550548 490975604 /nfs/dbraw/zinc/97/56/04/490975604.db2.gz RJERTANMERSUON-QGZVFWFLSA-N 2 1 362.518 0.943 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000557730926 491394012 /nfs/dbraw/zinc/39/40/12/491394012.db2.gz LZKUBQLDPJQUTP-QGZVFWFLSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000557730926 491394014 /nfs/dbraw/zinc/39/40/14/491394014.db2.gz LZKUBQLDPJQUTP-QGZVFWFLSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000557732008 491394228 /nfs/dbraw/zinc/39/42/28/491394228.db2.gz KLASIMKWIKVQEO-UHFFFAOYSA-N 2 1 364.490 0.076 20 30 FCEDMP N#Cc1cccc(C[NH+]2CCC(NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000602335268 491979936 /nfs/dbraw/zinc/97/99/36/491979936.db2.gz VVWQOIYRZAYZPM-LJQANCHMSA-N 2 1 371.485 0.888 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O ZINC000609584282 492215215 /nfs/dbraw/zinc/21/52/15/492215215.db2.gz WUQXZMGXEYRFLA-CVEARBPZSA-N 2 1 361.490 0.423 20 30 FCEDMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCOCC3)c2)C1 ZINC000267469467 534452134 /nfs/dbraw/zinc/45/21/34/534452134.db2.gz XJRYOWGRKXROHZ-KRWDZBQOSA-N 2 1 359.474 0.531 20 30 FCEDMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261665548 526354320 /nfs/dbraw/zinc/35/43/20/526354320.db2.gz BINWHTJHKAVPFY-KRWDZBQOSA-N 2 1 352.483 0.212 20 30 FCEDMP C[NH+]=C(NCC[N@H+]1CCC[C@@H](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261661515 526355921 /nfs/dbraw/zinc/35/59/21/526355921.db2.gz FXVLKWKMOKCDKQ-OAHLLOKOSA-N 2 1 361.494 0.376 20 30 FCEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)NC1CCN(C(=O)C2CC2)CC1 ZINC000262805073 526374759 /nfs/dbraw/zinc/37/47/59/526374759.db2.gz RWGAIWJSYRPMLD-SFHVURJKSA-N 2 1 367.563 0.990 20 30 FCEDMP CCC[N@H+]1CC[C@@H](CNC(=[NH+]C)N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC000261689754 528249054 /nfs/dbraw/zinc/24/90/54/528249054.db2.gz IJSMJTAMKJBILL-HNNXBMFYSA-N 2 1 361.494 0.376 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCN(c2ncccn2)CC1 ZINC000264121153 529071720 /nfs/dbraw/zinc/07/17/20/529071720.db2.gz RBEDNRKYFWWQLG-QGZVFWFLSA-N 2 1 374.537 0.377 20 30 FCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264121153 529071723 /nfs/dbraw/zinc/07/17/23/529071723.db2.gz RBEDNRKYFWWQLG-QGZVFWFLSA-N 3 1 374.537 0.377 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264121153 529071728 /nfs/dbraw/zinc/07/17/28/529071728.db2.gz RBEDNRKYFWWQLG-QGZVFWFLSA-N 3 1 374.537 0.377 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000264073984 529074924 /nfs/dbraw/zinc/07/49/24/529074924.db2.gz GUCUTZAXLVYINT-QGZVFWFLSA-N 3 1 359.522 0.722 20 30 FCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCN(C)CC2)nc1 ZINC000264073984 529074930 /nfs/dbraw/zinc/07/49/30/529074930.db2.gz GUCUTZAXLVYINT-QGZVFWFLSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(N2CCN(C)CC2)nc1 ZINC000264073984 529074934 /nfs/dbraw/zinc/07/49/34/529074934.db2.gz GUCUTZAXLVYINT-QGZVFWFLSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000264134202 529100520 /nfs/dbraw/zinc/10/05/20/529100520.db2.gz ZCORDPHFMWRVLR-OALUTQOASA-N 3 1 359.518 0.794 20 30 FCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264134202 529100521 /nfs/dbraw/zinc/10/05/21/529100521.db2.gz ZCORDPHFMWRVLR-OALUTQOASA-N 3 1 359.518 0.794 20 30 FCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264134202 529100524 /nfs/dbraw/zinc/10/05/24/529100524.db2.gz ZCORDPHFMWRVLR-OALUTQOASA-N 3 1 359.518 0.794 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000264134205 529101144 /nfs/dbraw/zinc/10/11/44/529101144.db2.gz ZCORDPHFMWRVLR-RBUKOAKNSA-N 3 1 359.518 0.794 20 30 FCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264134205 529101149 /nfs/dbraw/zinc/10/11/49/529101149.db2.gz ZCORDPHFMWRVLR-RBUKOAKNSA-N 3 1 359.518 0.794 20 30 FCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264134205 529101152 /nfs/dbraw/zinc/10/11/52/529101152.db2.gz ZCORDPHFMWRVLR-RBUKOAKNSA-N 3 1 359.518 0.794 20 30 FCEDMP CN(C(=O)NCC#CCO)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000923775427 663933459 /nfs/dbraw/zinc/93/34/59/663933459.db2.gz OREONECVALNAJI-ROUUACIJSA-N 2 1 350.507 0.961 20 30 FCEDMP COC[C@@H](C)NC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303867165 674572687 /nfs/dbraw/zinc/57/26/87/674572687.db2.gz CRTNFXMZMLFFRY-CQSZACIVSA-N 2 1 357.499 0.868 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccc(C)s1 ZINC000151420637 666530065 /nfs/dbraw/zinc/53/00/65/666530065.db2.gz WYPSLMFUAZOGOR-ZDUSSCGKSA-N 2 1 373.548 0.723 20 30 FCEDMP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052042930 676113447 /nfs/dbraw/zinc/11/34/47/676113447.db2.gz KKANCHLZDBDDEX-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C=CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052042930 676113449 /nfs/dbraw/zinc/11/34/49/676113449.db2.gz KKANCHLZDBDDEX-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001691630234 1194588103 /nfs/dbraw/zinc/58/81/03/1194588103.db2.gz KOOXGEAJPQDBIL-JKSUJKDBSA-N 2 1 350.507 0.588 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001076752842 1194989908 /nfs/dbraw/zinc/98/99/08/1194989908.db2.gz HHLOUNUTECWEDH-FJIDUMEYSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001076752842 1194989918 /nfs/dbraw/zinc/98/99/18/1194989918.db2.gz HHLOUNUTECWEDH-FJIDUMEYSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001076752842 1194989923 /nfs/dbraw/zinc/98/99/23/1194989923.db2.gz HHLOUNUTECWEDH-FJIDUMEYSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001076752842 1194989929 /nfs/dbraw/zinc/98/99/29/1194989929.db2.gz HHLOUNUTECWEDH-FJIDUMEYSA-N 2 1 362.518 0.825 20 30 FCEDMP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001077007389 1195141530 /nfs/dbraw/zinc/14/15/30/1195141530.db2.gz LBDWWZMZAXXHMM-GUDVDZBRSA-N 2 1 354.454 0.561 20 30 FCEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001077007389 1195141534 /nfs/dbraw/zinc/14/15/34/1195141534.db2.gz LBDWWZMZAXXHMM-GUDVDZBRSA-N 2 1 354.454 0.561 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H]3CCc4ncnn43)[C@@H]2C)CC1 ZINC001089059459 1196878953 /nfs/dbraw/zinc/87/89/53/1196878953.db2.gz MYFWAGCYKDDUNB-NXHRZFHOSA-N 2 1 370.501 0.690 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106244339 1197775961 /nfs/dbraw/zinc/77/59/61/1197775961.db2.gz KJUBAIOWGNXWQA-FGTMMUONSA-N 2 1 364.534 0.951 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](CC#CCOC)CCO)CC2)CC[N@H+]1C ZINC001098370883 1197797970 /nfs/dbraw/zinc/79/79/70/1197797970.db2.gz AQJLKRJTYWFYPZ-RBUKOAKNSA-N 2 1 365.518 0.652 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](CC#CCOC)CCO)CC2)CC[NH+]1C ZINC001098370883 1197797983 /nfs/dbraw/zinc/79/79/83/1197797983.db2.gz AQJLKRJTYWFYPZ-RBUKOAKNSA-N 2 1 365.518 0.652 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](CC#CCOC)CCO)CC2)CC[NH+]1C ZINC001098370883 1197797989 /nfs/dbraw/zinc/79/79/89/1197797989.db2.gz AQJLKRJTYWFYPZ-RBUKOAKNSA-N 2 1 365.518 0.652 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577121 1198020865 /nfs/dbraw/zinc/02/08/65/1198020865.db2.gz AXQKHCXOKXWFJT-ZACQAIPSSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577121 1198020874 /nfs/dbraw/zinc/02/08/74/1198020874.db2.gz AXQKHCXOKXWFJT-ZACQAIPSSA-N 2 1 366.506 0.082 20 30 FCEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796073 1224615652 /nfs/dbraw/zinc/61/56/52/1224615652.db2.gz LIACGIAOOBPXTJ-IBGZPJMESA-N 2 1 355.486 0.761 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557353 1200783521 /nfs/dbraw/zinc/78/35/21/1200783521.db2.gz BPHDKAONEGGJRV-UWVAXJGDSA-N 2 1 362.518 0.684 20 30 FCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112567445 1200802011 /nfs/dbraw/zinc/80/20/11/1200802011.db2.gz PYMKEXBIEVCGEK-LPHOPBHVSA-N 2 1 363.506 0.576 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586386 1200822479 /nfs/dbraw/zinc/82/24/79/1200822479.db2.gz XGTCZDOMXNUHLZ-UWVAXJGDSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892029 1201415625 /nfs/dbraw/zinc/41/56/25/1201415625.db2.gz DIEJQJAGTVMLHH-PMPSAXMXSA-N 2 1 353.430 0.417 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001129936593 1201436477 /nfs/dbraw/zinc/43/64/77/1201436477.db2.gz GIZVQZXFAXRTCB-AEFFLSMTSA-N 2 1 369.473 0.971 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001130213096 1201544787 /nfs/dbraw/zinc/54/47/87/1201544787.db2.gz TVTGVUGKKMRPRR-KBXIAJHMSA-N 2 1 362.478 0.409 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001130213096 1201544792 /nfs/dbraw/zinc/54/47/92/1201544792.db2.gz TVTGVUGKKMRPRR-KBXIAJHMSA-N 2 1 362.478 0.409 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001130213096 1201544796 /nfs/dbraw/zinc/54/47/96/1201544796.db2.gz TVTGVUGKKMRPRR-KBXIAJHMSA-N 2 1 362.478 0.409 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001130213096 1201544800 /nfs/dbraw/zinc/54/48/00/1201544800.db2.gz TVTGVUGKKMRPRR-KBXIAJHMSA-N 2 1 362.478 0.409 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001130213096 1201544803 /nfs/dbraw/zinc/54/48/03/1201544803.db2.gz TVTGVUGKKMRPRR-KBXIAJHMSA-N 2 1 362.478 0.409 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@H+](C)CC)n1 ZINC001130244941 1201565335 /nfs/dbraw/zinc/56/53/35/1201565335.db2.gz SCHTVXWELRTMQI-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@@H+](C)CC)[nH]1 ZINC001130244941 1201565338 /nfs/dbraw/zinc/56/53/38/1201565338.db2.gz SCHTVXWELRTMQI-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CC)[nH]1 ZINC001130244941 1201565340 /nfs/dbraw/zinc/56/53/40/1201565340.db2.gz SCHTVXWELRTMQI-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001130251376 1201570592 /nfs/dbraw/zinc/57/05/92/1201570592.db2.gz QSRKGCWSSWOWFT-GJZGRUSLSA-N 2 1 364.494 0.799 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001130251376 1201570595 /nfs/dbraw/zinc/57/05/95/1201570595.db2.gz QSRKGCWSSWOWFT-GJZGRUSLSA-N 2 1 364.494 0.799 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001130251376 1201570597 /nfs/dbraw/zinc/57/05/97/1201570597.db2.gz QSRKGCWSSWOWFT-GJZGRUSLSA-N 2 1 364.494 0.799 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC=C)C1 ZINC001130611070 1202730252 /nfs/dbraw/zinc/73/02/52/1202730252.db2.gz WDWDXVRREFNLKJ-UHOSZYNNSA-N 2 1 355.486 0.978 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCC=C)C1 ZINC001130611070 1202730255 /nfs/dbraw/zinc/73/02/55/1202730255.db2.gz WDWDXVRREFNLKJ-UHOSZYNNSA-N 2 1 355.486 0.978 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731452 1202772009 /nfs/dbraw/zinc/77/20/09/1202772009.db2.gz DVMYBPGELRDOII-JQHSSLGASA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731452 1202772010 /nfs/dbraw/zinc/77/20/10/1202772010.db2.gz DVMYBPGELRDOII-JQHSSLGASA-N 2 1 359.474 0.048 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125755 1202866781 /nfs/dbraw/zinc/86/67/81/1202866781.db2.gz KOVNZIXFLZPLCL-NUJGCVRESA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125755 1202866782 /nfs/dbraw/zinc/86/67/82/1202866782.db2.gz KOVNZIXFLZPLCL-NUJGCVRESA-N 2 1 361.490 0.601 20 30 FCEDMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(C#N)cn1)CC2 ZINC001144158515 1204428195 /nfs/dbraw/zinc/42/81/95/1204428195.db2.gz JOKAWTIMZKNSCK-UHFFFAOYSA-N 2 1 370.501 0.623 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@H](C)C(=O)NC)C[C@@]3(C)C2)CC1 ZINC001092300214 1205233446 /nfs/dbraw/zinc/23/34/46/1205233446.db2.gz RMOPUTZPLZNXNN-MDYRTPRTSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](C)C1 ZINC001093833051 1206126616 /nfs/dbraw/zinc/12/66/16/1206126616.db2.gz OXXZMMCMLIPZCP-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccnc(OC)n2)[C@H](C)C1 ZINC001093833051 1206126622 /nfs/dbraw/zinc/12/66/22/1206126622.db2.gz OXXZMMCMLIPZCP-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185943758 1206489216 /nfs/dbraw/zinc/48/92/16/1206489216.db2.gz UVBZOJPFWJCNKR-KBAYOESNSA-N 2 1 358.490 0.895 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135810 1207510858 /nfs/dbraw/zinc/51/08/58/1207510858.db2.gz OSJYFIBVDKVBJM-IXDOHACOSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135810 1207510861 /nfs/dbraw/zinc/51/08/61/1207510861.db2.gz OSJYFIBVDKVBJM-IXDOHACOSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135810 1207510863 /nfs/dbraw/zinc/51/08/63/1207510863.db2.gz OSJYFIBVDKVBJM-IXDOHACOSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135810 1207510865 /nfs/dbraw/zinc/51/08/65/1207510865.db2.gz OSJYFIBVDKVBJM-IXDOHACOSA-N 2 1 362.518 0.942 20 30 FCEDMP C=C[C@@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276815428 1225015015 /nfs/dbraw/zinc/01/50/15/1225015015.db2.gz PTHOBRNOMXAONH-QZTJIDSGSA-N 2 1 364.534 0.389 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276815591 1225029978 /nfs/dbraw/zinc/02/99/78/1225029978.db2.gz RNXBNJLBHNDTLY-AZUAARDMSA-N 2 1 364.534 0.628 20 30 FCEDMP C=C[C@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276815591 1225029984 /nfs/dbraw/zinc/02/99/84/1225029984.db2.gz RNXBNJLBHNDTLY-AZUAARDMSA-N 2 1 364.534 0.628 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276815591 1225029989 /nfs/dbraw/zinc/02/99/89/1225029989.db2.gz RNXBNJLBHNDTLY-AZUAARDMSA-N 2 1 364.534 0.628 20 30 FCEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831961 1207977867 /nfs/dbraw/zinc/97/78/67/1207977867.db2.gz JACBGUDHWFIEGM-MOXMWUHRSA-N 2 1 365.518 0.981 20 30 FCEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831961 1207977870 /nfs/dbraw/zinc/97/78/70/1207977870.db2.gz JACBGUDHWFIEGM-MOXMWUHRSA-N 2 1 365.518 0.981 20 30 FCEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194831961 1207977873 /nfs/dbraw/zinc/97/78/73/1207977873.db2.gz JACBGUDHWFIEGM-MOXMWUHRSA-N 2 1 365.518 0.981 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001196184866 1208064361 /nfs/dbraw/zinc/06/43/61/1208064361.db2.gz JCOWZBWHYXSPGO-RTBURBONSA-N 2 1 361.486 0.768 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883667723 1210684058 /nfs/dbraw/zinc/68/40/58/1210684058.db2.gz CZPNDVYQKAXTMI-SFHVURJKSA-N 2 1 365.522 0.037 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883667723 1210684060 /nfs/dbraw/zinc/68/40/60/1210684060.db2.gz CZPNDVYQKAXTMI-SFHVURJKSA-N 2 1 365.522 0.037 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883667723 1210684061 /nfs/dbraw/zinc/68/40/61/1210684061.db2.gz CZPNDVYQKAXTMI-SFHVURJKSA-N 2 1 365.522 0.037 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CC[C@@H]([NH+](C)[C@@H](C)C(=O)NCC#C)CC1 ZINC000886393855 1210829064 /nfs/dbraw/zinc/82/90/64/1210829064.db2.gz FYLPWCULDRNLKP-VPLLLXJESA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CC[C@@H]([N@H+](C)[C@@H](C)C(=O)NCC#C)CC1 ZINC000886393855 1210829066 /nfs/dbraw/zinc/82/90/66/1210829066.db2.gz FYLPWCULDRNLKP-VPLLLXJESA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CC[C@@H]([N@@H+](C)[C@@H](C)C(=O)NCC#C)CC1 ZINC000886393855 1210829070 /nfs/dbraw/zinc/82/90/70/1210829070.db2.gz FYLPWCULDRNLKP-VPLLLXJESA-N 2 1 360.502 0.437 20 30 FCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000104174588 1210938321 /nfs/dbraw/zinc/93/83/21/1210938321.db2.gz HQYVBHZRDAEALC-HNNXBMFYSA-N 2 1 368.526 0.395 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000890368956 1210975512 /nfs/dbraw/zinc/97/55/12/1210975512.db2.gz OVLDAQUPCDLSIT-IRXDYDNUSA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000890368956 1210975517 /nfs/dbraw/zinc/97/55/17/1210975517.db2.gz OVLDAQUPCDLSIT-IRXDYDNUSA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000890368956 1210975520 /nfs/dbraw/zinc/97/55/20/1210975520.db2.gz OVLDAQUPCDLSIT-IRXDYDNUSA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000890368956 1210975523 /nfs/dbraw/zinc/97/55/23/1210975523.db2.gz OVLDAQUPCDLSIT-IRXDYDNUSA-N 2 1 361.490 0.032 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945593 1216858764 /nfs/dbraw/zinc/85/87/64/1216858764.db2.gz QMVYXLLWHCGAOP-OAGGEKHMSA-N 2 1 355.446 0.970 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945593 1216858768 /nfs/dbraw/zinc/85/87/68/1216858768.db2.gz QMVYXLLWHCGAOP-OAGGEKHMSA-N 2 1 355.446 0.970 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737443 1225731456 /nfs/dbraw/zinc/73/14/56/1225731456.db2.gz IAIPQDZFVLHYIW-MSOLQXFVSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]21 ZINC001223737443 1225731459 /nfs/dbraw/zinc/73/14/59/1225731459.db2.gz IAIPQDZFVLHYIW-MSOLQXFVSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001095963048 1217782016 /nfs/dbraw/zinc/78/20/16/1217782016.db2.gz RKMLQQSHOFBGMP-OWSLCNJRSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001095963048 1217782020 /nfs/dbraw/zinc/78/20/20/1217782020.db2.gz RKMLQQSHOFBGMP-OWSLCNJRSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21 ZINC001224298477 1225771090 /nfs/dbraw/zinc/77/10/90/1225771090.db2.gz UIASPESXVUFLGL-SJORKVTESA-N 2 1 359.474 0.888 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnn(C)c2)CC1 ZINC001096608575 1218575837 /nfs/dbraw/zinc/57/58/37/1218575837.db2.gz YWHUNVZJHSPIBQ-QYZOEREBSA-N 2 1 355.486 0.987 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)N(C)C)CC1 ZINC001096605387 1218576403 /nfs/dbraw/zinc/57/64/03/1218576403.db2.gz MOFOOMUDLYAZIF-RANZSIQMSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)N(C)C)CC1 ZINC001096605387 1218576410 /nfs/dbraw/zinc/57/64/10/1218576410.db2.gz MOFOOMUDLYAZIF-RANZSIQMSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)CC1 ZINC001096605401 1218576571 /nfs/dbraw/zinc/57/65/71/1218576571.db2.gz NHFHOCARVOYQCP-QYZOEREBSA-N 2 1 372.513 0.676 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001226772998 1225854135 /nfs/dbraw/zinc/85/41/35/1225854135.db2.gz BIXDEKKGSOKYGX-OAGGEKHMSA-N 2 1 357.458 0.527 20 30 FCEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001055538826 1219072156 /nfs/dbraw/zinc/07/21/56/1219072156.db2.gz NHBKDCHJBPDBSL-NVXWUHKLSA-N 2 1 366.506 0.369 20 30 FCEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001055538826 1219072160 /nfs/dbraw/zinc/07/21/60/1219072160.db2.gz NHBKDCHJBPDBSL-NVXWUHKLSA-N 2 1 366.506 0.369 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCNC(=O)C#CC3CC3)CC2)CC[N@H+]1C ZINC001055573833 1219083485 /nfs/dbraw/zinc/08/34/85/1219083485.db2.gz JDBMUZQHBFOODQ-CRAIPNDOSA-N 2 1 360.502 0.437 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070234899 1219311125 /nfs/dbraw/zinc/31/11/25/1219311125.db2.gz NBCGJZZHBOSYJE-AEFFLSMTSA-N 2 1 369.473 0.971 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515622 1219449006 /nfs/dbraw/zinc/44/90/06/1219449006.db2.gz MWHOJDYTFIYUOC-DPYNHQQTSA-N 2 1 371.485 0.353 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001070655274 1219509614 /nfs/dbraw/zinc/50/96/14/1219509614.db2.gz CYXMJLWQNWRRCJ-RCCFBDPRSA-N 2 1 357.502 0.915 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001228216041 1225899970 /nfs/dbraw/zinc/89/99/70/1225899970.db2.gz RBXNTEKQCDQVRL-CGTJXYLNSA-N 2 1 371.485 0.520 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228623976 1225937730 /nfs/dbraw/zinc/93/77/30/1225937730.db2.gz PBJUPIHPISJLOK-BRWVUGGUSA-N 2 1 362.518 0.873 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230598 1220237134 /nfs/dbraw/zinc/23/71/34/1220237134.db2.gz BLDNSJMTAWIKBX-HLIPFELVSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101230598 1220237137 /nfs/dbraw/zinc/23/71/37/1220237137.db2.gz BLDNSJMTAWIKBX-HLIPFELVSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001101257935 1220251747 /nfs/dbraw/zinc/25/17/47/1220251747.db2.gz UKYPCKHHESIVCN-HLIPFELVSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101257935 1220251751 /nfs/dbraw/zinc/25/17/51/1220251751.db2.gz UKYPCKHHESIVCN-HLIPFELVSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101257935 1220251754 /nfs/dbraw/zinc/25/17/54/1220251754.db2.gz UKYPCKHHESIVCN-HLIPFELVSA-N 2 1 362.518 0.943 20 30 FCEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101271056 1220258547 /nfs/dbraw/zinc/25/85/47/1220258547.db2.gz BTCZVCHXRCJELO-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101271056 1220258552 /nfs/dbraw/zinc/25/85/52/1220258552.db2.gz BTCZVCHXRCJELO-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101271056 1220258554 /nfs/dbraw/zinc/25/85/54/1220258554.db2.gz BTCZVCHXRCJELO-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP C[NH+]1CCC[C@@H]1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101271056 1220258560 /nfs/dbraw/zinc/25/85/60/1220258560.db2.gz BTCZVCHXRCJELO-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461624 1220360690 /nfs/dbraw/zinc/36/06/90/1220360690.db2.gz LMGYHDSSOKZYBX-GGPKGHCWSA-N 2 1 363.502 0.385 20 30 FCEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001228932506 1225962930 /nfs/dbraw/zinc/96/29/30/1225962930.db2.gz OYIAKYRMYZCDQR-BRWVUGGUSA-N 2 1 363.506 0.906 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102122971 1220510432 /nfs/dbraw/zinc/51/04/32/1220510432.db2.gz WXAGANDIEYKXRH-BRWVUGGUSA-N 2 1 360.502 0.437 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171054 1220532851 /nfs/dbraw/zinc/53/28/51/1220532851.db2.gz CGYFAKBJGDSZQE-QUJXQBBWSA-N 2 1 363.502 0.736 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171054 1220532855 /nfs/dbraw/zinc/53/28/55/1220532855.db2.gz CGYFAKBJGDSZQE-QUJXQBBWSA-N 2 1 363.502 0.736 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171054 1220532858 /nfs/dbraw/zinc/53/28/58/1220532858.db2.gz CGYFAKBJGDSZQE-QUJXQBBWSA-N 2 1 363.502 0.736 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)C1=O ZINC001102289076 1220576235 /nfs/dbraw/zinc/57/62/35/1220576235.db2.gz AJYLFYGREKIWLL-ZACQAIPSSA-N 2 1 362.518 0.799 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601558 1220722510 /nfs/dbraw/zinc/72/25/10/1220722510.db2.gz IHMIPNGOMIHZIF-ZHALLVOQSA-N 2 1 362.518 0.540 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993609 1220817270 /nfs/dbraw/zinc/81/72/70/1220817270.db2.gz CKBYCYQYQKOPTJ-DJIMGWMZSA-N 2 1 361.490 0.042 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103376149 1220873345 /nfs/dbraw/zinc/87/33/45/1220873345.db2.gz MRVKUYQVADMTGE-IXDOHACOSA-N 2 1 362.518 0.540 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC1CC[NH+](C)CC1 ZINC001103497714 1220890962 /nfs/dbraw/zinc/89/09/62/1220890962.db2.gz UWPCACJIBCXCLF-NVXWUHKLSA-N 2 1 363.506 0.432 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662599 1220932304 /nfs/dbraw/zinc/93/23/04/1220932304.db2.gz FLJJXWXBPMKWBV-FGTMMUONSA-N 2 1 364.534 0.930 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662599 1220932311 /nfs/dbraw/zinc/93/23/11/1220932311.db2.gz FLJJXWXBPMKWBV-FGTMMUONSA-N 2 1 364.534 0.930 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662599 1220932320 /nfs/dbraw/zinc/93/23/20/1220932320.db2.gz FLJJXWXBPMKWBV-FGTMMUONSA-N 2 1 364.534 0.930 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855536 1221137679 /nfs/dbraw/zinc/13/76/79/1221137679.db2.gz AAAZJBDZMHESKI-FTRWYGJKSA-N 2 1 362.518 0.990 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112004397 1221198752 /nfs/dbraw/zinc/19/87/52/1221198752.db2.gz ZXCXMLQPRVIOLI-PXNSSMCTSA-N 2 1 360.502 0.583 20 30 FCEDMP N#C[C@H]1CNCCN1C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001157982204 1223085723 /nfs/dbraw/zinc/08/57/23/1223085723.db2.gz JBYSSWULLBGWTC-SVFBPWRDSA-N 2 1 367.497 0.812 20 30 FCEDMP C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206993105 1223402192 /nfs/dbraw/zinc/40/21/92/1223402192.db2.gz RZALGLYHOPRTSQ-BRSBDYLESA-N 2 1 362.518 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206993105 1223402194 /nfs/dbraw/zinc/40/21/94/1223402194.db2.gz RZALGLYHOPRTSQ-BRSBDYLESA-N 2 1 362.518 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206993105 1223402197 /nfs/dbraw/zinc/40/21/97/1223402197.db2.gz RZALGLYHOPRTSQ-BRSBDYLESA-N 2 1 362.518 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206993105 1223402198 /nfs/dbraw/zinc/40/21/98/1223402198.db2.gz RZALGLYHOPRTSQ-BRSBDYLESA-N 2 1 362.518 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206993105 1223402201 /nfs/dbraw/zinc/40/22/01/1223402201.db2.gz RZALGLYHOPRTSQ-BRSBDYLESA-N 2 1 362.518 0.964 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478563 1223623548 /nfs/dbraw/zinc/62/35/48/1223623548.db2.gz WHWBQYXISGODCT-GPMSIDNRSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478563 1223623551 /nfs/dbraw/zinc/62/35/51/1223623551.db2.gz WHWBQYXISGODCT-GPMSIDNRSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NCCC)C[C@H]2C)CC1 ZINC001211343978 1223736299 /nfs/dbraw/zinc/73/62/99/1223736299.db2.gz VZCWQJUPGFYFOP-SOLBZPMBSA-N 2 1 362.518 0.683 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001214674793 1223931132 /nfs/dbraw/zinc/93/11/32/1223931132.db2.gz YETWICBLYDELAG-OLMNPRSZSA-N 2 1 359.474 0.876 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001214674793 1223931135 /nfs/dbraw/zinc/93/11/35/1223931135.db2.gz YETWICBLYDELAG-OLMNPRSZSA-N 2 1 359.474 0.876 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216757594 1224068823 /nfs/dbraw/zinc/06/88/23/1224068823.db2.gz DUANGTNAZXBWSE-NVXWUHKLSA-N 2 1 359.474 0.829 20 30 FCEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000923378692 1245712642 /nfs/dbraw/zinc/71/26/42/1245712642.db2.gz WFYBVYILRQNPRM-GBESFXJTSA-N 2 1 369.469 0.812 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)CCCC(=O)N[C@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923579035 1245730918 /nfs/dbraw/zinc/73/09/18/1245730918.db2.gz MAWMNSCJHWJVBT-OALUTQOASA-N 2 1 372.513 0.584 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)CCCC(=O)N[C@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923579035 1245730922 /nfs/dbraw/zinc/73/09/22/1245730922.db2.gz MAWMNSCJHWJVBT-OALUTQOASA-N 2 1 372.513 0.584 20 30 FCEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001078174502 1255288284 /nfs/dbraw/zinc/28/82/84/1255288284.db2.gz NHUWIMHZRSBMNV-KBAYOESNSA-N 2 1 358.442 0.202 20 30 FCEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001078174502 1255288293 /nfs/dbraw/zinc/28/82/93/1255288293.db2.gz NHUWIMHZRSBMNV-KBAYOESNSA-N 2 1 358.442 0.202 20 30 FCEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001078174502 1255288300 /nfs/dbraw/zinc/28/83/00/1255288300.db2.gz NHUWIMHZRSBMNV-KBAYOESNSA-N 2 1 358.442 0.202 20 30 FCEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001078174502 1255288304 /nfs/dbraw/zinc/28/83/04/1255288304.db2.gz NHUWIMHZRSBMNV-KBAYOESNSA-N 2 1 358.442 0.202 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCO)C1 ZINC001079187710 1255468847 /nfs/dbraw/zinc/46/88/47/1255468847.db2.gz VCWGNIROQNYWEF-OTWHNJEPSA-N 2 1 359.445 0.800 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH2+]CCO)C1 ZINC001079187710 1255468852 /nfs/dbraw/zinc/46/88/52/1255468852.db2.gz VCWGNIROQNYWEF-OTWHNJEPSA-N 2 1 359.445 0.800 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2C)CC1 ZINC001080998116 1256133960 /nfs/dbraw/zinc/13/39/60/1256133960.db2.gz SVVYDOVOAXBOKO-VQIMIIECSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081683913 1256332967 /nfs/dbraw/zinc/33/29/67/1256332967.db2.gz VJDBMFXLZGEEND-MKXGPGLRSA-N 2 1 363.502 0.572 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(OC)nc2C)C1 ZINC001082567882 1256871919 /nfs/dbraw/zinc/87/19/19/1256871919.db2.gz IOGHJZGWTSXYPQ-OLMNPRSZSA-N 2 1 371.485 0.828 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cnc(OC)nc2C)C1 ZINC001082567882 1256871926 /nfs/dbraw/zinc/87/19/26/1256871926.db2.gz IOGHJZGWTSXYPQ-OLMNPRSZSA-N 2 1 371.485 0.828 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001084089467 1257913753 /nfs/dbraw/zinc/91/37/53/1257913753.db2.gz KTVSLJACRCHKTL-UXHICEINSA-N 2 1 366.465 0.565 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001084089467 1257913758 /nfs/dbraw/zinc/91/37/58/1257913758.db2.gz KTVSLJACRCHKTL-UXHICEINSA-N 2 1 366.465 0.565 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001084090001 1257914055 /nfs/dbraw/zinc/91/40/55/1257914055.db2.gz FVIAADZSMSQEKE-UHOSZYNNSA-N 2 1 363.502 0.310 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001084090268 1257916000 /nfs/dbraw/zinc/91/60/00/1257916000.db2.gz RLDBBVGCRIWYIQ-KURKYZTESA-N 2 1 363.502 0.308 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084630473 1258210822 /nfs/dbraw/zinc/21/08/22/1258210822.db2.gz ICTCZRROEIHBMG-FGTMMUONSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084630473 1258210827 /nfs/dbraw/zinc/21/08/27/1258210827.db2.gz ICTCZRROEIHBMG-FGTMMUONSA-N 2 1 360.502 0.648 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343746 1258908603 /nfs/dbraw/zinc/90/86/03/1258908603.db2.gz QNWKBTPQAOLISN-RDHHWEPZSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106669142 1258937867 /nfs/dbraw/zinc/93/78/67/1258937867.db2.gz YJKPVDZGVRURHV-IXDOHACOSA-N 2 1 362.518 0.540 20 30 FCEDMP C[NH+](C)C1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)CCC1 ZINC001107436614 1259087945 /nfs/dbraw/zinc/08/79/45/1259087945.db2.gz GEAIFGLBEIDMMH-CRAIPNDOSA-N 2 1 361.490 0.471 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439317 1259089613 /nfs/dbraw/zinc/08/96/13/1259089613.db2.gz VPCGBGIIANHUAW-YVWKXTFCSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472899 1259098527 /nfs/dbraw/zinc/09/85/27/1259098527.db2.gz PGEZSPCHRVHGTI-VQIMIIECSA-N 2 1 359.474 0.855 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472899 1259098538 /nfs/dbraw/zinc/09/85/38/1259098538.db2.gz PGEZSPCHRVHGTI-VQIMIIECSA-N 2 1 359.474 0.855 20 30 FCEDMP C#CCC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001127997448 1259190098 /nfs/dbraw/zinc/19/00/98/1259190098.db2.gz OCIUHUTZUWCIAT-OWCLPIDISA-N 2 1 358.490 0.552 20 30 FCEDMP C#CCN1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001129128418 1259323078 /nfs/dbraw/zinc/32/30/78/1259323078.db2.gz WKPPIPQCHJRKLP-MSOLQXFVSA-N 2 1 358.490 0.907 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)CCC)n1 ZINC001130249292 1259376497 /nfs/dbraw/zinc/37/64/97/1259376497.db2.gz WFCHKRMPULPAAT-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[nH]1 ZINC001130249292 1259376503 /nfs/dbraw/zinc/37/65/03/1259376503.db2.gz WFCHKRMPULPAAT-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[nH]1 ZINC001130249292 1259376507 /nfs/dbraw/zinc/37/65/07/1259376507.db2.gz WFCHKRMPULPAAT-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001251844920 1259766207 /nfs/dbraw/zinc/76/62/07/1259766207.db2.gz XZLCNZIKTVMGRW-HSALFYBXSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001251844920 1259766212 /nfs/dbraw/zinc/76/62/12/1259766212.db2.gz XZLCNZIKTVMGRW-HSALFYBXSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001251844920 1259766215 /nfs/dbraw/zinc/76/62/15/1259766215.db2.gz XZLCNZIKTVMGRW-HSALFYBXSA-N 2 1 359.470 0.615 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253388742 1259838986 /nfs/dbraw/zinc/83/89/86/1259838986.db2.gz MSUBXEIJIWWIOE-XLIONFOSSA-N 2 1 366.550 0.919 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253388742 1259838990 /nfs/dbraw/zinc/83/89/90/1259838990.db2.gz MSUBXEIJIWWIOE-XLIONFOSSA-N 2 1 366.550 0.919 20 30 FCEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001336795655 1260224849 /nfs/dbraw/zinc/22/48/49/1260224849.db2.gz XHOURWZPPKIBKG-VQIMIIECSA-N 2 1 350.459 0.820 20 30 FCEDMP C=CCc1ccc(OC[C@H](O)C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001336795655 1260224857 /nfs/dbraw/zinc/22/48/57/1260224857.db2.gz XHOURWZPPKIBKG-VQIMIIECSA-N 2 1 350.459 0.820 20 30 FCEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001574603608 1271406433 /nfs/dbraw/zinc/40/64/33/1271406433.db2.gz BUHNHHSDRLSDGP-QGZVFWFLSA-N 2 1 373.549 0.841 20 30 FCEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001574603608 1271406441 /nfs/dbraw/zinc/40/64/41/1271406441.db2.gz BUHNHHSDRLSDGP-QGZVFWFLSA-N 2 1 373.549 0.841 20 30 FCEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001574603608 1271406447 /nfs/dbraw/zinc/40/64/47/1271406447.db2.gz BUHNHHSDRLSDGP-QGZVFWFLSA-N 2 1 373.549 0.841 20 30 FCEDMP C=C1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001574867459 1271618878 /nfs/dbraw/zinc/61/88/78/1271618878.db2.gz QFZYNZOAZWDPFW-LPHOPBHVSA-N 2 1 360.506 0.968 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001692188966 1289425210 /nfs/dbraw/zinc/42/52/10/1289425210.db2.gz UORWPDGSMHMGFL-SJORKVTESA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001692188966 1289425214 /nfs/dbraw/zinc/42/52/14/1289425214.db2.gz UORWPDGSMHMGFL-SJORKVTESA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCC1 ZINC001698881071 1289538762 /nfs/dbraw/zinc/53/87/62/1289538762.db2.gz TULWPAUIKPRXCC-KBAYOESNSA-N 2 1 362.518 0.731 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699001669 1289542962 /nfs/dbraw/zinc/54/29/62/1289542962.db2.gz NOROARAQKRMOLB-QLFBSQMISA-N 2 1 367.494 0.117 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699001669 1289542965 /nfs/dbraw/zinc/54/29/65/1289542965.db2.gz NOROARAQKRMOLB-QLFBSQMISA-N 2 1 367.494 0.117 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699001669 1289542969 /nfs/dbraw/zinc/54/29/69/1289542969.db2.gz NOROARAQKRMOLB-QLFBSQMISA-N 2 1 367.494 0.117 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699001669 1289542972 /nfs/dbraw/zinc/54/29/72/1289542972.db2.gz NOROARAQKRMOLB-QLFBSQMISA-N 2 1 367.494 0.117 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1OCC ZINC001689066945 1294589376 /nfs/dbraw/zinc/58/93/76/1294589376.db2.gz JATSKYYCKHZKQT-BRWVUGGUSA-N 2 1 366.506 0.226 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275346 837642638 /nfs/dbraw/zinc/64/26/38/837642638.db2.gz HPBGMLPUOSYUMO-CFVMTHIKSA-N 2 1 352.870 0.714 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275346 837642640 /nfs/dbraw/zinc/64/26/40/837642640.db2.gz HPBGMLPUOSYUMO-CFVMTHIKSA-N 2 1 352.870 0.714 20 30 FCEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001071094782 837731455 /nfs/dbraw/zinc/73/14/55/837731455.db2.gz XHNJGRMSLYBJHG-MJGOQNOKSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001071105249 837735826 /nfs/dbraw/zinc/73/58/26/837735826.db2.gz LMXAFVLJMAPSTI-KURKYZTESA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001071105249 837735835 /nfs/dbraw/zinc/73/58/35/837735835.db2.gz LMXAFVLJMAPSTI-KURKYZTESA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101272433 844127970 /nfs/dbraw/zinc/12/79/70/844127970.db2.gz MFZIWHKVBZIIPY-AYBZRNKSSA-N 2 1 350.507 0.655 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101476545 844202009 /nfs/dbraw/zinc/20/20/09/844202009.db2.gz YGBOEGQQGBMWNN-MDZRGWNJSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101476545 844202021 /nfs/dbraw/zinc/20/20/21/844202021.db2.gz YGBOEGQQGBMWNN-MDZRGWNJSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101476545 844202028 /nfs/dbraw/zinc/20/20/28/844202028.db2.gz YGBOEGQQGBMWNN-MDZRGWNJSA-N 2 1 350.507 0.798 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524727 844551360 /nfs/dbraw/zinc/55/13/60/844551360.db2.gz SZJYFWHUQIWXLQ-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524727 844551363 /nfs/dbraw/zinc/55/13/63/844551363.db2.gz SZJYFWHUQIWXLQ-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524727 844551366 /nfs/dbraw/zinc/55/13/66/844551366.db2.gz SZJYFWHUQIWXLQ-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469669 841041651 /nfs/dbraw/zinc/04/16/51/841041651.db2.gz CQZZLYXCTANCJN-BDXSIMOUSA-N 2 1 351.491 0.471 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001103148256 844708130 /nfs/dbraw/zinc/70/81/30/844708130.db2.gz UCXMODDLUUPDFJ-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001103148256 844708136 /nfs/dbraw/zinc/70/81/36/844708136.db2.gz UCXMODDLUUPDFJ-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001103148256 844708140 /nfs/dbraw/zinc/70/81/40/844708140.db2.gz UCXMODDLUUPDFJ-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001103643128 844793401 /nfs/dbraw/zinc/79/34/01/844793401.db2.gz DZLDPSWPWBOSGM-BRWVUGGUSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001103643128 844793405 /nfs/dbraw/zinc/79/34/05/844793405.db2.gz DZLDPSWPWBOSGM-BRWVUGGUSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001103643128 844793411 /nfs/dbraw/zinc/79/34/11/844793411.db2.gz DZLDPSWPWBOSGM-BRWVUGGUSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271362 845146089 /nfs/dbraw/zinc/14/60/89/845146089.db2.gz CEWPLARUFHEMRX-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577122 845198992 /nfs/dbraw/zinc/19/89/92/845198992.db2.gz AZUAOHWHWXYEBW-KURKYZTESA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577122 845199004 /nfs/dbraw/zinc/19/90/04/845199004.db2.gz AZUAOHWHWXYEBW-KURKYZTESA-N 2 1 351.491 0.430 20 30 FCEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106672274 845222159 /nfs/dbraw/zinc/22/21/59/845222159.db2.gz NMZKWKXBOZQKKN-HUUCEWRRSA-N 2 1 351.495 0.288 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)C1=O ZINC001107040662 845317519 /nfs/dbraw/zinc/31/75/19/845317519.db2.gz LLVLKLMMNUXULG-ZACQAIPSSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001107451490 845376551 /nfs/dbraw/zinc/37/65/51/845376551.db2.gz VRJIYSDYOYTREO-GPMSIDNRSA-N 2 1 350.507 0.990 20 30 FCEDMP O=C(Nc1cccc(C(=O)N2CC[N@H+]3CC[C@H]3C2)c1)[C@@H]1C[C@H](S)C[NH2+]1 ZINC001161423765 850257983 /nfs/dbraw/zinc/25/79/83/850257983.db2.gz MRHKSDSYLUIJII-JYJNAYRXSA-N 2 1 360.483 0.816 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001194982932 852687171 /nfs/dbraw/zinc/68/71/71/852687171.db2.gz WIWFIFIGQCEJLY-IAGOWNOFSA-N 2 1 353.507 0.862 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211025597 854147934 /nfs/dbraw/zinc/14/79/34/854147934.db2.gz MPPFVHZXNSXDEX-IXDOHACOSA-N 2 1 350.507 0.799 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211025597 854147935 /nfs/dbraw/zinc/14/79/35/854147935.db2.gz MPPFVHZXNSXDEX-IXDOHACOSA-N 2 1 350.507 0.799 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211025597 854147936 /nfs/dbraw/zinc/14/79/36/854147936.db2.gz MPPFVHZXNSXDEX-IXDOHACOSA-N 2 1 350.507 0.799 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211025597 854147937 /nfs/dbraw/zinc/14/79/37/854147937.db2.gz MPPFVHZXNSXDEX-IXDOHACOSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958208 856749232 /nfs/dbraw/zinc/74/92/32/856749232.db2.gz KYBAADLZOZMIGO-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958208 856749241 /nfs/dbraw/zinc/74/92/41/856749241.db2.gz KYBAADLZOZMIGO-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001227028788 857138377 /nfs/dbraw/zinc/13/83/77/857138377.db2.gz MXJGHVGXWFLKGI-KLHDSHLOSA-N 2 1 352.479 0.025 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001227028788 857138381 /nfs/dbraw/zinc/13/83/81/857138381.db2.gz MXJGHVGXWFLKGI-KLHDSHLOSA-N 2 1 352.479 0.025 20 30 FCEDMP C#CCOC[C@H](O)CN1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001251835088 857755751 /nfs/dbraw/zinc/75/57/51/857755751.db2.gz FLBNFZZXFYGPOY-SJLPKXTDSA-N 2 1 352.475 0.737 20 30 FCEDMP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419852726 246322842 /nfs/dbraw/zinc/32/28/42/246322842.db2.gz RHZFVSLANMXLMQ-UHFFFAOYSA-N 2 1 357.458 0.318 20 30 FCEDMP C[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419852726 246322848 /nfs/dbraw/zinc/32/28/48/246322848.db2.gz RHZFVSLANMXLMQ-UHFFFAOYSA-N 2 1 357.458 0.318 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419893446 246355870 /nfs/dbraw/zinc/35/58/70/246355870.db2.gz MCWIAKMNALBXIJ-GOSISDBHSA-N 2 1 369.469 0.461 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419893446 246355874 /nfs/dbraw/zinc/35/58/74/246355874.db2.gz MCWIAKMNALBXIJ-GOSISDBHSA-N 2 1 369.469 0.461 20 30 FCEDMP C[C@@H]1C[C@@H](NC(NCC(=O)N(C)C)=[NH+]C2CCOCC2)C[N@H+]1C1CC1 ZINC000262244961 229299300 /nfs/dbraw/zinc/29/93/00/229299300.db2.gz ATZONBRLYBNNEK-UKRRQHHQSA-N 2 1 351.495 0.414 20 30 FCEDMP COc1cccc(C(=O)NCCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264059862 229321138 /nfs/dbraw/zinc/32/11/38/229321138.db2.gz CKWQGFSNKJNCRT-UHFFFAOYSA-N 2 1 363.462 0.052 20 30 FCEDMP Cc1cccc(OC[C@@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264128460 229323208 /nfs/dbraw/zinc/32/32/08/229323208.db2.gz XDRLSRPWPDIMHA-INIZCTEOSA-N 2 1 350.463 0.361 20 30 FCEDMP C[C@@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000267386529 229378618 /nfs/dbraw/zinc/37/86/18/229378618.db2.gz BRSTXDLLTKIUIQ-QGZVFWFLSA-N 2 1 356.417 0.799 20 30 FCEDMP O=C(C[N@H+]1CCC[C@](O)(Cn2ccnn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329010298 488959964 /nfs/dbraw/zinc/95/99/64/488959964.db2.gz ZNDHMSRWFRXSOO-GOSISDBHSA-N 2 1 362.478 0.688 20 30 FCEDMP O=C(C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329010298 488959967 /nfs/dbraw/zinc/95/99/67/488959967.db2.gz ZNDHMSRWFRXSOO-GOSISDBHSA-N 2 1 362.478 0.688 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000288709297 489007728 /nfs/dbraw/zinc/00/77/28/489007728.db2.gz KSZFXWBOJWFFJC-ZDUSSCGKSA-N 2 1 369.491 0.231 20 30 FCEDMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C ZINC000330215227 489080596 /nfs/dbraw/zinc/08/05/96/489080596.db2.gz GWYZAWOMYIVJST-NXHRZFHOSA-N 2 1 368.522 0.931 20 30 FCEDMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C ZINC000330215227 489080599 /nfs/dbraw/zinc/08/05/99/489080599.db2.gz GWYZAWOMYIVJST-NXHRZFHOSA-N 2 1 368.522 0.931 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cncc(C#N)c1 ZINC000289664348 489084917 /nfs/dbraw/zinc/08/49/17/489084917.db2.gz FOOYJPDKVPCMGD-MRXNPFEDSA-N 2 1 365.503 0.990 20 30 FCEDMP C#CCNc1nc(N2CCC[NH+](C)CC2)nc(N2CCC[N@H+](C)CC2)n1 ZINC000287066677 489457491 /nfs/dbraw/zinc/45/74/91/489457491.db2.gz SQUBMVDCCVWDMF-UHFFFAOYSA-N 2 1 358.494 0.201 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000557730534 491394305 /nfs/dbraw/zinc/39/43/05/491394305.db2.gz BEJACVIWXALJHL-HNNXBMFYSA-N 2 1 366.506 0.057 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000557730534 491394306 /nfs/dbraw/zinc/39/43/06/491394306.db2.gz BEJACVIWXALJHL-HNNXBMFYSA-N 2 1 366.506 0.057 20 30 FCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000591241658 491800045 /nfs/dbraw/zinc/80/00/45/491800045.db2.gz VBNHCHUVICOGDR-IRXDYDNUSA-N 2 1 365.547 0.833 20 30 FCEDMP C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262823138 526357087 /nfs/dbraw/zinc/35/70/87/526357087.db2.gz SXQXGSLJFHWOKE-CYBMUJFWSA-N 2 1 355.442 0.684 20 30 FCEDMP C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262823138 526357093 /nfs/dbraw/zinc/35/70/93/526357093.db2.gz SXQXGSLJFHWOKE-CYBMUJFWSA-N 2 1 355.442 0.684 20 30 FCEDMP C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000262356275 526372055 /nfs/dbraw/zinc/37/20/55/526372055.db2.gz FZBOVBQFZOZHMB-ZMSDIMECSA-N 2 1 368.547 0.945 20 30 FCEDMP C=CCNC(=[NH2+])NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1 ZINC000264318394 526387954 /nfs/dbraw/zinc/38/79/54/526387954.db2.gz WVBOPNZOJCEZRW-UHFFFAOYSA-N 2 1 373.501 0.862 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)=[NH+]C)CC1 ZINC000261701617 526396255 /nfs/dbraw/zinc/39/62/55/526396255.db2.gz UAYITDOJCRGBQW-UAGQMJEPSA-N 2 1 363.506 0.319 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000178089849 526427659 /nfs/dbraw/zinc/42/76/59/526427659.db2.gz BGNDKHIBYHNATD-QGZVFWFLSA-N 2 1 363.506 0.585 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1 ZINC000159370961 526926542 /nfs/dbraw/zinc/92/65/42/526926542.db2.gz KUDBAQLVPWWNTJ-HXUWFJFHSA-N 2 1 355.482 0.867 20 30 FCEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262785305 528816385 /nfs/dbraw/zinc/81/63/85/528816385.db2.gz MILQMCQNBFVQOQ-RHSMWYFYSA-N 2 1 365.551 0.894 20 30 FCEDMP Cc1nn(C)c(N2CCOCC2)c1C=[NH+]NCCC[NH+]1CCOCC1 ZINC000799489522 669301930 /nfs/dbraw/zinc/30/19/30/669301930.db2.gz WJNGVAUQRDMWOZ-UHFFFAOYSA-N 2 1 350.467 0.211 20 30 FCEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039276 675682181 /nfs/dbraw/zinc/68/21/81/675682181.db2.gz VIHYMTDVVTXKOE-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C=C(C)C[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039276 675682183 /nfs/dbraw/zinc/68/21/83/675682183.db2.gz VIHYMTDVVTXKOE-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C=C(C)C[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039276 675682184 /nfs/dbraw/zinc/68/21/84/675682184.db2.gz VIHYMTDVVTXKOE-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C=C(C)C[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039276 675682186 /nfs/dbraw/zinc/68/21/86/675682186.db2.gz VIHYMTDVVTXKOE-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C[N@H+]1C[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC001167093502 1168171814 /nfs/dbraw/zinc/17/18/14/1168171814.db2.gz OAQSJYOFLPXVHA-SJORKVTESA-N 2 1 357.458 0.067 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000947230246 1171766548 /nfs/dbraw/zinc/76/65/48/1171766548.db2.gz OZWRGLFHNUOPGD-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000947230246 1171766554 /nfs/dbraw/zinc/76/65/54/1171766554.db2.gz OZWRGLFHNUOPGD-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000947230246 1171766569 /nfs/dbraw/zinc/76/65/69/1171766569.db2.gz OZWRGLFHNUOPGD-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000947230246 1171766578 /nfs/dbraw/zinc/76/65/78/1171766578.db2.gz OZWRGLFHNUOPGD-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422325 1171952031 /nfs/dbraw/zinc/95/20/31/1171952031.db2.gz MAJXFDVVYWKUKX-DJIMGWMZSA-N 2 1 361.490 0.956 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)C[C@H]21 ZINC000972842898 1180887122 /nfs/dbraw/zinc/88/71/22/1180887122.db2.gz XEOFLBNHNBYQBE-FGTMMUONSA-N 2 1 369.469 0.348 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000973332763 1182243070 /nfs/dbraw/zinc/24/30/70/1182243070.db2.gz ZMCAAZRHCJHVRW-VDHUWJSZSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001691518228 1188402396 /nfs/dbraw/zinc/40/23/96/1188402396.db2.gz IRPXEKKMUNENIW-SCTDSRPQSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001691518228 1188402398 /nfs/dbraw/zinc/40/23/98/1188402398.db2.gz IRPXEKKMUNENIW-SCTDSRPQSA-N 2 1 362.518 0.825 20 30 FCEDMP C[NH+]1CCN(c2ncc(C[NH2+]CCNc3ccc(C#N)cn3)cn2)CC1 ZINC000897398397 1191068069 /nfs/dbraw/zinc/06/80/69/1191068069.db2.gz CVYGOGJDADOAML-UHFFFAOYSA-N 2 1 352.446 0.697 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)C1=O ZINC001076047855 1194272658 /nfs/dbraw/zinc/27/26/58/1194272658.db2.gz HRICYFHJFMQEJS-GVDBMIGSSA-N 2 1 357.458 0.511 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)C1=O ZINC001076047855 1194272661 /nfs/dbraw/zinc/27/26/61/1194272661.db2.gz HRICYFHJFMQEJS-GVDBMIGSSA-N 2 1 357.458 0.511 20 30 FCEDMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C#N)C1CCC1 ZINC000912534983 1196350438 /nfs/dbraw/zinc/35/04/38/1196350438.db2.gz IWTGDIQZSMMBJN-KRWDZBQOSA-N 2 1 361.490 0.518 20 30 FCEDMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C#N)C1)C1CCC1 ZINC000912534983 1196350440 /nfs/dbraw/zinc/35/04/40/1196350440.db2.gz IWTGDIQZSMMBJN-KRWDZBQOSA-N 2 1 361.490 0.518 20 30 FCEDMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C#N)C1)C1CCC1 ZINC000912534983 1196350442 /nfs/dbraw/zinc/35/04/42/1196350442.db2.gz IWTGDIQZSMMBJN-KRWDZBQOSA-N 2 1 361.490 0.518 20 30 FCEDMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C#N)C1CCC1 ZINC000912534984 1196350459 /nfs/dbraw/zinc/35/04/59/1196350459.db2.gz IWTGDIQZSMMBJN-QGZVFWFLSA-N 2 1 361.490 0.518 20 30 FCEDMP C[NH+](CC(=O)N1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C#N)C1)C1CCC1 ZINC000912534984 1196350463 /nfs/dbraw/zinc/35/04/63/1196350463.db2.gz IWTGDIQZSMMBJN-QGZVFWFLSA-N 2 1 361.490 0.518 20 30 FCEDMP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H](C#N)C1)C1CCC1 ZINC000912534984 1196350469 /nfs/dbraw/zinc/35/04/69/1196350469.db2.gz IWTGDIQZSMMBJN-QGZVFWFLSA-N 2 1 361.490 0.518 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@@H]2C)CC1 ZINC001089059522 1196879400 /nfs/dbraw/zinc/87/94/00/1196879400.db2.gz PKPBXHPXLRFSOJ-APWZRJJASA-N 2 1 357.502 0.887 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106244340 1197775759 /nfs/dbraw/zinc/77/57/59/1197775759.db2.gz KJUBAIOWGNXWQA-KZNAEPCWSA-N 2 1 364.534 0.951 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249435 1197782710 /nfs/dbraw/zinc/78/27/10/1197782710.db2.gz HNNUNMUVHXEPKZ-OAGGEKHMSA-N 2 1 359.474 0.747 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2cc[nH+]c2C)C1=O ZINC001085424216 1197888862 /nfs/dbraw/zinc/88/88/62/1197888862.db2.gz CXWQSDQWJZFBFH-BRWVUGGUSA-N 2 1 359.474 0.995 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@H]1C ZINC001106436024 1197922621 /nfs/dbraw/zinc/92/26/21/1197922621.db2.gz YHAWYILRXLKTAW-HZPDHXFCSA-N 2 1 371.485 0.195 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653274 1200445710 /nfs/dbraw/zinc/44/57/10/1200445710.db2.gz RFDPRDGTZYLHMC-IKGGRYGDSA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109653274 1200445712 /nfs/dbraw/zinc/44/57/12/1200445712.db2.gz RFDPRDGTZYLHMC-IKGGRYGDSA-N 2 1 363.506 0.812 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672436 1200460532 /nfs/dbraw/zinc/46/05/32/1200460532.db2.gz FFIRONKKPVRQDF-KBXIAJHMSA-N 2 1 365.478 0.060 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672436 1200460536 /nfs/dbraw/zinc/46/05/36/1200460536.db2.gz FFIRONKKPVRQDF-KBXIAJHMSA-N 2 1 365.478 0.060 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567718 1200802072 /nfs/dbraw/zinc/80/20/72/1200802072.db2.gz DXIOGUWTHJNIOJ-UWVAXJGDSA-N 2 1 362.518 0.684 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892052 1201415206 /nfs/dbraw/zinc/41/52/06/1201415206.db2.gz FEUDJEBXRLSZPK-KSZLIROESA-N 2 1 358.490 0.906 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130247221 1201567158 /nfs/dbraw/zinc/56/71/58/1201567158.db2.gz ZALWMDRVGDPPII-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130247221 1201567161 /nfs/dbraw/zinc/56/71/61/1201567161.db2.gz ZALWMDRVGDPPII-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n1 ZINC001130247221 1201567165 /nfs/dbraw/zinc/56/71/65/1201567165.db2.gz ZALWMDRVGDPPII-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130247221 1201567167 /nfs/dbraw/zinc/56/71/67/1201567167.db2.gz ZALWMDRVGDPPII-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130247221 1201567171 /nfs/dbraw/zinc/56/71/71/1201567171.db2.gz ZALWMDRVGDPPII-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994358 1202838379 /nfs/dbraw/zinc/83/83/79/1202838379.db2.gz VWFHZFBYAIWJKH-BRSBDYLESA-N 2 1 373.501 0.294 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131121465 1202866036 /nfs/dbraw/zinc/86/60/36/1202866036.db2.gz UUEKYBBXMITPGY-BRWVUGGUSA-N 2 1 361.490 0.458 20 30 FCEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001131578188 1202916205 /nfs/dbraw/zinc/91/62/05/1202916205.db2.gz MAZXTWLICJHICO-QUCCMNQESA-N 2 1 363.502 0.718 20 30 FCEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001131577976 1202916384 /nfs/dbraw/zinc/91/63/84/1202916384.db2.gz JSBOBKDZTUTMPO-QUCCMNQESA-N 2 1 363.502 0.718 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001131604904 1202918597 /nfs/dbraw/zinc/91/85/97/1202918597.db2.gz MOVXMZASPZKDRA-OTWHNJEPSA-N 2 1 363.502 0.574 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1 ZINC001131597152 1202919609 /nfs/dbraw/zinc/91/96/09/1202919609.db2.gz OJQXPVOKXDNGSX-QUCCMNQESA-N 2 1 365.518 0.964 20 30 FCEDMP C#Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000817824132 1203122181 /nfs/dbraw/zinc/12/21/81/1203122181.db2.gz ZEQVCYONZGCPTL-SFHVURJKSA-N 2 1 368.481 0.569 20 30 FCEDMP C#CCNC(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000819039352 1203149184 /nfs/dbraw/zinc/14/91/84/1203149184.db2.gz BQOIDDXCCHOXLN-GOSISDBHSA-N 2 1 356.470 0.613 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cccn3)C[C@@]2(C)C1 ZINC001091749811 1204840779 /nfs/dbraw/zinc/84/07/79/1204840779.db2.gz QFPFTMQNQZIIAE-HBFSDRIKSA-N 2 1 355.486 0.761 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cccn3)C[C@@]2(C)C1 ZINC001091749811 1204840781 /nfs/dbraw/zinc/84/07/81/1204840781.db2.gz QFPFTMQNQZIIAE-HBFSDRIKSA-N 2 1 355.486 0.761 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cccn3)C[C@@]2(C)C1 ZINC001091749811 1204840782 /nfs/dbraw/zinc/84/07/82/1204840782.db2.gz QFPFTMQNQZIIAE-HBFSDRIKSA-N 2 1 355.486 0.761 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cccn3)C[C@@]2(C)C1 ZINC001091749811 1204840785 /nfs/dbraw/zinc/84/07/85/1204840785.db2.gz QFPFTMQNQZIIAE-HBFSDRIKSA-N 2 1 355.486 0.761 20 30 FCEDMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC[NH+](CCO)CCO)C[C@H]1C#N ZINC001172970647 1206264813 /nfs/dbraw/zinc/26/48/13/1206264813.db2.gz IUZBRZYDCPYRKL-HOTGVXAUSA-N 2 1 370.494 0.544 20 30 FCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410166 1206496763 /nfs/dbraw/zinc/49/67/63/1206496763.db2.gz OUAJAZYVHRFUHI-FGTMMUONSA-N 2 1 363.502 0.574 20 30 FCEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410166 1206496765 /nfs/dbraw/zinc/49/67/65/1206496765.db2.gz OUAJAZYVHRFUHI-FGTMMUONSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410476 1206496878 /nfs/dbraw/zinc/49/68/78/1206496878.db2.gz WMXJBNAJBZZKIO-FGTMMUONSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410476 1206496880 /nfs/dbraw/zinc/49/68/80/1206496880.db2.gz WMXJBNAJBZZKIO-FGTMMUONSA-N 2 1 363.502 0.574 20 30 FCEDMP CCC(CC)[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)N1CCOCC1 ZINC000104160332 1210938230 /nfs/dbraw/zinc/93/82/30/1210938230.db2.gz BHSYIFJLTFCRGA-SFHVURJKSA-N 2 1 369.554 0.750 20 30 FCEDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)nc1)C2 ZINC001275923113 1211310149 /nfs/dbraw/zinc/31/01/49/1211310149.db2.gz OOXXJHGLNZGZQZ-LJQANCHMSA-N 2 1 357.458 0.566 20 30 FCEDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)nc1)C2 ZINC001275923113 1211310152 /nfs/dbraw/zinc/31/01/52/1211310152.db2.gz OOXXJHGLNZGZQZ-LJQANCHMSA-N 2 1 357.458 0.566 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001111323536 1212643434 /nfs/dbraw/zinc/64/34/34/1212643434.db2.gz HVCRBPFPNQFYMD-GDBMZVCRSA-N 2 1 371.489 0.103 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014274 1225575815 /nfs/dbraw/zinc/57/58/15/1225575815.db2.gz ZCDRMNKNFKRSHN-FGTMMUONSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014274 1225575818 /nfs/dbraw/zinc/57/58/18/1225575818.db2.gz ZCDRMNKNFKRSHN-FGTMMUONSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222014274 1225575823 /nfs/dbraw/zinc/57/58/23/1225575823.db2.gz ZCDRMNKNFKRSHN-FGTMMUONSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014274 1225575826 /nfs/dbraw/zinc/57/58/26/1225575826.db2.gz ZCDRMNKNFKRSHN-FGTMMUONSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223352965 1225699836 /nfs/dbraw/zinc/69/98/36/1225699836.db2.gz DMHKEXDNZHBXNL-MHORFTMASA-N 2 1 362.518 0.942 20 30 FCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001047538966 1218160862 /nfs/dbraw/zinc/16/08/62/1218160862.db2.gz BSBKYBZCLRLWBA-FYQPLNBISA-N 2 1 355.482 0.859 20 30 FCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047538966 1218160869 /nfs/dbraw/zinc/16/08/69/1218160869.db2.gz BSBKYBZCLRLWBA-FYQPLNBISA-N 2 1 355.482 0.859 20 30 FCEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047538966 1218160872 /nfs/dbraw/zinc/16/08/72/1218160872.db2.gz BSBKYBZCLRLWBA-FYQPLNBISA-N 2 1 355.482 0.859 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)CC1 ZINC001096605308 1218574460 /nfs/dbraw/zinc/57/44/60/1218574460.db2.gz IRQAAYQVPXODBR-QYZOEREBSA-N 2 1 355.486 0.950 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)CC1 ZINC001096607838 1218576527 /nfs/dbraw/zinc/57/65/27/1218576527.db2.gz KAUYFDFLDSEDBH-SQNIBIBYSA-N 2 1 358.486 0.285 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@@H]1n1ccnn1 ZINC001070196767 1219287817 /nfs/dbraw/zinc/28/78/17/1219287817.db2.gz KORCBVRPEHVKBX-XHSDSOJGSA-N 2 1 355.446 0.663 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@@H]1n1ccnn1 ZINC001070309074 1219366607 /nfs/dbraw/zinc/36/66/07/1219366607.db2.gz QKUJGPJJMWSEJZ-SQNIBIBYSA-N 2 1 358.490 0.907 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070333627 1219383108 /nfs/dbraw/zinc/38/31/08/1219383108.db2.gz KTYJVHVLCMQXFF-FGTMMUONSA-N 2 1 352.442 0.556 20 30 FCEDMP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001070367092 1219398986 /nfs/dbraw/zinc/39/89/86/1219398986.db2.gz DNNOXEPWJIDQBO-AOIWGVFYSA-N 2 1 360.502 0.579 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070381588 1219406758 /nfs/dbraw/zinc/40/67/58/1219406758.db2.gz JOZHPWMMZIJLGM-VPWXQRGCSA-N 2 1 362.518 0.990 20 30 FCEDMP CC#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412536 1219409824 /nfs/dbraw/zinc/40/98/24/1219409824.db2.gz CANIVSHXHYBKLY-HLLBOEOZSA-N 2 1 359.474 0.558 20 30 FCEDMP CC#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412536 1219409828 /nfs/dbraw/zinc/40/98/28/1219409828.db2.gz CANIVSHXHYBKLY-HLLBOEOZSA-N 2 1 359.474 0.558 20 30 FCEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070412536 1219409830 /nfs/dbraw/zinc/40/98/30/1219409830.db2.gz CANIVSHXHYBKLY-HLLBOEOZSA-N 2 1 359.474 0.558 20 30 FCEDMP CC#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070412536 1219409834 /nfs/dbraw/zinc/40/98/34/1219409834.db2.gz CANIVSHXHYBKLY-HLLBOEOZSA-N 2 1 359.474 0.558 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cn(C)cn1 ZINC001070539853 1219459337 /nfs/dbraw/zinc/45/93/37/1219459337.db2.gz OAGXBAOVPDLQLX-DOTOQJQBSA-N 2 1 354.458 0.957 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H](CC)C(N)=O)C3)CC1 ZINC001099174427 1219940815 /nfs/dbraw/zinc/94/08/15/1219940815.db2.gz LOGJHVJQJWTZHZ-QKLQHJQFSA-N 2 1 360.502 0.566 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101343036 1220295337 /nfs/dbraw/zinc/29/53/37/1220295337.db2.gz ZSNVYBAIBUPQHX-MDZRGWNJSA-N 2 1 362.518 0.799 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101436892 1220344450 /nfs/dbraw/zinc/34/44/50/1220344450.db2.gz QKZDVAVCWKCTMQ-HLIPFELVSA-N 2 1 362.518 0.637 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461752 1220360230 /nfs/dbraw/zinc/36/02/30/1220360230.db2.gz RQAKAFSMTRRVRT-GMBSWORKSA-N 2 1 357.458 0.110 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461752 1220360233 /nfs/dbraw/zinc/36/02/33/1220360233.db2.gz RQAKAFSMTRRVRT-GMBSWORKSA-N 2 1 357.458 0.110 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C[C@H](O)COC)C[C@@]3(C)C2)CC1 ZINC001101473088 1220365550 /nfs/dbraw/zinc/36/55/50/1220365550.db2.gz FNRACRKYFBODSG-HBFSDRIKSA-N 2 1 363.502 0.119 20 30 FCEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102045039 1220476261 /nfs/dbraw/zinc/47/62/61/1220476261.db2.gz PHRKRMKAKLCHRD-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102045039 1220476262 /nfs/dbraw/zinc/47/62/62/1220476262.db2.gz PHRKRMKAKLCHRD-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102045039 1220476265 /nfs/dbraw/zinc/47/62/65/1220476265.db2.gz PHRKRMKAKLCHRD-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102056025 1220480200 /nfs/dbraw/zinc/48/02/00/1220480200.db2.gz JTFFZKDWCIZTAX-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102056025 1220480204 /nfs/dbraw/zinc/48/02/04/1220480204.db2.gz JTFFZKDWCIZTAX-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102056025 1220480206 /nfs/dbraw/zinc/48/02/06/1220480206.db2.gz JTFFZKDWCIZTAX-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCNC(=O)C2CC2)C[C@H]1C ZINC001102056025 1220480209 /nfs/dbraw/zinc/48/02/09/1220480209.db2.gz JTFFZKDWCIZTAX-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102112763 1220503282 /nfs/dbraw/zinc/50/32/82/1220503282.db2.gz FPUHPWGAIOTOHP-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102112763 1220503285 /nfs/dbraw/zinc/50/32/85/1220503285.db2.gz FPUHPWGAIOTOHP-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102112763 1220503291 /nfs/dbraw/zinc/50/32/91/1220503291.db2.gz FPUHPWGAIOTOHP-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102370257 1220596004 /nfs/dbraw/zinc/59/60/04/1220596004.db2.gz VMXYBVBEFHIGPW-DJIMGWMZSA-N 2 1 371.485 0.187 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102370257 1220596010 /nfs/dbraw/zinc/59/60/10/1220596010.db2.gz VMXYBVBEFHIGPW-DJIMGWMZSA-N 2 1 371.485 0.187 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434129 1220623959 /nfs/dbraw/zinc/62/39/59/1220623959.db2.gz PSOFUPTVHPSDIH-SOLBZPMBSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479840 1220647613 /nfs/dbraw/zinc/64/76/13/1220647613.db2.gz KXBVABPSZGNOEO-FGTMMUONSA-N 2 1 362.518 0.540 20 30 FCEDMP CC[NH+](CC)C[C@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103050061 1220823906 /nfs/dbraw/zinc/82/39/06/1220823906.db2.gz QQEQEPKPUXXABQ-OAGGEKHMSA-N 2 1 369.485 0.380 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185621 1220847887 /nfs/dbraw/zinc/84/78/87/1220847887.db2.gz HLXGQUIZGMPGMH-IAGOWNOFSA-N 2 1 360.502 0.438 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234643 1220854517 /nfs/dbraw/zinc/85/45/17/1220854517.db2.gz ZKKKVXVVYHOKHX-HYVNUMGLSA-N 2 1 361.490 0.956 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234643 1220854520 /nfs/dbraw/zinc/85/45/20/1220854520.db2.gz ZKKKVXVVYHOKHX-HYVNUMGLSA-N 2 1 361.490 0.956 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537032 1220896966 /nfs/dbraw/zinc/89/69/66/1220896966.db2.gz OQXOACFDXQWRMU-IAGOWNOFSA-N 2 1 366.506 0.085 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537032 1220896967 /nfs/dbraw/zinc/89/69/67/1220896967.db2.gz OQXOACFDXQWRMU-IAGOWNOFSA-N 2 1 366.506 0.085 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724769 1220954283 /nfs/dbraw/zinc/95/42/83/1220954283.db2.gz SDMDUVJQIJSKTB-HLLBOEOZSA-N 2 1 361.490 0.956 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724769 1220954288 /nfs/dbraw/zinc/95/42/88/1220954288.db2.gz SDMDUVJQIJSKTB-HLLBOEOZSA-N 2 1 361.490 0.956 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001103751887 1220964858 /nfs/dbraw/zinc/96/48/58/1220964858.db2.gz XFFGZJDUWNAGHI-QZTJIDSGSA-N 2 1 362.518 0.686 20 30 FCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104185360 1221017544 /nfs/dbraw/zinc/01/75/44/1221017544.db2.gz DQPGYZFHOBZLFE-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111750978 1221089448 /nfs/dbraw/zinc/08/94/48/1221089448.db2.gz GRTXVCJPPIFPAF-ZWOKBUDYSA-N 2 1 358.486 0.048 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111750978 1221089451 /nfs/dbraw/zinc/08/94/51/1221089451.db2.gz GRTXVCJPPIFPAF-ZWOKBUDYSA-N 2 1 358.486 0.048 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111861094 1221140571 /nfs/dbraw/zinc/14/05/71/1221140571.db2.gz TXRVBZPIAWUDFD-SYNHAJSKSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891044 1221153347 /nfs/dbraw/zinc/15/33/47/1221153347.db2.gz FQDBEJYVFYWIHO-PXNSSMCTSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C2 ZINC001112360929 1221245627 /nfs/dbraw/zinc/24/56/27/1221245627.db2.gz SKYXJYKVBQGVSY-UGNRZPKXSA-N 2 1 374.529 0.684 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401369 1221252507 /nfs/dbraw/zinc/25/25/07/1221252507.db2.gz AFIDUDCKHSLMOV-JXFKEZNVSA-N 2 1 362.518 0.991 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC)C1 ZINC001112404146 1221253347 /nfs/dbraw/zinc/25/33/47/1221253347.db2.gz JIGXLPYEVZODRB-ZWOKBUDYSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC)C1 ZINC001112404146 1221253348 /nfs/dbraw/zinc/25/33/48/1221253348.db2.gz JIGXLPYEVZODRB-ZWOKBUDYSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000839369632 1222734480 /nfs/dbraw/zinc/73/44/80/1222734480.db2.gz IYACOSLVENMYON-ZWKOTPCHSA-N 2 1 362.518 0.874 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NCC#N)CC[N@@H+]1C ZINC001157973771 1223085633 /nfs/dbraw/zinc/08/56/33/1223085633.db2.gz OAPUAYQNJGCUKU-IXDOHACOSA-N 2 1 363.506 0.669 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC001157973771 1223085635 /nfs/dbraw/zinc/08/56/35/1223085635.db2.gz OAPUAYQNJGCUKU-IXDOHACOSA-N 2 1 363.506 0.669 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001157973771 1223085638 /nfs/dbraw/zinc/08/56/38/1223085638.db2.gz OAPUAYQNJGCUKU-IXDOHACOSA-N 2 1 363.506 0.669 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001157973771 1223085641 /nfs/dbraw/zinc/08/56/41/1223085641.db2.gz OAPUAYQNJGCUKU-IXDOHACOSA-N 2 1 363.506 0.669 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCCC2=CCN(CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001160169063 1223146961 /nfs/dbraw/zinc/14/69/61/1223146961.db2.gz IAQJTGASJOZYTN-DLBZAZTESA-N 2 1 361.490 0.495 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CC(=O)NCC#N)CC2)CC[N@@H+]1C ZINC001160169063 1223146966 /nfs/dbraw/zinc/14/69/66/1223146966.db2.gz IAQJTGASJOZYTN-DLBZAZTESA-N 2 1 361.490 0.495 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[NH+](CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001160169063 1223146971 /nfs/dbraw/zinc/14/69/71/1223146971.db2.gz IAQJTGASJOZYTN-DLBZAZTESA-N 2 1 361.490 0.495 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@H+](CC(=O)NCC#N)CC2)CC[NH+]1C ZINC001160169063 1223146974 /nfs/dbraw/zinc/14/69/74/1223146974.db2.gz IAQJTGASJOZYTN-DLBZAZTESA-N 2 1 361.490 0.495 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCCC2=CC[N@@H+](CC(=O)NCC#N)CC2)CC[NH+]1C ZINC001160169063 1223146977 /nfs/dbraw/zinc/14/69/77/1223146977.db2.gz IAQJTGASJOZYTN-DLBZAZTESA-N 2 1 361.490 0.495 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518666 1223330174 /nfs/dbraw/zinc/33/01/74/1223330174.db2.gz GLOVYBNIUIJRJJ-BFYDXBDKSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518666 1223330177 /nfs/dbraw/zinc/33/01/77/1223330177.db2.gz GLOVYBNIUIJRJJ-BFYDXBDKSA-N 2 1 366.506 0.224 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784613 1223479271 /nfs/dbraw/zinc/47/92/71/1223479271.db2.gz PNHSFEVRNORZBW-SOLBZPMBSA-N 2 1 371.485 0.482 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784613 1223479274 /nfs/dbraw/zinc/47/92/74/1223479274.db2.gz PNHSFEVRNORZBW-SOLBZPMBSA-N 2 1 371.485 0.482 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209649568 1223637553 /nfs/dbraw/zinc/63/75/53/1223637553.db2.gz RIZYAJIVNILAPD-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209649568 1223637555 /nfs/dbraw/zinc/63/75/55/1223637555.db2.gz RIZYAJIVNILAPD-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210049724 1223663387 /nfs/dbraw/zinc/66/33/87/1223663387.db2.gz DVKCCCODLMMNFD-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210049724 1223663391 /nfs/dbraw/zinc/66/33/91/1223663391.db2.gz DVKCCCODLMMNFD-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210049724 1223663393 /nfs/dbraw/zinc/66/33/93/1223663393.db2.gz DVKCCCODLMMNFD-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210049724 1223663397 /nfs/dbraw/zinc/66/33/97/1223663397.db2.gz DVKCCCODLMMNFD-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210049724 1223663398 /nfs/dbraw/zinc/66/33/98/1223663398.db2.gz DVKCCCODLMMNFD-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292866 1223732991 /nfs/dbraw/zinc/73/29/91/1223732991.db2.gz SZJKEHPSYFTOJG-JTDSTZFVSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292866 1223732993 /nfs/dbraw/zinc/73/29/93/1223732993.db2.gz SZJKEHPSYFTOJG-JTDSTZFVSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C(C)C)C[C@H]2C)CC1 ZINC001211307336 1223733920 /nfs/dbraw/zinc/73/39/20/1223733920.db2.gz UFNKZSGKQTXNEV-SJLPKXTDSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C(C)C)C[C@H]2C)CC1 ZINC001211307336 1223733923 /nfs/dbraw/zinc/73/39/23/1223733923.db2.gz UFNKZSGKQTXNEV-SJLPKXTDSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211350075 1223736247 /nfs/dbraw/zinc/73/62/47/1223736247.db2.gz OJPSBRXIALFYOU-GPMSIDNRSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211350075 1223736249 /nfs/dbraw/zinc/73/62/49/1223736249.db2.gz OJPSBRXIALFYOU-GPMSIDNRSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001214880372 1223951287 /nfs/dbraw/zinc/95/12/87/1223951287.db2.gz FNLWYGBLEFVGOB-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)CC2CC2)C1 ZINC001214880372 1223951289 /nfs/dbraw/zinc/95/12/89/1223951289.db2.gz FNLWYGBLEFVGOB-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384079 1224048170 /nfs/dbraw/zinc/04/81/70/1224048170.db2.gz XDJZOMSODVRGTF-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C1 ZINC000923575295 1245730268 /nfs/dbraw/zinc/73/02/68/1245730268.db2.gz MTQFJONHCLHJSM-FGTMMUONSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000923575295 1245730276 /nfs/dbraw/zinc/73/02/76/1245730276.db2.gz MTQFJONHCLHJSM-FGTMMUONSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)C1 ZINC000923575295 1245730283 /nfs/dbraw/zinc/73/02/83/1245730283.db2.gz MTQFJONHCLHJSM-FGTMMUONSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)C1 ZINC000923575295 1245730289 /nfs/dbraw/zinc/73/02/89/1245730289.db2.gz MTQFJONHCLHJSM-FGTMMUONSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CCCC(=O)N[C@@H]2CCC[N@H+](CC#C)C2)C1 ZINC000923579036 1245731000 /nfs/dbraw/zinc/73/10/00/1245731000.db2.gz MAWMNSCJHWJVBT-RTBURBONSA-N 2 1 372.513 0.584 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)CCCC(=O)N[C@@H]2CCC[N@@H+](CC#C)C2)C1 ZINC000923579036 1245731008 /nfs/dbraw/zinc/73/10/08/1245731008.db2.gz MAWMNSCJHWJVBT-RTBURBONSA-N 2 1 372.513 0.584 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000994201403 1250279644 /nfs/dbraw/zinc/27/96/44/1250279644.db2.gz GAAFQIMHVJVIHG-ZJPYXAASSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2C)C[C@H]1C ZINC000994201403 1250279656 /nfs/dbraw/zinc/27/96/56/1250279656.db2.gz GAAFQIMHVJVIHG-ZJPYXAASSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C ZINC000994201403 1250279667 /nfs/dbraw/zinc/27/96/67/1250279667.db2.gz GAAFQIMHVJVIHG-ZJPYXAASSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC000994201403 1250279678 /nfs/dbraw/zinc/27/96/78/1250279678.db2.gz GAAFQIMHVJVIHG-ZJPYXAASSA-N 2 1 360.502 0.389 20 30 FCEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993745 1252264579 /nfs/dbraw/zinc/26/45/79/1252264579.db2.gz VATINUDVVBEOAR-DJIMGWMZSA-N 2 1 362.478 0.436 20 30 FCEDMP C=C(C)C[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993745 1252264588 /nfs/dbraw/zinc/26/45/88/1252264588.db2.gz VATINUDVVBEOAR-DJIMGWMZSA-N 2 1 362.478 0.436 20 30 FCEDMP C=C(C)C[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993745 1252264595 /nfs/dbraw/zinc/26/45/95/1252264595.db2.gz VATINUDVVBEOAR-DJIMGWMZSA-N 2 1 362.478 0.436 20 30 FCEDMP C=C(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993745 1252264605 /nfs/dbraw/zinc/26/46/05/1252264605.db2.gz VATINUDVVBEOAR-DJIMGWMZSA-N 2 1 362.478 0.436 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CC1 ZINC001002802775 1252682590 /nfs/dbraw/zinc/68/25/90/1252682590.db2.gz LRTFSDQRLVQFDH-MKXGPGLRSA-N 2 1 372.513 0.531 20 30 FCEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001078174501 1255288973 /nfs/dbraw/zinc/28/89/73/1255288973.db2.gz NHUWIMHZRSBMNV-CGTJXYLNSA-N 2 1 358.442 0.202 20 30 FCEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001078174501 1255288975 /nfs/dbraw/zinc/28/89/75/1255288975.db2.gz NHUWIMHZRSBMNV-CGTJXYLNSA-N 2 1 358.442 0.202 20 30 FCEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001078174501 1255288981 /nfs/dbraw/zinc/28/89/81/1255288981.db2.gz NHUWIMHZRSBMNV-CGTJXYLNSA-N 2 1 358.442 0.202 20 30 FCEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)C1 ZINC001078174501 1255288983 /nfs/dbraw/zinc/28/89/83/1255288983.db2.gz NHUWIMHZRSBMNV-CGTJXYLNSA-N 2 1 358.442 0.202 20 30 FCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274067 1255498516 /nfs/dbraw/zinc/49/85/16/1255498516.db2.gz FGYDOFPXGFYCBP-RCCFBDPRSA-N 2 1 361.486 0.280 20 30 FCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274067 1255498522 /nfs/dbraw/zinc/49/85/22/1255498522.db2.gz FGYDOFPXGFYCBP-RCCFBDPRSA-N 2 1 361.486 0.280 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001080037642 1255720090 /nfs/dbraw/zinc/72/00/90/1255720090.db2.gz PRWXTFVCOAJVJZ-BRWVUGGUSA-N 2 1 360.502 0.838 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001080037642 1255720096 /nfs/dbraw/zinc/72/00/96/1255720096.db2.gz PRWXTFVCOAJVJZ-BRWVUGGUSA-N 2 1 360.502 0.838 20 30 FCEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328112 1256669826 /nfs/dbraw/zinc/66/98/26/1256669826.db2.gz DRQSITANGFDBLV-QZTJIDSGSA-N 2 1 354.454 0.969 20 30 FCEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328112 1256669836 /nfs/dbraw/zinc/66/98/36/1256669836.db2.gz DRQSITANGFDBLV-QZTJIDSGSA-N 2 1 354.454 0.969 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001082567823 1256873182 /nfs/dbraw/zinc/87/31/82/1256873182.db2.gz DNHOLLWWAVGLMH-LZQZEXGQSA-N 2 1 368.481 0.820 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1 ZINC001082567823 1256873190 /nfs/dbraw/zinc/87/31/90/1256873190.db2.gz DNHOLLWWAVGLMH-LZQZEXGQSA-N 2 1 368.481 0.820 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCc4ccnn4C)C[C@H]32)CC1 ZINC001084851378 1258399846 /nfs/dbraw/zinc/39/98/46/1258399846.db2.gz ZRBPATNMXFETSP-UYAOXDASSA-N 2 1 369.513 0.841 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)C[C@@H]32)C1=O ZINC001084990224 1258502181 /nfs/dbraw/zinc/50/21/81/1258502181.db2.gz IMOKXJDAJDSRLP-KSZLIROESA-N 2 1 371.485 0.901 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)C[C@@H]32)C1=O ZINC001084990224 1258502188 /nfs/dbraw/zinc/50/21/88/1258502188.db2.gz IMOKXJDAJDSRLP-KSZLIROESA-N 2 1 371.485 0.901 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](Cc4cnnn4C)[C@H]3C2)CC1 ZINC001085100645 1258593421 /nfs/dbraw/zinc/59/34/21/1258593421.db2.gz SOBFJRUCWQMEDU-APWZRJJASA-N 2 1 370.501 0.583 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](Cc4cnnn4C)[C@H]3C2)CC1 ZINC001085100645 1258593429 /nfs/dbraw/zinc/59/34/29/1258593429.db2.gz SOBFJRUCWQMEDU-APWZRJJASA-N 2 1 370.501 0.583 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4cnnn4C)CC[C@@H]3C2)CC1 ZINC001088211884 1258733842 /nfs/dbraw/zinc/73/38/42/1258733842.db2.gz DUOCUDHJUMALKW-MSOLQXFVSA-N 2 1 370.501 0.441 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](Cc4cnnn4C)CC[C@@H]3C2)CC1 ZINC001088211884 1258733848 /nfs/dbraw/zinc/73/38/48/1258733848.db2.gz DUOCUDHJUMALKW-MSOLQXFVSA-N 2 1 370.501 0.441 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667088 1258936832 /nfs/dbraw/zinc/93/68/32/1258936832.db2.gz HMLUIQIANSBHMW-DJIMGWMZSA-N 2 1 371.485 0.187 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765344 1258957129 /nfs/dbraw/zinc/95/71/29/1258957129.db2.gz XXKILCWTZMOGEM-NVXWUHKLSA-N 2 1 361.490 0.958 20 30 FCEDMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106775676 1258961411 /nfs/dbraw/zinc/96/14/11/1258961411.db2.gz XSZMUFNDAWPABS-IAGOWNOFSA-N 2 1 365.522 0.822 20 30 FCEDMP C[NH+](C)CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107613928 1259133512 /nfs/dbraw/zinc/13/35/12/1259133512.db2.gz GMPBHEVDVXYEMO-VQIMIIECSA-N 2 1 363.506 0.719 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC2([NH+](C)C)CCCC2)[C@@H](n2ccnn2)C1 ZINC001129127922 1259322597 /nfs/dbraw/zinc/32/25/97/1259322597.db2.gz NPBWZUUGFFDVCL-SJORKVTESA-N 2 1 358.490 0.907 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2 ZINC001253181463 1259825512 /nfs/dbraw/zinc/82/55/12/1259825512.db2.gz FLAGZKOTDTUFTE-UYAOXDASSA-N 2 1 366.550 0.872 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2 ZINC001253181463 1259825515 /nfs/dbraw/zinc/82/55/15/1259825515.db2.gz FLAGZKOTDTUFTE-UYAOXDASSA-N 2 1 366.550 0.872 20 30 FCEDMP C=C(CC[NH+](C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303492156 1263100354 /nfs/dbraw/zinc/10/03/54/1263100354.db2.gz LPLVNALPMNSJIX-LJQANCHMSA-N 2 1 372.513 0.996 20 30 FCEDMP C[NH2+]CCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCOC)CC1 ZINC001578721878 1276195159 /nfs/dbraw/zinc/19/51/59/1276195159.db2.gz WFXXJDKZMQHZDQ-UHFFFAOYSA-N 2 1 369.473 0.805 20 30 FCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)C2 ZINC001580041637 1277997524 /nfs/dbraw/zinc/99/75/24/1277997524.db2.gz FYLCEZYZVZGOPH-IJSAUFJJSA-N 2 1 359.474 0.066 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001688876410 1294542504 /nfs/dbraw/zinc/54/25/04/1294542504.db2.gz ULWOPKRRCKEKMU-JFIYKMOQSA-N 2 1 362.518 0.540 20 30 FCEDMP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C[NH2+]CC#CCOC ZINC001689065792 1294590205 /nfs/dbraw/zinc/59/02/05/1294590205.db2.gz QNJIPKVVYCXKLI-FCGDIQPGSA-N 2 1 365.518 0.820 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001691688889 1294914178 /nfs/dbraw/zinc/91/41/78/1294914178.db2.gz LWCGHZVORWJDJG-WBVHZDCISA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001691688889 1294914188 /nfs/dbraw/zinc/91/41/88/1294914188.db2.gz LWCGHZVORWJDJG-WBVHZDCISA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001691688889 1294914200 /nfs/dbraw/zinc/91/42/00/1294914200.db2.gz LWCGHZVORWJDJG-WBVHZDCISA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001691688889 1294914204 /nfs/dbraw/zinc/91/42/04/1294914204.db2.gz LWCGHZVORWJDJG-WBVHZDCISA-N 2 1 363.506 0.812 20 30 FCEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001071064916 837722772 /nfs/dbraw/zinc/72/27/72/837722772.db2.gz BDGJWSQNPSLZGY-DDBAPUKQSA-N 2 1 351.491 0.877 20 30 FCEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001071064916 837722774 /nfs/dbraw/zinc/72/27/74/837722774.db2.gz BDGJWSQNPSLZGY-DDBAPUKQSA-N 2 1 351.491 0.877 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102356440 844473564 /nfs/dbraw/zinc/47/35/64/844473564.db2.gz KIXYPQZKSSAMBW-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](CC)OC)C[C@H]2OC)CC1 ZINC001082384363 840375663 /nfs/dbraw/zinc/37/56/63/840375663.db2.gz RHXSLVLCJIMOTQ-KZNAEPCWSA-N 2 1 351.491 0.572 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520387 844548866 /nfs/dbraw/zinc/54/88/66/844548866.db2.gz IKDNPVJDSLLJLK-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001084090426 841697745 /nfs/dbraw/zinc/69/77/45/841697745.db2.gz ZDSCVDANYCKYLQ-SJORKVTESA-N 2 1 362.499 0.192 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@@H]2O)CC1 ZINC001084090426 841697751 /nfs/dbraw/zinc/69/77/51/841697751.db2.gz ZDSCVDANYCKYLQ-SJORKVTESA-N 2 1 362.499 0.192 20 30 FCEDMP CC(C)[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](C)C ZINC001103111750 844702396 /nfs/dbraw/zinc/70/23/96/844702396.db2.gz MTTMBMBMUIHIGO-INMHGKMJSA-N 2 1 351.495 0.287 20 30 FCEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC#CCOC)C[C@H]2C)C1 ZINC001103740712 844813300 /nfs/dbraw/zinc/81/33/00/844813300.db2.gz ROFVQAMXGKVAAV-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP CC[N@H+]1CCO[C@H](C(=O)NCC[C@@H]2C[NH+](CC#CCOC)C[C@H]2C)C1 ZINC001103740712 844813310 /nfs/dbraw/zinc/81/33/10/844813310.db2.gz ROFVQAMXGKVAAV-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@H+](CC#CCOC)C[C@H]2C)C1 ZINC001103740712 844813314 /nfs/dbraw/zinc/81/33/14/844813314.db2.gz ROFVQAMXGKVAAV-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP CC[NH+]1CCO[C@H](C(=O)NCC[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2C)C1 ZINC001103740712 844813321 /nfs/dbraw/zinc/81/33/21/844813321.db2.gz ROFVQAMXGKVAAV-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001104676241 844931730 /nfs/dbraw/zinc/93/17/30/844931730.db2.gz AYYXATKGEDBEIL-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)C1 ZINC001105042169 844974090 /nfs/dbraw/zinc/97/40/90/844974090.db2.gz QRTUHQSODROTQM-KZNAEPCWSA-N 2 1 351.491 0.431 20 30 FCEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)C1 ZINC001105042169 844974096 /nfs/dbraw/zinc/97/40/96/844974096.db2.gz QRTUHQSODROTQM-KZNAEPCWSA-N 2 1 351.491 0.431 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211018 845135606 /nfs/dbraw/zinc/13/56/06/845135606.db2.gz NGEJRHOUUKZCOL-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255688 845144609 /nfs/dbraw/zinc/14/46/09/845144609.db2.gz FBGWDIQDEXUDET-BZUAXINKSA-N 2 1 350.507 0.846 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609536 845408040 /nfs/dbraw/zinc/40/80/40/845408040.db2.gz WIMGHHBVUDOTAG-IEBWSBKVSA-N 2 1 351.491 0.575 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111949958 846271753 /nfs/dbraw/zinc/27/17/53/846271753.db2.gz XWJXWNGPOWLSQV-BXWFABGCSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111949958 846271765 /nfs/dbraw/zinc/27/17/65/846271765.db2.gz XWJXWNGPOWLSQV-BXWFABGCSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111949958 846271777 /nfs/dbraw/zinc/27/17/77/846271777.db2.gz XWJXWNGPOWLSQV-BXWFABGCSA-N 2 1 350.507 0.990 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198100 846454947 /nfs/dbraw/zinc/45/49/47/846454947.db2.gz ANUKHWBHCRDARE-CHWSQXEVSA-N 2 1 362.396 0.057 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198100 846454953 /nfs/dbraw/zinc/45/49/53/846454953.db2.gz ANUKHWBHCRDARE-CHWSQXEVSA-N 2 1 362.396 0.057 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C(F)(F)F ZINC001112206133 846463111 /nfs/dbraw/zinc/46/31/11/846463111.db2.gz IUGHBDZIONUJGH-CHWSQXEVSA-N 2 1 362.396 0.363 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212010 846468668 /nfs/dbraw/zinc/46/86/68/846468668.db2.gz ILLYDBDZDPHQGQ-CHWSQXEVSA-N 2 1 362.396 0.055 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212010 846468675 /nfs/dbraw/zinc/46/86/75/846468675.db2.gz ILLYDBDZDPHQGQ-CHWSQXEVSA-N 2 1 362.396 0.055 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184369 848963905 /nfs/dbraw/zinc/96/39/05/848963905.db2.gz NJQSTHRCZQWMDA-BZUAXINKSA-N 2 1 354.495 0.224 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184369 848963910 /nfs/dbraw/zinc/96/39/10/848963910.db2.gz NJQSTHRCZQWMDA-BZUAXINKSA-N 2 1 354.495 0.224 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130802464 849045896 /nfs/dbraw/zinc/04/58/96/849045896.db2.gz VNVMKVWATBZMOK-UONOGXRCSA-N 2 1 350.467 0.758 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313025 849094062 /nfs/dbraw/zinc/09/40/62/849094062.db2.gz FHZPJZNSKNAIJC-XHSDSOJGSA-N 2 1 350.463 0.620 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001178522265 850905074 /nfs/dbraw/zinc/90/50/74/850905074.db2.gz KACHFELOQCJJGW-JKSUJKDBSA-N 2 1 351.495 0.623 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001200651671 853506955 /nfs/dbraw/zinc/50/69/55/853506955.db2.gz GQVOAPRYBTXFNB-BHYGNILZSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205340383 853605057 /nfs/dbraw/zinc/60/50/57/853605057.db2.gz YDSHFZFLTAFVQP-BFYDXBDKSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001207541187 853822563 /nfs/dbraw/zinc/82/25/63/853822563.db2.gz XUAGAOYAWZRSMP-BRWVUGGUSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001207541187 853822566 /nfs/dbraw/zinc/82/25/66/853822566.db2.gz XUAGAOYAWZRSMP-BRWVUGGUSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541187 853822569 /nfs/dbraw/zinc/82/25/69/853822569.db2.gz XUAGAOYAWZRSMP-BRWVUGGUSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001207541187 853822572 /nfs/dbraw/zinc/82/25/72/853822572.db2.gz XUAGAOYAWZRSMP-BRWVUGGUSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCOCCN1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217860678 855378399 /nfs/dbraw/zinc/37/83/99/855378399.db2.gz GYVBUCMGFMDDTO-FGTMMUONSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001217860678 855378401 /nfs/dbraw/zinc/37/84/01/855378401.db2.gz GYVBUCMGFMDDTO-FGTMMUONSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860678 855378405 /nfs/dbraw/zinc/37/84/05/855378405.db2.gz GYVBUCMGFMDDTO-FGTMMUONSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860678 855378408 /nfs/dbraw/zinc/37/84/08/855378408.db2.gz GYVBUCMGFMDDTO-FGTMMUONSA-N 2 1 351.491 0.973 20 30 FCEDMP C[N@H+]1CC[C@@H](CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@H](S)C[NH2+]3)c2)C1 ZINC001221254858 856531239 /nfs/dbraw/zinc/53/12/39/856531239.db2.gz XMEPORDLMHGDFA-RCBQFDQVSA-N 2 1 362.499 0.967 20 30 FCEDMP C=C[C@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001253582994 857895615 /nfs/dbraw/zinc/89/56/15/857895615.db2.gz XENDYWPHEUOJOO-SFHVURJKSA-N 2 1 351.491 0.569 20 30 FCEDMP C[NH+](C)CCOc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264065524 229321321 /nfs/dbraw/zinc/32/13/21/229321321.db2.gz AYAFVAVCGWSSCH-UHFFFAOYSA-N 3 1 363.506 0.754 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1CCc2sccc2C1 ZINC000264127229 229322589 /nfs/dbraw/zinc/32/25/89/229322589.db2.gz WWKJNVCEZGTGSJ-UHFFFAOYSA-N 2 1 351.520 0.733 20 30 FCEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC([C@H](O)C(=O)NC3CC3)CC2)CC1 ZINC000328673035 488929437 /nfs/dbraw/zinc/92/94/37/488929437.db2.gz IRDGMAVAVHJYPJ-KRWDZBQOSA-N 2 1 352.479 0.342 20 30 FCEDMP C[NH+](C)CCOc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccn1 ZINC000270548825 488516680 /nfs/dbraw/zinc/51/66/80/488516680.db2.gz FQLLICJPSWLNRA-UHFFFAOYSA-N 3 1 364.494 0.149 20 30 FCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000264790552 488712452 /nfs/dbraw/zinc/71/24/52/488712452.db2.gz RHPQSHIWQXADMT-IBGZPJMESA-N 2 1 372.517 0.877 20 30 FCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2C[C@@H]3[C@H](C2)OCCN3C)C1 ZINC000329974926 489056688 /nfs/dbraw/zinc/05/66/88/489056688.db2.gz XTWMVBGNOUUPIH-ZACQAIPSSA-N 2 1 354.495 0.315 20 30 FCEDMP CC(C)CN1CCO[C@H](CNC(=O)CN2C[C@@H]3[C@H](C2)OCCN3C)C1 ZINC000329974926 489056691 /nfs/dbraw/zinc/05/66/91/489056691.db2.gz XTWMVBGNOUUPIH-ZACQAIPSSA-N 2 1 354.495 0.315 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000330197899 489079313 /nfs/dbraw/zinc/07/93/13/489079313.db2.gz SLFUEGYFIWKSDA-HNNXBMFYSA-N 2 1 367.494 0.605 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000293241061 489182362 /nfs/dbraw/zinc/18/23/62/489182362.db2.gz CUWYVQNKAGZZIL-UHFFFAOYSA-N 2 1 372.469 0.529 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000296368829 489197752 /nfs/dbraw/zinc/19/77/52/489197752.db2.gz OJTNUHNYQLGNFA-UHFFFAOYSA-N 3 1 372.517 0.848 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000296368829 489197753 /nfs/dbraw/zinc/19/77/53/489197753.db2.gz OJTNUHNYQLGNFA-UHFFFAOYSA-N 2 1 372.517 0.848 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000296368829 489197754 /nfs/dbraw/zinc/19/77/54/489197754.db2.gz OJTNUHNYQLGNFA-UHFFFAOYSA-N 2 1 372.517 0.848 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333423143 489261377 /nfs/dbraw/zinc/26/13/77/489261377.db2.gz SVPCZHWEGRICOM-KRWDZBQOSA-N 2 1 363.506 0.633 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000521604322 490280858 /nfs/dbraw/zinc/28/08/58/490280858.db2.gz WRGWHXVXGRQOED-KRWDZBQOSA-N 2 1 365.522 0.879 20 30 FCEDMP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000423034859 490525498 /nfs/dbraw/zinc/52/54/98/490525498.db2.gz IPDRIQSODFGCBN-UHFFFAOYSA-N 2 1 357.458 0.270 20 30 FCEDMP C[NH2+]CCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000423034859 490525503 /nfs/dbraw/zinc/52/55/03/490525503.db2.gz IPDRIQSODFGCBN-UHFFFAOYSA-N 2 1 357.458 0.270 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000529375297 490857919 /nfs/dbraw/zinc/85/79/19/490857919.db2.gz PQJNOJQXMKWFAX-GOSISDBHSA-N 2 1 357.458 0.764 20 30 FCEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C#N)CC1 ZINC000530232313 490894760 /nfs/dbraw/zinc/89/47/60/490894760.db2.gz XXMXWFWTTMJDLX-GOSISDBHSA-N 2 1 374.485 0.830 20 30 FCEDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C2 ZINC000530235901 490894765 /nfs/dbraw/zinc/89/47/65/490894765.db2.gz LJUJGJMMQXVEDU-IAGOWNOFSA-N 2 1 370.453 0.942 20 30 FCEDMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000580823864 491747093 /nfs/dbraw/zinc/74/70/93/491747093.db2.gz DOTFNRSHLPPQCA-UHFFFAOYSA-N 2 1 371.485 0.708 20 30 FCEDMP CC[NH2+]CCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000580823864 491747095 /nfs/dbraw/zinc/74/70/95/491747095.db2.gz DOTFNRSHLPPQCA-UHFFFAOYSA-N 2 1 371.485 0.708 20 30 FCEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262791840 526378941 /nfs/dbraw/zinc/37/89/41/526378941.db2.gz OGNXSHKODMYZPN-YJBOKZPZSA-N 2 1 350.463 0.717 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409591007 529099480 /nfs/dbraw/zinc/09/94/80/529099480.db2.gz IBQDJAJNUBRPSU-HOTGVXAUSA-N 2 1 359.540 0.671 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000264077687 529100693 /nfs/dbraw/zinc/10/06/93/529100693.db2.gz HSLRWRQPVWLWLD-HNNXBMFYSA-N 2 1 367.519 0.662 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000264069095 529101307 /nfs/dbraw/zinc/10/13/07/529101307.db2.gz CPLAKLWWGQDFEV-UONOGXRCSA-N 2 1 364.446 0.544 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000594124656 546773552 /nfs/dbraw/zinc/77/35/52/546773552.db2.gz FQWYTPJTZCBHJH-MRXNPFEDSA-N 2 1 351.495 0.666 20 30 FCEDMP C[C@H]1CN(C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000303773787 674571363 /nfs/dbraw/zinc/57/13/63/674571363.db2.gz FMPPESYNNWNSDG-HOTGVXAUSA-N 2 1 355.527 0.501 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000303986888 674574199 /nfs/dbraw/zinc/57/41/99/674574199.db2.gz UXHIOTPKWSJKGA-HOTGVXAUSA-N 3 1 352.527 0.318 20 30 FCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303986888 674574201 /nfs/dbraw/zinc/57/42/01/674574201.db2.gz UXHIOTPKWSJKGA-HOTGVXAUSA-N 3 1 352.527 0.318 20 30 FCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303986888 674574203 /nfs/dbraw/zinc/57/42/03/674574203.db2.gz UXHIOTPKWSJKGA-HOTGVXAUSA-N 3 1 352.527 0.318 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccc(C)s1 ZINC000151420527 666530079 /nfs/dbraw/zinc/53/00/79/666530079.db2.gz WYPSLMFUAZOGOR-CYBMUJFWSA-N 2 1 373.548 0.723 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000836348959 670046095 /nfs/dbraw/zinc/04/60/95/670046095.db2.gz HYPHMRHLPMCQRJ-MRXNPFEDSA-N 2 1 351.495 0.183 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000836348959 670046099 /nfs/dbraw/zinc/04/60/99/670046099.db2.gz HYPHMRHLPMCQRJ-MRXNPFEDSA-N 2 1 351.495 0.183 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000836348959 670046102 /nfs/dbraw/zinc/04/61/02/670046102.db2.gz HYPHMRHLPMCQRJ-MRXNPFEDSA-N 2 1 351.495 0.183 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529673 1186085715 /nfs/dbraw/zinc/08/57/15/1186085715.db2.gz JVUHAIYBBUUVEY-UWVAXJGDSA-N 2 1 360.502 0.438 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC000983714356 1188281562 /nfs/dbraw/zinc/28/15/62/1188281562.db2.gz QKQGXNFIXQGQQZ-NNPSNHGLSA-N 2 1 362.518 0.988 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)C1=O ZINC001088702920 1193802325 /nfs/dbraw/zinc/80/23/25/1193802325.db2.gz QQEOKBGWMIQPIF-IXDOHACOSA-N 2 1 360.502 0.981 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)C1=O ZINC001088702920 1193802327 /nfs/dbraw/zinc/80/23/27/1193802327.db2.gz QQEOKBGWMIQPIF-IXDOHACOSA-N 2 1 360.502 0.981 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001083535523 1194227171 /nfs/dbraw/zinc/22/71/71/1194227171.db2.gz VXNUFYNMOUHAQU-HKBOAZHASA-N 2 1 367.493 0.934 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2ccc3c(c2)CCC3)C[C@@H]1O ZINC001083535523 1194227176 /nfs/dbraw/zinc/22/71/76/1194227176.db2.gz VXNUFYNMOUHAQU-HKBOAZHASA-N 2 1 367.493 0.934 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)CC[N@H+](C)CC)[C@H]3C2)C1=O ZINC001218919049 1224257457 /nfs/dbraw/zinc/25/74/57/1224257457.db2.gz MUFVYWQDGBDFLN-IXDOHACOSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)C1=O ZINC001218919049 1224257464 /nfs/dbraw/zinc/25/74/64/1224257464.db2.gz MUFVYWQDGBDFLN-IXDOHACOSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)C1=O ZINC001218919049 1224257470 /nfs/dbraw/zinc/25/74/70/1224257470.db2.gz MUFVYWQDGBDFLN-IXDOHACOSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)CCC)[C@H]3C2)C1=O ZINC001219006490 1224286957 /nfs/dbraw/zinc/28/69/57/1224286957.db2.gz KXSGERIZHWRSHK-YESZJQIVSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CCC)[C@H]3C2)C1=O ZINC001219006490 1224286965 /nfs/dbraw/zinc/28/69/65/1224286965.db2.gz KXSGERIZHWRSHK-YESZJQIVSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CCC)[C@H]3C2)C1=O ZINC001219006490 1224286975 /nfs/dbraw/zinc/28/69/75/1224286975.db2.gz KXSGERIZHWRSHK-YESZJQIVSA-N 2 1 364.490 0.027 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCOCC=C)C[C@@H]32)CC1 ZINC001219050894 1224319556 /nfs/dbraw/zinc/31/95/56/1224319556.db2.gz SHNRYJRBIQKNSG-RBUKOAKNSA-N 2 1 361.486 0.446 20 30 FCEDMP Cc1c(C(=O)NCC#CC[NH+](C)C)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000913518637 1196451241 /nfs/dbraw/zinc/45/12/41/1196451241.db2.gz VTKWWIYDIDAIKG-UHFFFAOYSA-N 2 1 366.469 0.858 20 30 FCEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001106245051 1197776294 /nfs/dbraw/zinc/77/62/94/1197776294.db2.gz ZBJBCNNNSZDLPU-BRWVUGGUSA-N 2 1 363.506 0.288 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1 ZINC001106266463 1197806196 /nfs/dbraw/zinc/80/61/96/1197806196.db2.gz LAEHLIPWVVMOOS-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC(C)C)[C@H](C)C1 ZINC001106266463 1197806197 /nfs/dbraw/zinc/80/61/97/1197806197.db2.gz LAEHLIPWVVMOOS-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnnn2C)CC1 ZINC001085432511 1197899285 /nfs/dbraw/zinc/89/92/85/1197899285.db2.gz BLECYNZBPFIFSN-HZPDHXFCSA-N 2 1 359.478 0.072 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cnn(C)n2)CC1 ZINC001085432810 1197899297 /nfs/dbraw/zinc/89/92/97/1197899297.db2.gz QWVHJYYAYQTGOE-QZTJIDSGSA-N 2 1 358.490 0.677 20 30 FCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001219652352 1224545202 /nfs/dbraw/zinc/54/52/02/1224545202.db2.gz UNDFMWHHSJULAM-MSOLQXFVSA-N 2 1 363.506 0.966 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030739 1201480680 /nfs/dbraw/zinc/48/06/80/1201480680.db2.gz PDLWEXKGLKSBJX-SQNIBIBYSA-N 2 1 358.490 0.906 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140012 1201516067 /nfs/dbraw/zinc/51/60/67/1201516067.db2.gz MHXWPZHUZFFKKE-QYZOEREBSA-N 2 1 366.469 0.946 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2CC[NH+](C)CC2)n1 ZINC001130234686 1201558265 /nfs/dbraw/zinc/55/82/65/1201558265.db2.gz HXGBLVSFHQRHEH-GJZGRUSLSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001130234686 1201558267 /nfs/dbraw/zinc/55/82/67/1201558267.db2.gz HXGBLVSFHQRHEH-GJZGRUSLSA-N 2 1 362.478 0.411 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n1 ZINC001130251511 1201569768 /nfs/dbraw/zinc/56/97/68/1201569768.db2.gz YNGMSMLFQFIZAH-GJZGRUSLSA-N 2 1 362.478 0.247 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001130251511 1201569770 /nfs/dbraw/zinc/56/97/70/1201569770.db2.gz YNGMSMLFQFIZAH-GJZGRUSLSA-N 2 1 362.478 0.247 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001130251511 1201569775 /nfs/dbraw/zinc/56/97/75/1201569775.db2.gz YNGMSMLFQFIZAH-GJZGRUSLSA-N 2 1 362.478 0.247 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817763 1202808767 /nfs/dbraw/zinc/80/87/67/1202808767.db2.gz YQQHXPWPMKSAJU-SOUVJXGZSA-N 2 1 360.462 0.206 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817763 1202808768 /nfs/dbraw/zinc/80/87/68/1202808768.db2.gz YQQHXPWPMKSAJU-SOUVJXGZSA-N 2 1 360.462 0.206 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817763 1202808772 /nfs/dbraw/zinc/80/87/72/1202808772.db2.gz YQQHXPWPMKSAJU-SOUVJXGZSA-N 2 1 360.462 0.206 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cncn1C ZINC001131031083 1202846057 /nfs/dbraw/zinc/84/60/57/1202846057.db2.gz GVEHAACRLFHAOW-IAGOWNOFSA-N 2 1 370.457 0.159 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125754 1202866847 /nfs/dbraw/zinc/86/68/47/1202866847.db2.gz KOVNZIXFLZPLCL-JFIYKMOQSA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125754 1202866849 /nfs/dbraw/zinc/86/68/49/1202866849.db2.gz KOVNZIXFLZPLCL-JFIYKMOQSA-N 2 1 361.490 0.601 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1 ZINC001131515358 1202907406 /nfs/dbraw/zinc/90/74/06/1202907406.db2.gz FXXOXAIITIPDPJ-QYZOEREBSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCOC)CC1 ZINC001131515358 1202907411 /nfs/dbraw/zinc/90/74/11/1202907411.db2.gz FXXOXAIITIPDPJ-QYZOEREBSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001086721370 1203020728 /nfs/dbraw/zinc/02/07/28/1203020728.db2.gz VTKACTQTVIGXGT-KSZLIROESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC001086721370 1203020733 /nfs/dbraw/zinc/02/07/33/1203020733.db2.gz VTKACTQTVIGXGT-KSZLIROESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(=C)C)C1 ZINC001086982957 1204878302 /nfs/dbraw/zinc/87/83/02/1204878302.db2.gz NPLWLPHJBBILJM-OTWHNJEPSA-N 2 1 355.486 0.978 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC(=C)C)C1 ZINC001086982957 1204878303 /nfs/dbraw/zinc/87/83/03/1204878303.db2.gz NPLWLPHJBBILJM-OTWHNJEPSA-N 2 1 355.486 0.978 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)NCCC)CC1 ZINC001110151890 1206170341 /nfs/dbraw/zinc/17/03/41/1206170341.db2.gz CPXMUWXKTHHUMP-YSHGAJCASA-N 2 1 374.529 0.968 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)NCCC)CC1 ZINC001110151890 1206170343 /nfs/dbraw/zinc/17/03/43/1206170343.db2.gz CPXMUWXKTHHUMP-YSHGAJCASA-N 2 1 374.529 0.968 20 30 FCEDMP C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[C@@H](C)n3cc[nH+]c3CC)[C@@H]2C1 ZINC001187971248 1207405005 /nfs/dbraw/zinc/40/50/05/1207405005.db2.gz GWSSXXMNJPXEGI-IXDOHACOSA-N 2 1 371.485 0.679 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135812 1207510678 /nfs/dbraw/zinc/51/06/78/1207510678.db2.gz OSJYFIBVDKVBJM-YESZJQIVSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135812 1207510687 /nfs/dbraw/zinc/51/06/87/1207510687.db2.gz OSJYFIBVDKVBJM-YESZJQIVSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135812 1207510693 /nfs/dbraw/zinc/51/06/93/1207510693.db2.gz OSJYFIBVDKVBJM-YESZJQIVSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189135812 1207510696 /nfs/dbraw/zinc/51/06/96/1207510696.db2.gz OSJYFIBVDKVBJM-YESZJQIVSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189531006 1207569114 /nfs/dbraw/zinc/56/91/14/1207569114.db2.gz VYGCSNGEJHPYHF-FGTMMUONSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189531006 1207569115 /nfs/dbraw/zinc/56/91/15/1207569115.db2.gz VYGCSNGEJHPYHF-FGTMMUONSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCOCCOC)C[C@H]32)CC1 ZINC001190319139 1207674460 /nfs/dbraw/zinc/67/44/60/1207674460.db2.gz XFBBTFWUPDNLAT-RBUKOAKNSA-N 2 1 363.502 0.527 20 30 FCEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 ZINC001110658392 1209576232 /nfs/dbraw/zinc/57/62/32/1209576232.db2.gz URGWQDBBGRUHJA-VQHPVUNQSA-N 2 1 361.490 0.326 20 30 FCEDMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000863753208 1209949879 /nfs/dbraw/zinc/94/98/79/1209949879.db2.gz ONXQEWKDHMCBLW-OAHLLOKOSA-N 2 1 357.458 0.398 20 30 FCEDMP C[C@@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000863753208 1209949881 /nfs/dbraw/zinc/94/98/81/1209949881.db2.gz ONXQEWKDHMCBLW-OAHLLOKOSA-N 2 1 357.458 0.398 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000890371906 1210975795 /nfs/dbraw/zinc/97/57/95/1210975795.db2.gz DIJKHZLCLYJUPZ-KRWDZBQOSA-N 2 1 363.506 0.280 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000890371906 1210975798 /nfs/dbraw/zinc/97/57/98/1210975798.db2.gz DIJKHZLCLYJUPZ-KRWDZBQOSA-N 2 1 363.506 0.280 20 30 FCEDMP COc1cc(OC)c(OC)cc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303774086 1213440042 /nfs/dbraw/zinc/44/00/42/1213440042.db2.gz FTOMCVJQEBXKOW-UHFFFAOYSA-N 2 1 366.462 0.839 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001000702906 1216108784 /nfs/dbraw/zinc/10/87/84/1216108784.db2.gz YUNCLHFORNLUAR-KBAYOESNSA-N 2 1 360.502 0.862 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC001000702906 1216108788 /nfs/dbraw/zinc/10/87/88/1216108788.db2.gz YUNCLHFORNLUAR-KBAYOESNSA-N 2 1 360.502 0.862 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC001000702906 1216108790 /nfs/dbraw/zinc/10/87/90/1216108790.db2.gz YUNCLHFORNLUAR-KBAYOESNSA-N 2 1 360.502 0.862 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222789496 1225653422 /nfs/dbraw/zinc/65/34/22/1225653422.db2.gz LWUXOGQUEIFRBI-ZACQAIPSSA-N 2 1 366.481 0.339 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222789496 1225653426 /nfs/dbraw/zinc/65/34/26/1225653426.db2.gz LWUXOGQUEIFRBI-ZACQAIPSSA-N 2 1 366.481 0.339 20 30 FCEDMP C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043307 1216492501 /nfs/dbraw/zinc/49/25/01/1216492501.db2.gz UOLJJLCPGFNSMN-GUDVDZBRSA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043307 1216492507 /nfs/dbraw/zinc/49/25/07/1216492507.db2.gz UOLJJLCPGFNSMN-GUDVDZBRSA-N 2 1 364.534 0.890 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945833 1216859102 /nfs/dbraw/zinc/85/91/02/1216859102.db2.gz YIAQQDULZCVTAY-KSZLIROESA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945833 1216859106 /nfs/dbraw/zinc/85/91/06/1216859106.db2.gz YIAQQDULZCVTAY-KSZLIROESA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945833 1216859108 /nfs/dbraw/zinc/85/91/08/1216859108.db2.gz YIAQQDULZCVTAY-KSZLIROESA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945805 1216859332 /nfs/dbraw/zinc/85/93/32/1216859332.db2.gz XHTOPICVJBDFGJ-KSZLIROESA-N 2 1 358.490 0.621 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945805 1216859335 /nfs/dbraw/zinc/85/93/35/1216859335.db2.gz XHTOPICVJBDFGJ-KSZLIROESA-N 2 1 358.490 0.621 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945805 1216859336 /nfs/dbraw/zinc/85/93/36/1216859336.db2.gz XHTOPICVJBDFGJ-KSZLIROESA-N 2 1 358.490 0.621 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001225346788 1225808174 /nfs/dbraw/zinc/80/81/74/1225808174.db2.gz RRQLPRGXOCZBIR-KFWWJZLASA-N 2 1 365.478 0.109 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001111456447 1218869939 /nfs/dbraw/zinc/86/99/39/1218869939.db2.gz DGGDIODBDFWYNO-AITUJVMLSA-N 2 1 370.497 0.191 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001111456447 1218869940 /nfs/dbraw/zinc/86/99/40/1218869940.db2.gz DGGDIODBDFWYNO-AITUJVMLSA-N 2 1 370.497 0.191 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(C)C)C[C@@H]2n2ccnn2)CC1 ZINC001070102302 1219177289 /nfs/dbraw/zinc/17/72/89/1219177289.db2.gz BQYNWQVRTUOZLH-MSOLQXFVSA-N 2 1 358.490 0.621 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260554 1219330443 /nfs/dbraw/zinc/33/04/43/1219330443.db2.gz NBYIDNNSOMRBBC-IXDOHACOSA-N 2 1 362.478 0.305 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260554 1219330448 /nfs/dbraw/zinc/33/04/48/1219330448.db2.gz NBYIDNNSOMRBBC-IXDOHACOSA-N 2 1 362.478 0.305 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001070378599 1219405453 /nfs/dbraw/zinc/40/54/53/1219405453.db2.gz XSYCRDFFIGMZQE-MDYRTPRTSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070412573 1219409854 /nfs/dbraw/zinc/40/98/54/1219409854.db2.gz DTIWZQYVDUFTOK-BFYDXBDKSA-N 2 1 359.474 0.558 20 30 FCEDMP C#CCC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070412573 1219409857 /nfs/dbraw/zinc/40/98/57/1219409857.db2.gz DTIWZQYVDUFTOK-BFYDXBDKSA-N 2 1 359.474 0.558 20 30 FCEDMP C#CCC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412573 1219409861 /nfs/dbraw/zinc/40/98/61/1219409861.db2.gz DTIWZQYVDUFTOK-BFYDXBDKSA-N 2 1 359.474 0.558 20 30 FCEDMP C#CCC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412573 1219409863 /nfs/dbraw/zinc/40/98/63/1219409863.db2.gz DTIWZQYVDUFTOK-BFYDXBDKSA-N 2 1 359.474 0.558 20 30 FCEDMP C#CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070446156 1219412712 /nfs/dbraw/zinc/41/27/12/1219412712.db2.gz UVLFLGCDGYRMBW-OIISXLGYSA-N 2 1 370.501 0.704 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566221 1219472876 /nfs/dbraw/zinc/47/28/76/1219472876.db2.gz FJXOCLLPXFUAGA-CGTJXYLNSA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566221 1219472879 /nfs/dbraw/zinc/47/28/79/1219472879.db2.gz FJXOCLLPXFUAGA-CGTJXYLNSA-N 2 1 361.490 0.601 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099079443 1219903923 /nfs/dbraw/zinc/90/39/23/1219903923.db2.gz CSPOWLNBHJMYCI-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099079443 1219903927 /nfs/dbraw/zinc/90/39/27/1219903927.db2.gz CSPOWLNBHJMYCI-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079443 1219903929 /nfs/dbraw/zinc/90/39/29/1219903929.db2.gz CSPOWLNBHJMYCI-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079443 1219903932 /nfs/dbraw/zinc/90/39/32/1219903932.db2.gz CSPOWLNBHJMYCI-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn(C)nn2)C1 ZINC001099446438 1219999289 /nfs/dbraw/zinc/99/92/89/1219999289.db2.gz ATGXRQOICBTDAG-QRFRQXIXSA-N 2 1 370.501 0.631 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cn(C)nn2)C1 ZINC001099446438 1219999292 /nfs/dbraw/zinc/99/92/92/1219999292.db2.gz ATGXRQOICBTDAG-QRFRQXIXSA-N 2 1 370.501 0.631 20 30 FCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257592 1220251060 /nfs/dbraw/zinc/25/10/60/1220251060.db2.gz BUBZWYHDXCSSEU-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257592 1220251063 /nfs/dbraw/zinc/25/10/63/1220251063.db2.gz BUBZWYHDXCSSEU-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257592 1220251066 /nfs/dbraw/zinc/25/10/66/1220251066.db2.gz BUBZWYHDXCSSEU-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257592 1220251069 /nfs/dbraw/zinc/25/10/69/1220251069.db2.gz BUBZWYHDXCSSEU-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3)C[C@]2(C)C1 ZINC001101376359 1220308781 /nfs/dbraw/zinc/30/87/81/1220308781.db2.gz CQFVEVRAIVZADU-FCEWJHQRSA-N 2 1 359.474 0.917 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@]2(C)C1 ZINC001101432143 1220341227 /nfs/dbraw/zinc/34/12/27/1220341227.db2.gz DCSBNGPXEVEVMF-QRWLVFNGSA-N 2 1 371.485 0.844 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@]2(C)C1 ZINC001101474061 1220365198 /nfs/dbraw/zinc/36/51/98/1220365198.db2.gz FPPDXKJTDGXFDK-XLIONFOSSA-N 2 1 360.502 0.392 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC(C)C)C[C@H]1C ZINC001102056113 1220479911 /nfs/dbraw/zinc/47/99/11/1220479911.db2.gz OPNLOYXMSXPMQX-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC(C)C)C[C@H]1C ZINC001102056113 1220479916 /nfs/dbraw/zinc/47/99/16/1220479916.db2.gz OPNLOYXMSXPMQX-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC(C)C)C[C@H]1C ZINC001102056113 1220479919 /nfs/dbraw/zinc/47/99/19/1220479919.db2.gz OPNLOYXMSXPMQX-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC(C)C)C[C@H]1C ZINC001102056113 1220479921 /nfs/dbraw/zinc/47/99/21/1220479921.db2.gz OPNLOYXMSXPMQX-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102114832 1220502228 /nfs/dbraw/zinc/50/22/28/1220502228.db2.gz FVHPISHGKHCXBE-ZACQAIPSSA-N 2 1 363.506 0.431 20 30 FCEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102114832 1220502231 /nfs/dbraw/zinc/50/22/31/1220502231.db2.gz FVHPISHGKHCXBE-ZACQAIPSSA-N 2 1 363.506 0.431 20 30 FCEDMP CC(C)C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102114832 1220502238 /nfs/dbraw/zinc/50/22/38/1220502238.db2.gz FVHPISHGKHCXBE-ZACQAIPSSA-N 2 1 363.506 0.431 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001102122726 1220510582 /nfs/dbraw/zinc/51/05/82/1220510582.db2.gz IVJMMAFLGJCDNF-GDBMZVCRSA-N 2 1 355.442 0.934 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001102122952 1220511725 /nfs/dbraw/zinc/51/17/25/1220511725.db2.gz WFPBNKAAIAOGGU-BFYDXBDKSA-N 2 1 367.453 0.770 20 30 FCEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102262980 1220564883 /nfs/dbraw/zinc/56/48/83/1220564883.db2.gz RDWFXOBWIPYQPH-BRWVUGGUSA-N 2 1 363.506 0.432 20 30 FCEDMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102262980 1220564890 /nfs/dbraw/zinc/56/48/90/1220564890.db2.gz RDWFXOBWIPYQPH-BRWVUGGUSA-N 2 1 363.506 0.432 20 30 FCEDMP CCC[NH+]1CCC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102262980 1220564896 /nfs/dbraw/zinc/56/48/96/1220564896.db2.gz RDWFXOBWIPYQPH-BRWVUGGUSA-N 2 1 363.506 0.432 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276389 1220568772 /nfs/dbraw/zinc/56/87/72/1220568772.db2.gz MMOWPJSJGRHUST-ZACQAIPSSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276389 1220568775 /nfs/dbraw/zinc/56/87/75/1220568775.db2.gz MMOWPJSJGRHUST-ZACQAIPSSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276389 1220568781 /nfs/dbraw/zinc/56/87/81/1220568781.db2.gz MMOWPJSJGRHUST-ZACQAIPSSA-N 2 1 366.506 0.082 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377264 1220600722 /nfs/dbraw/zinc/60/07/22/1220600722.db2.gz WRMAICGCNQNTOV-BRWVUGGUSA-N 2 1 364.534 0.786 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377264 1220600728 /nfs/dbraw/zinc/60/07/28/1220600728.db2.gz WRMAICGCNQNTOV-BRWVUGGUSA-N 2 1 364.534 0.786 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377264 1220600733 /nfs/dbraw/zinc/60/07/33/1220600733.db2.gz WRMAICGCNQNTOV-BRWVUGGUSA-N 2 1 364.534 0.786 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384797 1220604398 /nfs/dbraw/zinc/60/43/98/1220604398.db2.gz BZSMNCRBYPKYSR-GUDVDZBRSA-N 2 1 365.518 0.821 20 30 FCEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001102524821 1220680624 /nfs/dbraw/zinc/68/06/24/1220680624.db2.gz YMQLQIXESUAEBU-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001102524821 1220680626 /nfs/dbraw/zinc/68/06/26/1220680626.db2.gz YMQLQIXESUAEBU-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001102524821 1220680631 /nfs/dbraw/zinc/68/06/31/1220680631.db2.gz YMQLQIXESUAEBU-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600191 1220721664 /nfs/dbraw/zinc/72/16/64/1220721664.db2.gz RMJWVARGXNZCMK-YVWKXTFCSA-N 2 1 370.497 0.723 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600191 1220721667 /nfs/dbraw/zinc/72/16/67/1220721667.db2.gz RMJWVARGXNZCMK-YVWKXTFCSA-N 2 1 370.497 0.723 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977053 1220815147 /nfs/dbraw/zinc/81/51/47/1220815147.db2.gz KRRUUIGPQHPNBF-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977053 1220815149 /nfs/dbraw/zinc/81/51/49/1220815149.db2.gz KRRUUIGPQHPNBF-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001102977053 1220815151 /nfs/dbraw/zinc/81/51/51/1220815151.db2.gz KRRUUIGPQHPNBF-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103157999 1220841852 /nfs/dbraw/zinc/84/18/52/1220841852.db2.gz NHTLEKORAXBFKQ-IXDOHACOSA-N 2 1 364.534 0.929 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157999 1220841855 /nfs/dbraw/zinc/84/18/55/1220841855.db2.gz NHTLEKORAXBFKQ-IXDOHACOSA-N 2 1 364.534 0.929 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157999 1220841856 /nfs/dbraw/zinc/84/18/56/1220841856.db2.gz NHTLEKORAXBFKQ-IXDOHACOSA-N 2 1 364.534 0.929 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001103185864 1220847406 /nfs/dbraw/zinc/84/74/06/1220847406.db2.gz VCYPJDBXJPHIEB-IAGOWNOFSA-N 2 1 362.518 0.991 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001103232621 1220855103 /nfs/dbraw/zinc/85/51/03/1220855103.db2.gz YGWLYHUXGRMBQH-HZPDHXFCSA-N 2 1 367.453 0.772 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001103438312 1220882216 /nfs/dbraw/zinc/88/22/16/1220882216.db2.gz AOMWRJJXYGYKSN-HZPDHXFCSA-N 2 1 365.522 0.678 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001103438312 1220882218 /nfs/dbraw/zinc/88/22/18/1220882218.db2.gz AOMWRJJXYGYKSN-HZPDHXFCSA-N 2 1 365.522 0.678 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001103438312 1220882221 /nfs/dbraw/zinc/88/22/21/1220882221.db2.gz AOMWRJJXYGYKSN-HZPDHXFCSA-N 2 1 365.522 0.678 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[NH+]1CCCCC1 ZINC001103752696 1220964677 /nfs/dbraw/zinc/96/46/77/1220964677.db2.gz VAQIQZRETAHGGR-IAGOWNOFSA-N 2 1 363.506 0.576 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740577 1221085313 /nfs/dbraw/zinc/08/53/13/1221085313.db2.gz DXCPZTUFBYQILA-QKLQHJQFSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740577 1221085317 /nfs/dbraw/zinc/08/53/17/1221085317.db2.gz DXCPZTUFBYQILA-QKLQHJQFSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740577 1221085322 /nfs/dbraw/zinc/08/53/22/1221085322.db2.gz DXCPZTUFBYQILA-QKLQHJQFSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001111740577 1221085329 /nfs/dbraw/zinc/08/53/29/1221085329.db2.gz DXCPZTUFBYQILA-QKLQHJQFSA-N 2 1 360.502 0.579 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111808127 1221120887 /nfs/dbraw/zinc/12/08/87/1221120887.db2.gz YMVDVFQFIJUCNB-GJYPPUQNSA-N 2 1 359.474 0.853 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111808127 1221120892 /nfs/dbraw/zinc/12/08/92/1221120892.db2.gz YMVDVFQFIJUCNB-GJYPPUQNSA-N 2 1 359.474 0.853 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984535 1221193943 /nfs/dbraw/zinc/19/39/43/1221193943.db2.gz BKHPDLOTKFWFIE-ALKREAHSSA-N 2 1 359.474 0.853 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984535 1221193946 /nfs/dbraw/zinc/19/39/46/1221193946.db2.gz BKHPDLOTKFWFIE-ALKREAHSSA-N 2 1 359.474 0.853 20 30 FCEDMP C[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112428426 1221257886 /nfs/dbraw/zinc/25/78/86/1221257886.db2.gz HOZYPQQPFOSDIK-BXWFABGCSA-N 2 1 361.490 0.329 20 30 FCEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155611 1223147082 /nfs/dbraw/zinc/14/70/82/1223147082.db2.gz KBISROGQVQHRSZ-OTWHNJEPSA-N 2 1 354.454 0.750 20 30 FCEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ccc(OCC#N)cc2)O1 ZINC001160862295 1223178750 /nfs/dbraw/zinc/17/87/50/1223178750.db2.gz LRODSQDZGLLJPF-CRAIPNDOSA-N 2 1 360.458 0.904 20 30 FCEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCCC[NH2+]Cc2ccc(OCC#N)cc2)O1 ZINC001160862295 1223178754 /nfs/dbraw/zinc/17/87/54/1223178754.db2.gz LRODSQDZGLLJPF-CRAIPNDOSA-N 2 1 360.458 0.904 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165729019 1223255470 /nfs/dbraw/zinc/25/54/70/1223255470.db2.gz XOWLEFLIPABWHE-OWCLPIDISA-N 2 1 366.506 0.272 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165729019 1223255474 /nfs/dbraw/zinc/25/54/74/1223255474.db2.gz XOWLEFLIPABWHE-OWCLPIDISA-N 2 1 366.506 0.272 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682882 1223470432 /nfs/dbraw/zinc/47/04/32/1223470432.db2.gz YYBVGOKTBNWVBS-BRWVUGGUSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682882 1223470436 /nfs/dbraw/zinc/47/04/36/1223470436.db2.gz YYBVGOKTBNWVBS-BRWVUGGUSA-N 2 1 362.518 0.990 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207758025 1223477773 /nfs/dbraw/zinc/47/77/73/1223477773.db2.gz RTONOMWRQYUAQP-HZPDHXFCSA-N 2 1 365.522 0.915 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207758025 1223477775 /nfs/dbraw/zinc/47/77/75/1223477775.db2.gz RTONOMWRQYUAQP-HZPDHXFCSA-N 2 1 365.522 0.915 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207758025 1223477778 /nfs/dbraw/zinc/47/77/78/1223477778.db2.gz RTONOMWRQYUAQP-HZPDHXFCSA-N 2 1 365.522 0.915 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207758025 1223477780 /nfs/dbraw/zinc/47/77/80/1223477780.db2.gz RTONOMWRQYUAQP-HZPDHXFCSA-N 2 1 365.522 0.915 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]2C)CC1 ZINC001211306442 1223733472 /nfs/dbraw/zinc/73/34/72/1223733472.db2.gz AOUQNLYZODEPEY-CRAIPNDOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211350076 1223736045 /nfs/dbraw/zinc/73/60/45/1223736045.db2.gz OJPSBRXIALFYOU-JTDSTZFVSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211350076 1223736047 /nfs/dbraw/zinc/73/60/47/1223736047.db2.gz OJPSBRXIALFYOU-JTDSTZFVSA-N 2 1 370.497 0.936 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211366385 1223738068 /nfs/dbraw/zinc/73/80/68/1223738068.db2.gz AIVHJYUUWYDPFW-QLFBSQMISA-N 2 1 367.494 0.163 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211366385 1223738070 /nfs/dbraw/zinc/73/80/70/1223738070.db2.gz AIVHJYUUWYDPFW-QLFBSQMISA-N 2 1 367.494 0.163 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366385 1223738071 /nfs/dbraw/zinc/73/80/71/1223738071.db2.gz AIVHJYUUWYDPFW-QLFBSQMISA-N 2 1 367.494 0.163 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366385 1223738073 /nfs/dbraw/zinc/73/80/73/1223738073.db2.gz AIVHJYUUWYDPFW-QLFBSQMISA-N 2 1 367.494 0.163 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662069 1223930238 /nfs/dbraw/zinc/93/02/38/1223930238.db2.gz SISUBOHQICDSKP-OWCLPIDISA-N 2 1 359.474 0.583 20 30 FCEDMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215228598 1223984374 /nfs/dbraw/zinc/98/43/74/1223984374.db2.gz WPLNAGKEMYYIPZ-NVXWUHKLSA-N 2 1 363.506 0.717 20 30 FCEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215571696 1224007026 /nfs/dbraw/zinc/00/70/26/1224007026.db2.gz UITYAPKPKPMZIT-SJLPKXTDSA-N 2 1 371.485 0.237 20 30 FCEDMP C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC001216754178 1224068881 /nfs/dbraw/zinc/06/88/81/1224068881.db2.gz JZGQWJOLJORSTA-SZVBFZGTSA-N 2 1 368.481 0.995 20 30 FCEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000923378696 1245713567 /nfs/dbraw/zinc/71/35/67/1245713567.db2.gz WFYBVYILRQNPRM-IPMKNSEASA-N 2 1 369.469 0.812 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227412 1255342207 /nfs/dbraw/zinc/34/22/07/1255342207.db2.gz YQNCDPXCILCZNF-GUDVDZBRSA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079247293 1255486404 /nfs/dbraw/zinc/48/64/04/1255486404.db2.gz WQMDGCFIVOTNKT-XMTFNYHQSA-N 2 1 361.486 0.278 20 30 FCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079247293 1255486409 /nfs/dbraw/zinc/48/64/09/1255486409.db2.gz WQMDGCFIVOTNKT-XMTFNYHQSA-N 2 1 361.486 0.278 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCc4ncnn43)C[C@H]2C)CC1 ZINC001080997620 1256132239 /nfs/dbraw/zinc/13/22/39/1256132239.db2.gz HBTADGNSVRSGCI-KBAYOESNSA-N 2 1 370.501 0.547 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@@H]2O)CC1 ZINC001084088113 1257911413 /nfs/dbraw/zinc/91/14/13/1257911413.db2.gz QJCXJOABZNHYPM-UXHICEINSA-N 2 1 371.481 0.572 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@@H]2O)CC1 ZINC001084088113 1257911416 /nfs/dbraw/zinc/91/14/16/1257911416.db2.gz QJCXJOABZNHYPM-UXHICEINSA-N 2 1 371.481 0.572 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@@H]2O)CC1 ZINC001084090171 1257915662 /nfs/dbraw/zinc/91/56/62/1257915662.db2.gz NJOZYGUSAHIXQU-UAGQMJEPSA-N 2 1 369.456 0.928 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084630474 1258210795 /nfs/dbraw/zinc/21/07/95/1258210795.db2.gz ICTCZRROEIHBMG-KZNAEPCWSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001084630474 1258210800 /nfs/dbraw/zinc/21/08/00/1258210800.db2.gz ICTCZRROEIHBMG-KZNAEPCWSA-N 2 1 360.502 0.648 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001100155930 1258906107 /nfs/dbraw/zinc/90/61/07/1258906107.db2.gz JERZWMXOPNWRRD-ZCNNSNEGSA-N 2 1 371.481 0.933 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001100155930 1258906112 /nfs/dbraw/zinc/90/61/12/1258906112.db2.gz JERZWMXOPNWRRD-ZCNNSNEGSA-N 2 1 371.481 0.933 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608382 1259131771 /nfs/dbraw/zinc/13/17/71/1259131771.db2.gz OTGKFZHLAQNZSU-VQIMIIECSA-N 2 1 358.486 0.192 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060464 1259303799 /nfs/dbraw/zinc/30/37/99/1259303799.db2.gz SIHSSALLWVCDIA-IKGGRYGDSA-N 2 1 364.494 0.408 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129060464 1259303805 /nfs/dbraw/zinc/30/38/05/1259303805.db2.gz SIHSSALLWVCDIA-IKGGRYGDSA-N 2 1 364.494 0.408 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249286 1259376404 /nfs/dbraw/zinc/37/64/04/1259376404.db2.gz VTKWJDRBPDFAKE-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001130249286 1259376408 /nfs/dbraw/zinc/37/64/08/1259376408.db2.gz VTKWJDRBPDFAKE-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001130249286 1259376414 /nfs/dbraw/zinc/37/64/14/1259376414.db2.gz VTKWJDRBPDFAKE-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249286 1259376418 /nfs/dbraw/zinc/37/64/18/1259376418.db2.gz VTKWJDRBPDFAKE-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249286 1259376424 /nfs/dbraw/zinc/37/64/24/1259376424.db2.gz VTKWJDRBPDFAKE-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001212458128 1259512816 /nfs/dbraw/zinc/51/28/16/1259512816.db2.gz BMOCMEAITWHCOR-IAGOWNOFSA-N 2 1 369.506 0.363 20 30 FCEDMP N#Cc1ccc(N2C[C@]3(COCC[N@H+](CCCC[NH3+])C3)OCC2=O)cc1 ZINC001235488799 1259574036 /nfs/dbraw/zinc/57/40/36/1259574036.db2.gz DJQGLLCZUXWSHO-LJQANCHMSA-N 2 1 358.442 0.731 20 30 FCEDMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccnc(C#N)c1)CC2 ZINC001237463875 1259599218 /nfs/dbraw/zinc/59/92/18/1259599218.db2.gz NJKZENGDHJDMEJ-UHFFFAOYSA-N 2 1 370.501 0.623 20 30 FCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001251839358 1259762179 /nfs/dbraw/zinc/76/21/79/1259762179.db2.gz DOVKHVZFTVMBNO-XWSJACJDSA-N 2 1 361.490 0.462 20 30 FCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001251839358 1259762183 /nfs/dbraw/zinc/76/21/83/1259762183.db2.gz DOVKHVZFTVMBNO-XWSJACJDSA-N 2 1 361.490 0.462 20 30 FCEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001251839358 1259762191 /nfs/dbraw/zinc/76/21/91/1259762191.db2.gz DOVKHVZFTVMBNO-XWSJACJDSA-N 2 1 361.490 0.462 20 30 FCEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001251839358 1259762199 /nfs/dbraw/zinc/76/21/99/1259762199.db2.gz DOVKHVZFTVMBNO-XWSJACJDSA-N 2 1 361.490 0.462 20 30 FCEDMP CC(=O)N1CC[C@@H](C[NH+](C)CC#CC[N@H+](C)C[C@@H]2CCN(C(C)=O)C2)C1 ZINC001261786534 1260189454 /nfs/dbraw/zinc/18/94/54/1260189454.db2.gz JOFBAKKAUDKZAR-PMACEKPBSA-N 2 1 362.518 0.590 20 30 FCEDMP COc1ccc(N2CC[NH+](CCNC(=O)NCC#CC[NH+](C)C)CC2)cc1 ZINC001311749965 1263262377 /nfs/dbraw/zinc/26/23/77/1263262377.db2.gz OYCDLLCVWZZVHZ-UHFFFAOYSA-N 2 1 373.501 0.681 20 30 FCEDMP COc1ccc(C#N)cc1C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496978367 1263907131 /nfs/dbraw/zinc/90/71/31/1263907131.db2.gz BGUKIPYJIPMUGI-XOKHGSTOSA-N 2 1 360.458 0.474 20 30 FCEDMP C#CC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001326531363 1265127194 /nfs/dbraw/zinc/12/71/94/1265127194.db2.gz LAGOCQJIRPSMMX-SFHVURJKSA-N 2 1 360.502 0.485 20 30 FCEDMP C#CC1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC001326531363 1265127199 /nfs/dbraw/zinc/12/71/99/1265127199.db2.gz LAGOCQJIRPSMMX-SFHVURJKSA-N 2 1 360.502 0.485 20 30 FCEDMP C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001574485142 1271292198 /nfs/dbraw/zinc/29/21/98/1271292198.db2.gz BEBXNHFVLSERGI-ZACQAIPSSA-N 2 1 373.549 0.967 20 30 FCEDMP C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001574485142 1271292203 /nfs/dbraw/zinc/29/22/03/1271292203.db2.gz BEBXNHFVLSERGI-ZACQAIPSSA-N 2 1 373.549 0.967 20 30 FCEDMP C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001574485142 1271292205 /nfs/dbraw/zinc/29/22/05/1271292205.db2.gz BEBXNHFVLSERGI-ZACQAIPSSA-N 2 1 373.549 0.967 20 30 FCEDMP C#CCN1CCN(c2nnc(C3CC[NH2+]CC3)n2CC[N@H+](C)C(C)C)CC1 ZINC001574706607 1271497339 /nfs/dbraw/zinc/49/73/39/1271497339.db2.gz GMBAGJRPRSTLKM-UHFFFAOYSA-N 2 1 373.549 0.841 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCc2c[nH]nn2)C3)CC1 ZINC001574967180 1271686990 /nfs/dbraw/zinc/68/69/90/1271686990.db2.gz NVHWCEQSLNYBRO-UHFFFAOYSA-N 2 1 370.501 0.617 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@H+](CCc2cn[nH]n2)C3)CC1 ZINC001574967180 1271687003 /nfs/dbraw/zinc/68/70/03/1271687003.db2.gz NVHWCEQSLNYBRO-UHFFFAOYSA-N 2 1 370.501 0.617 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CCC[N@@H+](CCc2cn[nH]n2)C3)CC1 ZINC001574967180 1271687010 /nfs/dbraw/zinc/68/70/10/1271687010.db2.gz NVHWCEQSLNYBRO-UHFFFAOYSA-N 2 1 370.501 0.617 20 30 FCEDMP C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001752926445 1290616177 /nfs/dbraw/zinc/61/61/77/1290616177.db2.gz QXHUBIAVLDVKTC-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001690078374 1294856229 /nfs/dbraw/zinc/85/62/29/1294856229.db2.gz REPXGIYEJPZDQJ-UXHICEINSA-N 2 1 354.498 0.699 20 30 FCEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001690078374 1294856241 /nfs/dbraw/zinc/85/62/41/1294856241.db2.gz REPXGIYEJPZDQJ-UXHICEINSA-N 2 1 354.498 0.699 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@H]2O)CC1 ZINC001078227074 839415375 /nfs/dbraw/zinc/41/53/75/839415375.db2.gz HTGSTZPVXTWQDY-HZPDHXFCSA-N 2 1 355.429 0.538 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C2)C1=O ZINC001102524933 844552913 /nfs/dbraw/zinc/55/29/13/844552913.db2.gz DOJMDLPXDCPBQZ-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C2)C1=O ZINC001102524933 844552920 /nfs/dbraw/zinc/55/29/20/844552920.db2.gz DOJMDLPXDCPBQZ-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C2)C1=O ZINC001102524933 844552927 /nfs/dbraw/zinc/55/29/27/844552927.db2.gz DOJMDLPXDCPBQZ-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2C)CC1 ZINC001102596609 844587428 /nfs/dbraw/zinc/58/74/28/844587428.db2.gz PEEPNMIWCUMQFZ-NXHRZFHOSA-N 2 1 351.491 0.023 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)C1=O ZINC001103398165 844750809 /nfs/dbraw/zinc/75/08/09/844750809.db2.gz GCPZGPGTXXFOGX-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362664 844900571 /nfs/dbraw/zinc/90/05/71/844900571.db2.gz BXBLIRCZVQLWGE-HZPDHXFCSA-N 2 1 350.507 0.540 20 30 FCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104932956 844960775 /nfs/dbraw/zinc/96/07/75/844960775.db2.gz XHHGUJJZKIDEPK-HZPDHXFCSA-N 2 1 351.495 0.432 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106110928 845102515 /nfs/dbraw/zinc/10/25/15/845102515.db2.gz BGDXKRLQRCMEEJ-ZACQAIPSSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111949960 846272048 /nfs/dbraw/zinc/27/20/48/846272048.db2.gz XWJXWNGPOWLSQV-GJYPPUQNSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CCC)C1 ZINC001111949960 846272039 /nfs/dbraw/zinc/27/20/39/846272039.db2.gz XWJXWNGPOWLSQV-GJYPPUQNSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CCC)C1 ZINC001111949960 846272057 /nfs/dbraw/zinc/27/20/57/846272057.db2.gz XWJXWNGPOWLSQV-GJYPPUQNSA-N 2 1 350.507 0.990 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159182 846425557 /nfs/dbraw/zinc/42/55/57/846425557.db2.gz UYWUYHZHKRQLGB-JHJVBQTASA-N 2 1 362.396 0.055 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567385 846526327 /nfs/dbraw/zinc/52/63/27/846526327.db2.gz MBPQZDQGIKXMJG-LPHOPBHVSA-N 2 1 350.507 0.849 20 30 FCEDMP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884187 851138991 /nfs/dbraw/zinc/13/89/91/851138991.db2.gz CXIRBDUEJLXTMT-YWTNHNAXSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884187 851138999 /nfs/dbraw/zinc/13/89/99/851138999.db2.gz CXIRBDUEJLXTMT-YWTNHNAXSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207537690 853821370 /nfs/dbraw/zinc/82/13/70/853821370.db2.gz GRNVRBQLGNLSJW-IXDOHACOSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207537690 853821379 /nfs/dbraw/zinc/82/13/79/853821379.db2.gz GRNVRBQLGNLSJW-IXDOHACOSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537690 853821384 /nfs/dbraw/zinc/82/13/84/853821384.db2.gz GRNVRBQLGNLSJW-IXDOHACOSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537690 853821390 /nfs/dbraw/zinc/82/13/90/853821390.db2.gz GRNVRBQLGNLSJW-IXDOHACOSA-N 2 1 350.507 0.703 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208676324 853965426 /nfs/dbraw/zinc/96/54/26/853965426.db2.gz MQNKMUNOAIQDLF-OWCLPIDISA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208676324 853965432 /nfs/dbraw/zinc/96/54/32/853965432.db2.gz MQNKMUNOAIQDLF-OWCLPIDISA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208676324 853965434 /nfs/dbraw/zinc/96/54/34/853965434.db2.gz MQNKMUNOAIQDLF-OWCLPIDISA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208676324 853965440 /nfs/dbraw/zinc/96/54/40/853965440.db2.gz MQNKMUNOAIQDLF-OWCLPIDISA-N 2 1 350.507 0.539 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208739702 853971165 /nfs/dbraw/zinc/97/11/65/853971165.db2.gz WIWIWPFHYFXXLW-KZNAEPCWSA-N 2 1 351.491 0.574 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208739702 853971168 /nfs/dbraw/zinc/97/11/68/853971168.db2.gz WIWIWPFHYFXXLW-KZNAEPCWSA-N 2 1 351.491 0.574 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211025596 854147771 /nfs/dbraw/zinc/14/77/71/854147771.db2.gz MPPFVHZXNSXDEX-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211025596 854147776 /nfs/dbraw/zinc/14/77/76/854147776.db2.gz MPPFVHZXNSXDEX-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211025596 854147780 /nfs/dbraw/zinc/14/77/80/854147780.db2.gz MPPFVHZXNSXDEX-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211025596 854147783 /nfs/dbraw/zinc/14/77/83/854147783.db2.gz MPPFVHZXNSXDEX-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211073318 854153111 /nfs/dbraw/zinc/15/31/11/854153111.db2.gz CMECOHIXRCGHQT-IAGOWNOFSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211073318 854153114 /nfs/dbraw/zinc/15/31/14/854153114.db2.gz CMECOHIXRCGHQT-IAGOWNOFSA-N 2 1 350.507 0.991 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2C)CC1 ZINC001211307180 854175052 /nfs/dbraw/zinc/17/50/52/854175052.db2.gz PDTLTGJPZAMVDB-SJLPKXTDSA-N 2 1 351.491 0.431 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001216217063 855180403 /nfs/dbraw/zinc/18/04/03/855180403.db2.gz GYVADKIZFMAOOX-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844968 855485852 /nfs/dbraw/zinc/48/58/52/855485852.db2.gz QHQIGFLJASDPDM-ZWKOTPCHSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968604 856752361 /nfs/dbraw/zinc/75/23/61/856752361.db2.gz UJYCSZBUGFJCSP-GVDBMIGSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001221968604 856752365 /nfs/dbraw/zinc/75/23/65/856752365.db2.gz UJYCSZBUGFJCSP-GVDBMIGSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968604 856752368 /nfs/dbraw/zinc/75/23/68/856752368.db2.gz UJYCSZBUGFJCSP-GVDBMIGSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968604 856752373 /nfs/dbraw/zinc/75/23/73/856752373.db2.gz UJYCSZBUGFJCSP-GVDBMIGSSA-N 2 1 350.507 0.942 20 30 FCEDMP C#CCOC[C@@H](O)CN1CCC([N@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC001251835086 857755769 /nfs/dbraw/zinc/75/57/69/857755769.db2.gz FLBNFZZXFYGPOY-AEFFLSMTSA-N 2 1 352.475 0.737 20 30 FCEDMP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[NH+](C[C@H]3CCOC3)CC2)n1C ZINC000261948895 229291982 /nfs/dbraw/zinc/29/19/82/229291982.db2.gz GSNUFFLIZBZUDM-OAHLLOKOSA-N 2 1 361.494 0.386 20 30 FCEDMP CC(C)(C)OC(=O)N1CCN2C(NCCC[NH+]3CCOCC3)=[NH+]C[C@H]2C1 ZINC000305013028 488893397 /nfs/dbraw/zinc/89/33/97/488893397.db2.gz KZZBWHCKAMSKJC-HNNXBMFYSA-N 2 1 367.494 0.589 20 30 FCEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000328945468 488954280 /nfs/dbraw/zinc/95/42/80/488954280.db2.gz MBRGLJIVTGMGIJ-GOSISDBHSA-N 2 1 364.494 0.934 20 30 FCEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000328945468 488954281 /nfs/dbraw/zinc/95/42/81/488954281.db2.gz MBRGLJIVTGMGIJ-GOSISDBHSA-N 2 1 364.494 0.934 20 30 FCEDMP C[N@@H+]1CC=C(CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329214252 488981701 /nfs/dbraw/zinc/98/17/01/488981701.db2.gz KWLGBNFTQSRNMC-QGZVFWFLSA-N 2 1 364.490 0.918 20 30 FCEDMP C[N@H+]1CC=C(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329214252 488981706 /nfs/dbraw/zinc/98/17/06/488981706.db2.gz KWLGBNFTQSRNMC-QGZVFWFLSA-N 2 1 364.490 0.918 20 30 FCEDMP C[N@@H+]1CC=C(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329214252 488981708 /nfs/dbraw/zinc/98/17/08/488981708.db2.gz KWLGBNFTQSRNMC-QGZVFWFLSA-N 2 1 364.490 0.918 20 30 FCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000329506423 489011155 /nfs/dbraw/zinc/01/11/55/489011155.db2.gz ZOSWKIHHQZROGI-KRWDZBQOSA-N 2 1 353.511 0.190 20 30 FCEDMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329819380 489039361 /nfs/dbraw/zinc/03/93/61/489039361.db2.gz GMGSDRKAGXFINQ-HNNXBMFYSA-N 2 1 353.511 0.727 20 30 FCEDMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000330153099 489074456 /nfs/dbraw/zinc/07/44/56/489074456.db2.gz XACZTDVMKHLCQX-OAGGEKHMSA-N 2 1 351.495 0.622 20 30 FCEDMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000330153099 489074458 /nfs/dbraw/zinc/07/44/58/489074458.db2.gz XACZTDVMKHLCQX-OAGGEKHMSA-N 2 1 351.495 0.622 20 30 FCEDMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000330153099 489074460 /nfs/dbraw/zinc/07/44/60/489074460.db2.gz XACZTDVMKHLCQX-OAGGEKHMSA-N 2 1 351.495 0.622 20 30 FCEDMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200295 489079233 /nfs/dbraw/zinc/07/92/33/489079233.db2.gz ADVPRRMVAKQSIG-CVEARBPZSA-N 2 1 354.495 0.806 20 30 FCEDMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200295 489079235 /nfs/dbraw/zinc/07/92/35/489079235.db2.gz ADVPRRMVAKQSIG-CVEARBPZSA-N 2 1 354.495 0.806 20 30 FCEDMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200295 489079237 /nfs/dbraw/zinc/07/92/37/489079237.db2.gz ADVPRRMVAKQSIG-CVEARBPZSA-N 2 1 354.495 0.806 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000293342696 489182947 /nfs/dbraw/zinc/18/29/47/489182947.db2.gz KGDNUCGNYHZOET-UHFFFAOYSA-N 2 1 374.485 0.945 20 30 FCEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(C#N)cc2)CC1 ZINC000521030847 490215610 /nfs/dbraw/zinc/21/56/10/490215610.db2.gz DRFDYUXBKDRKNZ-SFHVURJKSA-N 2 1 374.485 0.830 20 30 FCEDMP C[C@@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC000423033009 490524864 /nfs/dbraw/zinc/52/48/64/490524864.db2.gz GAXKMIXBIPGEKH-MRXNPFEDSA-N 2 1 369.469 0.413 20 30 FCEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600725485 491879296 /nfs/dbraw/zinc/87/92/96/491879296.db2.gz XFPFHXNAIITXEK-ZWKOTPCHSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600725485 491879298 /nfs/dbraw/zinc/87/92/98/491879298.db2.gz XFPFHXNAIITXEK-ZWKOTPCHSA-N 2 1 374.485 0.830 20 30 FCEDMP O=C(NCC#CCNC(=O)[C@H]1CCC[N@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683869566 493375575 /nfs/dbraw/zinc/37/55/75/493375575.db2.gz QWDRXWWFBDZPNM-QZTJIDSGSA-N 2 1 358.486 0.476 20 30 FCEDMP C[NH+]=C(NCC1(CO)CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261663289 526350616 /nfs/dbraw/zinc/35/06/16/526350616.db2.gz GCFGGTRSLKGGQD-MRXNPFEDSA-N 2 1 354.495 0.005 20 30 FCEDMP C[NH+]=C(NCCN1CCOCC1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179089922 526358095 /nfs/dbraw/zinc/35/80/95/526358095.db2.gz AUJNNNFLJOMEGJ-QGZVFWFLSA-N 2 1 367.538 0.327 20 30 FCEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)N(C)C[C@@H]1CCOC1 ZINC000131096190 526385354 /nfs/dbraw/zinc/38/53/54/526385354.db2.gz KBNZNQODZKDSCW-INIZCTEOSA-N 2 1 360.506 0.877 20 30 FCEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)N[C@H]1C[C@H]2CC[C@@H]1O2 ZINC000159694890 526385449 /nfs/dbraw/zinc/38/54/49/526385449.db2.gz PFEMWHLFLNCSPN-IKGGRYGDSA-N 2 1 358.490 0.818 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000178089863 526426990 /nfs/dbraw/zinc/42/69/90/526426990.db2.gz BGNDKHIBYHNATD-KRWDZBQOSA-N 2 1 363.506 0.585 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105322355 526724890 /nfs/dbraw/zinc/72/48/90/526724890.db2.gz KQBYQBHKVOMHTR-QZTJIDSGSA-N 2 1 360.502 0.487 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105322355 526724897 /nfs/dbraw/zinc/72/48/97/526724897.db2.gz KQBYQBHKVOMHTR-QZTJIDSGSA-N 2 1 360.502 0.487 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262575196 528809679 /nfs/dbraw/zinc/80/96/79/528809679.db2.gz OAZLLFQVESHRLX-DLBZAZTESA-N 2 1 365.522 0.617 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000264069092 529073069 /nfs/dbraw/zinc/07/30/69/529073069.db2.gz CPLAKLWWGQDFEV-KGLIPLIRSA-N 2 1 364.446 0.544 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1ccc2c(c1)OCO2 ZINC000264069089 529100731 /nfs/dbraw/zinc/10/07/31/529100731.db2.gz CPLAKLWWGQDFEV-KBPBESRZSA-N 2 1 364.446 0.544 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000264073980 529100909 /nfs/dbraw/zinc/10/09/09/529100909.db2.gz GUCUTZAXLVYINT-KRWDZBQOSA-N 3 1 359.522 0.722 20 30 FCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCN(C)CC2)nc1 ZINC000264073980 529100914 /nfs/dbraw/zinc/10/09/14/529100914.db2.gz GUCUTZAXLVYINT-KRWDZBQOSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(N2CCN(C)CC2)nc1 ZINC000264073980 529100919 /nfs/dbraw/zinc/10/09/19/529100919.db2.gz GUCUTZAXLVYINT-KRWDZBQOSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000104163579 529101195 /nfs/dbraw/zinc/10/11/95/529101195.db2.gz JICVJTZIDIZTDQ-KRWDZBQOSA-N 3 1 359.522 0.722 20 30 FCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(N2CCN(C)CC2)c1 ZINC000104163579 529101200 /nfs/dbraw/zinc/10/12/00/529101200.db2.gz JICVJTZIDIZTDQ-KRWDZBQOSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccnc(N2CCN(C)CC2)c1 ZINC000104163579 529101204 /nfs/dbraw/zinc/10/12/04/529101204.db2.gz JICVJTZIDIZTDQ-KRWDZBQOSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C)S(=O)(=O)c1cccs1 ZINC000151405177 529101631 /nfs/dbraw/zinc/10/16/31/529101631.db2.gz VDRFTTYGSQOJMV-ZDUSSCGKSA-N 2 1 373.548 0.757 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000561437506 546546676 /nfs/dbraw/zinc/54/66/76/546546676.db2.gz JFYUPUJIXUAECO-WBVHZDCISA-N 2 1 350.507 0.942 20 30 FCEDMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000330242625 546591418 /nfs/dbraw/zinc/59/14/18/546591418.db2.gz GEVQDVSQGYGYAI-RDJZCZTQSA-N 2 1 353.511 0.331 20 30 FCEDMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000330242625 546591420 /nfs/dbraw/zinc/59/14/20/546591420.db2.gz GEVQDVSQGYGYAI-RDJZCZTQSA-N 2 1 353.511 0.331 20 30 FCEDMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330242625 546591423 /nfs/dbraw/zinc/59/14/23/546591423.db2.gz GEVQDVSQGYGYAI-RDJZCZTQSA-N 2 1 353.511 0.331 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000550654132 547094461 /nfs/dbraw/zinc/09/44/61/547094461.db2.gz LUKPIGSFCTULDB-MRXNPFEDSA-N 2 1 350.507 0.991 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000553672347 547299301 /nfs/dbraw/zinc/29/93/01/547299301.db2.gz RPAWDIRRBFJBIR-MRXNPFEDSA-N 2 1 350.507 0.991 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CCC)C2)CC1 ZINC000553672346 547299504 /nfs/dbraw/zinc/29/95/04/547299504.db2.gz RPAWDIRRBFJBIR-INIZCTEOSA-N 2 1 350.507 0.991 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000890376480 673715193 /nfs/dbraw/zinc/71/51/93/673715193.db2.gz FXNFBJGATMTPOC-SFHVURJKSA-N 3 1 351.539 0.999 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000890376480 673715195 /nfs/dbraw/zinc/71/51/95/673715195.db2.gz FXNFBJGATMTPOC-SFHVURJKSA-N 3 1 351.539 0.999 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2CC(C)C)CC1 ZINC000930007289 673992220 /nfs/dbraw/zinc/99/22/20/673992220.db2.gz OHPIJXYJNMRPKA-QGZVFWFLSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)CC1 ZINC000930007289 673992221 /nfs/dbraw/zinc/99/22/21/673992221.db2.gz OHPIJXYJNMRPKA-QGZVFWFLSA-N 2 1 350.507 0.942 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167096413 1168209962 /nfs/dbraw/zinc/20/99/62/1168209962.db2.gz ZKEBKFSOEJWSGO-QRQLOZEOSA-N 2 1 370.497 0.566 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294239 1169684433 /nfs/dbraw/zinc/68/44/33/1169684433.db2.gz DZQLICVPMBEJHI-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000972250864 1171887450 /nfs/dbraw/zinc/88/74/50/1171887450.db2.gz KHQGFNWUEINRKT-FGTMMUONSA-N 2 1 358.486 0.239 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000972250864 1171887452 /nfs/dbraw/zinc/88/74/52/1171887452.db2.gz KHQGFNWUEINRKT-FGTMMUONSA-N 2 1 358.486 0.239 20 30 FCEDMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC1 ZINC001691572919 1192888950 /nfs/dbraw/zinc/88/89/50/1192888950.db2.gz FSIIORPAQMXHTR-SJORKVTESA-N 2 1 361.490 0.138 20 30 FCEDMP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC1 ZINC001691572919 1192888952 /nfs/dbraw/zinc/88/89/52/1192888952.db2.gz FSIIORPAQMXHTR-SJORKVTESA-N 2 1 361.490 0.138 20 30 FCEDMP C=CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C2 ZINC001112522209 1181268655 /nfs/dbraw/zinc/26/86/55/1181268655.db2.gz KVWJQDRDJGFTJS-IEZWGBDMSA-N 2 1 359.474 0.861 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001104682128 1182364507 /nfs/dbraw/zinc/36/45/07/1182364507.db2.gz CMDGIWIRFOKJBN-IAGOWNOFSA-N 2 1 364.534 0.788 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001025795056 1182847140 /nfs/dbraw/zinc/84/71/40/1182847140.db2.gz NJIQCZCKMDBYRO-DWMDIXPDSA-N 2 1 360.502 0.550 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001025795056 1182847144 /nfs/dbraw/zinc/84/71/44/1182847144.db2.gz NJIQCZCKMDBYRO-DWMDIXPDSA-N 2 1 360.502 0.550 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001025795056 1182847145 /nfs/dbraw/zinc/84/71/45/1182847145.db2.gz NJIQCZCKMDBYRO-DWMDIXPDSA-N 2 1 360.502 0.550 20 30 FCEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001211730135 1187511993 /nfs/dbraw/zinc/51/19/93/1187511993.db2.gz QISILAXTKPFNPU-ZWKOTPCHSA-N 2 1 371.485 0.551 20 30 FCEDMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C[C@@H]2C1 ZINC001088049591 1190308396 /nfs/dbraw/zinc/30/83/96/1190308396.db2.gz OTHWBWJGFPKEFW-HCXYKTFWSA-N 2 1 363.502 0.833 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218550702 1224171439 /nfs/dbraw/zinc/17/14/39/1224171439.db2.gz KGDCZPLLWAVNMC-YESZJQIVSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000553329421 1193989200 /nfs/dbraw/zinc/98/92/00/1193989200.db2.gz FWOKNFOUKYBZQB-HNNXBMFYSA-N 2 1 366.506 0.057 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000553329421 1193989203 /nfs/dbraw/zinc/98/92/03/1193989203.db2.gz FWOKNFOUKYBZQB-HNNXBMFYSA-N 2 1 366.506 0.057 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077026495 1195156370 /nfs/dbraw/zinc/15/63/70/1195156370.db2.gz ABPUYSCLILICLM-WJFTUGDTSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077026495 1195156379 /nfs/dbraw/zinc/15/63/79/1195156379.db2.gz ABPUYSCLILICLM-WJFTUGDTSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[NH+]1C ZINC001077026495 1195156385 /nfs/dbraw/zinc/15/63/85/1195156385.db2.gz ABPUYSCLILICLM-WJFTUGDTSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[NH+]1C ZINC001077026495 1195156390 /nfs/dbraw/zinc/15/63/90/1195156390.db2.gz ABPUYSCLILICLM-WJFTUGDTSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)CC[N@@H+]1C ZINC001077027037 1195157612 /nfs/dbraw/zinc/15/76/12/1195157612.db2.gz YQGMVTPNVJFEOW-WJFTUGDTSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@H]2O)CC[N@H+]1C ZINC001077027037 1195157618 /nfs/dbraw/zinc/15/76/18/1195157618.db2.gz YQGMVTPNVJFEOW-WJFTUGDTSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077027037 1195157628 /nfs/dbraw/zinc/15/76/28/1195157628.db2.gz YQGMVTPNVJFEOW-WJFTUGDTSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC[NH+]1C ZINC001077027037 1195157633 /nfs/dbraw/zinc/15/76/33/1195157633.db2.gz YQGMVTPNVJFEOW-WJFTUGDTSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106249280 1197781789 /nfs/dbraw/zinc/78/17/89/1197781789.db2.gz FTTCSAFEURTHQE-KFWWJZLASA-N 2 1 358.446 0.084 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129348360 1199095188 /nfs/dbraw/zinc/09/51/88/1199095188.db2.gz MSAIILPPLXRNOS-SJORKVTESA-N 2 1 362.478 0.307 20 30 FCEDMP C#CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723381 1224575956 /nfs/dbraw/zinc/57/59/56/1224575956.db2.gz LOOCLTDBMHHGNF-MOPGFXCFSA-N 3 1 354.498 0.955 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538903 1200371059 /nfs/dbraw/zinc/37/10/59/1200371059.db2.gz YRUQKPTWTYOOTM-IBTBTWTJSA-N 2 1 361.486 0.774 20 30 FCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538903 1200371064 /nfs/dbraw/zinc/37/10/64/1200371064.db2.gz YRUQKPTWTYOOTM-IBTBTWTJSA-N 2 1 361.486 0.774 20 30 FCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538903 1200371070 /nfs/dbraw/zinc/37/10/70/1200371070.db2.gz YRUQKPTWTYOOTM-IBTBTWTJSA-N 2 1 361.486 0.774 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001129936597 1201436398 /nfs/dbraw/zinc/43/63/98/1201436398.db2.gz GMRKVZSJZNIIEE-AEFFLSMTSA-N 2 1 367.457 0.418 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129919405 1201441510 /nfs/dbraw/zinc/44/15/10/1201441510.db2.gz WNPCIHLGQDSGJM-CVEARBPZSA-N 2 1 364.494 0.553 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129923662 1201443092 /nfs/dbraw/zinc/44/30/92/1201443092.db2.gz PBBSXYBQZBFXJD-KURKYZTESA-N 2 1 358.490 0.763 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC001130220776 1201550708 /nfs/dbraw/zinc/55/07/08/1201550708.db2.gz LRNNVRNEQAMGJR-ZNMIVQPWSA-N 2 1 364.494 0.799 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001130237857 1201560478 /nfs/dbraw/zinc/56/04/78/1201560478.db2.gz GTMOERHLYCXYOK-KKUMJFAQSA-N 2 1 360.462 0.001 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@@H]2C)[nH]1 ZINC001130237857 1201560484 /nfs/dbraw/zinc/56/04/84/1201560484.db2.gz GTMOERHLYCXYOK-KKUMJFAQSA-N 2 1 360.462 0.001 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@@H]2C)[nH]1 ZINC001130237857 1201560492 /nfs/dbraw/zinc/56/04/92/1201560492.db2.gz GTMOERHLYCXYOK-KKUMJFAQSA-N 2 1 360.462 0.001 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001130246655 1201565813 /nfs/dbraw/zinc/56/58/13/1201565813.db2.gz LNPAKQCYZMFIPY-KBPBESRZSA-N 2 1 360.462 0.165 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001130246655 1201565817 /nfs/dbraw/zinc/56/58/17/1201565817.db2.gz LNPAKQCYZMFIPY-KBPBESRZSA-N 2 1 360.462 0.165 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249079 1201569117 /nfs/dbraw/zinc/56/91/17/1201569117.db2.gz IUUJNAYNSCIETD-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130249079 1201569120 /nfs/dbraw/zinc/56/91/20/1201569120.db2.gz IUUJNAYNSCIETD-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001130249079 1201569125 /nfs/dbraw/zinc/56/91/25/1201569125.db2.gz IUUJNAYNSCIETD-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249079 1201569129 /nfs/dbraw/zinc/56/91/29/1201569129.db2.gz IUUJNAYNSCIETD-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249079 1201569132 /nfs/dbraw/zinc/56/91/32/1201569132.db2.gz IUUJNAYNSCIETD-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001130307708 1201582511 /nfs/dbraw/zinc/58/25/11/1201582511.db2.gz ZQFULXGEKOXXFD-XLIONFOSSA-N 2 1 362.518 0.825 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130815816 1202806627 /nfs/dbraw/zinc/80/66/27/1202806627.db2.gz BAYAKTNOEALXHX-QLFBSQMISA-N 2 1 362.478 0.758 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130815816 1202806632 /nfs/dbraw/zinc/80/66/32/1202806632.db2.gz BAYAKTNOEALXHX-QLFBSQMISA-N 2 1 362.478 0.758 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130815816 1202806634 /nfs/dbraw/zinc/80/66/34/1202806634.db2.gz BAYAKTNOEALXHX-QLFBSQMISA-N 2 1 362.478 0.758 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817123 1202807669 /nfs/dbraw/zinc/80/76/69/1202807669.db2.gz AKJHLOHRXVZKOM-SOUVJXGZSA-N 2 1 362.478 0.758 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817123 1202807671 /nfs/dbraw/zinc/80/76/71/1202807671.db2.gz AKJHLOHRXVZKOM-SOUVJXGZSA-N 2 1 362.478 0.758 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817123 1202807673 /nfs/dbraw/zinc/80/76/73/1202807673.db2.gz AKJHLOHRXVZKOM-SOUVJXGZSA-N 2 1 362.478 0.758 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014809 1202845569 /nfs/dbraw/zinc/84/55/69/1202845569.db2.gz HSVJENNYYPRYBQ-YFHUEUNASA-N 2 1 359.474 0.047 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014809 1202845571 /nfs/dbraw/zinc/84/55/71/1202845571.db2.gz HSVJENNYYPRYBQ-YFHUEUNASA-N 2 1 359.474 0.047 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131121137 1202865879 /nfs/dbraw/zinc/86/58/79/1202865879.db2.gz NVUYWGNIMXEIJP-IAGOWNOFSA-N 2 1 370.457 0.159 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126341 1203015540 /nfs/dbraw/zinc/01/55/40/1203015540.db2.gz MAZBJOHSLGRGPE-QYZOEREBSA-N 2 1 370.497 0.825 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1=O ZINC001134126340 1203015974 /nfs/dbraw/zinc/01/59/74/1203015974.db2.gz MAZBJOHSLGRGPE-CEXWTWQISA-N 2 1 370.497 0.825 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001086720661 1203019155 /nfs/dbraw/zinc/01/91/55/1203019155.db2.gz HNBDFAIYEKAYAP-JZXOWHBKSA-N 2 1 371.485 0.957 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001086720661 1203019157 /nfs/dbraw/zinc/01/91/57/1203019157.db2.gz HNBDFAIYEKAYAP-JZXOWHBKSA-N 2 1 371.485 0.957 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](Cc4cnnn4C)C[C@@]3(C)C2)CC1 ZINC001092300278 1205233490 /nfs/dbraw/zinc/23/34/90/1205233490.db2.gz UPEDBUZCXJLMKO-XLIONFOSSA-N 2 1 370.501 0.441 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](Cc4cnnn4C)C[C@@]3(C)C2)CC1 ZINC001092300278 1205233496 /nfs/dbraw/zinc/23/34/96/1205233496.db2.gz UPEDBUZCXJLMKO-XLIONFOSSA-N 2 1 370.501 0.441 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@@H](C)C(=O)NC)C[C@@]3(C)C2)CC1 ZINC001092300215 1205233723 /nfs/dbraw/zinc/23/37/23/1205233723.db2.gz RMOPUTZPLZNXNN-VPWXQRGCSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cn(C)nn3)C[C@H]2C)CC1 ZINC001093223625 1206061943 /nfs/dbraw/zinc/06/19/43/1206061943.db2.gz DGQIBHVHPVXQOC-NVXWUHKLSA-N 2 1 358.490 0.344 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cn(C)nn3)C[C@H]2C)CC1 ZINC001093223625 1206061945 /nfs/dbraw/zinc/06/19/45/1206061945.db2.gz DGQIBHVHPVXQOC-NVXWUHKLSA-N 2 1 358.490 0.344 20 30 FCEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093469428 1206085346 /nfs/dbraw/zinc/08/53/46/1206085346.db2.gz FTABWHXBMDEWQH-HNBVOPMISA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC1 ZINC001110152264 1206171016 /nfs/dbraw/zinc/17/10/16/1206171016.db2.gz MACPRYMICCTRTF-QYZOEREBSA-N 2 1 372.513 0.579 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC1 ZINC001110152264 1206171017 /nfs/dbraw/zinc/17/10/17/1206171017.db2.gz MACPRYMICCTRTF-QYZOEREBSA-N 2 1 372.513 0.579 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181897060 1206417090 /nfs/dbraw/zinc/41/70/90/1206417090.db2.gz WKMJHCIBZNKUDX-YKTARERQSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181897060 1206417095 /nfs/dbraw/zinc/41/70/95/1206417095.db2.gz WKMJHCIBZNKUDX-YKTARERQSA-N 2 1 366.506 0.082 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000884244750 1210725695 /nfs/dbraw/zinc/72/56/95/1210725695.db2.gz KOARFLIZKCLRJR-QGZVFWFLSA-N 2 1 359.474 0.919 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000884244750 1210725697 /nfs/dbraw/zinc/72/56/97/1210725697.db2.gz KOARFLIZKCLRJR-QGZVFWFLSA-N 2 1 359.474 0.919 20 30 FCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C[C@@H]([NH+]3CCOCC3)C13CCC3)C2 ZINC000884413408 1210733818 /nfs/dbraw/zinc/73/38/18/1210733818.db2.gz RUGXXEGNHIYHQB-RWBIUQBRSA-N 2 1 358.486 0.885 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111038420 1211817354 /nfs/dbraw/zinc/81/73/54/1211817354.db2.gz AFMOIYBFEXFINL-MKXGPGLRSA-N 2 1 363.502 0.859 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001111038420 1211817355 /nfs/dbraw/zinc/81/73/55/1211817355.db2.gz AFMOIYBFEXFINL-MKXGPGLRSA-N 2 1 363.502 0.859 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001221773006 1225477301 /nfs/dbraw/zinc/47/73/01/1225477301.db2.gz VBNVDUQQXPAKOB-IXDOHACOSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001221773006 1225477304 /nfs/dbraw/zinc/47/73/04/1225477304.db2.gz VBNVDUQQXPAKOB-IXDOHACOSA-N 2 1 360.502 0.648 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968080592 1215281635 /nfs/dbraw/zinc/28/16/35/1215281635.db2.gz OXGZQOPKIJZKIQ-NXHRZFHOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968080592 1215281638 /nfs/dbraw/zinc/28/16/38/1215281638.db2.gz OXGZQOPKIJZKIQ-NXHRZFHOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968080592 1215281641 /nfs/dbraw/zinc/28/16/41/1215281641.db2.gz OXGZQOPKIJZKIQ-NXHRZFHOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)C1CN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968080592 1215281644 /nfs/dbraw/zinc/28/16/44/1215281644.db2.gz OXGZQOPKIJZKIQ-NXHRZFHOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045902 1225589039 /nfs/dbraw/zinc/58/90/39/1225589039.db2.gz WHSBAGZFGNNZER-KZNAEPCWSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001222045902 1225589042 /nfs/dbraw/zinc/58/90/42/1225589042.db2.gz WHSBAGZFGNNZER-KZNAEPCWSA-N 2 1 360.502 0.533 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001222715304 1225646788 /nfs/dbraw/zinc/64/67/88/1225646788.db2.gz IYCAGZPAHQXFFD-XDNAFOTISA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001222715304 1225646790 /nfs/dbraw/zinc/64/67/90/1225646790.db2.gz IYCAGZPAHQXFFD-XDNAFOTISA-N 2 1 362.518 0.942 20 30 FCEDMP C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043306 1216492996 /nfs/dbraw/zinc/49/29/96/1216492996.db2.gz UOLJJLCPGFNSMN-CEXWTWQISA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043306 1216492999 /nfs/dbraw/zinc/49/29/99/1216492999.db2.gz UOLJJLCPGFNSMN-CEXWTWQISA-N 2 1 364.534 0.890 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006256 1216894076 /nfs/dbraw/zinc/89/40/76/1216894076.db2.gz MFZYDDHFLHMANS-KURKYZTESA-N 2 1 358.490 0.765 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006256 1216894077 /nfs/dbraw/zinc/89/40/77/1216894077.db2.gz MFZYDDHFLHMANS-KURKYZTESA-N 2 1 358.490 0.765 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006256 1216894079 /nfs/dbraw/zinc/89/40/79/1216894079.db2.gz MFZYDDHFLHMANS-KURKYZTESA-N 2 1 358.490 0.765 20 30 FCEDMP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224227427 1225766192 /nfs/dbraw/zinc/76/61/92/1225766192.db2.gz KOSFAYXQEMBUMQ-SJORKVTESA-N 2 1 361.490 0.425 20 30 FCEDMP N#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224227427 1225766196 /nfs/dbraw/zinc/76/61/96/1225766196.db2.gz KOSFAYXQEMBUMQ-SJORKVTESA-N 2 1 361.490 0.425 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(CC)CC)CC1 ZINC001111455005 1218846751 /nfs/dbraw/zinc/84/67/51/1218846751.db2.gz HSKMYJRUNGXFKJ-QRVBRYPASA-N 2 1 374.529 0.922 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(CC)CC)CC1 ZINC001111455005 1218846753 /nfs/dbraw/zinc/84/67/53/1218846753.db2.gz HSKMYJRUNGXFKJ-QRVBRYPASA-N 2 1 374.529 0.922 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001226781902 1225854039 /nfs/dbraw/zinc/85/40/39/1225854039.db2.gz FKGRINYYPFLWRD-KZNAEPCWSA-N 2 1 361.490 0.480 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)C ZINC001226853265 1225855954 /nfs/dbraw/zinc/85/59/54/1225855954.db2.gz GJIBZVQLGKJOGT-KURKYZTESA-N 2 1 362.518 0.873 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(C)C ZINC001226853265 1225855956 /nfs/dbraw/zinc/85/59/56/1225855956.db2.gz GJIBZVQLGKJOGT-KURKYZTESA-N 2 1 362.518 0.873 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001070378600 1219405523 /nfs/dbraw/zinc/40/55/23/1219405523.db2.gz XSYCRDFFIGMZQE-VPWXQRGCSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CC2)C1 ZINC001070502191 1219441858 /nfs/dbraw/zinc/44/18/58/1219441858.db2.gz AZXJXZFVVQPKQF-UHOSZYNNSA-N 2 1 355.486 0.812 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC2CC2)C1 ZINC001070502191 1219441859 /nfs/dbraw/zinc/44/18/59/1219441859.db2.gz AZXJXZFVVQPKQF-UHOSZYNNSA-N 2 1 355.486 0.812 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)NC2CC2)CC1 ZINC001098460413 1219786831 /nfs/dbraw/zinc/78/68/31/1219786831.db2.gz BRWZVKZXMPXXGH-AXUOBQJMSA-N 2 1 372.513 0.720 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)NC2CC2)CC1 ZINC001098460413 1219786835 /nfs/dbraw/zinc/78/68/35/1219786835.db2.gz BRWZVKZXMPXXGH-AXUOBQJMSA-N 2 1 372.513 0.720 20 30 FCEDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC001277297088 1225919529 /nfs/dbraw/zinc/91/95/29/1225919529.db2.gz MCZCTDCXYTXZLK-LJQANCHMSA-N 2 1 357.458 0.566 20 30 FCEDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC001277297088 1225919532 /nfs/dbraw/zinc/91/95/32/1225919532.db2.gz MCZCTDCXYTXZLK-LJQANCHMSA-N 2 1 357.458 0.566 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001098946781 1219871851 /nfs/dbraw/zinc/87/18/51/1219871851.db2.gz ZCVRJYOTLIWMKY-ZWOKBUDYSA-N 2 1 371.485 0.949 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001098946781 1219871853 /nfs/dbraw/zinc/87/18/53/1219871853.db2.gz ZCVRJYOTLIWMKY-ZWOKBUDYSA-N 2 1 371.485 0.949 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001101257936 1220251348 /nfs/dbraw/zinc/25/13/48/1220251348.db2.gz UKYPCKHHESIVCN-UWVAXJGDSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101257936 1220251355 /nfs/dbraw/zinc/25/13/55/1220251355.db2.gz UKYPCKHHESIVCN-UWVAXJGDSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101257936 1220251362 /nfs/dbraw/zinc/25/13/62/1220251362.db2.gz UKYPCKHHESIVCN-UWVAXJGDSA-N 2 1 362.518 0.943 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268459 1220256140 /nfs/dbraw/zinc/25/61/40/1220256140.db2.gz BXYYHJJBQOUUNL-QINHECLXSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268459 1220256143 /nfs/dbraw/zinc/25/61/43/1220256143.db2.gz BXYYHJJBQOUUNL-QINHECLXSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268459 1220256146 /nfs/dbraw/zinc/25/61/46/1220256146.db2.gz BXYYHJJBQOUUNL-QINHECLXSA-N 2 1 360.502 0.389 20 30 FCEDMP CC1(C)CC[N@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101365611 1220304356 /nfs/dbraw/zinc/30/43/56/1220304356.db2.gz AHOBVTNOUMXUGN-BEFAXECRSA-N 2 1 361.490 0.138 20 30 FCEDMP CC1(C)CC[N@@H+](CC(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101365611 1220304359 /nfs/dbraw/zinc/30/43/59/1220304359.db2.gz AHOBVTNOUMXUGN-BEFAXECRSA-N 2 1 361.490 0.138 20 30 FCEDMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101365611 1220304363 /nfs/dbraw/zinc/30/43/63/1220304363.db2.gz AHOBVTNOUMXUGN-BEFAXECRSA-N 2 1 361.490 0.138 20 30 FCEDMP CC1(C)CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)C1 ZINC001101365611 1220304367 /nfs/dbraw/zinc/30/43/67/1220304367.db2.gz AHOBVTNOUMXUGN-BEFAXECRSA-N 2 1 361.490 0.138 20 30 FCEDMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101474303 1220366883 /nfs/dbraw/zinc/36/68/83/1220366883.db2.gz RWOPROOKOLBRGI-APWZRJJASA-N 2 1 361.490 0.282 20 30 FCEDMP C[C@]12CN(C(=O)CC[NH+]3CCCCC3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101474303 1220366885 /nfs/dbraw/zinc/36/68/85/1220366885.db2.gz RWOPROOKOLBRGI-APWZRJJASA-N 2 1 361.490 0.282 20 30 FCEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102040434 1220472827 /nfs/dbraw/zinc/47/28/27/1220472827.db2.gz JJMKDHBYKFXOIU-BRWVUGGUSA-N 2 1 363.506 0.288 20 30 FCEDMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102040434 1220472829 /nfs/dbraw/zinc/47/28/29/1220472829.db2.gz JJMKDHBYKFXOIU-BRWVUGGUSA-N 2 1 363.506 0.288 20 30 FCEDMP CC(C)C[NH+]1CC[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102040434 1220472831 /nfs/dbraw/zinc/47/28/31/1220472831.db2.gz JJMKDHBYKFXOIU-BRWVUGGUSA-N 2 1 363.506 0.288 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102044989 1220475723 /nfs/dbraw/zinc/47/57/23/1220475723.db2.gz NCMKBTSRNVZRPN-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044989 1220475729 /nfs/dbraw/zinc/47/57/29/1220475729.db2.gz NCMKBTSRNVZRPN-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044989 1220475730 /nfs/dbraw/zinc/47/57/30/1220475730.db2.gz NCMKBTSRNVZRPN-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171207 1220533955 /nfs/dbraw/zinc/53/39/55/1220533955.db2.gz LXMIAZIKHLOJGF-MJQPBPLVSA-N 2 1 361.486 0.184 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171207 1220533958 /nfs/dbraw/zinc/53/39/58/1220533958.db2.gz LXMIAZIKHLOJGF-MJQPBPLVSA-N 2 1 361.486 0.184 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171207 1220533963 /nfs/dbraw/zinc/53/39/63/1220533963.db2.gz LXMIAZIKHLOJGF-MJQPBPLVSA-N 2 1 361.486 0.184 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466396 1220636633 /nfs/dbraw/zinc/63/66/33/1220636633.db2.gz MTHNEOUOZGAFJC-NVXWUHKLSA-N 2 1 359.474 0.405 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466396 1220636638 /nfs/dbraw/zinc/63/66/38/1220636638.db2.gz MTHNEOUOZGAFJC-NVXWUHKLSA-N 2 1 359.474 0.405 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579961 1220701289 /nfs/dbraw/zinc/70/12/89/1220701289.db2.gz ZEDCIYFYYKMTIJ-IAGOWNOFSA-N 2 1 363.506 0.528 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600190 1220720755 /nfs/dbraw/zinc/72/07/55/1220720755.db2.gz RMJWVARGXNZCMK-POAQFYNOSA-N 2 1 370.497 0.723 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC001102600190 1220720760 /nfs/dbraw/zinc/72/07/60/1220720760.db2.gz RMJWVARGXNZCMK-POAQFYNOSA-N 2 1 370.497 0.723 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001103060312 1220826284 /nfs/dbraw/zinc/82/62/84/1220826284.db2.gz FWSRRLIEIDWWJV-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060312 1220826286 /nfs/dbraw/zinc/82/62/86/1220826286.db2.gz FWSRRLIEIDWWJV-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001103060312 1220826287 /nfs/dbraw/zinc/82/62/87/1220826287.db2.gz FWSRRLIEIDWWJV-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](Cc2cnnn2C)C[C@H]1C ZINC001103098696 1220832942 /nfs/dbraw/zinc/83/29/42/1220832942.db2.gz FRGZVPAMSPIAHQ-NUJGCVRESA-N 2 1 358.490 0.487 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](Cc2cnnn2C)C[C@H]1C ZINC001103098696 1220832943 /nfs/dbraw/zinc/83/29/43/1220832943.db2.gz FRGZVPAMSPIAHQ-NUJGCVRESA-N 2 1 358.490 0.487 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1C ZINC001103098696 1220832944 /nfs/dbraw/zinc/83/29/44/1220832944.db2.gz FRGZVPAMSPIAHQ-NUJGCVRESA-N 2 1 358.490 0.487 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](Cc2cnnn2C)C[C@H]1C ZINC001103098696 1220832945 /nfs/dbraw/zinc/83/29/45/1220832945.db2.gz FRGZVPAMSPIAHQ-NUJGCVRESA-N 2 1 358.490 0.487 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001103308840 1220864511 /nfs/dbraw/zinc/86/45/11/1220864511.db2.gz IUNIZJVQYPZYRQ-IAGOWNOFSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001103751910 1220964451 /nfs/dbraw/zinc/96/44/51/1220964451.db2.gz YLIPCNBGDCESPH-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111782530 1221105885 /nfs/dbraw/zinc/10/58/85/1221105885.db2.gz MWIBZNVTQDXDEA-FCEWJHQRSA-N 2 1 361.490 0.471 20 30 FCEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111782530 1221105890 /nfs/dbraw/zinc/10/58/90/1221105890.db2.gz MWIBZNVTQDXDEA-FCEWJHQRSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111782530 1221105895 /nfs/dbraw/zinc/10/58/95/1221105895.db2.gz MWIBZNVTQDXDEA-FCEWJHQRSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111782530 1221105899 /nfs/dbraw/zinc/10/58/99/1221105899.db2.gz MWIBZNVTQDXDEA-FCEWJHQRSA-N 2 1 361.490 0.471 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111861093 1221140500 /nfs/dbraw/zinc/14/05/00/1221140500.db2.gz TXRVBZPIAWUDFD-KNBMTAEXSA-N 2 1 360.502 0.437 20 30 FCEDMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC001120604840 1222108579 /nfs/dbraw/zinc/10/85/79/1222108579.db2.gz XFHXJKOBBWYMLB-ROUUACIJSA-N 2 1 360.458 0.360 20 30 FCEDMP CCC[NH+]=C(NCC1(O)CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001120855490 1222125601 /nfs/dbraw/zinc/12/56/01/1222125601.db2.gz MPKROXCRAHWUNX-KRWDZBQOSA-N 2 1 368.522 0.538 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[C@@H](C[NH+]4CCOCC4)C3)n2C)CC1 ZINC001121421894 1222176671 /nfs/dbraw/zinc/17/66/71/1222176671.db2.gz BYVUIWZWSGFJRG-KRWDZBQOSA-N 2 1 372.517 0.786 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001207538492 1223452882 /nfs/dbraw/zinc/45/28/82/1223452882.db2.gz NOWPRXKPRVIOSR-HZPDHXFCSA-N 2 1 363.506 0.669 20 30 FCEDMP C[NH+]1CCN(CCC[N@H+]2CC[C@@]3(C2)CN(CCCC#N)C(=O)CO3)CC1 ZINC001276629900 1223608271 /nfs/dbraw/zinc/60/82/71/1223608271.db2.gz CGXMGYCNEBFSMS-LJQANCHMSA-N 2 1 363.506 0.231 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179122 1223672643 /nfs/dbraw/zinc/67/26/43/1223672643.db2.gz IKJRBZUSHYNFGT-CRAIPNDOSA-N 2 1 362.518 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179122 1223672648 /nfs/dbraw/zinc/67/26/48/1223672648.db2.gz IKJRBZUSHYNFGT-CRAIPNDOSA-N 2 1 362.518 0.847 20 30 FCEDMP C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001211447808 1223742867 /nfs/dbraw/zinc/74/28/67/1223742867.db2.gz ISTYDDIRDQYYLU-NVXWUHKLSA-N 2 1 357.458 0.195 20 30 FCEDMP C[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001211447808 1223742868 /nfs/dbraw/zinc/74/28/68/1223742868.db2.gz ISTYDDIRDQYYLU-NVXWUHKLSA-N 2 1 357.458 0.195 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969512 1223960690 /nfs/dbraw/zinc/96/06/90/1223960690.db2.gz UDHINVHIDGHMEY-ZACQAIPSSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215544412 1224005559 /nfs/dbraw/zinc/00/55/59/1224005559.db2.gz TWWKQEIZAMIVFR-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215544413 1224005598 /nfs/dbraw/zinc/00/55/98/1224005598.db2.gz TWWKQEIZAMIVFR-GVDBMIGSSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C1 ZINC000923575302 1245730717 /nfs/dbraw/zinc/73/07/17/1245730717.db2.gz MTQFJONHCLHJSM-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000923575302 1245730725 /nfs/dbraw/zinc/73/07/25/1245730725.db2.gz MTQFJONHCLHJSM-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)C1 ZINC000923575302 1245730732 /nfs/dbraw/zinc/73/07/32/1245730732.db2.gz MTQFJONHCLHJSM-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)C1 ZINC000923575302 1245730734 /nfs/dbraw/zinc/73/07/34/1245730734.db2.gz MTQFJONHCLHJSM-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000940761748 1246380289 /nfs/dbraw/zinc/38/02/89/1246380289.db2.gz ZOVLDOOGEPTDHW-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@H]2O)CC1 ZINC001078228167 1255343466 /nfs/dbraw/zinc/34/34/66/1255343466.db2.gz GGPGUCWCVFMZSU-RTBURBONSA-N 2 1 356.470 0.397 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@H]2O)CC1 ZINC001078228167 1255343471 /nfs/dbraw/zinc/34/34/71/1255343471.db2.gz GGPGUCWCVFMZSU-RTBURBONSA-N 2 1 356.470 0.397 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCn3cncn3)[C@H]2C1 ZINC001084961115 1258472402 /nfs/dbraw/zinc/47/24/02/1258472402.db2.gz LQOGOPARTULLFK-SQNIBIBYSA-N 2 1 356.474 0.299 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCn3cncn3)[C@H]2C1 ZINC001084961115 1258472407 /nfs/dbraw/zinc/47/24/07/1258472407.db2.gz LQOGOPARTULLFK-SQNIBIBYSA-N 2 1 356.474 0.299 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCn3cncn3)[C@H]2C1 ZINC001084961115 1258472412 /nfs/dbraw/zinc/47/24/12/1258472412.db2.gz LQOGOPARTULLFK-SQNIBIBYSA-N 2 1 356.474 0.299 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCn3cncn3)[C@H]2C1 ZINC001084961115 1258472418 /nfs/dbraw/zinc/47/24/18/1258472418.db2.gz LQOGOPARTULLFK-SQNIBIBYSA-N 2 1 356.474 0.299 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)C[C@@H]32)C1=O ZINC001085093795 1258588169 /nfs/dbraw/zinc/58/81/69/1258588169.db2.gz CYJIWLLNDJJDOO-KSZLIROESA-N 2 1 371.485 0.901 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)C[C@@H]32)C1=O ZINC001085093795 1258588174 /nfs/dbraw/zinc/58/81/74/1258588174.db2.gz CYJIWLLNDJJDOO-KSZLIROESA-N 2 1 371.485 0.901 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](C)C(=O)NC)CC[C@@H]3C2)CC1 ZINC001088212101 1258734010 /nfs/dbraw/zinc/73/40/10/1258734010.db2.gz PRTPJXQJUJPRFL-NXHRZFHOSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](CC)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088212087 1258734253 /nfs/dbraw/zinc/73/42/53/1258734253.db2.gz OLFGOJFVSFIMLZ-SQNIBIBYSA-N 2 1 360.502 0.376 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](CCn4cncn4)CC[C@@H]3C2)CC1 ZINC001088212055 1258734493 /nfs/dbraw/zinc/73/44/93/1258734493.db2.gz MPXZZCXXUDHLDF-MOPGFXCFSA-N 2 1 370.501 0.404 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981605 1259010512 /nfs/dbraw/zinc/01/05/12/1259010512.db2.gz WTNAYLMIDRPMBN-FGTMMUONSA-N 2 1 362.518 0.823 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001107039743 1259022958 /nfs/dbraw/zinc/02/29/58/1259022958.db2.gz WTFCKYOOVGAIOE-POAQFYNOSA-N 2 1 370.497 0.723 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001107621134 1259135919 /nfs/dbraw/zinc/13/59/19/1259135919.db2.gz JUVXGIGNZKSURX-VQIMIIECSA-N 2 1 357.458 0.371 20 30 FCEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001251839947 1259764739 /nfs/dbraw/zinc/76/47/39/1259764739.db2.gz KGLJRGFAMZLTID-IPMKNSEASA-N 2 1 363.502 0.404 20 30 FCEDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnn4ccc(C#N)cc34)C[C@H]21 ZINC001279952691 1260972909 /nfs/dbraw/zinc/97/29/09/1260972909.db2.gz QQNPJRKDRZJEJX-MOPGFXCFSA-N 2 1 354.458 0.653 20 30 FCEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnn4ccc(C#N)cc34)C[C@H]21 ZINC001279952691 1260972913 /nfs/dbraw/zinc/97/29/13/1260972913.db2.gz QQNPJRKDRZJEJX-MOPGFXCFSA-N 2 1 354.458 0.653 20 30 FCEDMP C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCc2c[nH]nn2)CC1 ZINC001574894728 1271656701 /nfs/dbraw/zinc/65/67/01/1271656701.db2.gz FVVYGBWEXBBSOW-UHFFFAOYSA-N 2 1 358.490 0.615 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCc3c[nH]nn3)CC2)CC1 ZINC001574967852 1271685962 /nfs/dbraw/zinc/68/59/62/1271685962.db2.gz YETIRPXPZODFSZ-UHFFFAOYSA-N 2 1 358.490 0.663 20 30 FCEDMP Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001579910630 1277959053 /nfs/dbraw/zinc/95/90/53/1277959053.db2.gz QRYTWUQKTOLCCV-KRWDZBQOSA-N 2 1 360.510 0.434 20 30 FCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)C2 ZINC001580041639 1277997902 /nfs/dbraw/zinc/99/79/02/1277997902.db2.gz FYLCEZYZVZGOPH-PPKXHPOVSA-N 2 1 359.474 0.066 20 30 FCEDMP C=CCNC(=O)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001692011239 1289361370 /nfs/dbraw/zinc/36/13/70/1289361370.db2.gz KRWHYSCEMZIXAZ-NVXWUHKLSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001692011239 1289361379 /nfs/dbraw/zinc/36/13/79/1289361379.db2.gz KRWHYSCEMZIXAZ-NVXWUHKLSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001692011239 1289361390 /nfs/dbraw/zinc/36/13/90/1289361390.db2.gz KRWHYSCEMZIXAZ-NVXWUHKLSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101284349 844134236 /nfs/dbraw/zinc/13/42/36/844134236.db2.gz ZQVRZVRKHHRXJK-BEFAXECRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284349 844134240 /nfs/dbraw/zinc/13/42/40/844134240.db2.gz ZQVRZVRKHHRXJK-BEFAXECRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101284349 844134243 /nfs/dbraw/zinc/13/42/43/844134243.db2.gz ZQVRZVRKHHRXJK-BEFAXECRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015996 844374945 /nfs/dbraw/zinc/37/49/45/844374945.db2.gz XSTBQMPCFFVGDS-BZUAXINKSA-N 2 1 356.486 0.653 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)CC)[C@H](C)C1 ZINC001102101222 844414911 /nfs/dbraw/zinc/41/49/11/844414911.db2.gz SJNIYSQKKCJOFE-BZUAXINKSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102101222 844414916 /nfs/dbraw/zinc/41/49/16/844414916.db2.gz SJNIYSQKKCJOFE-BZUAXINKSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)CC)[C@H](C)C1 ZINC001102101222 844414923 /nfs/dbraw/zinc/41/49/23/844414923.db2.gz SJNIYSQKKCJOFE-BZUAXINKSA-N 2 1 350.507 0.539 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102314328 844464259 /nfs/dbraw/zinc/46/42/59/844464259.db2.gz BGUBWHDRMBNAOI-HZPDHXFCSA-N 2 1 351.495 0.384 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596124 844587603 /nfs/dbraw/zinc/58/76/03/844587603.db2.gz OSIOXUMKAWEOIR-IAGOWNOFSA-N 2 1 350.507 0.849 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111980 844703259 /nfs/dbraw/zinc/70/32/59/844703259.db2.gz YNNINUYVQPUFAH-NUJGCVRESA-N 2 1 350.507 0.396 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103740426 844813786 /nfs/dbraw/zinc/81/37/86/844813786.db2.gz HIEJJQDPZKZGBA-KZNAEPCWSA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740426 844813787 /nfs/dbraw/zinc/81/37/87/844813787.db2.gz HIEJJQDPZKZGBA-KZNAEPCWSA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740426 844813789 /nfs/dbraw/zinc/81/37/89/844813789.db2.gz HIEJJQDPZKZGBA-KZNAEPCWSA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103740426 844813791 /nfs/dbraw/zinc/81/37/91/844813791.db2.gz HIEJJQDPZKZGBA-KZNAEPCWSA-N 2 1 353.507 0.984 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112167348 846431107 /nfs/dbraw/zinc/43/11/07/846431107.db2.gz LBHWOJLKDFTPER-UPJWGTAASA-N 2 1 362.396 0.055 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129406871 848841552 /nfs/dbraw/zinc/84/15/52/848841552.db2.gz BFICMIWUXRVIKZ-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129406871 848841561 /nfs/dbraw/zinc/84/15/61/848841561.db2.gz BFICMIWUXRVIKZ-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129406871 848841571 /nfs/dbraw/zinc/84/15/71/848841571.db2.gz BFICMIWUXRVIKZ-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129406871 848841578 /nfs/dbraw/zinc/84/15/78/848841578.db2.gz BFICMIWUXRVIKZ-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC001130221150 848978902 /nfs/dbraw/zinc/97/89/02/848978902.db2.gz WZANCMRXLNTMJI-MJBXVCDLSA-N 2 1 350.467 0.409 20 30 FCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277713545 862027276 /nfs/dbraw/zinc/02/72/76/862027276.db2.gz VMNSSXZWPSUYTA-MJGOQNOKSA-N 2 1 351.491 0.263 20 30 FCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001157977796 850009215 /nfs/dbraw/zinc/00/92/15/850009215.db2.gz JGHUONGCLIDPJG-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001157977796 850009222 /nfs/dbraw/zinc/00/92/22/850009222.db2.gz JGHUONGCLIDPJG-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157977796 850009225 /nfs/dbraw/zinc/00/92/25/850009225.db2.gz JGHUONGCLIDPJG-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001157977796 850009229 /nfs/dbraw/zinc/00/92/29/850009229.db2.gz JGHUONGCLIDPJG-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCCC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001170878783 850669876 /nfs/dbraw/zinc/66/98/76/850669876.db2.gz QRFJJCMRMTUOQT-HRCADAONSA-N 2 1 351.495 0.621 20 30 FCEDMP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884322 851139243 /nfs/dbraw/zinc/13/92/43/851139243.db2.gz FNEBTKHLQLBLFR-YWTNHNAXSA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH2+]C[C@]1(C)CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001181884322 851139247 /nfs/dbraw/zinc/13/92/47/851139247.db2.gz FNEBTKHLQLBLFR-YWTNHNAXSA-N 2 1 351.491 0.430 20 30 FCEDMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1C)[NH+](C)C ZINC001208699798 853967442 /nfs/dbraw/zinc/96/74/42/853967442.db2.gz UMYQXVBQGGJUOP-OAGGEKHMSA-N 2 1 351.495 0.525 20 30 FCEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C)[NH+](C)C ZINC001208699798 853967446 /nfs/dbraw/zinc/96/74/46/853967446.db2.gz UMYQXVBQGGJUOP-OAGGEKHMSA-N 2 1 351.495 0.525 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211326505 854176891 /nfs/dbraw/zinc/17/68/91/854176891.db2.gz QPMXCMMUYBYHLM-BRWVUGGUSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211326505 854176896 /nfs/dbraw/zinc/17/68/96/854176896.db2.gz QPMXCMMUYBYHLM-BRWVUGGUSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213793 854535113 /nfs/dbraw/zinc/53/51/13/854535113.db2.gz RYDDFVVXHPCYJE-KURKYZTESA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213793 854535114 /nfs/dbraw/zinc/53/51/14/854535114.db2.gz RYDDFVVXHPCYJE-KURKYZTESA-N 2 1 351.491 0.879 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754197 855233231 /nfs/dbraw/zinc/23/32/31/855233231.db2.gz KLQJJRPFUDJISM-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359449 856082189 /nfs/dbraw/zinc/08/21/89/856082189.db2.gz NCVFYGLFFVIDNG-RVKKMQEKSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359449 856082193 /nfs/dbraw/zinc/08/21/93/856082193.db2.gz NCVFYGLFFVIDNG-RVKKMQEKSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359449 856082198 /nfs/dbraw/zinc/08/21/98/856082198.db2.gz NCVFYGLFFVIDNG-RVKKMQEKSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)[C@@H](O)C1 ZINC001220359449 856082203 /nfs/dbraw/zinc/08/22/03/856082203.db2.gz NCVFYGLFFVIDNG-RVKKMQEKSA-N 2 1 357.470 0.563 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789150 856684171 /nfs/dbraw/zinc/68/41/71/856684171.db2.gz HVNHIPIKWYFABY-IAGOWNOFSA-N 2 1 350.507 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221789150 856684181 /nfs/dbraw/zinc/68/41/81/856684181.db2.gz HVNHIPIKWYFABY-IAGOWNOFSA-N 2 1 350.507 0.895 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223249902 856905070 /nfs/dbraw/zinc/90/50/70/856905070.db2.gz QXWCXALVWBGTHX-BFYDXBDKSA-N 2 1 350.507 0.846 20 30 FCEDMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@@H+]([C@H]1CCN[C@H](C#N)C1)C2 ZINC001246671508 857589184 /nfs/dbraw/zinc/58/91/84/857589184.db2.gz SFZQSZGJQMARQF-DDHJSBNISA-N 2 1 360.380 0.648 20 30 FCEDMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@H+]([C@H]1CCN[C@H](C#N)C1)C2 ZINC001246671508 857589193 /nfs/dbraw/zinc/58/91/93/857589193.db2.gz SFZQSZGJQMARQF-DDHJSBNISA-N 2 1 360.380 0.648 20 30 FCEDMP C#CCOC[C@@H](O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001251845088 857760920 /nfs/dbraw/zinc/76/09/20/857760920.db2.gz YZDRMUVYUAIRDK-INIZCTEOSA-N 2 1 350.463 0.178 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000419854535 246323915 /nfs/dbraw/zinc/32/39/15/246323915.db2.gz BRKAWJMWWOAVSA-GOSISDBHSA-N 2 1 369.469 0.446 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000419854535 246323921 /nfs/dbraw/zinc/32/39/21/246323921.db2.gz BRKAWJMWWOAVSA-GOSISDBHSA-N 2 1 369.469 0.446 20 30 FCEDMP N#CCCC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000424158649 247174019 /nfs/dbraw/zinc/17/40/19/247174019.db2.gz RNMJFAVKRZEKQX-KRWDZBQOSA-N 2 1 357.458 0.468 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000264077988 229320181 /nfs/dbraw/zinc/32/01/81/229320181.db2.gz GIBBZYGJBVDTCP-UHFFFAOYSA-N 2 1 361.490 0.650 20 30 FCEDMP CS(=O)(=O)Cc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264118574 229323021 /nfs/dbraw/zinc/32/30/21/229323021.db2.gz UBDJKWYTVYTGAH-UHFFFAOYSA-N 2 1 368.503 0.358 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H](O)COc1ccc(F)cc1 ZINC000264130609 229326303 /nfs/dbraw/zinc/32/63/03/229326303.db2.gz XWAWQYWCXZUGIC-HNNXBMFYSA-N 2 1 354.426 0.192 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171100989 488819659 /nfs/dbraw/zinc/81/96/59/488819659.db2.gz JTKXTGXIIUGHSE-MRXNPFEDSA-N 2 1 365.503 0.990 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@H](C)C1 ZINC000329233215 488983269 /nfs/dbraw/zinc/98/32/69/488983269.db2.gz GRUWOMQRZKBGPP-SJORKVTESA-N 2 1 368.522 0.932 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000296456456 489197983 /nfs/dbraw/zinc/19/79/83/489197983.db2.gz UZHGGEFQKZHTLV-UHFFFAOYSA-N 2 1 358.490 0.588 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420057915 489896953 /nfs/dbraw/zinc/89/69/53/489896953.db2.gz ICXSGPCHRNWMHB-SFHVURJKSA-N 2 1 369.469 0.446 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420057915 489896956 /nfs/dbraw/zinc/89/69/56/489896956.db2.gz ICXSGPCHRNWMHB-SFHVURJKSA-N 2 1 369.469 0.446 20 30 FCEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000532098404 490986833 /nfs/dbraw/zinc/98/68/33/490986833.db2.gz ZQSYBVRVZXFOPN-GOSISDBHSA-N 2 1 360.506 0.743 20 30 FCEDMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000532098404 490986836 /nfs/dbraw/zinc/98/68/36/490986836.db2.gz ZQSYBVRVZXFOPN-GOSISDBHSA-N 2 1 360.506 0.743 20 30 FCEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)CC1 ZINC000589416064 491761602 /nfs/dbraw/zinc/76/16/02/491761602.db2.gz HSYBTEQMWAWPMO-OAHLLOKOSA-N 2 1 373.432 0.921 20 30 FCEDMP O=C1CC[C@@H]2C[N@@H+](CC#CC[NH+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661602097 493451404 /nfs/dbraw/zinc/45/14/04/493451404.db2.gz PYGJQZCJOSLONC-TVFCKZIOSA-N 2 1 358.486 0.191 20 30 FCEDMP O=C1CC[C@@H]2C[NH+](CC#CC[N@@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661602097 493451408 /nfs/dbraw/zinc/45/14/08/493451408.db2.gz PYGJQZCJOSLONC-TVFCKZIOSA-N 2 1 358.486 0.191 20 30 FCEDMP O=C1CC[C@@H]2C[NH+](CC#CC[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@H]2N1 ZINC000661602097 493451411 /nfs/dbraw/zinc/45/14/11/493451411.db2.gz PYGJQZCJOSLONC-TVFCKZIOSA-N 2 1 358.486 0.191 20 30 FCEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261843871 526388762 /nfs/dbraw/zinc/38/87/62/526388762.db2.gz WONXEIHHZMYZLZ-OAHLLOKOSA-N 2 1 363.510 0.216 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(N[C@@H]2C[C@](C)(OC)C2(C)C)=[NH+]C)CC1 ZINC000262441777 526394645 /nfs/dbraw/zinc/39/46/45/526394645.db2.gz UQRJAEGAZCGYNS-KDOFPFPSSA-N 2 1 353.511 0.565 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261977299 528811394 /nfs/dbraw/zinc/81/13/94/528811394.db2.gz NXXCGJRZXSBBFO-KSZLIROESA-N 2 1 361.538 0.977 20 30 FCEDMP CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261652998 528820204 /nfs/dbraw/zinc/82/02/04/528820204.db2.gz FFDMQWPVPQYORO-HNNXBMFYSA-N 2 1 361.494 0.344 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264118557 529074428 /nfs/dbraw/zinc/07/44/28/529074428.db2.gz UAGJHASHWLXENU-OAHLLOKOSA-N 2 1 367.519 0.826 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000264072912 529100964 /nfs/dbraw/zinc/10/09/64/529100964.db2.gz DPLAVQWFOTWZHL-SFHVURJKSA-N 3 1 374.533 0.867 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccccc1 ZINC000303775775 674571267 /nfs/dbraw/zinc/57/12/67/674571267.db2.gz HBOVLLZIUVBQLZ-CQSZACIVSA-N 2 1 353.492 0.354 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000838623151 667946207 /nfs/dbraw/zinc/94/62/07/667946207.db2.gz ROIMJFABGMMJTA-UHFFFAOYSA-N 2 1 351.495 0.137 20 30 FCEDMP C#CCC1([NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCOCC1 ZINC000887125828 673622594 /nfs/dbraw/zinc/62/25/94/673622594.db2.gz LOHPDHJBWFCXDS-KRWDZBQOSA-N 2 1 351.491 0.622 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC1 ZINC000930008810 673992085 /nfs/dbraw/zinc/99/20/85/673992085.db2.gz OVZKYTRFTCFBRU-UHFFFAOYSA-N 2 1 350.507 0.991 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C)CC1 ZINC000988506841 1192238508 /nfs/dbraw/zinc/23/85/08/1192238508.db2.gz QJIXDKILYHSUQX-NJAFHUGGSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470356 1167769039 /nfs/dbraw/zinc/76/90/39/1167769039.db2.gz JBUFDFJWDZHDKO-ZWOKBUDYSA-N 2 1 371.485 0.548 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nn2)C1 ZINC001104306289 1169873927 /nfs/dbraw/zinc/87/39/27/1169873927.db2.gz VUIHDPXYSQDYCH-NUJGCVRESA-N 2 1 358.490 0.487 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cn(C)nn2)C1 ZINC001104306289 1169873931 /nfs/dbraw/zinc/87/39/31/1169873931.db2.gz VUIHDPXYSQDYCH-NUJGCVRESA-N 2 1 358.490 0.487 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000989064711 1192669114 /nfs/dbraw/zinc/66/91/14/1192669114.db2.gz INWDPRCWQBTYNI-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000989064711 1192669117 /nfs/dbraw/zinc/66/91/17/1192669117.db2.gz INWDPRCWQBTYNI-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000989064711 1192669122 /nfs/dbraw/zinc/66/91/22/1192669122.db2.gz INWDPRCWQBTYNI-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000989064711 1192669125 /nfs/dbraw/zinc/66/91/25/1192669125.db2.gz INWDPRCWQBTYNI-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076206243 1194353672 /nfs/dbraw/zinc/35/36/72/1194353672.db2.gz FZZUJHVEDHQPIR-OKZBNKHCSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)C1=O ZINC001076206244 1194353717 /nfs/dbraw/zinc/35/37/17/1194353717.db2.gz FZZUJHVEDHQPIR-RCCFBDPRSA-N 2 1 360.502 0.648 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001076745945 1194976788 /nfs/dbraw/zinc/97/67/88/1194976788.db2.gz XNHOYTVIDYRTIN-LZLYRXPVSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCNC(=O)[C@H](C)N1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004497 1224285020 /nfs/dbraw/zinc/28/50/20/1224285020.db2.gz LWCKDRSUZJRKHT-YESZJQIVSA-N 2 1 366.506 0.321 20 30 FCEDMP C[NH+](C)CC#CCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000905151310 1195577632 /nfs/dbraw/zinc/57/76/32/1195577632.db2.gz LBNQLGMVLTXQHD-QGZVFWFLSA-N 2 1 357.458 0.823 20 30 FCEDMP C[NH+](C)CC#CCNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000905151310 1195577640 /nfs/dbraw/zinc/57/76/40/1195577640.db2.gz LBNQLGMVLTXQHD-QGZVFWFLSA-N 2 1 357.458 0.823 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCCCOC)C[C@@H]32)CC1 ZINC001219051004 1224319455 /nfs/dbraw/zinc/31/94/55/1224319455.db2.gz WTKPFYDSZNDWMU-RBUKOAKNSA-N 2 1 363.502 0.670 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321593 1197990696 /nfs/dbraw/zinc/99/06/96/1197990696.db2.gz MRRNSFDUZVARNX-SJORKVTESA-N 2 1 362.478 0.308 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129321593 1197990709 /nfs/dbraw/zinc/99/07/09/1197990709.db2.gz MRRNSFDUZVARNX-SJORKVTESA-N 2 1 362.478 0.308 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579417 1200819272 /nfs/dbraw/zinc/81/92/72/1200819272.db2.gz MVIYDQMPIPTHJW-KNBMTAEXSA-N 2 1 371.485 0.548 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114299039 1201292416 /nfs/dbraw/zinc/29/24/16/1201292416.db2.gz TZWGURZHEXFXBT-JLOCXQCDSA-N 2 1 361.490 0.135 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114299039 1201292421 /nfs/dbraw/zinc/29/24/21/1201292421.db2.gz TZWGURZHEXFXBT-JLOCXQCDSA-N 2 1 361.490 0.135 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114299039 1201292427 /nfs/dbraw/zinc/29/24/27/1201292427.db2.gz TZWGURZHEXFXBT-JLOCXQCDSA-N 2 1 361.490 0.135 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114299039 1201292432 /nfs/dbraw/zinc/29/24/32/1201292432.db2.gz TZWGURZHEXFXBT-JLOCXQCDSA-N 2 1 361.490 0.135 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896239 1201430318 /nfs/dbraw/zinc/43/03/18/1201430318.db2.gz VDSIMMXVAFWUAL-KURKYZTESA-N 2 1 358.490 0.621 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001130007245 1201476132 /nfs/dbraw/zinc/47/61/32/1201476132.db2.gz GIGYTEAYRPUZOG-JQHSSLGASA-N 2 1 367.457 0.410 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001130007655 1201477090 /nfs/dbraw/zinc/47/70/90/1201477090.db2.gz PCZJYKINWLDQSM-NXHRZFHOSA-N 2 1 367.457 0.410 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001130212947 1201544810 /nfs/dbraw/zinc/54/48/10/1201544810.db2.gz MFPQZJULLBNJTK-WCVJEAGWSA-N 2 1 374.489 0.247 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[nH]1 ZINC001130212947 1201544814 /nfs/dbraw/zinc/54/48/14/1201544814.db2.gz MFPQZJULLBNJTK-WCVJEAGWSA-N 2 1 374.489 0.247 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001130212947 1201544816 /nfs/dbraw/zinc/54/48/16/1201544816.db2.gz MFPQZJULLBNJTK-WCVJEAGWSA-N 2 1 374.489 0.247 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC001130237707 1201560820 /nfs/dbraw/zinc/56/08/20/1201560820.db2.gz AFHNGNRJIKAKND-KKUMJFAQSA-N 2 1 362.478 0.247 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CC)[nH]1 ZINC001130245307 1201565596 /nfs/dbraw/zinc/56/55/96/1201565596.db2.gz ZTEQXWAYHCVYJG-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@@H+](C)CC)n1 ZINC001130245307 1201565600 /nfs/dbraw/zinc/56/56/00/1201565600.db2.gz ZTEQXWAYHCVYJG-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@H+](C)CC)n1 ZINC001130245307 1201565607 /nfs/dbraw/zinc/56/56/07/1201565607.db2.gz ZTEQXWAYHCVYJG-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@@H+](C)CC)n[nH]1 ZINC001130245307 1201565611 /nfs/dbraw/zinc/56/56/11/1201565611.db2.gz ZTEQXWAYHCVYJG-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@H+](C)CC)n[nH]1 ZINC001130245307 1201565614 /nfs/dbraw/zinc/56/56/14/1201565614.db2.gz ZTEQXWAYHCVYJG-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130695230 1202757391 /nfs/dbraw/zinc/75/73/91/1202757391.db2.gz IATWCLPMOUGKMZ-FUHWJXTLSA-N 2 1 354.458 0.923 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001130783008 1202794727 /nfs/dbraw/zinc/79/47/27/1202794727.db2.gz KAFLZUQLNFCGNP-LXTVHRRPSA-N 2 1 362.478 0.757 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130783008 1202794730 /nfs/dbraw/zinc/79/47/30/1202794730.db2.gz KAFLZUQLNFCGNP-LXTVHRRPSA-N 2 1 362.478 0.757 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130783008 1202794732 /nfs/dbraw/zinc/79/47/32/1202794732.db2.gz KAFLZUQLNFCGNP-LXTVHRRPSA-N 2 1 362.478 0.757 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1 ZINC001131010451 1202844200 /nfs/dbraw/zinc/84/42/00/1202844200.db2.gz MINSKRHGRHIKIK-ZACQAIPSSA-N 2 1 361.465 0.761 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCCF)C1 ZINC001131010451 1202844203 /nfs/dbraw/zinc/84/42/03/1202844203.db2.gz MINSKRHGRHIKIK-ZACQAIPSSA-N 2 1 361.465 0.761 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001086720623 1203019788 /nfs/dbraw/zinc/01/97/88/1203019788.db2.gz GLHYDIWTJRXPBY-JZXOWHBKSA-N 2 1 371.485 0.957 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001086720623 1203019793 /nfs/dbraw/zinc/01/97/93/1203019793.db2.gz GLHYDIWTJRXPBY-JZXOWHBKSA-N 2 1 371.485 0.957 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000815860896 1203055916 /nfs/dbraw/zinc/05/59/16/1203055916.db2.gz GIMXFRABVKPVSD-UHFFFAOYSA-N 2 1 354.414 0.586 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000815860896 1203055920 /nfs/dbraw/zinc/05/59/20/1203055920.db2.gz GIMXFRABVKPVSD-UHFFFAOYSA-N 2 1 354.414 0.586 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387947 1224853155 /nfs/dbraw/zinc/85/31/55/1224853155.db2.gz WKKVRANHRVWUQA-WCIQWLHISA-N 2 1 373.497 0.696 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387947 1224853159 /nfs/dbraw/zinc/85/31/59/1224853159.db2.gz WKKVRANHRVWUQA-WCIQWLHISA-N 2 1 373.497 0.696 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001220387947 1224853161 /nfs/dbraw/zinc/85/31/61/1224853161.db2.gz WKKVRANHRVWUQA-WCIQWLHISA-N 2 1 373.497 0.696 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086988683 1204881893 /nfs/dbraw/zinc/88/18/93/1204881893.db2.gz MCLKXRYIDWKHBY-BPHHCGJSSA-N 2 1 371.485 0.353 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cnn(C)c1 ZINC001087002199 1204890332 /nfs/dbraw/zinc/89/03/32/1204890332.db2.gz MQNLMEYXRODIBR-ZWKOTPCHSA-N 2 1 361.490 0.603 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001092275853 1205222254 /nfs/dbraw/zinc/22/22/54/1205222254.db2.gz TYPHIKYBXLAADL-HLIPFELVSA-N 2 1 360.502 0.649 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(=O)N(C)C)C[C@@]3(C)C2)CC1 ZINC001092300335 1205233363 /nfs/dbraw/zinc/23/33/63/1205233363.db2.gz VMBFBXLENYGQFZ-XLIONFOSSA-N 2 1 360.502 0.200 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1 ZINC001093833182 1206126785 /nfs/dbraw/zinc/12/67/85/1206126785.db2.gz WWAWSZLGBSZMCW-NUJGCVRESA-N 2 1 358.490 0.580 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnn(CC)n2)[C@H](C)C1 ZINC001093833182 1206126790 /nfs/dbraw/zinc/12/67/90/1206126790.db2.gz WWAWSZLGBSZMCW-NUJGCVRESA-N 2 1 358.490 0.580 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1 ZINC001093832865 1206126816 /nfs/dbraw/zinc/12/68/16/1206126816.db2.gz DMCFIAPPWNZBEA-NUJGCVRESA-N 2 1 358.490 0.580 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cn(CC)nn2)[C@H](C)C1 ZINC001093832865 1206126819 /nfs/dbraw/zinc/12/68/19/1206126819.db2.gz DMCFIAPPWNZBEA-NUJGCVRESA-N 2 1 358.490 0.580 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001181517518 1206410878 /nfs/dbraw/zinc/41/08/78/1206410878.db2.gz HWYXYWHIYLJETO-YYAJDYIMSA-N 2 1 363.506 0.431 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183592765 1206457001 /nfs/dbraw/zinc/45/70/01/1206457001.db2.gz QZLHVIUKPYKZCR-BRWVUGGUSA-N 2 1 364.490 0.097 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183592765 1206457003 /nfs/dbraw/zinc/45/70/03/1206457003.db2.gz QZLHVIUKPYKZCR-BRWVUGGUSA-N 2 1 364.490 0.097 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189390444 1207539344 /nfs/dbraw/zinc/53/93/44/1207539344.db2.gz BONPGAIWOVQDBZ-FUHWJXTLSA-N 2 1 359.474 0.241 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189390444 1207539350 /nfs/dbraw/zinc/53/93/50/1207539350.db2.gz BONPGAIWOVQDBZ-FUHWJXTLSA-N 2 1 359.474 0.241 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001196314472 1208071787 /nfs/dbraw/zinc/07/17/87/1208071787.db2.gz WKKVRANHRVWUQA-IYWMVGAKSA-N 2 1 373.497 0.696 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196314472 1208071788 /nfs/dbraw/zinc/07/17/88/1208071788.db2.gz WKKVRANHRVWUQA-IYWMVGAKSA-N 2 1 373.497 0.696 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001196314472 1208071792 /nfs/dbraw/zinc/07/17/92/1208071792.db2.gz WKKVRANHRVWUQA-IYWMVGAKSA-N 2 1 373.497 0.696 20 30 FCEDMP C=CCNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001197000358 1208128326 /nfs/dbraw/zinc/12/83/26/1208128326.db2.gz FMEQGYIXOIRFGF-BRWVUGGUSA-N 2 1 368.522 0.351 20 30 FCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412287 1210733746 /nfs/dbraw/zinc/73/37/46/1210733746.db2.gz MZWWNDFKELMIKY-CAZWYBIWSA-N 2 1 359.518 0.753 20 30 FCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412287 1210733748 /nfs/dbraw/zinc/73/37/48/1210733748.db2.gz MZWWNDFKELMIKY-CAZWYBIWSA-N 2 1 359.518 0.753 20 30 FCEDMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(C#N)nc3)C2)C1=O ZINC001275923828 1211310564 /nfs/dbraw/zinc/31/05/64/1211310564.db2.gz YQLNSXGQAGOTGO-IBGZPJMESA-N 2 1 355.442 0.856 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111277584 1212209890 /nfs/dbraw/zinc/20/98/90/1212209890.db2.gz YQTOKZGBATWBHJ-WCXIOVBPSA-N 2 1 364.490 0.073 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111277584 1212209896 /nfs/dbraw/zinc/20/98/96/1212209896.db2.gz YQTOKZGBATWBHJ-WCXIOVBPSA-N 2 1 364.490 0.073 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111277583 1212209904 /nfs/dbraw/zinc/20/99/04/1212209904.db2.gz YQTOKZGBATWBHJ-NCOADZHNSA-N 2 1 364.490 0.073 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001111277583 1212209910 /nfs/dbraw/zinc/20/99/10/1212209910.db2.gz YQTOKZGBATWBHJ-NCOADZHNSA-N 2 1 364.490 0.073 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000950797801 1212677226 /nfs/dbraw/zinc/67/72/26/1212677226.db2.gz HZOSQLDKSPQOFI-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000950797801 1212677229 /nfs/dbraw/zinc/67/72/29/1212677229.db2.gz HZOSQLDKSPQOFI-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](CCc3ccc(C#N)cc3)C2)OCC1=O ZINC001276303476 1212932568 /nfs/dbraw/zinc/93/25/68/1212932568.db2.gz XDPGLJZOKUWSMK-HXUWFJFHSA-N 2 1 356.470 0.966 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001221773005 1225477105 /nfs/dbraw/zinc/47/71/05/1225477105.db2.gz VBNVDUQQXPAKOB-BRWVUGGUSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001221773005 1225477110 /nfs/dbraw/zinc/47/71/10/1225477110.db2.gz VBNVDUQQXPAKOB-BRWVUGGUSA-N 2 1 360.502 0.648 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223246804 1225694350 /nfs/dbraw/zinc/69/43/50/1225694350.db2.gz VZRJJTCEAGEROM-SJORKVTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001223246804 1225694355 /nfs/dbraw/zinc/69/43/55/1225694355.db2.gz VZRJJTCEAGEROM-SJORKVTESA-N 2 1 360.502 0.533 20 30 FCEDMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1)[NH+](CC)CC ZINC001223489289 1225709884 /nfs/dbraw/zinc/70/98/84/1225709884.db2.gz MRKANXKOVFEHRE-IKGGRYGDSA-N 2 1 363.506 0.669 20 30 FCEDMP CC[C@@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1)[NH+](CC)CC ZINC001223489289 1225709886 /nfs/dbraw/zinc/70/98/86/1225709886.db2.gz MRKANXKOVFEHRE-IKGGRYGDSA-N 2 1 363.506 0.669 20 30 FCEDMP C[NH+]1CCN(CCCN2C[C@]3(CC[N@@H+](CCCC#N)C3)OCC2=O)CC1 ZINC001276951269 1225761639 /nfs/dbraw/zinc/76/16/39/1225761639.db2.gz HIQRKHJBJADEAV-LJQANCHMSA-N 2 1 363.506 0.231 20 30 FCEDMP C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673656 1217947090 /nfs/dbraw/zinc/94/70/90/1217947090.db2.gz WHTDUMQTAHCZTA-FGTMMUONSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673656 1217947097 /nfs/dbraw/zinc/94/70/97/1217947097.db2.gz WHTDUMQTAHCZTA-FGTMMUONSA-N 2 1 363.502 0.716 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ncccc3C#N)CC2)CC[N@@H+]1C ZINC001096259294 1218197975 /nfs/dbraw/zinc/19/79/75/1218197975.db2.gz WOZMPTDAWBXLDS-SJLPKXTDSA-N 2 1 370.501 0.922 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ncccc3C#N)CC2)CC[N@H+]1C ZINC001096259294 1218197977 /nfs/dbraw/zinc/19/79/77/1218197977.db2.gz WOZMPTDAWBXLDS-SJLPKXTDSA-N 2 1 370.501 0.922 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cncc(C#N)n3)CC2)CC[N@@H+]1C ZINC001096259290 1218198175 /nfs/dbraw/zinc/19/81/75/1218198175.db2.gz WDRAINNMRXEDEU-NVXWUHKLSA-N 2 1 371.489 0.317 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cncc(C#N)n3)CC2)CC[N@H+]1C ZINC001096259290 1218198180 /nfs/dbraw/zinc/19/81/80/1218198180.db2.gz WDRAINNMRXEDEU-NVXWUHKLSA-N 2 1 371.489 0.317 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001225377649 1225809015 /nfs/dbraw/zinc/80/90/15/1225809015.db2.gz DDTVKIGZGKIPBH-BRWVUGGUSA-N 2 1 363.506 0.860 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)NCC=C)CC1 ZINC001111456627 1218879366 /nfs/dbraw/zinc/87/93/66/1218879366.db2.gz NARNKEXTGPDHCZ-AITUJVMLSA-N 2 1 372.513 0.744 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)NCC=C)CC1 ZINC001111456627 1218879367 /nfs/dbraw/zinc/87/93/67/1218879367.db2.gz NARNKEXTGPDHCZ-AITUJVMLSA-N 2 1 372.513 0.744 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457855 1218898312 /nfs/dbraw/zinc/89/83/12/1218898312.db2.gz RJPKWVSYSHCRAT-MLHJIOFPSA-N 2 1 360.502 0.722 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457855 1218898313 /nfs/dbraw/zinc/89/83/13/1218898313.db2.gz RJPKWVSYSHCRAT-MLHJIOFPSA-N 2 1 360.502 0.722 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001070208865 1219294265 /nfs/dbraw/zinc/29/42/65/1219294265.db2.gz ATPJSXQXANLQDB-OAGGEKHMSA-N 2 1 355.446 0.970 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260313 1219330286 /nfs/dbraw/zinc/33/02/86/1219330286.db2.gz COYNYQLDOMCSLC-JQHSSLGASA-N 2 1 369.473 0.963 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cn(C)cn1 ZINC001070515623 1219448781 /nfs/dbraw/zinc/44/87/81/1219448781.db2.gz MWHOJDYTFIYUOC-SJFYGUSASA-N 2 1 371.485 0.353 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682016 1219523102 /nfs/dbraw/zinc/52/31/02/1219523102.db2.gz FSCUFASHIHSZDC-JFIYKMOQSA-N 2 1 359.474 0.047 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682016 1219523106 /nfs/dbraw/zinc/52/31/06/1219523106.db2.gz FSCUFASHIHSZDC-JFIYKMOQSA-N 2 1 359.474 0.047 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923987 1219581921 /nfs/dbraw/zinc/58/19/21/1219581921.db2.gz FZUHWBVNDTWERZ-BBWFWOEESA-N 2 1 360.458 0.211 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923987 1219581925 /nfs/dbraw/zinc/58/19/25/1219581925.db2.gz FZUHWBVNDTWERZ-BBWFWOEESA-N 2 1 360.458 0.211 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)CC1 ZINC001098463025 1219788050 /nfs/dbraw/zinc/78/80/50/1219788050.db2.gz ZBBUVQORGFLECW-KURKYZTESA-N 2 1 373.501 0.078 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101270408 1220258509 /nfs/dbraw/zinc/25/85/09/1220258509.db2.gz MMDVXCKXCDESRB-UWVAXJGDSA-N 2 1 360.502 0.343 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101270408 1220258514 /nfs/dbraw/zinc/25/85/14/1220258514.db2.gz MMDVXCKXCDESRB-UWVAXJGDSA-N 2 1 360.502 0.343 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101270408 1220258517 /nfs/dbraw/zinc/25/85/17/1220258517.db2.gz MMDVXCKXCDESRB-UWVAXJGDSA-N 2 1 360.502 0.343 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N(C)CC)C[C@@]2(C)C1 ZINC001101270408 1220258521 /nfs/dbraw/zinc/25/85/21/1220258521.db2.gz MMDVXCKXCDESRB-UWVAXJGDSA-N 2 1 360.502 0.343 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339960 1220292657 /nfs/dbraw/zinc/29/26/57/1220292657.db2.gz OEJCABUPGATUIM-GGPKGHCWSA-N 2 1 363.502 0.526 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339960 1220292663 /nfs/dbraw/zinc/29/26/63/1220292663.db2.gz OEJCABUPGATUIM-GGPKGHCWSA-N 2 1 363.502 0.526 20 30 FCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339960 1220292666 /nfs/dbraw/zinc/29/26/66/1220292666.db2.gz OEJCABUPGATUIM-GGPKGHCWSA-N 2 1 363.502 0.526 20 30 FCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339960 1220292672 /nfs/dbraw/zinc/29/26/72/1220292672.db2.gz OEJCABUPGATUIM-GGPKGHCWSA-N 2 1 363.502 0.526 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345090 1220296104 /nfs/dbraw/zinc/29/61/04/1220296104.db2.gz SWLHKQALWNCPKH-HLIPFELVSA-N 2 1 362.518 0.895 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348719 1220296407 /nfs/dbraw/zinc/29/64/07/1220296407.db2.gz FXAYUAHALJTSPU-VPWXQRGCSA-N 2 1 360.502 0.246 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3)C[C@]2(C)C1 ZINC001101376360 1220308121 /nfs/dbraw/zinc/30/81/21/1220308121.db2.gz CQFVEVRAIVZADU-MDZRGWNJSA-N 2 1 359.474 0.917 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101405820 1220327218 /nfs/dbraw/zinc/32/72/18/1220327218.db2.gz QOXGSNPUJYIWRZ-XLIONFOSSA-N 2 1 363.502 0.527 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NCCCC)C[C@H]1C ZINC001102055880 1220480325 /nfs/dbraw/zinc/48/03/25/1220480325.db2.gz BWUPOYGYXMGUII-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCCCC)C[C@H]1C ZINC001102055880 1220480327 /nfs/dbraw/zinc/48/03/27/1220480327.db2.gz BWUPOYGYXMGUII-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCCCC)C[C@H]1C ZINC001102055880 1220480330 /nfs/dbraw/zinc/48/03/30/1220480330.db2.gz BWUPOYGYXMGUII-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCCCC)C[C@H]1C ZINC001102055880 1220480332 /nfs/dbraw/zinc/48/03/32/1220480332.db2.gz BWUPOYGYXMGUII-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102079139 1220488772 /nfs/dbraw/zinc/48/87/72/1220488772.db2.gz XPGHUQMWBIAQMT-IAGOWNOFSA-N 2 1 362.518 0.849 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102122788 1220511052 /nfs/dbraw/zinc/51/10/52/1220511052.db2.gz LURKEDJIEAVXDG-IXDOHACOSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185444 1220541697 /nfs/dbraw/zinc/54/16/97/1220541697.db2.gz CGQLFDQHJMSMNK-SUMDDJOVSA-N 2 1 362.518 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466265 1220636952 /nfs/dbraw/zinc/63/69/52/1220636952.db2.gz LLBXENFDRBZENL-NVXWUHKLSA-N 2 1 361.490 0.958 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCCn2cc[nH+]c2C)[C@H](C)C1 ZINC001102466265 1220636954 /nfs/dbraw/zinc/63/69/54/1220636954.db2.gz LLBXENFDRBZENL-NVXWUHKLSA-N 2 1 361.490 0.958 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578363 1220700436 /nfs/dbraw/zinc/70/04/36/1220700436.db2.gz YQVQMCVSWSKABH-KZNAEPCWSA-N 2 1 362.518 0.823 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578363 1220700439 /nfs/dbraw/zinc/70/04/39/1220700439.db2.gz YQVQMCVSWSKABH-KZNAEPCWSA-N 2 1 362.518 0.823 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578363 1220700440 /nfs/dbraw/zinc/70/04/40/1220700440.db2.gz YQVQMCVSWSKABH-KZNAEPCWSA-N 2 1 362.518 0.823 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599185 1220721906 /nfs/dbraw/zinc/72/19/06/1220721906.db2.gz SLSCSVCGJUGLEB-FGTMMUONSA-N 2 1 362.518 0.684 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001103584169 1220908560 /nfs/dbraw/zinc/90/85/60/1220908560.db2.gz GIAKTWYSXNCDPR-QZTJIDSGSA-N 2 1 365.518 0.821 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001103724534 1220954055 /nfs/dbraw/zinc/95/40/55/1220954055.db2.gz IBRGOZBTFRUJRU-GUDVDZBRSA-N 2 1 365.518 0.679 20 30 FCEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111782529 1221105936 /nfs/dbraw/zinc/10/59/36/1221105936.db2.gz MWIBZNVTQDXDEA-BXWFABGCSA-N 2 1 361.490 0.471 20 30 FCEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111782529 1221105940 /nfs/dbraw/zinc/10/59/40/1221105940.db2.gz MWIBZNVTQDXDEA-BXWFABGCSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111782529 1221105943 /nfs/dbraw/zinc/10/59/43/1221105943.db2.gz MWIBZNVTQDXDEA-BXWFABGCSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+]1CCC[C@H]1CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111782529 1221105947 /nfs/dbraw/zinc/10/59/47/1221105947.db2.gz MWIBZNVTQDXDEA-BXWFABGCSA-N 2 1 361.490 0.471 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855537 1221137846 /nfs/dbraw/zinc/13/78/46/1221137846.db2.gz AAAZJBDZMHESKI-GUXCAODWSA-N 2 1 362.518 0.990 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001112134988 1221210404 /nfs/dbraw/zinc/21/04/04/1221210404.db2.gz VBLOFEBNYHWYPU-VXSWHIBVSA-N 2 1 371.403 0.852 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001121134136 1222150721 /nfs/dbraw/zinc/15/07/21/1222150721.db2.gz UZUCOSMLWZYFAH-FJGTUQKNSA-N 2 1 361.490 0.373 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000834376894 1222571243 /nfs/dbraw/zinc/57/12/43/1222571243.db2.gz XIZMEKAZBBARBY-BDXSIMOUSA-N 2 1 358.486 0.191 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000834376894 1222571250 /nfs/dbraw/zinc/57/12/50/1222571250.db2.gz XIZMEKAZBBARBY-BDXSIMOUSA-N 2 1 358.486 0.191 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000838622725 1222688981 /nfs/dbraw/zinc/68/89/81/1222688981.db2.gz ZJDHCHFOIGXOHK-LJQANCHMSA-N 2 1 358.486 0.660 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000838622725 1222688985 /nfs/dbraw/zinc/68/89/85/1222688985.db2.gz ZJDHCHFOIGXOHK-LJQANCHMSA-N 2 1 358.486 0.660 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567963 1223457604 /nfs/dbraw/zinc/45/76/04/1223457604.db2.gz IIKJPABEYKOGJF-NVXWUHKLSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207567963 1223457606 /nfs/dbraw/zinc/45/76/06/1223457606.db2.gz IIKJPABEYKOGJF-NVXWUHKLSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207567963 1223457608 /nfs/dbraw/zinc/45/76/08/1223457608.db2.gz IIKJPABEYKOGJF-NVXWUHKLSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207567963 1223457610 /nfs/dbraw/zinc/45/76/10/1223457610.db2.gz IIKJPABEYKOGJF-NVXWUHKLSA-N 2 1 363.506 0.669 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329527 1223682965 /nfs/dbraw/zinc/68/29/65/1223682965.db2.gz BPMAKLBPHNEBAS-IAGOWNOFSA-N 2 1 362.518 0.943 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329527 1223682966 /nfs/dbraw/zinc/68/29/66/1223682966.db2.gz BPMAKLBPHNEBAS-IAGOWNOFSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934016 1224025167 /nfs/dbraw/zinc/02/51/67/1224025167.db2.gz BQFIHSFUQCHZMN-IAGOWNOFSA-N 2 1 366.506 0.228 20 30 FCEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000923378694 1245713526 /nfs/dbraw/zinc/71/35/26/1245713526.db2.gz WFYBVYILRQNPRM-GUDVDZBRSA-N 2 1 369.469 0.812 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000941245851 1246514332 /nfs/dbraw/zinc/51/43/32/1246514332.db2.gz XUVZKDRKOKIRMW-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000941245851 1246514336 /nfs/dbraw/zinc/51/43/36/1246514336.db2.gz XUVZKDRKOKIRMW-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000941245851 1246514343 /nfs/dbraw/zinc/51/43/43/1246514343.db2.gz XUVZKDRKOKIRMW-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000941245851 1246514350 /nfs/dbraw/zinc/51/43/50/1246514350.db2.gz XUVZKDRKOKIRMW-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC000994200549 1250277981 /nfs/dbraw/zinc/27/79/81/1250277981.db2.gz AFEQRNRCAXVEOH-TVFCKZIOSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C ZINC000994200549 1250277973 /nfs/dbraw/zinc/27/79/73/1250277973.db2.gz AFEQRNRCAXVEOH-TVFCKZIOSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997358339 1251559619 /nfs/dbraw/zinc/55/96/19/1251559619.db2.gz YYICQZJBIJGJTO-RDGPPVDQSA-N 2 1 372.513 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001002836322 1252697563 /nfs/dbraw/zinc/69/75/63/1252697563.db2.gz VGGUPQYUVXGKAE-KSZLIROESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001002836322 1252697573 /nfs/dbraw/zinc/69/75/73/1252697573.db2.gz VGGUPQYUVXGKAE-KSZLIROESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001002836322 1252697582 /nfs/dbraw/zinc/69/75/82/1252697582.db2.gz VGGUPQYUVXGKAE-KSZLIROESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001002836322 1252697595 /nfs/dbraw/zinc/69/75/95/1252697595.db2.gz VGGUPQYUVXGKAE-KSZLIROESA-N 2 1 360.502 0.389 20 30 FCEDMP C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001518955651 1265691185 /nfs/dbraw/zinc/69/11/85/1265691185.db2.gz ULPRRFKLOVIVHC-VQIMIIECSA-N 2 1 355.486 0.837 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@H]2O)CC1 ZINC001078227193 1255339411 /nfs/dbraw/zinc/33/94/11/1255339411.db2.gz NJOZYGUSAHIXQU-DJIMGWMZSA-N 2 1 369.456 0.928 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001080456097 1255895897 /nfs/dbraw/zinc/89/58/97/1255895897.db2.gz NWUBSZXYVNYMFY-BRWVUGGUSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001080456097 1255895904 /nfs/dbraw/zinc/89/59/04/1255895904.db2.gz NWUBSZXYVNYMFY-BRWVUGGUSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001080456097 1255895912 /nfs/dbraw/zinc/89/59/12/1255895912.db2.gz NWUBSZXYVNYMFY-BRWVUGGUSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001080456097 1255895920 /nfs/dbraw/zinc/89/59/20/1255895920.db2.gz NWUBSZXYVNYMFY-BRWVUGGUSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]2C)CC1 ZINC001080997394 1256132225 /nfs/dbraw/zinc/13/22/25/1256132225.db2.gz BOALBZXSEHXZSE-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001082567962 1256872954 /nfs/dbraw/zinc/87/29/54/1256872954.db2.gz OHPVALGXNBFYLZ-OLMNPRSZSA-N 2 1 358.490 0.429 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCn2nc(C)nc2C)C1 ZINC001082567962 1256872966 /nfs/dbraw/zinc/87/29/66/1256872966.db2.gz OHPVALGXNBFYLZ-OLMNPRSZSA-N 2 1 358.490 0.429 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C)CC[C@@H]3C2)CC1 ZINC001088211867 1258734132 /nfs/dbraw/zinc/73/41/32/1258734132.db2.gz DFBVYWCNUXTBGO-MSOLQXFVSA-N 2 1 360.502 0.200 20 30 FCEDMP Cc1[nH+]ccn1CCCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106765046 1258957161 /nfs/dbraw/zinc/95/71/61/1258957161.db2.gz KVVQILXPUWWAGT-GDBMZVCRSA-N 2 1 360.462 0.296 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981606 1259010222 /nfs/dbraw/zinc/01/02/22/1259010222.db2.gz WTNAYLMIDRPMBN-KZNAEPCWSA-N 2 1 362.518 0.823 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107444708 1259091870 /nfs/dbraw/zinc/09/18/70/1259091870.db2.gz XBQSHWFCPCZORW-IMFGXOCKSA-N 2 1 362.518 0.683 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCC[NH2+]CC(=O)NCC#Cc2ccccc2)CC[N@H+]1C ZINC001127638513 1259182523 /nfs/dbraw/zinc/18/25/23/1259182523.db2.gz KWTFQBPCQFHXAG-SJLPKXTDSA-N 2 1 356.470 0.200 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262979 1259359690 /nfs/dbraw/zinc/35/96/90/1259359690.db2.gz XNLIZHINYUEZPH-BBWFWOEESA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262979 1259359698 /nfs/dbraw/zinc/35/96/98/1259359698.db2.gz XNLIZHINYUEZPH-BBWFWOEESA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262979 1259359703 /nfs/dbraw/zinc/35/97/03/1259359703.db2.gz XNLIZHINYUEZPH-BBWFWOEESA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262979 1259359708 /nfs/dbraw/zinc/35/97/08/1259359708.db2.gz XNLIZHINYUEZPH-BBWFWOEESA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187304705 1259400246 /nfs/dbraw/zinc/40/02/46/1259400246.db2.gz MADRHCALVAHEHE-OKZBNKHCSA-N 2 1 360.502 0.814 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187304705 1259400251 /nfs/dbraw/zinc/40/02/51/1259400251.db2.gz MADRHCALVAHEHE-OKZBNKHCSA-N 2 1 360.502 0.814 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187304705 1259400258 /nfs/dbraw/zinc/40/02/58/1259400258.db2.gz MADRHCALVAHEHE-OKZBNKHCSA-N 2 1 360.502 0.814 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187304705 1259400266 /nfs/dbraw/zinc/40/02/66/1259400266.db2.gz MADRHCALVAHEHE-OKZBNKHCSA-N 2 1 360.502 0.814 20 30 FCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC001335398422 1259643747 /nfs/dbraw/zinc/64/37/47/1259643747.db2.gz OWEDWYOSESWADB-GOSISDBHSA-N 2 1 370.453 0.942 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246700587 1259662032 /nfs/dbraw/zinc/66/20/32/1259662032.db2.gz YUQWZTQECJGQAV-YLJYHZDGSA-N 2 1 361.534 0.264 20 30 FCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001251844921 1259765844 /nfs/dbraw/zinc/76/58/44/1259765844.db2.gz XZLCNZIKTVMGRW-VAMGGRTRSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001251844921 1259765848 /nfs/dbraw/zinc/76/58/48/1259765848.db2.gz XZLCNZIKTVMGRW-VAMGGRTRSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001251844921 1259765855 /nfs/dbraw/zinc/76/58/55/1259765855.db2.gz XZLCNZIKTVMGRW-VAMGGRTRSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001251845028 1259768036 /nfs/dbraw/zinc/76/80/36/1259768036.db2.gz YWLZLYUTCWOMST-VAMGGRTRSA-N 2 1 365.518 0.258 20 30 FCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001251845028 1259768041 /nfs/dbraw/zinc/76/80/41/1259768041.db2.gz YWLZLYUTCWOMST-VAMGGRTRSA-N 2 1 365.518 0.258 20 30 FCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001251845028 1259768047 /nfs/dbraw/zinc/76/80/47/1259768047.db2.gz YWLZLYUTCWOMST-VAMGGRTRSA-N 2 1 365.518 0.258 20 30 FCEDMP C[NH+](C)CCN1CCO[C@H]2C[N@H+](Cc3cnn4ccc(C#N)cc34)C[C@@H]21 ZINC001279952692 1260972802 /nfs/dbraw/zinc/97/28/02/1260972802.db2.gz QQNPJRKDRZJEJX-OALUTQOASA-N 2 1 354.458 0.653 20 30 FCEDMP C[NH+](C)CCN1CCO[C@H]2C[N@@H+](Cc3cnn4ccc(C#N)cc34)C[C@@H]21 ZINC001279952692 1260972807 /nfs/dbraw/zinc/97/28/07/1260972807.db2.gz QQNPJRKDRZJEJX-OALUTQOASA-N 2 1 354.458 0.653 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001312787743 1263287617 /nfs/dbraw/zinc/28/76/17/1263287617.db2.gz IGYQSXDVWWGGDR-UHFFFAOYSA-N 2 1 363.506 0.137 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001312787743 1263287626 /nfs/dbraw/zinc/28/76/26/1263287626.db2.gz IGYQSXDVWWGGDR-UHFFFAOYSA-N 2 1 363.506 0.137 20 30 FCEDMP C#CCN1CCN(c2nnc([C@@H]3CCC[NH2+]3)n2CCn2cc[nH+]c2C)CC1 ZINC001574707735 1271498727 /nfs/dbraw/zinc/49/87/27/1271498727.db2.gz YHBUBUFFUDKQLD-KRWDZBQOSA-N 2 1 368.489 0.663 20 30 FCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1=O ZINC001698988377 1289540459 /nfs/dbraw/zinc/54/04/59/1289540459.db2.gz ZPBUQXINVCSHAJ-GVDBMIGSSA-N 2 1 350.507 0.894 20 30 FCEDMP C=CCN1CC[C@@H]([NH+](C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001698988377 1289540465 /nfs/dbraw/zinc/54/04/65/1289540465.db2.gz ZPBUQXINVCSHAJ-GVDBMIGSSA-N 2 1 350.507 0.894 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001698988377 1289540469 /nfs/dbraw/zinc/54/04/69/1289540469.db2.gz ZPBUQXINVCSHAJ-GVDBMIGSSA-N 2 1 350.507 0.894 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001698988377 1289540474 /nfs/dbraw/zinc/54/04/74/1289540474.db2.gz ZPBUQXINVCSHAJ-GVDBMIGSSA-N 2 1 350.507 0.894 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001688984881 1294558672 /nfs/dbraw/zinc/55/86/72/1294558672.db2.gz LFNSRIMYUZOBSL-KSZLIROESA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N(C)C(C)C)C1 ZINC001688984881 1294558682 /nfs/dbraw/zinc/55/86/82/1294558682.db2.gz LFNSRIMYUZOBSL-KSZLIROESA-N 2 1 362.518 0.825 20 30 FCEDMP CCO[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC#CCOC ZINC001689067242 1294590705 /nfs/dbraw/zinc/59/07/05/1294590705.db2.gz VOCJMBADDUWACX-GUDVDZBRSA-N 2 1 365.518 0.964 20 30 FCEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001071105250 837735072 /nfs/dbraw/zinc/73/50/72/837735072.db2.gz LMXAFVLJMAPSTI-SQNIBIBYSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001071105250 837735077 /nfs/dbraw/zinc/73/50/77/837735077.db2.gz LMXAFVLJMAPSTI-SQNIBIBYSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400248 844174888 /nfs/dbraw/zinc/17/48/88/844174888.db2.gz NPLADKZEXSCJRA-FCEWJHQRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015997 844375496 /nfs/dbraw/zinc/37/54/96/844375496.db2.gz XSTBQMPCFFVGDS-OAGGEKHMSA-N 2 1 356.486 0.653 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCOCCOC)C[C@H]1C ZINC001102056043 844399913 /nfs/dbraw/zinc/39/99/13/844399913.db2.gz KRJMXZKYBSPPLE-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1C ZINC001102056043 844399923 /nfs/dbraw/zinc/39/99/23/844399923.db2.gz KRJMXZKYBSPPLE-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCOC)C[C@H]1C ZINC001102056043 844399929 /nfs/dbraw/zinc/39/99/29/844399929.db2.gz KRJMXZKYBSPPLE-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCOCCOC)C[C@H]1C ZINC001102056043 844399945 /nfs/dbraw/zinc/39/99/45/844399945.db2.gz KRJMXZKYBSPPLE-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290482 844459921 /nfs/dbraw/zinc/45/99/21/844459921.db2.gz GJJQCUTUKWOKOF-BZUAXINKSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102430589 844497457 /nfs/dbraw/zinc/49/74/57/844497457.db2.gz XPJDOJNEFYVMJZ-NVXWUHKLSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099263424 843995665 /nfs/dbraw/zinc/99/56/65/843995665.db2.gz SJJWZAQADQIOND-MCIONIFRSA-N 2 1 359.396 0.978 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCO)C[C@H]1C ZINC001103099667 844700033 /nfs/dbraw/zinc/70/00/33/844700033.db2.gz RVZBFHDSFJEEJR-KURKYZTESA-N 2 1 351.491 0.167 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCO)C[C@H]1C ZINC001103099667 844700038 /nfs/dbraw/zinc/70/00/38/844700038.db2.gz RVZBFHDSFJEEJR-KURKYZTESA-N 2 1 351.491 0.167 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103099667 844700045 /nfs/dbraw/zinc/70/00/45/844700045.db2.gz RVZBFHDSFJEEJR-KURKYZTESA-N 2 1 351.491 0.167 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCO)C[C@H]1C ZINC001103099667 844700051 /nfs/dbraw/zinc/70/00/51/844700051.db2.gz RVZBFHDSFJEEJR-KURKYZTESA-N 2 1 351.491 0.167 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](C[C@H](O)COC)C[C@H]1C ZINC001103099247 844700167 /nfs/dbraw/zinc/70/01/67/844700167.db2.gz GKSLZHAWULXKQR-BDXSIMOUSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](C[C@H](O)COC)C[C@H]1C ZINC001103099247 844700174 /nfs/dbraw/zinc/70/01/74/844700174.db2.gz GKSLZHAWULXKQR-BDXSIMOUSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1C ZINC001103099247 844700181 /nfs/dbraw/zinc/70/01/81/844700181.db2.gz GKSLZHAWULXKQR-BDXSIMOUSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](C[C@H](O)COC)C[C@H]1C ZINC001103099247 844700184 /nfs/dbraw/zinc/70/01/84/844700184.db2.gz GKSLZHAWULXKQR-BDXSIMOUSA-N 2 1 351.491 0.166 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723730 844808107 /nfs/dbraw/zinc/80/81/07/844808107.db2.gz ZJFFMHIRPYVFRF-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755416 844817031 /nfs/dbraw/zinc/81/70/31/844817031.db2.gz GJYXGWWMGKBPPO-BRWVUGGUSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755416 844817036 /nfs/dbraw/zinc/81/70/36/844817036.db2.gz GJYXGWWMGKBPPO-BRWVUGGUSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755416 844817042 /nfs/dbraw/zinc/81/70/42/844817042.db2.gz GJYXGWWMGKBPPO-BRWVUGGUSA-N 2 1 350.507 0.539 20 30 FCEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042310 844973778 /nfs/dbraw/zinc/97/37/78/844973778.db2.gz VQPFNJJSKMJZBS-KZNAEPCWSA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042310 844973781 /nfs/dbraw/zinc/97/37/81/844973781.db2.gz VQPFNJJSKMJZBS-KZNAEPCWSA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](CC)CC)CCC[C@@H]12 ZINC001107582398 845403180 /nfs/dbraw/zinc/40/31/80/845403180.db2.gz CBXGCWKAQDYVCU-VQIMIIECSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001110107341 845791547 /nfs/dbraw/zinc/79/15/47/845791547.db2.gz DSLQWSMCBRSATJ-BDXSIMOUSA-N 2 1 351.491 0.879 20 30 FCEDMP C[N@H+]1CCCN(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC001120487539 848218168 /nfs/dbraw/zinc/21/81/68/848218168.db2.gz AACKPOGKDOPKQB-UHFFFAOYSA-N 2 1 364.515 0.949 20 30 FCEDMP O=C(Nc1cccc(C(=O)N2CC[N@H+]3CC[C@@H]3C2)c1)[C@@H]1C[C@H](S)C[NH2+]1 ZINC001161423766 850258559 /nfs/dbraw/zinc/25/85/59/850258559.db2.gz MRHKSDSYLUIJII-PMPSAXMXSA-N 2 1 360.483 0.816 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189040949 851745285 /nfs/dbraw/zinc/74/52/85/851745285.db2.gz KXVGYLLIHQUHMT-DLBZAZTESA-N 2 1 350.507 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189040949 851745289 /nfs/dbraw/zinc/74/52/89/851745289.db2.gz KXVGYLLIHQUHMT-DLBZAZTESA-N 2 1 350.507 0.895 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001189913757 851841924 /nfs/dbraw/zinc/84/19/24/851841924.db2.gz ZSCZWXWKWBDPKR-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913757 851841930 /nfs/dbraw/zinc/84/19/30/851841930.db2.gz ZSCZWXWKWBDPKR-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001189913757 851841941 /nfs/dbraw/zinc/84/19/41/851841941.db2.gz ZSCZWXWKWBDPKR-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190177538 851870147 /nfs/dbraw/zinc/87/01/47/851870147.db2.gz OISRYTVPLXFSFU-OKZBNKHCSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190177538 851870156 /nfs/dbraw/zinc/87/01/56/851870156.db2.gz OISRYTVPLXFSFU-OKZBNKHCSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C2)C1=O ZINC001207757516 853853968 /nfs/dbraw/zinc/85/39/68/853853968.db2.gz DVRMLOWQXQVNNQ-BZUAXINKSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C2)C1=O ZINC001207757516 853853971 /nfs/dbraw/zinc/85/39/71/853853971.db2.gz DVRMLOWQXQVNNQ-BZUAXINKSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)C1=O ZINC001207757516 853853976 /nfs/dbraw/zinc/85/39/76/853853976.db2.gz DVRMLOWQXQVNNQ-BZUAXINKSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C2)C1=O ZINC001207757516 853853982 /nfs/dbraw/zinc/85/39/82/853853982.db2.gz DVRMLOWQXQVNNQ-BZUAXINKSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211429581 854197174 /nfs/dbraw/zinc/19/71/74/854197174.db2.gz TYKDBIZILLBRMR-IAGOWNOFSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211429581 854197179 /nfs/dbraw/zinc/19/71/79/854197179.db2.gz TYKDBIZILLBRMR-IAGOWNOFSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036083 855055648 /nfs/dbraw/zinc/05/56/48/855055648.db2.gz MRPLFAOBNUZNGG-ZACQAIPSSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959141 856884818 /nfs/dbraw/zinc/88/48/18/856884818.db2.gz MYMWKIJKGULAPV-ZJPYXAASSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959141 856884821 /nfs/dbraw/zinc/88/48/21/856884821.db2.gz MYMWKIJKGULAPV-ZJPYXAASSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959141 856884824 /nfs/dbraw/zinc/88/48/24/856884824.db2.gz MYMWKIJKGULAPV-ZJPYXAASSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001222959141 856884827 /nfs/dbraw/zinc/88/48/27/856884827.db2.gz MYMWKIJKGULAPV-ZJPYXAASSA-N 2 1 351.491 0.831 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167156 857194235 /nfs/dbraw/zinc/19/42/35/857194235.db2.gz GXYRXVKVFONGSB-KZNAEPCWSA-N 2 1 351.491 0.762 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228167156 857194239 /nfs/dbraw/zinc/19/42/39/857194239.db2.gz GXYRXVKVFONGSB-KZNAEPCWSA-N 2 1 351.491 0.762 20 30 FCEDMP C=CCOC[C@@H](O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001252465486 857814235 /nfs/dbraw/zinc/81/42/35/857814235.db2.gz HQFHSLJJMFWMKM-INIZCTEOSA-N 2 1 352.479 0.731 20 30 FCEDMP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=S)NCC[NH+](C)C)cc1C#N ZINC001279975791 863161880 /nfs/dbraw/zinc/16/18/80/863161880.db2.gz PZGCJUJBIODJJL-IRXDYDNUSA-N 2 1 360.531 0.981 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573286335 946803833 /nfs/dbraw/zinc/80/38/33/946803833.db2.gz ZBKCTZYLJKDOOL-KRWDZBQOSA-N 2 1 367.457 0.512 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573286335 946803848 /nfs/dbraw/zinc/80/38/48/946803848.db2.gz ZBKCTZYLJKDOOL-KRWDZBQOSA-N 2 1 367.457 0.512 20 30 FCEDMP COc1cccc([C@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)N(C)C)c1 ZINC000264134572 229325045 /nfs/dbraw/zinc/32/50/45/229325045.db2.gz UWEWFQNYQGMTLY-SFHVURJKSA-N 2 1 363.506 0.925 20 30 FCEDMP O=C(C[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329010299 488960109 /nfs/dbraw/zinc/96/01/09/488960109.db2.gz ZNDHMSRWFRXSOO-SFHVURJKSA-N 2 1 362.478 0.688 20 30 FCEDMP O=C(C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329010299 488960110 /nfs/dbraw/zinc/96/01/10/488960110.db2.gz ZNDHMSRWFRXSOO-SFHVURJKSA-N 2 1 362.478 0.688 20 30 FCEDMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000329155504 488975172 /nfs/dbraw/zinc/97/51/72/488975172.db2.gz BQCQDRZYZQOQMT-BBWFWOEESA-N 2 1 353.511 0.331 20 30 FCEDMP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000329218040 488982099 /nfs/dbraw/zinc/98/20/99/488982099.db2.gz RFZRRHVNSOZRMJ-XYTVBORESA-N 2 1 366.506 0.995 20 30 FCEDMP C[C@@H]1C[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000329805586 489037703 /nfs/dbraw/zinc/03/77/03/489037703.db2.gz NDIYLDCDONUFON-WBVHZDCISA-N 2 1 365.522 0.869 20 30 FCEDMP C[C@@H]1C[C@@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000329805586 489037704 /nfs/dbraw/zinc/03/77/04/489037704.db2.gz NDIYLDCDONUFON-WBVHZDCISA-N 2 1 365.522 0.869 20 30 FCEDMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000330242626 489083696 /nfs/dbraw/zinc/08/36/96/489083696.db2.gz GEVQDVSQGYGYAI-WBVHZDCISA-N 2 1 353.511 0.331 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccnn1C1CC[NH+](CC)CC1 ZINC000293355002 489183819 /nfs/dbraw/zinc/18/38/19/489183819.db2.gz LCLRXEKOTCOBEY-UHFFFAOYSA-N 2 1 374.489 0.550 20 30 FCEDMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC2(C#N)CCCCC2)CC1 ZINC000507422393 490220680 /nfs/dbraw/zinc/22/06/80/490220680.db2.gz IEQADAVZBRXQHN-UHFFFAOYSA-N 2 1 363.506 0.719 20 30 FCEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000564848380 491331204 /nfs/dbraw/zinc/33/12/04/491331204.db2.gz VSQBYIIBDZXWIJ-SJORKVTESA-N 2 1 360.458 0.475 20 30 FCEDMP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000575312272 491548384 /nfs/dbraw/zinc/54/83/84/491548384.db2.gz JUNVDGRXFDSLDS-MRXNPFEDSA-N 2 1 366.487 0.553 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000561437505 491608352 /nfs/dbraw/zinc/60/83/52/491608352.db2.gz JFYUPUJIXUAECO-RDJZCZTQSA-N 2 1 350.507 0.942 20 30 FCEDMP C[NH+]=C(NCCC1CC[NH+](C)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261750681 526354925 /nfs/dbraw/zinc/35/49/25/526354925.db2.gz NISFKFNXGZHKCM-GOSISDBHSA-N 3 1 351.539 0.948 20 30 FCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155847255 526371968 /nfs/dbraw/zinc/37/19/68/526371968.db2.gz NLTHXUGALFNBMJ-AWEZNQCLSA-N 2 1 359.478 0.128 20 30 FCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261772753 526373087 /nfs/dbraw/zinc/37/30/87/526373087.db2.gz GWIUMHRPIDOGJF-ZIAGYGMSSA-N 2 1 364.460 0.376 20 30 FCEDMP C[NH+]=C(NCc1nc(C)c(C)s1)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000262658811 526388453 /nfs/dbraw/zinc/38/84/53/526388453.db2.gz LEGBGQOCBPJOKN-UHFFFAOYSA-N 2 1 366.535 0.978 20 30 FCEDMP CCNS(=O)(=O)c1ccc(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000268585721 528379065 /nfs/dbraw/zinc/37/90/65/528379065.db2.gz LPBKGMMJBACBSY-OAHLLOKOSA-N 2 1 367.519 0.873 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000104163575 529073494 /nfs/dbraw/zinc/07/34/94/529073494.db2.gz JICVJTZIDIZTDQ-QGZVFWFLSA-N 3 1 359.522 0.722 20 30 FCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(N2CCN(C)CC2)c1 ZINC000104163575 529073500 /nfs/dbraw/zinc/07/35/00/529073500.db2.gz JICVJTZIDIZTDQ-QGZVFWFLSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccnc(N2CCN(C)CC2)c1 ZINC000104163575 529073505 /nfs/dbraw/zinc/07/35/05/529073505.db2.gz JICVJTZIDIZTDQ-QGZVFWFLSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(NS(C)(=O)=O)cc1 ZINC000264085800 529101128 /nfs/dbraw/zinc/10/11/28/529101128.db2.gz JRRJWCWJUOTKTN-HNNXBMFYSA-N 2 1 353.492 0.947 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000553670164 547299317 /nfs/dbraw/zinc/29/93/17/547299317.db2.gz ZDJNWETUXHVIQM-CVEARBPZSA-N 2 1 350.507 0.990 20 30 FCEDMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000083102179 666879761 /nfs/dbraw/zinc/87/97/61/666879761.db2.gz RRGBTUQCBWCNIZ-SNVBAGLBSA-N 2 1 357.505 0.297 20 30 FCEDMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000083102179 666879765 /nfs/dbraw/zinc/87/97/65/666879765.db2.gz RRGBTUQCBWCNIZ-SNVBAGLBSA-N 2 1 357.505 0.297 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000836348958 670045440 /nfs/dbraw/zinc/04/54/40/670045440.db2.gz HYPHMRHLPMCQRJ-INIZCTEOSA-N 2 1 351.495 0.183 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000836348958 670045444 /nfs/dbraw/zinc/04/54/44/670045444.db2.gz HYPHMRHLPMCQRJ-INIZCTEOSA-N 2 1 351.495 0.183 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000836348958 670045448 /nfs/dbraw/zinc/04/54/48/670045448.db2.gz HYPHMRHLPMCQRJ-INIZCTEOSA-N 2 1 351.495 0.183 20 30 FCEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCCN(O)C3=O)CC2)CC1 ZINC000848133105 671252748 /nfs/dbraw/zinc/25/27/48/671252748.db2.gz SDRZDJOZQOJHQR-INIZCTEOSA-N 2 1 352.479 0.679 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000988738339 1192424996 /nfs/dbraw/zinc/42/49/96/1192424996.db2.gz NARGYIUXNQGFJI-IKGGRYGDSA-N 2 1 358.486 0.285 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000988738339 1192425001 /nfs/dbraw/zinc/42/50/01/1192425001.db2.gz NARGYIUXNQGFJI-IKGGRYGDSA-N 2 1 358.486 0.285 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422525 1171953357 /nfs/dbraw/zinc/95/33/57/1171953357.db2.gz XKWXOZCLUDYFLD-DJIMGWMZSA-N 2 1 359.474 0.404 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211557206 1172065612 /nfs/dbraw/zinc/06/56/12/1172065612.db2.gz HAVKJMHDVPBMKZ-IPMKNSEASA-N 2 1 368.481 0.414 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001691554566 1192874593 /nfs/dbraw/zinc/87/45/93/1192874593.db2.gz MVTIOQNOLNRDCO-VSZNYVQBSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001691554566 1192874596 /nfs/dbraw/zinc/87/45/96/1192874596.db2.gz MVTIOQNOLNRDCO-VSZNYVQBSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001691554566 1192874597 /nfs/dbraw/zinc/87/45/97/1192874597.db2.gz MVTIOQNOLNRDCO-VSZNYVQBSA-N 2 1 362.518 0.799 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932930 1183006904 /nfs/dbraw/zinc/00/69/04/1183006904.db2.gz VYAXKKFOWLNGBP-KZNAEPCWSA-N 2 1 364.534 0.930 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)[C@@H]2CC)CC1 ZINC001087840317 1189847982 /nfs/dbraw/zinc/84/79/82/1189847982.db2.gz RBVSQQNWSNDBDB-ZWKOTPCHSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)[C@@H]2CC)CC1 ZINC001087840317 1189847984 /nfs/dbraw/zinc/84/79/84/1189847984.db2.gz RBVSQQNWSNDBDB-ZWKOTPCHSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087997935 1190173435 /nfs/dbraw/zinc/17/34/35/1190173435.db2.gz ICZGVJPSEZXKDF-SQNIBIBYSA-N 2 1 356.474 0.156 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cncn3)CC[C@@H]2C1 ZINC001087997935 1190173436 /nfs/dbraw/zinc/17/34/36/1190173436.db2.gz ICZGVJPSEZXKDF-SQNIBIBYSA-N 2 1 356.474 0.156 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087997935 1190173437 /nfs/dbraw/zinc/17/34/37/1190173437.db2.gz ICZGVJPSEZXKDF-SQNIBIBYSA-N 2 1 356.474 0.156 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)CC[C@@H]2C1 ZINC001087997935 1190173438 /nfs/dbraw/zinc/17/34/38/1190173438.db2.gz ICZGVJPSEZXKDF-SQNIBIBYSA-N 2 1 356.474 0.156 20 30 FCEDMP C[NH+]1CCN(c2ncc(NC(=O)[C@@H]([NH3+])Cc3ccccc3C#N)cn2)CC1 ZINC001218579344 1224176494 /nfs/dbraw/zinc/17/64/94/1224176494.db2.gz CGRRFOTYARLRJL-KRWDZBQOSA-N 2 1 365.441 0.609 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3OCCN(C(=O)CC[N@H+](C)CC)[C@H]3C2)C1=O ZINC001218919052 1224257645 /nfs/dbraw/zinc/25/76/45/1224257645.db2.gz MUFVYWQDGBDFLN-YESZJQIVSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)C1=O ZINC001218919052 1224257656 /nfs/dbraw/zinc/25/76/56/1224257656.db2.gz MUFVYWQDGBDFLN-YESZJQIVSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)CC[NH+](C)CC)[C@H]3C2)C1=O ZINC001218919052 1224257666 /nfs/dbraw/zinc/25/76/66/1224257666.db2.gz MUFVYWQDGBDFLN-YESZJQIVSA-N 2 1 364.490 0.027 20 30 FCEDMP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001077007294 1195141975 /nfs/dbraw/zinc/14/19/75/1195141975.db2.gz HURSRDRLNLIZET-GUDVDZBRSA-N 2 1 354.454 0.561 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001077007294 1195141982 /nfs/dbraw/zinc/14/19/82/1195141982.db2.gz HURSRDRLNLIZET-GUDVDZBRSA-N 2 1 354.454 0.561 20 30 FCEDMP CC(C)(C)[NH+]=C(NCCC[NH+]1CCOCC1)NCc1nnc2n1CCC2 ZINC000912499630 1196349017 /nfs/dbraw/zinc/34/90/17/1196349017.db2.gz WICRIFTUMADLKH-UHFFFAOYSA-N 2 1 363.510 0.780 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105944831 1196748909 /nfs/dbraw/zinc/74/89/09/1196748909.db2.gz APHKHRWFRCTIFU-KURKYZTESA-N 2 1 362.518 0.965 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106266325 1197806409 /nfs/dbraw/zinc/80/64/09/1197806409.db2.gz CSRREMOUQJKWQQ-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCNC(=O)C2CC2)[C@H](C)C1 ZINC001106266325 1197806410 /nfs/dbraw/zinc/80/64/10/1197806410.db2.gz CSRREMOUQJKWQQ-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672437 1200459828 /nfs/dbraw/zinc/45/98/28/1200459828.db2.gz FFIRONKKPVRQDF-XGUBFFRZSA-N 2 1 365.478 0.060 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672437 1200459837 /nfs/dbraw/zinc/45/98/37/1200459837.db2.gz FFIRONKKPVRQDF-XGUBFFRZSA-N 2 1 365.478 0.060 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892122 1201415951 /nfs/dbraw/zinc/41/59/51/1201415951.db2.gz JDXHPSJLZQTFCS-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005975 1201475706 /nfs/dbraw/zinc/47/57/06/1201475706.db2.gz NLJMWBMHOYWMIA-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140535 1201516165 /nfs/dbraw/zinc/51/61/65/1201516165.db2.gz ZFCNYESMOVRGTP-CEXWTWQISA-N 2 1 366.469 0.946 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CC)[nH]1 ZINC001130244570 1201564151 /nfs/dbraw/zinc/56/41/51/1201564151.db2.gz KEWOLKGMNFQZFE-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@@H+](C)CC)n1 ZINC001130244570 1201564158 /nfs/dbraw/zinc/56/41/58/1201564158.db2.gz KEWOLKGMNFQZFE-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@H+](C)CC)n1 ZINC001130244570 1201564163 /nfs/dbraw/zinc/56/41/63/1201564163.db2.gz KEWOLKGMNFQZFE-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@@H+](C)CC)n[nH]1 ZINC001130244570 1201564168 /nfs/dbraw/zinc/56/41/68/1201564168.db2.gz KEWOLKGMNFQZFE-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@H+](C)CC)n[nH]1 ZINC001130244570 1201564171 /nfs/dbraw/zinc/56/41/71/1201564171.db2.gz KEWOLKGMNFQZFE-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)CCC)n1 ZINC001130249210 1201569430 /nfs/dbraw/zinc/56/94/30/1201569430.db2.gz PKGZBMWVNCJDGS-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[nH]1 ZINC001130249210 1201569433 /nfs/dbraw/zinc/56/94/33/1201569433.db2.gz PKGZBMWVNCJDGS-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[nH]1 ZINC001130249210 1201569437 /nfs/dbraw/zinc/56/94/37/1201569437.db2.gz PKGZBMWVNCJDGS-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531766 1202710103 /nfs/dbraw/zinc/71/01/03/1202710103.db2.gz FOSYMEGZFMCFAC-CGTJXYLNSA-N 2 1 361.490 0.601 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531879 1202710621 /nfs/dbraw/zinc/71/06/21/1202710621.db2.gz JWEJLPXUBBRKFQ-JQHSSLGASA-N 2 1 359.474 0.048 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555462 1202715745 /nfs/dbraw/zinc/71/57/45/1202715745.db2.gz FDAMJJLVAQYLAJ-CGTJXYLNSA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555462 1202715746 /nfs/dbraw/zinc/71/57/46/1202715746.db2.gz FDAMJJLVAQYLAJ-CGTJXYLNSA-N 2 1 361.490 0.601 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@H+](C)CC)n2)O1 ZINC001130812826 1202805468 /nfs/dbraw/zinc/80/54/68/1202805468.db2.gz CANYCEWMYFFHMK-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@@H+](C)CC)n[nH]2)O1 ZINC001130812826 1202805470 /nfs/dbraw/zinc/80/54/70/1202805470.db2.gz CANYCEWMYFFHMK-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@H+](C)CC)n[nH]2)O1 ZINC001130812826 1202805473 /nfs/dbraw/zinc/80/54/73/1202805473.db2.gz CANYCEWMYFFHMK-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316429 1202885141 /nfs/dbraw/zinc/88/51/41/1202885141.db2.gz IYEMHBOSCLULRV-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316429 1202885142 /nfs/dbraw/zinc/88/51/42/1202885142.db2.gz IYEMHBOSCLULRV-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091748152 1204841817 /nfs/dbraw/zinc/84/18/17/1204841817.db2.gz BZQIJNFWDOFEMW-DYXWJJEUSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091748152 1204841821 /nfs/dbraw/zinc/84/18/21/1204841821.db2.gz BZQIJNFWDOFEMW-DYXWJJEUSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091748152 1204841822 /nfs/dbraw/zinc/84/18/22/1204841822.db2.gz BZQIJNFWDOFEMW-DYXWJJEUSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091748152 1204841825 /nfs/dbraw/zinc/84/18/25/1204841825.db2.gz BZQIJNFWDOFEMW-DYXWJJEUSA-N 2 1 369.513 0.841 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086982215 1204886939 /nfs/dbraw/zinc/88/69/39/1204886939.db2.gz ZAPUTWWKZCYQHI-KSZLIROESA-N 2 1 371.489 0.317 20 30 FCEDMP C=C[C@H](O)C[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276815116 1224987909 /nfs/dbraw/zinc/98/79/09/1224987909.db2.gz NNPHACRSNVFSIR-SFHVURJKSA-N 2 1 364.534 0.485 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001188919009 1207486641 /nfs/dbraw/zinc/48/66/41/1207486641.db2.gz SZTPSVBQRDAZSK-RCCFBDPRSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001188919009 1207486643 /nfs/dbraw/zinc/48/66/43/1207486643.db2.gz SZTPSVBQRDAZSK-RCCFBDPRSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188919009 1207486646 /nfs/dbraw/zinc/48/66/46/1207486646.db2.gz SZTPSVBQRDAZSK-RCCFBDPRSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188919009 1207486649 /nfs/dbraw/zinc/48/66/49/1207486649.db2.gz SZTPSVBQRDAZSK-RCCFBDPRSA-N 2 1 360.502 0.391 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001194960592 1207984143 /nfs/dbraw/zinc/98/41/43/1207984143.db2.gz AREXDITYEZEEBN-RTBURBONSA-N 2 1 361.486 0.768 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000882628968 1210629822 /nfs/dbraw/zinc/62/98/22/1210629822.db2.gz CFTMKSPUMGTJLT-LJQANCHMSA-N 2 1 362.518 0.244 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000884205355 1210722534 /nfs/dbraw/zinc/72/25/34/1210722534.db2.gz UCKXTPRAQAGHGO-IAGOWNOFSA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000884205355 1210722537 /nfs/dbraw/zinc/72/25/37/1210722537.db2.gz UCKXTPRAQAGHGO-IAGOWNOFSA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000884205355 1210722539 /nfs/dbraw/zinc/72/25/39/1210722539.db2.gz UCKXTPRAQAGHGO-IAGOWNOFSA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000884205355 1210722543 /nfs/dbraw/zinc/72/25/43/1210722543.db2.gz UCKXTPRAQAGHGO-IAGOWNOFSA-N 2 1 363.506 0.326 20 30 FCEDMP C#CCN(C(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CC[NH+](C)CC1 ZINC000886581058 1210832800 /nfs/dbraw/zinc/83/28/00/1210832800.db2.gz IQIVYMXWXMUSGW-MJGOQNOKSA-N 2 1 374.529 0.875 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]2C)CC1 ZINC000947965748 1212106316 /nfs/dbraw/zinc/10/63/16/1212106316.db2.gz YVMIQKFKVJRGTA-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276339147 1213419301 /nfs/dbraw/zinc/41/93/01/1213419301.db2.gz OYSVMCLGBZGVNN-FQEVSTJZSA-N 2 1 364.534 0.893 20 30 FCEDMP C=CCCC[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276339147 1213419303 /nfs/dbraw/zinc/41/93/03/1213419303.db2.gz OYSVMCLGBZGVNN-FQEVSTJZSA-N 2 1 364.534 0.893 20 30 FCEDMP C=CCCC[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276339147 1213419307 /nfs/dbraw/zinc/41/93/07/1213419307.db2.gz OYSVMCLGBZGVNN-FQEVSTJZSA-N 2 1 364.534 0.893 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@H](C)C#N)CC2)CC[N@H+]1C ZINC001055631454 1215893056 /nfs/dbraw/zinc/89/30/56/1215893056.db2.gz GRZLLAOSOCVCOT-HYVNUMGLSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001222714856 1225647132 /nfs/dbraw/zinc/64/71/32/1225647132.db2.gz FNKVSCUJLUETMY-XDNAFOTISA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001222714856 1225647136 /nfs/dbraw/zinc/64/71/36/1225647136.db2.gz FNKVSCUJLUETMY-XDNAFOTISA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@@H]21 ZINC001222714856 1225647140 /nfs/dbraw/zinc/64/71/40/1225647140.db2.gz FNKVSCUJLUETMY-XDNAFOTISA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001222714856 1225647146 /nfs/dbraw/zinc/64/71/46/1225647146.db2.gz FNKVSCUJLUETMY-XDNAFOTISA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]21 ZINC001222714856 1225647153 /nfs/dbraw/zinc/64/71/53/1225647153.db2.gz FNKVSCUJLUETMY-XDNAFOTISA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420600 1216193257 /nfs/dbraw/zinc/19/32/57/1216193257.db2.gz NKMLOBKJLLNMEK-KBAYOESNSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945806 1216859228 /nfs/dbraw/zinc/85/92/28/1216859228.db2.gz XHTOPICVJBDFGJ-KURKYZTESA-N 2 1 358.490 0.621 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945806 1216859231 /nfs/dbraw/zinc/85/92/31/1216859231.db2.gz XHTOPICVJBDFGJ-KURKYZTESA-N 2 1 358.490 0.621 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@@H](n2ccnn2)C1 ZINC001069945806 1216859233 /nfs/dbraw/zinc/85/92/33/1216859233.db2.gz XHTOPICVJBDFGJ-KURKYZTESA-N 2 1 358.490 0.621 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966076 1216872925 /nfs/dbraw/zinc/87/29/25/1216872925.db2.gz VBWTZESDKQYHBI-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966076 1216872926 /nfs/dbraw/zinc/87/29/26/1216872926.db2.gz VBWTZESDKQYHBI-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966076 1216872929 /nfs/dbraw/zinc/87/29/29/1216872929.db2.gz VBWTZESDKQYHBI-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966076 1216872932 /nfs/dbraw/zinc/87/29/32/1216872932.db2.gz VBWTZESDKQYHBI-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CCN(CC(=O)NCC#N)[C@H]3C2)CC[N@H+]1C ZINC001223355199 1225700532 /nfs/dbraw/zinc/70/05/32/1225700532.db2.gz WITBPRAKAINMOX-YVSFHVDLSA-N 2 1 361.490 0.279 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)CC[N@@H+]1C ZINC001223355199 1225700534 /nfs/dbraw/zinc/70/05/34/1225700534.db2.gz WITBPRAKAINMOX-YVSFHVDLSA-N 2 1 361.490 0.279 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)CC[N@H+]1C ZINC001223355199 1225700540 /nfs/dbraw/zinc/70/05/40/1225700540.db2.gz WITBPRAKAINMOX-YVSFHVDLSA-N 2 1 361.490 0.279 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)CC[NH+]1C ZINC001223355199 1225700543 /nfs/dbraw/zinc/70/05/43/1225700543.db2.gz WITBPRAKAINMOX-YVSFHVDLSA-N 2 1 361.490 0.279 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)CC[NH+]1C ZINC001223355199 1225700547 /nfs/dbraw/zinc/70/05/47/1225700547.db2.gz WITBPRAKAINMOX-YVSFHVDLSA-N 2 1 361.490 0.279 20 30 FCEDMP C[NH+]1CCN(CCCN2C[C@@]3(CC[N@@H+](CCCC#N)C3)OCC2=O)CC1 ZINC001276951268 1225761343 /nfs/dbraw/zinc/76/13/43/1225761343.db2.gz HIQRKHJBJADEAV-IBGZPJMESA-N 2 1 363.506 0.231 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224227005 1225766813 /nfs/dbraw/zinc/76/68/13/1225766813.db2.gz AVFQBEZOSDIXSJ-MSOLQXFVSA-N 2 1 360.502 0.535 20 30 FCEDMP C=C(C)C[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047383418 1218136152 /nfs/dbraw/zinc/13/61/52/1218136152.db2.gz BFVAQCZEBJDMTL-XWSJACJDSA-N 2 1 365.518 0.813 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001226781901 1225853900 /nfs/dbraw/zinc/85/39/00/1225853900.db2.gz FKGRINYYPFLWRD-KURKYZTESA-N 2 1 361.490 0.480 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070078128 1219147419 /nfs/dbraw/zinc/14/74/19/1219147419.db2.gz XBFBIHGXRVUDKM-WBVHZDCISA-N 2 1 355.446 0.971 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](n2ccnn2)C1 ZINC001070078128 1219147426 /nfs/dbraw/zinc/14/74/26/1219147426.db2.gz XBFBIHGXRVUDKM-WBVHZDCISA-N 2 1 355.446 0.971 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070211707 1219295885 /nfs/dbraw/zinc/29/58/85/1219295885.db2.gz WUWNQQRCVWEQQD-QYZOEREBSA-N 2 1 370.501 0.907 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCCC2)[C@@H](n2ccnn2)C1 ZINC001070211707 1219295888 /nfs/dbraw/zinc/29/58/88/1219295888.db2.gz WUWNQQRCVWEQQD-QYZOEREBSA-N 2 1 370.501 0.907 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070371659 1219401819 /nfs/dbraw/zinc/40/18/19/1219401819.db2.gz BGVKQVSDBJSFGC-UIXUWTQFSA-N 2 1 374.529 0.825 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001070372700 1219402467 /nfs/dbraw/zinc/40/24/67/1219402467.db2.gz BWHWCSWGSCYUHK-AOIWGVFYSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1cn(C)cn1 ZINC001070525926 1219453504 /nfs/dbraw/zinc/45/35/04/1219453504.db2.gz HNFMZWRKMJOKTC-VDZJLULYSA-N 2 1 366.469 0.705 20 30 FCEDMP C#CC[NH+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001070604748 1219481338 /nfs/dbraw/zinc/48/13/38/1219481338.db2.gz XRLZEPIVEGIIAK-YYIAUSFCSA-N 2 1 359.474 0.884 20 30 FCEDMP C#CC[N@@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001070604748 1219481339 /nfs/dbraw/zinc/48/13/39/1219481339.db2.gz XRLZEPIVEGIIAK-YYIAUSFCSA-N 2 1 359.474 0.884 20 30 FCEDMP C#CC[N@H+]1C[C@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001070604748 1219481342 /nfs/dbraw/zinc/48/13/42/1219481342.db2.gz XRLZEPIVEGIIAK-YYIAUSFCSA-N 2 1 359.474 0.884 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682017 1219522725 /nfs/dbraw/zinc/52/27/25/1219522725.db2.gz FSCUFASHIHSZDC-NUJGCVRESA-N 2 1 359.474 0.047 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070682017 1219522731 /nfs/dbraw/zinc/52/27/31/1219522731.db2.gz FSCUFASHIHSZDC-NUJGCVRESA-N 2 1 359.474 0.047 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923731 1219581530 /nfs/dbraw/zinc/58/15/30/1219581530.db2.gz ATMBVACMCSHGKU-ZACQAIPSSA-N 2 1 362.474 0.764 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243606 1220242939 /nfs/dbraw/zinc/24/29/39/1220242939.db2.gz REJORVAYKHDDEK-YZLZLFLDSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243606 1220242943 /nfs/dbraw/zinc/24/29/43/1220242943.db2.gz REJORVAYKHDDEK-YZLZLFLDSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243606 1220242949 /nfs/dbraw/zinc/24/29/49/1220242949.db2.gz REJORVAYKHDDEK-YZLZLFLDSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001101257610 1220250400 /nfs/dbraw/zinc/25/04/00/1220250400.db2.gz CPFCGRQETVEYBW-UWVAXJGDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101257610 1220250404 /nfs/dbraw/zinc/25/04/04/1220250404.db2.gz CPFCGRQETVEYBW-UWVAXJGDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101257610 1220250411 /nfs/dbraw/zinc/25/04/11/1220250411.db2.gz CPFCGRQETVEYBW-UWVAXJGDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268460 1220257343 /nfs/dbraw/zinc/25/73/43/1220257343.db2.gz BXYYHJJBQOUUNL-YRNRMSPPSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268460 1220257347 /nfs/dbraw/zinc/25/73/47/1220257347.db2.gz BXYYHJJBQOUUNL-YRNRMSPPSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268460 1220257349 /nfs/dbraw/zinc/25/73/49/1220257349.db2.gz BXYYHJJBQOUUNL-YRNRMSPPSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290335 1220270384 /nfs/dbraw/zinc/27/03/84/1220270384.db2.gz LLWYAUZMHDHFED-APWZRJJASA-N 2 1 360.502 0.697 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@]2(C)C1 ZINC001101299131 1220275763 /nfs/dbraw/zinc/27/57/63/1220275763.db2.gz JKAMUVVTAFNONC-UZLBHIALSA-N 2 1 365.437 0.478 20 30 FCEDMP CC[C@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363242 1220303170 /nfs/dbraw/zinc/30/31/70/1220303170.db2.gz RQZFAVAAOPWHSR-MDZRGWNJSA-N 2 1 363.506 0.527 20 30 FCEDMP CC[C@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363242 1220303175 /nfs/dbraw/zinc/30/31/75/1220303175.db2.gz RQZFAVAAOPWHSR-MDZRGWNJSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC#CCOC)C[C@@]3(C)C2)CC1 ZINC001101473056 1220364247 /nfs/dbraw/zinc/36/42/47/1220364247.db2.gz DHLOMODMJMECJD-CTNGQTDRSA-N 2 1 357.498 0.762 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040356 1220472742 /nfs/dbraw/zinc/47/27/42/1220472742.db2.gz GPRWRXWCJSRARN-KZNAEPCWSA-N 2 1 364.534 0.951 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040356 1220472743 /nfs/dbraw/zinc/47/27/43/1220472743.db2.gz GPRWRXWCJSRARN-KZNAEPCWSA-N 2 1 364.534 0.951 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040356 1220472745 /nfs/dbraw/zinc/47/27/45/1220472745.db2.gz GPRWRXWCJSRARN-KZNAEPCWSA-N 2 1 364.534 0.951 20 30 FCEDMP CC(C)C[N@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102040435 1220473104 /nfs/dbraw/zinc/47/31/04/1220473104.db2.gz JJMKDHBYKFXOIU-IXDOHACOSA-N 2 1 363.506 0.288 20 30 FCEDMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102040435 1220473109 /nfs/dbraw/zinc/47/31/09/1220473109.db2.gz JJMKDHBYKFXOIU-IXDOHACOSA-N 2 1 363.506 0.288 20 30 FCEDMP CC(C)C[NH+]1CC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102040435 1220473112 /nfs/dbraw/zinc/47/31/12/1220473112.db2.gz JJMKDHBYKFXOIU-IXDOHACOSA-N 2 1 363.506 0.288 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102045264 1220476029 /nfs/dbraw/zinc/47/60/29/1220476029.db2.gz ZDJMAAFVYACVHZ-OAGGEKHMSA-N 2 1 359.474 0.747 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102045264 1220476032 /nfs/dbraw/zinc/47/60/32/1220476032.db2.gz ZDJMAAFVYACVHZ-OAGGEKHMSA-N 2 1 359.474 0.747 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051976 1220478864 /nfs/dbraw/zinc/47/88/64/1220478864.db2.gz WLRUXSPLPPOATM-JFIYKMOQSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051976 1220478868 /nfs/dbraw/zinc/47/88/68/1220478868.db2.gz WLRUXSPLPPOATM-JFIYKMOQSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051976 1220478872 /nfs/dbraw/zinc/47/88/72/1220478872.db2.gz WLRUXSPLPPOATM-JFIYKMOQSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102370258 1220596908 /nfs/dbraw/zinc/59/69/08/1220596908.db2.gz VMXYBVBEFHIGPW-HYVNUMGLSA-N 2 1 371.485 0.187 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@H](C)C1 ZINC001102370258 1220596913 /nfs/dbraw/zinc/59/69/13/1220596913.db2.gz VMXYBVBEFHIGPW-HYVNUMGLSA-N 2 1 371.485 0.187 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102495547 1220656573 /nfs/dbraw/zinc/65/65/73/1220656573.db2.gz AXPYSFOHFILRLW-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102495547 1220656577 /nfs/dbraw/zinc/65/65/77/1220656577.db2.gz AXPYSFOHFILRLW-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@H](C)C1 ZINC001102495547 1220656579 /nfs/dbraw/zinc/65/65/79/1220656579.db2.gz AXPYSFOHFILRLW-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)C1=O ZINC001102580782 1220703730 /nfs/dbraw/zinc/70/37/30/1220703730.db2.gz LJDAGOVIWRJXIF-OIISXLGYSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)C1=O ZINC001102580782 1220703736 /nfs/dbraw/zinc/70/37/36/1220703736.db2.gz LJDAGOVIWRJXIF-OIISXLGYSA-N 2 1 359.474 0.663 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001102612718 1220729259 /nfs/dbraw/zinc/72/92/59/1220729259.db2.gz TVTLDKOUYTYORD-IAGOWNOFSA-N 2 1 363.506 0.576 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103376148 1220873701 /nfs/dbraw/zinc/87/37/01/1220873701.db2.gz MRVKUYQVADMTGE-BRWVUGGUSA-N 2 1 362.518 0.540 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396807 1220876955 /nfs/dbraw/zinc/87/69/55/1220876955.db2.gz KICPHMRDMFHULB-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NCC)C[C@H]2C)CC1 ZINC001103751478 1220964360 /nfs/dbraw/zinc/96/43/60/1220964360.db2.gz AJCWJQNKLQSUDY-SJLPKXTDSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC#CCOC)C3)CC1 ZINC001112003711 1221198073 /nfs/dbraw/zinc/19/80/73/1221198073.db2.gz AIDPANHVPYTQNS-FPOVZHCZSA-N 2 1 357.498 0.952 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000838622790 1222688927 /nfs/dbraw/zinc/68/89/27/1222688927.db2.gz NHWJJVZDNVUKAK-FQEVSTJZSA-N 2 1 358.486 0.878 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000838622790 1222688931 /nfs/dbraw/zinc/68/89/31/1222688931.db2.gz NHWJJVZDNVUKAK-FQEVSTJZSA-N 2 1 358.486 0.878 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000838622790 1222688933 /nfs/dbraw/zinc/68/89/33/1222688933.db2.gz NHWJJVZDNVUKAK-FQEVSTJZSA-N 2 1 358.486 0.878 20 30 FCEDMP C#CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000839369628 1222734702 /nfs/dbraw/zinc/73/47/02/1222734702.db2.gz IYACOSLVENMYON-QZTJIDSGSA-N 2 1 362.518 0.874 20 30 FCEDMP N#C[C@@H]1CNCCN1C(=O)[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1C[NH2+]CCC2 ZINC001157982103 1223085667 /nfs/dbraw/zinc/08/56/67/1223085667.db2.gz JBYSSWULLBGWTC-SFHLNBCPSA-N 2 1 367.497 0.812 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207538685 1223453801 /nfs/dbraw/zinc/45/38/01/1223453801.db2.gz TVFZWEJAGVAHPI-QRQLOZEOSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207538685 1223453810 /nfs/dbraw/zinc/45/38/10/1223453810.db2.gz TVFZWEJAGVAHPI-QRQLOZEOSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001207538685 1223453814 /nfs/dbraw/zinc/45/38/14/1223453814.db2.gz TVFZWEJAGVAHPI-QRQLOZEOSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001207538685 1223453818 /nfs/dbraw/zinc/45/38/18/1223453818.db2.gz TVFZWEJAGVAHPI-QRQLOZEOSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208091826 1223515697 /nfs/dbraw/zinc/51/56/97/1223515697.db2.gz AIJVDIICCQWLLQ-IAGOWNOFSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001208091826 1223515699 /nfs/dbraw/zinc/51/56/99/1223515699.db2.gz AIJVDIICCQWLLQ-IAGOWNOFSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163956 1223520314 /nfs/dbraw/zinc/52/03/14/1223520314.db2.gz LLFIWHLFTLKQSV-BRWVUGGUSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2([NH+](C)C)CCCC2)C1 ZINC001208163956 1223520317 /nfs/dbraw/zinc/52/03/17/1223520317.db2.gz LLFIWHLFTLKQSV-BRWVUGGUSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209958211 1223658524 /nfs/dbraw/zinc/65/85/24/1223658524.db2.gz ZNQRRFDFFDGEKQ-SOLBZPMBSA-N 2 1 362.518 0.681 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209958211 1223658526 /nfs/dbraw/zinc/65/85/26/1223658526.db2.gz ZNQRRFDFFDGEKQ-SOLBZPMBSA-N 2 1 362.518 0.681 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455723 1223801340 /nfs/dbraw/zinc/80/13/40/1223801340.db2.gz KPJQYBXYIMJGKB-RCCFBDPRSA-N 2 1 369.506 0.505 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)CC)C1 ZINC001214880347 1223951201 /nfs/dbraw/zinc/95/12/01/1223951201.db2.gz DNESMBRSMGFFND-ZACQAIPSSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(C)(C)CC)C1 ZINC001214880347 1223951204 /nfs/dbraw/zinc/95/12/04/1223951204.db2.gz DNESMBRSMGFFND-ZACQAIPSSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C)CC1 ZINC000988098745 1249345950 /nfs/dbraw/zinc/34/59/50/1249345950.db2.gz SJQIADFXPLYOMN-NJAFHUGGSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000940962756 1246418057 /nfs/dbraw/zinc/41/80/57/1246418057.db2.gz VYNBIEORGUCRKT-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000997792464 1251709919 /nfs/dbraw/zinc/70/99/19/1251709919.db2.gz GWOXUDIGIBLAHK-NXHRZFHOSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@H]2O)CC1 ZINC001078228640 1255343673 /nfs/dbraw/zinc/34/36/73/1255343673.db2.gz YSQSSMQQAKCBDT-RTBURBONSA-N 2 1 356.470 0.397 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@H]2O)CC1 ZINC001078228640 1255343682 /nfs/dbraw/zinc/34/36/82/1255343682.db2.gz YSQSSMQQAKCBDT-RTBURBONSA-N 2 1 356.470 0.397 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001080456098 1255897413 /nfs/dbraw/zinc/89/74/13/1255897413.db2.gz NWUBSZXYVNYMFY-ZACQAIPSSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C[NH+]3CCC(C)(C)C3)C2)C1=O ZINC001080456098 1255897426 /nfs/dbraw/zinc/89/74/26/1255897426.db2.gz NWUBSZXYVNYMFY-ZACQAIPSSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)C1=O ZINC001080456098 1255897434 /nfs/dbraw/zinc/89/74/34/1255897434.db2.gz NWUBSZXYVNYMFY-ZACQAIPSSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](C)[C@H](NC(=O)C[N@H+]3CCC(C)(C)C3)C2)C1=O ZINC001080456098 1255897445 /nfs/dbraw/zinc/89/74/45/1255897445.db2.gz NWUBSZXYVNYMFY-ZACQAIPSSA-N 2 1 362.518 0.942 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001083833799 1257587076 /nfs/dbraw/zinc/58/70/76/1257587076.db2.gz WBNTVXCAQDCKAV-MOPGFXCFSA-N 2 1 356.470 0.951 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC1 ZINC001083833799 1257587081 /nfs/dbraw/zinc/58/70/81/1257587081.db2.gz WBNTVXCAQDCKAV-MOPGFXCFSA-N 2 1 356.470 0.951 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@@H+](CCn4cncn4)[C@H]3C2)CC1 ZINC001085100558 1258594141 /nfs/dbraw/zinc/59/41/41/1258594141.db2.gz MQNFRLCYISXQPC-MJGOQNOKSA-N 2 1 370.501 0.546 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767888 1258958400 /nfs/dbraw/zinc/95/84/00/1258958400.db2.gz YMQSHLGBBDDUSJ-IXDOHACOSA-N 2 1 366.506 0.084 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CCC[C@@H]12 ZINC001107534091 1259110016 /nfs/dbraw/zinc/11/00/16/1259110016.db2.gz XBQSHWFCPCZORW-YVWKXTFCSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001109403476 1259158366 /nfs/dbraw/zinc/15/83/66/1259158366.db2.gz IRMCEBAPFMFRST-QZWWFDLISA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001109403476 1259158373 /nfs/dbraw/zinc/15/83/73/1259158373.db2.gz IRMCEBAPFMFRST-QZWWFDLISA-N 2 1 360.502 0.979 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215535963 1259534404 /nfs/dbraw/zinc/53/44/04/1259534404.db2.gz APFKADIQBUROLR-IXDOHACOSA-N 2 1 363.506 0.669 20 30 FCEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001251840380 1259764620 /nfs/dbraw/zinc/76/46/20/1259764620.db2.gz PEOFEZSCJRFZFI-FYQPLNBISA-N 2 1 373.501 0.464 20 30 FCEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001251840380 1259764625 /nfs/dbraw/zinc/76/46/25/1259764625.db2.gz PEOFEZSCJRFZFI-FYQPLNBISA-N 2 1 373.501 0.464 20 30 FCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001251840380 1259764632 /nfs/dbraw/zinc/76/46/32/1259764632.db2.gz PEOFEZSCJRFZFI-FYQPLNBISA-N 2 1 373.501 0.464 20 30 FCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001251840380 1259764639 /nfs/dbraw/zinc/76/46/39/1259764639.db2.gz PEOFEZSCJRFZFI-FYQPLNBISA-N 2 1 373.501 0.464 20 30 FCEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252463488 1259790694 /nfs/dbraw/zinc/79/06/94/1259790694.db2.gz PDSUCHUQBWWSFY-GUDVDZBRSA-N 2 1 365.518 0.957 20 30 FCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001336779957 1260221792 /nfs/dbraw/zinc/22/17/92/1260221792.db2.gz MILLIKSIMVWPSY-INIZCTEOSA-N 2 1 355.438 0.721 20 30 FCEDMP C#CCOCC[N@@H+](C)CC(=O)NCc1ccccc1CN1CCOCC1 ZINC001319554444 1263706824 /nfs/dbraw/zinc/70/68/24/1263706824.db2.gz AXDSXQGNVAEBTL-UHFFFAOYSA-N 2 1 359.470 0.717 20 30 FCEDMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001322217521 1264167631 /nfs/dbraw/zinc/16/76/31/1264167631.db2.gz YXKVJYPYCQHLSQ-UHFFFAOYSA-N 2 1 371.485 0.659 20 30 FCEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCc1ccc(C#N)cc1 ZINC001322217521 1264167635 /nfs/dbraw/zinc/16/76/35/1264167635.db2.gz YXKVJYPYCQHLSQ-UHFFFAOYSA-N 2 1 371.485 0.659 20 30 FCEDMP C#CCN(CCOC)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCn1cc[nH+]c1C ZINC001574666745 1271469509 /nfs/dbraw/zinc/46/95/09/1271469509.db2.gz GZZUXDYKHRCGQP-IYBDPMFKSA-N 2 1 357.462 0.774 20 30 FCEDMP CC[N@H+]1CC[C@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001577763428 1274846171 /nfs/dbraw/zinc/84/61/71/1274846171.db2.gz BAERMFBWSUETFK-JONQDZQNSA-N 2 1 359.478 0.553 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001588351353 1282446469 /nfs/dbraw/zinc/44/64/69/1282446469.db2.gz PYPSTODXURMAPO-PBHICJAKSA-N 2 1 367.457 0.559 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001588351353 1282446478 /nfs/dbraw/zinc/44/64/78/1282446478.db2.gz PYPSTODXURMAPO-PBHICJAKSA-N 2 1 367.457 0.559 20 30 FCEDMP C#CCNC(=O)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001699875189 1289568482 /nfs/dbraw/zinc/56/84/82/1289568482.db2.gz SLUNDQJZOZOQRZ-SQGPQFPESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001699875189 1289568489 /nfs/dbraw/zinc/56/84/89/1289568489.db2.gz SLUNDQJZOZOQRZ-SQGPQFPESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001699875189 1289568495 /nfs/dbraw/zinc/56/84/95/1289568495.db2.gz SLUNDQJZOZOQRZ-SQGPQFPESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001699875189 1289568505 /nfs/dbraw/zinc/56/85/05/1289568505.db2.gz SLUNDQJZOZOQRZ-SQGPQFPESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001689191175 1294659587 /nfs/dbraw/zinc/65/95/87/1294659587.db2.gz ZDMLQLKXXAQGKV-ZWKOTPCHSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001689191175 1294659598 /nfs/dbraw/zinc/65/95/98/1294659598.db2.gz ZDMLQLKXXAQGKV-ZWKOTPCHSA-N 2 1 362.518 0.825 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070273799 837642560 /nfs/dbraw/zinc/64/25/60/837642560.db2.gz HNZIQIQBQPFUNL-KFWWJZLASA-N 2 1 352.870 0.856 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070273799 837642562 /nfs/dbraw/zinc/64/25/62/837642562.db2.gz HNZIQIQBQPFUNL-KFWWJZLASA-N 2 1 352.870 0.856 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102600117 844590759 /nfs/dbraw/zinc/59/07/59/844590759.db2.gz NDTFIAOQJIZIOQ-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600117 844590764 /nfs/dbraw/zinc/59/07/64/844590764.db2.gz NDTFIAOQJIZIOQ-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600117 844590771 /nfs/dbraw/zinc/59/07/71/844590771.db2.gz NDTFIAOQJIZIOQ-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001103086935 844698832 /nfs/dbraw/zinc/69/88/32/844698832.db2.gz XXUTXNHODZWECG-QGPMSJSTSA-N 2 1 350.507 0.703 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550565 844778681 /nfs/dbraw/zinc/77/86/81/844778681.db2.gz WZCSKFUJGHERRN-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105066900 844976777 /nfs/dbraw/zinc/97/67/77/844976777.db2.gz FXOMUPNIKTTYDQ-BRWVUGGUSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106907246 845284634 /nfs/dbraw/zinc/28/46/34/845284634.db2.gz AWPPNQIZGHWYSR-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001107646130 845415199 /nfs/dbraw/zinc/41/51/99/845415199.db2.gz DKUDBDDXVIFUGT-VQIMIIECSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646130 845415203 /nfs/dbraw/zinc/41/52/03/845415203.db2.gz DKUDBDDXVIFUGT-VQIMIIECSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001107646130 845415210 /nfs/dbraw/zinc/41/52/10/845415210.db2.gz DKUDBDDXVIFUGT-VQIMIIECSA-N 2 1 350.507 0.990 20 30 FCEDMP C=C[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276814214 861623596 /nfs/dbraw/zinc/62/35/96/861623596.db2.gz FLNCMNJAAQVKNY-IEBWSBKVSA-N 2 1 350.507 0.095 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276814214 861623602 /nfs/dbraw/zinc/62/36/02/861623602.db2.gz FLNCMNJAAQVKNY-IEBWSBKVSA-N 2 1 350.507 0.095 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166177 846429198 /nfs/dbraw/zinc/42/91/98/846429198.db2.gz IIKDWJFAXWEKCL-RRFJBIMHSA-N 2 1 361.408 0.957 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166177 846429200 /nfs/dbraw/zinc/42/92/00/846429200.db2.gz IIKDWJFAXWEKCL-RRFJBIMHSA-N 2 1 361.408 0.957 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337598 848833028 /nfs/dbraw/zinc/83/30/28/848833028.db2.gz PEFIGQOPNUOBES-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337598 848833038 /nfs/dbraw/zinc/83/30/38/848833038.db2.gz PEFIGQOPNUOBES-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277775316 862067345 /nfs/dbraw/zinc/06/73/45/862067345.db2.gz MUKPULLYCXBSMF-PKOBYXMFSA-N 2 1 353.507 0.816 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001208396050 853925506 /nfs/dbraw/zinc/92/55/06/853925506.db2.gz MKXBJHNXOUTOOY-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001208396050 853925511 /nfs/dbraw/zinc/92/55/11/853925511.db2.gz MKXBJHNXOUTOOY-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208396050 853925514 /nfs/dbraw/zinc/92/55/14/853925514.db2.gz MKXBJHNXOUTOOY-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001208396050 853925517 /nfs/dbraw/zinc/92/55/17/853925517.db2.gz MKXBJHNXOUTOOY-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214343753 854928558 /nfs/dbraw/zinc/92/85/58/854928558.db2.gz FIJPFXDOHVHYEF-ZACQAIPSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001215036082 855056031 /nfs/dbraw/zinc/05/60/31/855056031.db2.gz MRPLFAOBNUZNGG-BRWVUGGUSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@H]2C1 ZINC001217941340 855383815 /nfs/dbraw/zinc/38/38/15/855383815.db2.gz DEEQJLUPYOGELD-XWTMOSNGSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001217941340 855383821 /nfs/dbraw/zinc/38/38/21/855383821.db2.gz DEEQJLUPYOGELD-XWTMOSNGSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@H]2C1 ZINC001217941340 855383827 /nfs/dbraw/zinc/38/38/27/855383827.db2.gz DEEQJLUPYOGELD-XWTMOSNGSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796753 855817116 /nfs/dbraw/zinc/81/71/16/855817116.db2.gz OSJMCPRZTKRMPW-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796753 855817123 /nfs/dbraw/zinc/81/71/23/855817123.db2.gz OSJMCPRZTKRMPW-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796753 855817133 /nfs/dbraw/zinc/81/71/33/855817133.db2.gz OSJMCPRZTKRMPW-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796753 855817144 /nfs/dbraw/zinc/81/71/44/855817144.db2.gz OSJMCPRZTKRMPW-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001226853099 857128888 /nfs/dbraw/zinc/12/88/88/857128888.db2.gz DKOHVXQIJPQUNW-ZACQAIPSSA-N 2 1 369.531 0.536 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCCS(C)(=O)=O ZINC001226853099 857128891 /nfs/dbraw/zinc/12/88/91/857128891.db2.gz DKOHVXQIJPQUNW-ZACQAIPSSA-N 2 1 369.531 0.536 20 30 FCEDMP C=CCOC[C@H](O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001252465487 857813914 /nfs/dbraw/zinc/81/39/14/857813914.db2.gz HQFHSLJJMFWMKM-MRXNPFEDSA-N 2 1 352.479 0.731 20 30 FCEDMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000329756062 529697248 /nfs/dbraw/zinc/69/72/48/529697248.db2.gz MAJMKTJSMQDEQL-RCCFBDPRSA-N 2 1 368.522 0.667 20 30 FCEDMP COc1ccc(OC)c([C@@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264113488 532980067 /nfs/dbraw/zinc/98/00/67/532980067.db2.gz RTJQGYWJAWZSFW-INIZCTEOSA-N 2 1 366.462 0.364 20 30 FCEDMP COc1cc(OC)c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(OC)c1 ZINC000264126013 533042912 /nfs/dbraw/zinc/04/29/12/533042912.db2.gz WOBCEZGLFLJLDU-UHFFFAOYSA-N 2 1 366.462 0.839 20 30 FCEDMP COc1ccc(CNC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000264083168 533551542 /nfs/dbraw/zinc/55/15/42/533551542.db2.gz IDNGSEDWCXIGSC-OAHLLOKOSA-N 2 1 363.506 0.992 20 30 FCEDMP [NH2+]=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCN(c2ncccn2)CC1 ZINC000262020148 229296609 /nfs/dbraw/zinc/29/66/09/229296609.db2.gz XPKHTMYDRSRRDA-UHFFFAOYSA-N 2 1 365.485 0.972 20 30 FCEDMP [NH2+]=C(NCC[N@H+]1CCc2ccccc2C1)N1CCN(c2ncccn2)CC1 ZINC000262020148 229296612 /nfs/dbraw/zinc/29/66/12/229296612.db2.gz XPKHTMYDRSRRDA-UHFFFAOYSA-N 2 1 365.485 0.972 20 30 FCEDMP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@H](C[NH+]3CCOCC3)C2)n1C ZINC000261661250 229284346 /nfs/dbraw/zinc/28/43/46/229284346.db2.gz ATCJNZSQXGNEIL-OAHLLOKOSA-N 2 1 361.494 0.386 20 30 FCEDMP COCCNC(=[NH2+])NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000264078810 229321728 /nfs/dbraw/zinc/32/17/28/229321728.db2.gz GQATWLYOBVZYAG-UHFFFAOYSA-N 2 1 363.462 0.398 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1Cn1cncn1 ZINC000264116462 229324192 /nfs/dbraw/zinc/32/41/92/229324192.db2.gz STKFMKIOUJIQOP-UHFFFAOYSA-N 2 1 357.462 0.453 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNc1ccccc1[N+](=O)[O-] ZINC000264130162 229325416 /nfs/dbraw/zinc/32/54/16/229325416.db2.gz TVPUODPRLQMNGH-UHFFFAOYSA-N 2 1 350.423 0.633 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000303880455 488892751 /nfs/dbraw/zinc/89/27/51/488892751.db2.gz KGTMVRZBDVUDKN-WBVHZDCISA-N 3 1 355.552 0.583 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000329586752 489018296 /nfs/dbraw/zinc/01/82/96/489018296.db2.gz YOHHHMPABJBGOC-UAGQMJEPSA-N 2 1 354.495 0.277 20 30 FCEDMP COCC[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1C ZINC000330215226 489080625 /nfs/dbraw/zinc/08/06/25/489080625.db2.gz GWYZAWOMYIVJST-JQHSSLGASA-N 2 1 368.522 0.931 20 30 FCEDMP COCC[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1C ZINC000330215226 489080627 /nfs/dbraw/zinc/08/06/27/489080627.db2.gz GWYZAWOMYIVJST-JQHSSLGASA-N 2 1 368.522 0.931 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000330450518 489103481 /nfs/dbraw/zinc/10/34/81/489103481.db2.gz YCHTYYWTDKNUSS-HNNXBMFYSA-N 2 1 353.511 0.821 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000297097454 489199553 /nfs/dbraw/zinc/19/95/53/489199553.db2.gz CORVSJLVGGFONP-UHFFFAOYSA-N 2 1 373.505 0.243 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000297097454 489199557 /nfs/dbraw/zinc/19/95/57/489199557.db2.gz CORVSJLVGGFONP-UHFFFAOYSA-N 2 1 373.505 0.243 20 30 FCEDMP C=CC[NH+](CC=C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)C(C)C ZINC000285824919 489323364 /nfs/dbraw/zinc/32/33/64/489323364.db2.gz UEISIRWDNCRYIV-MRXNPFEDSA-N 2 1 371.547 0.968 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908161 489727954 /nfs/dbraw/zinc/72/79/54/489727954.db2.gz VOCUIHCTYNPDKM-CVEARBPZSA-N 2 1 351.495 0.487 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908161 489727958 /nfs/dbraw/zinc/72/79/58/489727958.db2.gz VOCUIHCTYNPDKM-CVEARBPZSA-N 2 1 351.495 0.487 20 30 FCEDMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000423034568 490526387 /nfs/dbraw/zinc/52/63/87/490526387.db2.gz IEQSUVPUHJUJAN-UHFFFAOYSA-N 2 1 371.485 0.660 20 30 FCEDMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000423034568 490526391 /nfs/dbraw/zinc/52/63/91/490526391.db2.gz IEQSUVPUHJUJAN-UHFFFAOYSA-N 2 1 371.485 0.660 20 30 FCEDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C2 ZINC000530235902 490895306 /nfs/dbraw/zinc/89/53/06/490895306.db2.gz LJUJGJMMQXVEDU-IRXDYDNUSA-N 2 1 370.453 0.942 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000557767917 491396905 /nfs/dbraw/zinc/39/69/05/491396905.db2.gz CFZFOXUKINNOHN-UHFFFAOYSA-N 2 1 354.520 0.308 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000579091192 491690692 /nfs/dbraw/zinc/69/06/92/491690692.db2.gz DKOPISFZCPTKRE-SFHVURJKSA-N 2 1 357.458 0.764 20 30 FCEDMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000580301207 491724841 /nfs/dbraw/zinc/72/48/41/491724841.db2.gz NXQUDUZTHGNRHT-IBGZPJMESA-N 2 1 370.501 0.679 20 30 FCEDMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000600797966 491882488 /nfs/dbraw/zinc/88/24/88/491882488.db2.gz OQFIQUVOEYZUKX-UHFFFAOYSA-N 2 1 357.458 0.400 20 30 FCEDMP CCN(CC[NH3+])C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000600797966 491882489 /nfs/dbraw/zinc/88/24/89/491882489.db2.gz OQFIQUVOEYZUKX-UHFFFAOYSA-N 2 1 357.458 0.400 20 30 FCEDMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000595280429 491911986 /nfs/dbraw/zinc/91/19/86/491911986.db2.gz BQBMRXKKXGOYNX-OAHLLOKOSA-N 2 1 357.458 0.317 20 30 FCEDMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000595280429 491911989 /nfs/dbraw/zinc/91/19/89/491911989.db2.gz BQBMRXKKXGOYNX-OAHLLOKOSA-N 2 1 357.458 0.317 20 30 FCEDMP C[NH+]=C(NCCN1CCSCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262799682 526360107 /nfs/dbraw/zinc/36/01/07/526360107.db2.gz QUONFKCWBWHMCB-INIZCTEOSA-N 2 1 355.552 0.265 20 30 FCEDMP C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000262356272 526371500 /nfs/dbraw/zinc/37/15/00/526371500.db2.gz FZBOVBQFZOZHMB-YQQAZPJKSA-N 2 1 368.547 0.945 20 30 FCEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000261738274 527812064 /nfs/dbraw/zinc/81/20/64/527812064.db2.gz KJFWZEJEAIVGLA-FZKQIMNGSA-N 2 1 364.494 0.214 20 30 FCEDMP CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000409592828 528378838 /nfs/dbraw/zinc/37/88/38/528378838.db2.gz SUUIUXFTBVOTPO-INIZCTEOSA-N 2 1 359.540 0.815 20 30 FCEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179074969 528815883 /nfs/dbraw/zinc/81/58/83/528815883.db2.gz JSTILPMMIFNXLA-NVXWUHKLSA-N 2 1 356.536 0.474 20 30 FCEDMP COC[C@H](C)NC(=[NH2+])NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000303867164 674572781 /nfs/dbraw/zinc/57/27/81/674572781.db2.gz CRTNFXMZMLFFRY-AWEZNQCLSA-N 2 1 357.499 0.868 20 30 FCEDMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000083102180 666879828 /nfs/dbraw/zinc/87/98/28/666879828.db2.gz RRGBTUQCBWCNIZ-JTQLQIEISA-N 2 1 357.505 0.297 20 30 FCEDMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083102180 666879834 /nfs/dbraw/zinc/87/98/34/666879834.db2.gz RRGBTUQCBWCNIZ-JTQLQIEISA-N 2 1 357.505 0.297 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1c[nH+]cc1C ZINC001691364087 1171209528 /nfs/dbraw/zinc/20/95/28/1171209528.db2.gz VFAJROZOYGFEEA-OIISXLGYSA-N 2 1 359.474 0.546 20 30 FCEDMP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC001105474572 1192774285 /nfs/dbraw/zinc/77/42/85/1192774285.db2.gz LLXFHUYICSRHSO-BOHSKOPMSA-N 2 1 363.502 0.859 20 30 FCEDMP CC#CC[NH2+]C1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC001105474572 1192774288 /nfs/dbraw/zinc/77/42/88/1192774288.db2.gz LLXFHUYICSRHSO-BOHSKOPMSA-N 2 1 363.502 0.859 20 30 FCEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104682208 1182364365 /nfs/dbraw/zinc/36/43/65/1182364365.db2.gz HJZGXZPNZULQJT-HZPDHXFCSA-N 2 1 365.522 0.678 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]3C2)C1=O ZINC001691585253 1193741187 /nfs/dbraw/zinc/74/11/87/1193741187.db2.gz UNUHIQXKSDIDNA-FGTMMUONSA-N 2 1 362.518 0.894 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@@H]3C2)C1=O ZINC001691585253 1193741189 /nfs/dbraw/zinc/74/11/89/1193741189.db2.gz UNUHIQXKSDIDNA-FGTMMUONSA-N 2 1 362.518 0.894 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@@H]3C2)C1=O ZINC001691585253 1193741191 /nfs/dbraw/zinc/74/11/91/1193741191.db2.gz UNUHIQXKSDIDNA-FGTMMUONSA-N 2 1 362.518 0.894 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465514 1193765172 /nfs/dbraw/zinc/76/51/72/1193765172.db2.gz HURSRDRLNLIZET-OTWHNJEPSA-N 2 1 354.454 0.561 20 30 FCEDMP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465514 1193765175 /nfs/dbraw/zinc/76/51/75/1193765175.db2.gz HURSRDRLNLIZET-OTWHNJEPSA-N 2 1 354.454 0.561 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474754 1193909061 /nfs/dbraw/zinc/90/90/61/1193909061.db2.gz YQGMVTPNVJFEOW-MANSERQUSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083474754 1193909066 /nfs/dbraw/zinc/90/90/66/1193909066.db2.gz YQGMVTPNVJFEOW-MANSERQUSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474754 1193909071 /nfs/dbraw/zinc/90/90/71/1193909071.db2.gz YQGMVTPNVJFEOW-MANSERQUSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083474754 1193909075 /nfs/dbraw/zinc/90/90/75/1193909075.db2.gz YQGMVTPNVJFEOW-MANSERQUSA-N 2 1 356.470 0.950 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)C1=O ZINC001076107205 1194309091 /nfs/dbraw/zinc/30/90/91/1194309091.db2.gz MCPOHKJJYHGAKZ-GVDBMIGSSA-N 2 1 357.458 0.593 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001076604639 1194593402 /nfs/dbraw/zinc/59/34/02/1194593402.db2.gz PBPPNNNLTTVWMX-ZWKOTPCHSA-N 2 1 358.486 0.097 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCC4)C[C@H]32)CC1 ZINC001076604639 1194593404 /nfs/dbraw/zinc/59/34/04/1194593404.db2.gz PBPPNNNLTTVWMX-ZWKOTPCHSA-N 2 1 358.486 0.097 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](CC)CC)[C@H]3C2)C1=O ZINC001218814431 1224229631 /nfs/dbraw/zinc/22/96/31/1224229631.db2.gz QXUTXTGNJIYJNR-YESZJQIVSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)CCC)[C@H]3C2)C1=O ZINC001219006489 1224287236 /nfs/dbraw/zinc/28/72/36/1224287236.db2.gz KXSGERIZHWRSHK-IXDOHACOSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CCC)[C@H]3C2)C1=O ZINC001219006489 1224287246 /nfs/dbraw/zinc/28/72/46/1224287246.db2.gz KXSGERIZHWRSHK-IXDOHACOSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)CCC)[C@H]3C2)C1=O ZINC001219006489 1224287251 /nfs/dbraw/zinc/28/72/51/1224287251.db2.gz KXSGERIZHWRSHK-IXDOHACOSA-N 2 1 364.490 0.027 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3OCCN(C(=O)C[N@H+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055147 1224322992 /nfs/dbraw/zinc/32/29/92/1224322992.db2.gz YTSQZYVIRZKYPS-IXDOHACOSA-N 2 1 364.490 0.025 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055147 1224323001 /nfs/dbraw/zinc/32/30/01/1224323001.db2.gz YTSQZYVIRZKYPS-IXDOHACOSA-N 2 1 364.490 0.025 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](C)C(C)C)[C@H]3C2)C1=O ZINC001219055147 1224323011 /nfs/dbraw/zinc/32/30/11/1224323011.db2.gz YTSQZYVIRZKYPS-IXDOHACOSA-N 2 1 364.490 0.025 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1 ZINC001106266539 1197806546 /nfs/dbraw/zinc/80/65/46/1197806546.db2.gz PPNDYMLBPQRUAI-QRQLOZEOSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2cnn(C)c2)[C@H](C)C1 ZINC001106266539 1197806548 /nfs/dbraw/zinc/80/65/48/1197806548.db2.gz PPNDYMLBPQRUAI-QRQLOZEOSA-N 2 1 357.502 0.744 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109979260 1200661668 /nfs/dbraw/zinc/66/16/68/1200661668.db2.gz YQTOKZGBATWBHJ-QZWWFDLISA-N 2 1 364.490 0.073 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109979260 1200661671 /nfs/dbraw/zinc/66/16/71/1200661671.db2.gz YQTOKZGBATWBHJ-QZWWFDLISA-N 2 1 364.490 0.073 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001110101804 1201286128 /nfs/dbraw/zinc/28/61/28/1201286128.db2.gz GNXRMURAWPKWOY-BDXSIMOUSA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001110101804 1201286133 /nfs/dbraw/zinc/28/61/33/1201286133.db2.gz GNXRMURAWPKWOY-BDXSIMOUSA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101804 1201286138 /nfs/dbraw/zinc/28/61/38/1201286138.db2.gz GNXRMURAWPKWOY-BDXSIMOUSA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001110101804 1201286141 /nfs/dbraw/zinc/28/61/41/1201286141.db2.gz GNXRMURAWPKWOY-BDXSIMOUSA-N 2 1 360.502 0.860 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1n1ccnn1 ZINC001129916954 1201427246 /nfs/dbraw/zinc/42/72/46/1201427246.db2.gz IKUUIIXZYRETAY-CVEARBPZSA-N 2 1 357.418 0.006 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC001130237951 1201560017 /nfs/dbraw/zinc/56/00/17/1201560017.db2.gz LRNNVRNEQAMGJR-KKUMJFAQSA-N 2 1 364.494 0.799 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)n1 ZINC001130238004 1201560524 /nfs/dbraw/zinc/56/05/24/1201560524.db2.gz NYZRDHXVPFNRKL-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@@H](C)C2)[nH]1 ZINC001130238004 1201560528 /nfs/dbraw/zinc/56/05/28/1201560528.db2.gz NYZRDHXVPFNRKL-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)[nH]1 ZINC001130238004 1201560532 /nfs/dbraw/zinc/56/05/32/1201560532.db2.gz NYZRDHXVPFNRKL-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001130783206 1202794687 /nfs/dbraw/zinc/79/46/87/1202794687.db2.gz PUTWTFNOVKTLRI-LXTVHRRPSA-N 2 1 360.462 0.204 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC[NH+](C)CC3)n[nH]2)O1 ZINC001130802201 1202803218 /nfs/dbraw/zinc/80/32/18/1202803218.db2.gz HJXFXBRRGWPVOH-LSDHHAIUSA-N 2 1 360.462 0.206 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945886 1202827668 /nfs/dbraw/zinc/82/76/68/1202827668.db2.gz FNKVVWUHWAHGLC-NUJGCVRESA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945886 1202827672 /nfs/dbraw/zinc/82/76/72/1202827672.db2.gz FNKVVWUHWAHGLC-NUJGCVRESA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cncn1C ZINC001131101060 1202862853 /nfs/dbraw/zinc/86/28/53/1202862853.db2.gz KPMIFLYVMPHFCJ-IAGOWNOFSA-N 2 1 363.506 0.849 20 30 FCEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001131522294 1202910646 /nfs/dbraw/zinc/91/06/46/1202910646.db2.gz AQVDRYCJXRCYFB-OWYHZJEWSA-N 2 1 363.502 0.715 20 30 FCEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001131522294 1202910649 /nfs/dbraw/zinc/91/06/49/1202910649.db2.gz AQVDRYCJXRCYFB-OWYHZJEWSA-N 2 1 363.502 0.715 20 30 FCEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001131606910 1202918607 /nfs/dbraw/zinc/91/86/07/1202918607.db2.gz MJPNTRNRTRLVKL-QRVBRYPASA-N 2 1 363.502 0.716 20 30 FCEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001131606910 1202918612 /nfs/dbraw/zinc/91/86/12/1202918612.db2.gz MJPNTRNRTRLVKL-QRVBRYPASA-N 2 1 363.502 0.716 20 30 FCEDMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O)[NH+](C)C ZINC001220376380 1224849056 /nfs/dbraw/zinc/84/90/56/1224849056.db2.gz XVOZIZYUZVLYIY-SQNIBIBYSA-N 2 1 360.458 0.590 20 30 FCEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O)[NH+](C)C ZINC001220376380 1224849059 /nfs/dbraw/zinc/84/90/59/1224849059.db2.gz XVOZIZYUZVLYIY-SQNIBIBYSA-N 2 1 360.458 0.590 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092278189 1205224613 /nfs/dbraw/zinc/22/46/13/1205224613.db2.gz JGYHAWFIJHTYAA-HLIPFELVSA-N 2 1 371.485 0.759 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092278189 1205224617 /nfs/dbraw/zinc/22/46/17/1205224617.db2.gz JGYHAWFIJHTYAA-HLIPFELVSA-N 2 1 371.485 0.759 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]2C)CC1 ZINC001093222815 1206061926 /nfs/dbraw/zinc/06/19/26/1206061926.db2.gz PKADSAUROUWBJH-RHSMWYFYSA-N 2 1 359.474 0.907 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nc(C)no3)C[C@H]2C)CC1 ZINC001093222815 1206061927 /nfs/dbraw/zinc/06/19/27/1206061927.db2.gz PKADSAUROUWBJH-RHSMWYFYSA-N 2 1 359.474 0.907 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956501 1207492418 /nfs/dbraw/zinc/49/24/18/1207492418.db2.gz MNBLOUVQXWVXBO-DLBZAZTESA-N 2 1 363.506 0.623 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188956501 1207492422 /nfs/dbraw/zinc/49/24/22/1207492422.db2.gz MNBLOUVQXWVXBO-DLBZAZTESA-N 2 1 363.506 0.623 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471256 1207551079 /nfs/dbraw/zinc/55/10/79/1207551079.db2.gz PWLJTTWOMQTFHY-DLBZAZTESA-N 2 1 363.506 0.623 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](CC)CC)[C@@H]2C1 ZINC001189471256 1207551085 /nfs/dbraw/zinc/55/10/85/1207551085.db2.gz PWLJTTWOMQTFHY-DLBZAZTESA-N 2 1 363.506 0.623 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612255 1207578605 /nfs/dbraw/zinc/57/86/05/1207578605.db2.gz MEZWTUXOKYERJZ-ZWKOTPCHSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612255 1207578608 /nfs/dbraw/zinc/57/86/08/1207578608.db2.gz MEZWTUXOKYERJZ-ZWKOTPCHSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832737 1207978231 /nfs/dbraw/zinc/97/82/31/1207978231.db2.gz RHRPBITZNDZRBA-MOXMWUHRSA-N 2 1 363.502 0.757 20 30 FCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832737 1207978234 /nfs/dbraw/zinc/97/82/34/1207978234.db2.gz RHRPBITZNDZRBA-MOXMWUHRSA-N 2 1 363.502 0.757 20 30 FCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832737 1207978235 /nfs/dbraw/zinc/97/82/35/1207978235.db2.gz RHRPBITZNDZRBA-MOXMWUHRSA-N 2 1 363.502 0.757 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709793 1209713194 /nfs/dbraw/zinc/71/31/94/1209713194.db2.gz LPSXGKHDKCSEBX-MLHJIOFPSA-N 2 1 372.513 0.722 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709793 1209713198 /nfs/dbraw/zinc/71/31/98/1209713198.db2.gz LPSXGKHDKCSEBX-MLHJIOFPSA-N 2 1 372.513 0.722 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000890365467 1210974996 /nfs/dbraw/zinc/97/49/96/1210974996.db2.gz UDPICNIMPDWRMQ-LJQANCHMSA-N 2 1 361.534 0.753 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000890365467 1210974997 /nfs/dbraw/zinc/97/49/97/1210974997.db2.gz UDPICNIMPDWRMQ-LJQANCHMSA-N 2 1 361.534 0.753 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831410 1210986999 /nfs/dbraw/zinc/98/69/99/1210986999.db2.gz YRUQKPTWTYOOTM-WEXBMKDWSA-N 2 1 361.486 0.774 20 30 FCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831410 1210987000 /nfs/dbraw/zinc/98/70/00/1210987000.db2.gz YRUQKPTWTYOOTM-WEXBMKDWSA-N 2 1 361.486 0.774 20 30 FCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831410 1210987002 /nfs/dbraw/zinc/98/70/02/1210987002.db2.gz YRUQKPTWTYOOTM-WEXBMKDWSA-N 2 1 361.486 0.774 20 30 FCEDMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(C#N)nc3)C2)C1=O ZINC001275923829 1211310332 /nfs/dbraw/zinc/31/03/32/1211310332.db2.gz YQLNSXGQAGOTGO-LJQANCHMSA-N 2 1 355.442 0.856 20 30 FCEDMP C=CCn1cc(C[N@@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275972711 1211319130 /nfs/dbraw/zinc/31/91/30/1211319130.db2.gz IHXVPBBXVHYITM-LJQANCHMSA-N 2 1 359.474 0.972 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000949864830 1212475046 /nfs/dbraw/zinc/47/50/46/1212475046.db2.gz LMMIKCPZVFMORD-BPQIPLTHSA-N 2 1 360.502 0.246 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3ccc(C#N)nn3)CC2)CC[N@H+]1C ZINC001111323599 1212642993 /nfs/dbraw/zinc/64/29/93/1212642993.db2.gz LJODSPPLSRSAHK-RHSMWYFYSA-N 2 1 371.489 0.681 20 30 FCEDMP CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111406180 1212991992 /nfs/dbraw/zinc/99/19/92/1212991992.db2.gz XPLZXQFNPFNXFX-HZMVEIRTSA-N 2 1 361.490 0.422 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000954632383 1213087585 /nfs/dbraw/zinc/08/75/85/1213087585.db2.gz WGDKYDHIJBNIHR-KSZLIROESA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000954632383 1213087590 /nfs/dbraw/zinc/08/75/90/1213087590.db2.gz WGDKYDHIJBNIHR-KSZLIROESA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000954632383 1213087592 /nfs/dbraw/zinc/08/75/92/1213087592.db2.gz WGDKYDHIJBNIHR-KSZLIROESA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000954632383 1213087597 /nfs/dbraw/zinc/08/75/97/1213087597.db2.gz WGDKYDHIJBNIHR-KSZLIROESA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968009841 1215272045 /nfs/dbraw/zinc/27/20/45/1215272045.db2.gz DJPBKTMSSWEXOE-NXHRZFHOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000968009841 1215272047 /nfs/dbraw/zinc/27/20/47/1215272047.db2.gz DJPBKTMSSWEXOE-NXHRZFHOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000968009841 1215272049 /nfs/dbraw/zinc/27/20/49/1215272049.db2.gz DJPBKTMSSWEXOE-NXHRZFHOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000968009841 1215272050 /nfs/dbraw/zinc/27/20/50/1215272050.db2.gz DJPBKTMSSWEXOE-NXHRZFHOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694181 1225645921 /nfs/dbraw/zinc/64/59/21/1225645921.db2.gz RQHXTWZMMSNAGC-KURKYZTESA-N 2 1 358.486 0.000 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222694181 1225645923 /nfs/dbraw/zinc/64/59/23/1225645923.db2.gz RQHXTWZMMSNAGC-KURKYZTESA-N 2 1 358.486 0.000 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140231 1225760223 /nfs/dbraw/zinc/76/02/23/1225760223.db2.gz IDLBQSJZSRHKAE-OTWHNJEPSA-N 2 1 363.502 0.527 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccncc3C#N)CC2)CC[N@@H+]1C ZINC001096258580 1218194642 /nfs/dbraw/zinc/19/46/42/1218194642.db2.gz AIHZSMUEUOMDMS-SJLPKXTDSA-N 2 1 370.501 0.922 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccncc3C#N)CC2)CC[N@H+]1C ZINC001096258580 1218194647 /nfs/dbraw/zinc/19/46/47/1218194647.db2.gz AIHZSMUEUOMDMS-SJLPKXTDSA-N 2 1 370.501 0.922 20 30 FCEDMP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226773034 1225853916 /nfs/dbraw/zinc/85/39/16/1225853916.db2.gz BNCHIWIKEYZITP-RBSFLKMASA-N 2 1 358.446 0.417 20 30 FCEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001227225804 1225866978 /nfs/dbraw/zinc/86/69/78/1225866978.db2.gz PNKSDKGTUVIIOQ-BRWVUGGUSA-N 2 1 363.506 0.764 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804057883 1219110177 /nfs/dbraw/zinc/11/01/77/1219110177.db2.gz CEBOFANYWNMPKC-SJORKVTESA-N 2 1 364.490 0.123 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC001227543223 1225878154 /nfs/dbraw/zinc/87/81/54/1225878154.db2.gz FQXBGJLBYONCJQ-HZPDHXFCSA-N 2 1 371.485 0.528 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]c3c2CCCC3)C[C@@H]1n1ccnn1 ZINC001070234774 1219310216 /nfs/dbraw/zinc/31/02/16/1219310216.db2.gz HCWYDDZVBKAVDJ-WBVHZDCISA-N 2 1 355.446 0.581 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001228168376 1225898369 /nfs/dbraw/zinc/89/83/69/1225898369.db2.gz ZWMCPZQQNIXQHJ-BRWVUGGUSA-N 2 1 366.506 0.415 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168376 1225898370 /nfs/dbraw/zinc/89/83/70/1225898370.db2.gz ZWMCPZQQNIXQHJ-BRWVUGGUSA-N 2 1 366.506 0.415 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3Cc2cnn(C)c2)CC1 ZINC001098463023 1219787772 /nfs/dbraw/zinc/78/77/72/1219787772.db2.gz YWHUNVZJHSPIBQ-QRVBRYPASA-N 2 1 355.486 0.987 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3Cc2cnn(C)c2)CC1 ZINC001098463023 1219787778 /nfs/dbraw/zinc/78/77/78/1219787778.db2.gz YWHUNVZJHSPIBQ-QRVBRYPASA-N 2 1 355.486 0.987 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001099079442 1219903677 /nfs/dbraw/zinc/90/36/77/1219903677.db2.gz CSPOWLNBHJMYCI-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001099079442 1219903680 /nfs/dbraw/zinc/90/36/80/1219903680.db2.gz CSPOWLNBHJMYCI-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079442 1219903684 /nfs/dbraw/zinc/90/36/84/1219903684.db2.gz CSPOWLNBHJMYCI-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001099079442 1219903687 /nfs/dbraw/zinc/90/36/87/1219903687.db2.gz CSPOWLNBHJMYCI-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)N(C)C)C3)CC1 ZINC001099174626 1219940485 /nfs/dbraw/zinc/94/04/85/1219940485.db2.gz WOARXUOBAFFWGF-PXNSSMCTSA-N 2 1 360.502 0.391 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243607 1220242355 /nfs/dbraw/zinc/24/23/55/1220242355.db2.gz RFBTXKGGIITTHB-YZLZLFLDSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243607 1220242359 /nfs/dbraw/zinc/24/23/59/1220242359.db2.gz RFBTXKGGIITTHB-YZLZLFLDSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@]2(C)C1 ZINC001101243607 1220242362 /nfs/dbraw/zinc/24/23/62/1220242362.db2.gz RFBTXKGGIITTHB-YZLZLFLDSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300121 1220276531 /nfs/dbraw/zinc/27/65/31/1220276531.db2.gz JIJQHKOWCSFIRI-FCEWJHQRSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300121 1220276536 /nfs/dbraw/zinc/27/65/36/1220276536.db2.gz JIJQHKOWCSFIRI-FCEWJHQRSA-N 2 1 359.474 0.663 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431516 1220341882 /nfs/dbraw/zinc/34/18/82/1220341882.db2.gz RIELCKNQOJIVES-FCEWJHQRSA-N 2 1 358.486 0.000 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)CCC)C[C@]3(C)C2)C1=O ZINC001101443475 1220347494 /nfs/dbraw/zinc/34/74/94/1220347494.db2.gz GWWYSAGICFDGRE-UWVAXJGDSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)CCC)C[C@]3(C)C2)C1=O ZINC001101443475 1220347498 /nfs/dbraw/zinc/34/74/98/1220347498.db2.gz GWWYSAGICFDGRE-UWVAXJGDSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)CCC)C[C@]3(C)C2)C1=O ZINC001101443475 1220347502 /nfs/dbraw/zinc/34/75/02/1220347502.db2.gz GWWYSAGICFDGRE-UWVAXJGDSA-N 2 1 362.518 0.895 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461753 1220360508 /nfs/dbraw/zinc/36/05/08/1220360508.db2.gz RQAKAFSMTRRVRT-OGWOLHLISA-N 2 1 357.458 0.110 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461753 1220360513 /nfs/dbraw/zinc/36/05/13/1220360513.db2.gz RQAKAFSMTRRVRT-OGWOLHLISA-N 2 1 357.458 0.110 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001101476382 1220368006 /nfs/dbraw/zinc/36/80/06/1220368006.db2.gz QJBOXQHUBYWMIT-HLIPFELVSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476382 1220368010 /nfs/dbraw/zinc/36/80/10/1220368010.db2.gz QJBOXQHUBYWMIT-HLIPFELVSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476382 1220368011 /nfs/dbraw/zinc/36/80/11/1220368011.db2.gz QJBOXQHUBYWMIT-HLIPFELVSA-N 2 1 362.518 0.943 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CC1([NH+](C)C)CCCC1 ZINC001102188750 1220542355 /nfs/dbraw/zinc/54/23/55/1220542355.db2.gz FSNGIRQOIICVQD-HZPDHXFCSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375496 1220598895 /nfs/dbraw/zinc/59/88/95/1220598895.db2.gz NABOCBSJOAXPIM-BRWVUGGUSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375496 1220598905 /nfs/dbraw/zinc/59/89/05/1220598905.db2.gz NABOCBSJOAXPIM-BRWVUGGUSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375496 1220598912 /nfs/dbraw/zinc/59/89/12/1220598912.db2.gz NABOCBSJOAXPIM-BRWVUGGUSA-N 2 1 362.518 0.540 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC[N@@H+]1C ZINC001102425505 1220620417 /nfs/dbraw/zinc/62/04/17/1220620417.db2.gz YVELXCVRPUQEEQ-SJLPKXTDSA-N 2 1 370.501 0.874 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC001102425505 1220620423 /nfs/dbraw/zinc/62/04/23/1220620423.db2.gz YVELXCVRPUQEEQ-SJLPKXTDSA-N 2 1 370.501 0.874 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469188 1220639200 /nfs/dbraw/zinc/63/92/00/1220639200.db2.gz UYFUSMFSYUHMNT-BRWVUGGUSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469188 1220639203 /nfs/dbraw/zinc/63/92/03/1220639203.db2.gz UYFUSMFSYUHMNT-BRWVUGGUSA-N 2 1 366.506 0.084 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577966 1220700335 /nfs/dbraw/zinc/70/03/35/1220700335.db2.gz FNWOEIDSQSQAHH-IXDOHACOSA-N 2 1 363.506 0.384 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102577966 1220700339 /nfs/dbraw/zinc/70/03/39/1220700339.db2.gz FNWOEIDSQSQAHH-IXDOHACOSA-N 2 1 363.506 0.384 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102577966 1220700342 /nfs/dbraw/zinc/70/03/42/1220700342.db2.gz FNWOEIDSQSQAHH-IXDOHACOSA-N 2 1 363.506 0.384 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001103308720 1220864903 /nfs/dbraw/zinc/86/49/03/1220864903.db2.gz FMRPCJVZMQIPAB-HZPDHXFCSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646610 1220927110 /nfs/dbraw/zinc/92/71/10/1220927110.db2.gz BLPVDYJFDWECGG-IXDOHACOSA-N 2 1 360.502 0.294 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001103724533 1220954123 /nfs/dbraw/zinc/95/41/23/1220954123.db2.gz IBRGOZBTFRUJRU-CEXWTWQISA-N 2 1 365.518 0.679 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2C)CC1 ZINC001103751659 1220964740 /nfs/dbraw/zinc/96/47/40/1220964740.db2.gz LIXMEHRMBPPHEI-SJLPKXTDSA-N 2 1 362.518 0.494 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868802 1221143208 /nfs/dbraw/zinc/14/32/08/1221143208.db2.gz LXMXRIJRRZOXJM-ZWOKBUDYSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001111868802 1221143213 /nfs/dbraw/zinc/14/32/13/1221143213.db2.gz LXMXRIJRRZOXJM-ZWOKBUDYSA-N 2 1 362.518 0.827 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938346 1221180028 /nfs/dbraw/zinc/18/00/28/1221180028.db2.gz XGKMGTRMJKYRRK-GUXCAODWSA-N 2 1 360.502 0.744 20 30 FCEDMP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)Cc1ccccc1 ZINC001230347655 1226076056 /nfs/dbraw/zinc/07/60/56/1226076056.db2.gz GGBXJJGXPDRKMV-QZTJIDSGSA-N 2 1 371.485 0.775 20 30 FCEDMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)Cc1ccccc1 ZINC001230347655 1226076059 /nfs/dbraw/zinc/07/60/59/1226076059.db2.gz GGBXJJGXPDRKMV-QZTJIDSGSA-N 2 1 371.485 0.775 20 30 FCEDMP C#C[C@](C)([NH3+])C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001159583265 1223129619 /nfs/dbraw/zinc/12/96/19/1223129619.db2.gz PLHFRUHTWUBUTM-IBGZPJMESA-N 2 1 354.458 0.569 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829311 1223651993 /nfs/dbraw/zinc/65/19/93/1223651993.db2.gz CBKXDQUWAGHFBC-BFYDXBDKSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829311 1223651995 /nfs/dbraw/zinc/65/19/95/1223651995.db2.gz CBKXDQUWAGHFBC-BFYDXBDKSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329568 1223682973 /nfs/dbraw/zinc/68/29/73/1223682973.db2.gz DKLGTRUMPMYUMM-IAGOWNOFSA-N 2 1 360.502 0.719 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329568 1223682976 /nfs/dbraw/zinc/68/29/76/1223682976.db2.gz DKLGTRUMPMYUMM-IAGOWNOFSA-N 2 1 360.502 0.719 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214880771 1223951851 /nfs/dbraw/zinc/95/18/51/1223951851.db2.gz UOWXXZKLFDTHIE-KFWWJZLASA-N 2 1 359.430 0.147 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)Nc2ccon2)C1 ZINC001214880771 1223951852 /nfs/dbraw/zinc/95/18/52/1223951852.db2.gz UOWXXZKLFDTHIE-KFWWJZLASA-N 2 1 359.430 0.147 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215540973 1224005075 /nfs/dbraw/zinc/00/50/75/1224005075.db2.gz SWFGNPJNCMJHSP-CLCXKQKWSA-N 2 1 366.481 0.385 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215540974 1224005143 /nfs/dbraw/zinc/00/51/43/1224005143.db2.gz SWFGNPJNCMJHSP-SPYBWZPUSA-N 2 1 366.481 0.385 20 30 FCEDMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001215767390 1224016771 /nfs/dbraw/zinc/01/67/71/1224016771.db2.gz SZSMOWBTTOCEHS-HUUCEWRRSA-N 2 1 360.462 0.473 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383756 1224047911 /nfs/dbraw/zinc/04/79/11/1224047911.db2.gz PIRFUALUWMLDKQ-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216849989 1224078459 /nfs/dbraw/zinc/07/84/59/1224078459.db2.gz CSTLKLOVSDAUKP-SZVBFZGTSA-N 2 1 356.470 0.475 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853906 1224079229 /nfs/dbraw/zinc/07/92/29/1224079229.db2.gz ONFCCXLZCLOQIG-QLFBSQMISA-N 2 1 367.494 0.163 20 30 FCEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923280475 1245703704 /nfs/dbraw/zinc/70/37/04/1245703704.db2.gz AWJNOMGHAHISRL-ZWKOTPCHSA-N 2 1 372.469 0.442 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000938039609 1245813064 /nfs/dbraw/zinc/81/30/64/1245813064.db2.gz PLKAULPJKWYHBD-FJIDUMEYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000938039609 1245813075 /nfs/dbraw/zinc/81/30/75/1245813075.db2.gz PLKAULPJKWYHBD-FJIDUMEYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000938039609 1245813082 /nfs/dbraw/zinc/81/30/82/1245813082.db2.gz PLKAULPJKWYHBD-FJIDUMEYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000938039609 1245813090 /nfs/dbraw/zinc/81/30/90/1245813090.db2.gz PLKAULPJKWYHBD-FJIDUMEYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@H]2O)CC1 ZINC001078227032 1255340066 /nfs/dbraw/zinc/34/00/66/1255340066.db2.gz FXAURXPOCRLTCM-VAMGGRTRSA-N 2 1 371.481 0.227 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCCO3)C[C@H]2OC)CC1 ZINC001082383051 1256733528 /nfs/dbraw/zinc/73/35/28/1256733528.db2.gz GBXNXNARYCBCQZ-IPMKNSEASA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCc4cnn(C)c4)C[C@H]32)CC1 ZINC001084849938 1258399515 /nfs/dbraw/zinc/39/95/15/1258399515.db2.gz AQVNUNSSTNTHKK-WOJBJXKFSA-N 2 1 369.513 0.841 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)C[C@@H]32)C1=O ZINC001085093794 1258588700 /nfs/dbraw/zinc/58/87/00/1258588700.db2.gz CYJIWLLNDJJDOO-BZSNNMDCSA-N 2 1 371.485 0.901 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)C[C@@H]32)C1=O ZINC001085093794 1258588708 /nfs/dbraw/zinc/58/87/08/1258588708.db2.gz CYJIWLLNDJJDOO-BZSNNMDCSA-N 2 1 371.485 0.901 20 30 FCEDMP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235327 1258750184 /nfs/dbraw/zinc/75/01/84/1258750184.db2.gz PFSXGLUVVWSCNT-NZSAHSFTSA-N 2 1 363.502 0.668 20 30 FCEDMP C#CC[NH+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235327 1258750188 /nfs/dbraw/zinc/75/01/88/1258750188.db2.gz PFSXGLUVVWSCNT-NZSAHSFTSA-N 2 1 363.502 0.668 20 30 FCEDMP C#CC[N@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235327 1258750198 /nfs/dbraw/zinc/75/01/98/1258750198.db2.gz PFSXGLUVVWSCNT-NZSAHSFTSA-N 2 1 363.502 0.668 20 30 FCEDMP C#CC[N@@H+]1CC[C@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235327 1258750203 /nfs/dbraw/zinc/75/02/03/1258750203.db2.gz PFSXGLUVVWSCNT-NZSAHSFTSA-N 2 1 363.502 0.668 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039777 1259022848 /nfs/dbraw/zinc/02/28/48/1259022848.db2.gz YLCCJCOAXHCSBU-HUUCEWRRSA-N 2 1 367.494 0.023 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410889 1259079049 /nfs/dbraw/zinc/07/90/49/1259079049.db2.gz ZMCBNLVAVALIJU-WOCWXWTJSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410889 1259079054 /nfs/dbraw/zinc/07/90/54/1259079054.db2.gz ZMCBNLVAVALIJU-WOCWXWTJSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410889 1259079060 /nfs/dbraw/zinc/07/90/60/1259079060.db2.gz ZMCBNLVAVALIJU-WOCWXWTJSA-N 2 1 360.502 0.437 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410463 1259079761 /nfs/dbraw/zinc/07/97/61/1259079761.db2.gz DRHXRJAMGNZQPW-WOCWXWTJSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410463 1259079766 /nfs/dbraw/zinc/07/97/66/1259079766.db2.gz DRHXRJAMGNZQPW-WOCWXWTJSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CCC[C@@H]12 ZINC001107410463 1259079774 /nfs/dbraw/zinc/07/97/74/1259079774.db2.gz DRHXRJAMGNZQPW-WOCWXWTJSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129080494 1259306710 /nfs/dbraw/zinc/30/67/10/1259306710.db2.gz QOWCXALKCYEVJG-SJORKVTESA-N 2 1 355.446 0.727 20 30 FCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129080494 1259306716 /nfs/dbraw/zinc/30/67/16/1259306716.db2.gz QOWCXALKCYEVJG-SJORKVTESA-N 2 1 355.446 0.727 20 30 FCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1n1ccnn1 ZINC001129228589 1259351128 /nfs/dbraw/zinc/35/11/28/1259351128.db2.gz YVJKITNGKYYPJX-MSOLQXFVSA-N 2 1 367.457 0.643 20 30 FCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@@H]1n1ccnn1 ZINC001129228589 1259351133 /nfs/dbraw/zinc/35/11/33/1259351133.db2.gz YVJKITNGKYYPJX-MSOLQXFVSA-N 2 1 367.457 0.643 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129253225 1259356434 /nfs/dbraw/zinc/35/64/34/1259356434.db2.gz SIHSSALLWVCDIA-IXDOHACOSA-N 2 1 364.494 0.408 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129253225 1259356442 /nfs/dbraw/zinc/35/64/42/1259356442.db2.gz SIHSSALLWVCDIA-IXDOHACOSA-N 2 1 364.494 0.408 20 30 FCEDMP C#CCCC[N@H+]1C[C@@H]2C(C(=O)Nc3cnn(CC[NH+](C)C)c3)=NO[C@@H]2C1 ZINC001279750507 1260927489 /nfs/dbraw/zinc/92/74/89/1260927489.db2.gz ZEEPZXDTXGVIJJ-JKSUJKDBSA-N 2 1 358.446 0.483 20 30 FCEDMP C#CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001574603553 1271407981 /nfs/dbraw/zinc/40/79/81/1271407981.db2.gz BEHGMPWFGOGJIV-KRWDZBQOSA-N 2 1 360.506 0.661 20 30 FCEDMP C#CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001574604915 1271409348 /nfs/dbraw/zinc/40/93/48/1271409348.db2.gz UHKWUAPUBPTMPR-IRXDYDNUSA-N 2 1 360.506 0.661 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@@H](C[NH2+]CCc3c[nH]nn3)C2)CC1 ZINC001574966930 1271686180 /nfs/dbraw/zinc/68/61/80/1271686180.db2.gz LHVPSAWKKBXKDL-WMZOPIPTSA-N 2 1 372.517 0.767 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CCc3c[nH]nn3)C2)CC1 ZINC001574966834 1271686243 /nfs/dbraw/zinc/68/62/43/1271686243.db2.gz IGLVMOFPGVFKLQ-INIZCTEOSA-N 2 1 358.490 0.473 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)CCc3cn[nH]n3)C2)CC1 ZINC001574966834 1271686253 /nfs/dbraw/zinc/68/62/53/1271686253.db2.gz IGLVMOFPGVFKLQ-INIZCTEOSA-N 2 1 358.490 0.473 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@@H+](C)CCc3cn[nH]n3)C2)CC1 ZINC001574966834 1271686262 /nfs/dbraw/zinc/68/62/62/1271686262.db2.gz IGLVMOFPGVFKLQ-INIZCTEOSA-N 2 1 358.490 0.473 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001588351393 1282445962 /nfs/dbraw/zinc/44/59/62/1282445962.db2.gz SDMMZQICYBWXDC-PBHICJAKSA-N 2 1 367.457 0.559 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001588351393 1282445966 /nfs/dbraw/zinc/44/59/66/1282445966.db2.gz SDMMZQICYBWXDC-PBHICJAKSA-N 2 1 367.457 0.559 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001692281289 1289441731 /nfs/dbraw/zinc/44/17/31/1289441731.db2.gz YKGYJZFBPFAXFA-SJORKVTESA-N 2 1 362.518 0.494 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001692281289 1289441737 /nfs/dbraw/zinc/44/17/37/1289441737.db2.gz YKGYJZFBPFAXFA-SJORKVTESA-N 2 1 362.518 0.494 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001692281289 1289441740 /nfs/dbraw/zinc/44/17/40/1289441740.db2.gz YKGYJZFBPFAXFA-SJORKVTESA-N 2 1 362.518 0.494 20 30 FCEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC001658113629 1291619139 /nfs/dbraw/zinc/61/91/39/1291619139.db2.gz AZINNPFCCNFBQK-UHFFFAOYSA-N 2 1 361.494 0.717 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001689230294 1294689310 /nfs/dbraw/zinc/68/93/10/1294689310.db2.gz WCEQYBXMUCXHLA-MSOLQXFVSA-N 2 1 362.518 0.919 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070194729 837632623 /nfs/dbraw/zinc/63/26/23/837632623.db2.gz KEFDFUIYMMJHLB-XHSDSOJGSA-N 2 1 364.881 0.714 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128982 838753789 /nfs/dbraw/zinc/75/37/89/838753789.db2.gz NNHSKUFQUNHLPN-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128982 838753792 /nfs/dbraw/zinc/75/37/92/838753792.db2.gz NNHSKUFQUNHLPN-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128982 838753797 /nfs/dbraw/zinc/75/37/97/838753797.db2.gz NNHSKUFQUNHLPN-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C2)C1=O ZINC001102475652 844516547 /nfs/dbraw/zinc/51/65/47/844516547.db2.gz YIRHBPRHLVXAMK-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102480181 844519460 /nfs/dbraw/zinc/51/94/60/844519460.db2.gz BDZHYCPAAGWPPN-IAGOWNOFSA-N 2 1 350.507 0.705 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275903 840858734 /nfs/dbraw/zinc/85/87/34/840858734.db2.gz BSUZGPCDXNMYFD-OKZBNKHCSA-N 2 1 351.491 0.833 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275903 840858746 /nfs/dbraw/zinc/85/87/46/840858746.db2.gz BSUZGPCDXNMYFD-OKZBNKHCSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001103003653 844682657 /nfs/dbraw/zinc/68/26/57/844682657.db2.gz WGCWUBABNKVGSS-QBPKDAKJSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001103003653 844682664 /nfs/dbraw/zinc/68/26/64/844682664.db2.gz WGCWUBABNKVGSS-QBPKDAKJSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001103003653 844682670 /nfs/dbraw/zinc/68/26/70/844682670.db2.gz WGCWUBABNKVGSS-QBPKDAKJSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001103433986 844756801 /nfs/dbraw/zinc/75/68/01/844756801.db2.gz QHJPCFXUXXACRI-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001103433986 844756807 /nfs/dbraw/zinc/75/68/07/844756807.db2.gz QHJPCFXUXXACRI-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001103433986 844756812 /nfs/dbraw/zinc/75/68/12/844756812.db2.gz QHJPCFXUXXACRI-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCN1C[C@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276629964 861505549 /nfs/dbraw/zinc/50/55/49/861505549.db2.gz HZKLKXSDYYZVJD-LJQANCHMSA-N 2 1 350.507 0.361 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104939425 844961820 /nfs/dbraw/zinc/96/18/20/844961820.db2.gz PFXACHIZXYWLPZ-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106110925 845102023 /nfs/dbraw/zinc/10/20/23/845102023.db2.gz BGDXKRLQRCMEEJ-BRWVUGGUSA-N 2 1 350.507 0.846 20 30 FCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577123 845199043 /nfs/dbraw/zinc/19/90/43/845199043.db2.gz AZUAOHWHWXYEBW-KZNAEPCWSA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577123 845199054 /nfs/dbraw/zinc/19/90/54/845199054.db2.gz AZUAOHWHWXYEBW-KZNAEPCWSA-N 2 1 351.491 0.430 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001111411012 846101114 /nfs/dbraw/zinc/10/11/14/846101114.db2.gz DSLQWSMCBRSATJ-MLHJIOFPSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111906015 846255727 /nfs/dbraw/zinc/25/57/27/846255727.db2.gz RWVRZQBZIHHLEU-HKUYNNGSSA-N 2 1 351.491 0.882 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001111906015 846255737 /nfs/dbraw/zinc/25/57/37/846255737.db2.gz RWVRZQBZIHHLEU-HKUYNNGSSA-N 2 1 351.491 0.882 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112182286 846443209 /nfs/dbraw/zinc/44/32/09/846443209.db2.gz YJWHOMDVTHQCAI-CHWSQXEVSA-N 2 1 362.396 0.057 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369803 848835279 /nfs/dbraw/zinc/83/52/79/848835279.db2.gz HGKBRHKEDIEENQ-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369803 848835282 /nfs/dbraw/zinc/83/52/82/848835282.db2.gz HGKBRHKEDIEENQ-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129369803 848835287 /nfs/dbraw/zinc/83/52/87/848835287.db2.gz HGKBRHKEDIEENQ-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cncn1C ZINC001131108331 849079286 /nfs/dbraw/zinc/07/92/86/849079286.db2.gz PVECLQIHBNMTFR-HUUCEWRRSA-N 2 1 369.897 0.635 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111191 851753947 /nfs/dbraw/zinc/75/39/47/851753947.db2.gz WUIYIXWLIMUNGH-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111191 851753953 /nfs/dbraw/zinc/75/39/53/851753953.db2.gz WUIYIXWLIMUNGH-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C#CCOC[C@@H](O)C[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001251893309 857765710 /nfs/dbraw/zinc/76/57/10/857765710.db2.gz ATALVRPIMWZJDH-INIZCTEOSA-N 2 1 357.495 0.823 20 30 FCEDMP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=S)NCC[NH+](C)C)[C@@H]3C2)cc1C#N ZINC001279975048 863160661 /nfs/dbraw/zinc/16/06/61/863160661.db2.gz CFHNNSDHDKDLMN-DOTOQJQBSA-N 2 1 360.531 0.839 20 30 FCEDMP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250534 214088083 /nfs/dbraw/zinc/08/80/83/214088083.db2.gz QUUMWRVIJGHDRA-NVXWUHKLSA-N 2 1 357.458 0.959 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419888115 246352229 /nfs/dbraw/zinc/35/22/29/246352229.db2.gz QWVUZRYVHUFBOO-KRWDZBQOSA-N 2 1 355.442 0.071 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419888115 246352234 /nfs/dbraw/zinc/35/22/34/246352234.db2.gz QWVUZRYVHUFBOO-KRWDZBQOSA-N 2 1 355.442 0.071 20 30 FCEDMP COc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(OC)c1OC ZINC000264121717 533421608 /nfs/dbraw/zinc/42/16/08/533421608.db2.gz VFZFJPFTBNSAQT-UHFFFAOYSA-N 2 1 366.462 0.839 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccnc1N1CCOCC1 ZINC000104164577 229161754 /nfs/dbraw/zinc/16/17/54/229161754.db2.gz UDTIXAPVCZFITK-UHFFFAOYSA-N 2 1 362.478 0.045 20 30 FCEDMP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262322850 229301404 /nfs/dbraw/zinc/30/14/04/229301404.db2.gz SGKKJCCKCWVZOQ-INIZCTEOSA-N 2 1 365.522 0.617 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000328986086 488958158 /nfs/dbraw/zinc/95/81/58/488958158.db2.gz ZVQOAEYHJOJISQ-KRWDZBQOSA-N 2 1 350.467 0.546 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000328986086 488958161 /nfs/dbraw/zinc/95/81/61/488958161.db2.gz ZVQOAEYHJOJISQ-KRWDZBQOSA-N 2 1 350.467 0.546 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000329130886 488972799 /nfs/dbraw/zinc/97/27/99/488972799.db2.gz OPHVCMSHACWMHC-LJQANCHMSA-N 2 1 366.506 0.877 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000329130886 488972800 /nfs/dbraw/zinc/97/28/00/488972800.db2.gz OPHVCMSHACWMHC-LJQANCHMSA-N 2 1 366.506 0.877 20 30 FCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(c2ccccc2F)CC1 ZINC000088663281 488456091 /nfs/dbraw/zinc/45/60/91/488456091.db2.gz XYJNGGFNOBLWIG-MRXNPFEDSA-N 2 1 362.497 0.769 20 30 FCEDMP CCS(=O)(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000271916792 488554143 /nfs/dbraw/zinc/55/41/43/488554143.db2.gz CRRZIRLBDXINKO-UHFFFAOYSA-N 2 1 368.503 0.607 20 30 FCEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000154919323 488748744 /nfs/dbraw/zinc/74/87/44/488748744.db2.gz GHWYDAPQRPIFHC-UHFFFAOYSA-N 2 1 371.485 0.772 20 30 FCEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CNC(=O)c1ccc(C#N)cc1 ZINC000154919323 488748746 /nfs/dbraw/zinc/74/87/46/488748746.db2.gz GHWYDAPQRPIFHC-UHFFFAOYSA-N 2 1 371.485 0.772 20 30 FCEDMP CCOC(=O)c1csc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)n1 ZINC000276349759 488784078 /nfs/dbraw/zinc/78/40/78/488784078.db2.gz KBHJHHAACVBIOX-UHFFFAOYSA-N 2 1 369.491 0.489 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000329586753 489018406 /nfs/dbraw/zinc/01/84/06/489018406.db2.gz YOHHHMPABJBGOC-USXIJHARSA-N 2 1 354.495 0.277 20 30 FCEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000330141348 489072708 /nfs/dbraw/zinc/07/27/08/489072708.db2.gz PXVPHJFGIHFSGV-IXDOHACOSA-N 2 1 363.506 0.766 20 30 FCEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000330141348 489072711 /nfs/dbraw/zinc/07/27/11/489072711.db2.gz PXVPHJFGIHFSGV-IXDOHACOSA-N 2 1 363.506 0.766 20 30 FCEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000330141348 489072713 /nfs/dbraw/zinc/07/27/13/489072713.db2.gz PXVPHJFGIHFSGV-IXDOHACOSA-N 2 1 363.506 0.766 20 30 FCEDMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000331112627 489174520 /nfs/dbraw/zinc/17/45/20/489174520.db2.gz JDVGUBQMMRMLQT-JKSUJKDBSA-N 2 1 353.511 0.869 20 30 FCEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)CC1 ZINC000521030846 490215721 /nfs/dbraw/zinc/21/57/21/490215721.db2.gz DRFDYUXBKDRKNZ-GOSISDBHSA-N 2 1 374.485 0.830 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000515240797 490814546 /nfs/dbraw/zinc/81/45/46/490814546.db2.gz SELHGSALRFGRLO-UHFFFAOYSA-N 2 1 350.507 0.943 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000572364152 491365223 /nfs/dbraw/zinc/36/52/23/491365223.db2.gz VSMDZYUIVZPZBF-XUVXKRRUSA-N 2 1 360.502 0.665 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000572364152 491365224 /nfs/dbraw/zinc/36/52/24/491365224.db2.gz VSMDZYUIVZPZBF-XUVXKRRUSA-N 2 1 360.502 0.665 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000561437501 491608712 /nfs/dbraw/zinc/60/87/12/491608712.db2.gz JFYUPUJIXUAECO-DOTOQJQBSA-N 2 1 350.507 0.942 20 30 FCEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000569474865 491664586 /nfs/dbraw/zinc/66/45/86/491664586.db2.gz TYYBLHGDIGNDHD-PKOBYXMFSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000569474865 491664589 /nfs/dbraw/zinc/66/45/89/491664589.db2.gz TYYBLHGDIGNDHD-PKOBYXMFSA-N 2 1 374.485 0.830 20 30 FCEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000579465050 491698297 /nfs/dbraw/zinc/69/82/97/491698297.db2.gz IDGHFKLSNAZFJH-QGZVFWFLSA-N 2 1 360.458 0.246 20 30 FCEDMP C[NH+]=C(NCCN1CCSCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261738475 526359436 /nfs/dbraw/zinc/35/94/36/526359436.db2.gz MFPNTYORKWRGPM-INIZCTEOSA-N 2 1 355.552 0.265 20 30 FCEDMP C[NH+]=C(NCCN1CCSCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261738477 526359487 /nfs/dbraw/zinc/35/94/87/526359487.db2.gz MFPNTYORKWRGPM-MRXNPFEDSA-N 2 1 355.552 0.265 20 30 FCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1CCc2nc(C)nn2C1 ZINC000262787215 526379940 /nfs/dbraw/zinc/37/99/40/526379940.db2.gz MUHBAGKCIKODHX-CZUORRHYSA-N 2 1 351.524 0.504 20 30 FCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000262578044 528256469 /nfs/dbraw/zinc/25/64/69/528256469.db2.gz PDXCMEIBLHLNEQ-IAGOWNOFSA-N 2 1 365.522 0.617 20 30 FCEDMP CCCNC(=O)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264078155 528459951 /nfs/dbraw/zinc/45/99/51/528459951.db2.gz GKNYGAWDNWSLMU-UHFFFAOYSA-N 2 1 361.490 0.953 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262575203 528809447 /nfs/dbraw/zinc/80/94/47/528809447.db2.gz OAZLLFQVESHRLX-IRXDYDNUSA-N 2 1 365.522 0.617 20 30 FCEDMP CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261940434 528814134 /nfs/dbraw/zinc/81/41/34/528814134.db2.gz DKYVLPPDJLJXHV-FVQBIDKESA-N 2 1 371.551 0.448 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000264124096 529100601 /nfs/dbraw/zinc/10/06/01/529100601.db2.gz VYIQHGRMWBOBPC-SFHVURJKSA-N 2 1 372.517 0.724 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000264087923 529101528 /nfs/dbraw/zinc/10/15/28/529101528.db2.gz JZECUPJTWCNXGX-AWEZNQCLSA-N 2 1 363.462 0.448 20 30 FCEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431612 663532992 /nfs/dbraw/zinc/53/29/92/663532992.db2.gz SOZUHZQGSJVLPT-LMMKCTJWSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)CC[NH+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431612 663532995 /nfs/dbraw/zinc/53/29/95/663532995.db2.gz SOZUHZQGSJVLPT-LMMKCTJWSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)CC[N@@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431612 663532997 /nfs/dbraw/zinc/53/29/97/663532997.db2.gz SOZUHZQGSJVLPT-LMMKCTJWSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)CC[N@H+]1CCO[C@@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431612 663532999 /nfs/dbraw/zinc/53/29/99/663532999.db2.gz SOZUHZQGSJVLPT-LMMKCTJWSA-N 2 1 351.491 0.975 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000303986786 674574125 /nfs/dbraw/zinc/57/41/25/674574125.db2.gz UXHIOTPKWSJKGA-CVEARBPZSA-N 3 1 352.527 0.318 20 30 FCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303986786 674574127 /nfs/dbraw/zinc/57/41/27/674574127.db2.gz UXHIOTPKWSJKGA-CVEARBPZSA-N 3 1 352.527 0.318 20 30 FCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303986786 674574128 /nfs/dbraw/zinc/57/41/28/674574128.db2.gz UXHIOTPKWSJKGA-CVEARBPZSA-N 3 1 352.527 0.318 20 30 FCEDMP CC(C)(C)OC(=O)NC(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304734745 674582652 /nfs/dbraw/zinc/58/26/52/674582652.db2.gz RYZMNMYMJIBEEO-UHFFFAOYSA-N 2 1 357.499 0.916 20 30 FCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000304761391 674583077 /nfs/dbraw/zinc/58/30/77/674583077.db2.gz UKAUUCKKQSGPHO-AWEZNQCLSA-N 2 1 355.483 0.480 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000930007288 673992100 /nfs/dbraw/zinc/99/21/00/673992100.db2.gz OHPIJXYJNMRPKA-KRWDZBQOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)CC1 ZINC000930007288 673992102 /nfs/dbraw/zinc/99/21/02/673992102.db2.gz OHPIJXYJNMRPKA-KRWDZBQOSA-N 2 1 350.507 0.942 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC=C)C1 ZINC001104305986 1169873159 /nfs/dbraw/zinc/87/31/59/1169873159.db2.gz DRWZYUWQMAMMAH-KURKYZTESA-N 2 1 360.502 0.460 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC=C)C1 ZINC001104305986 1169873160 /nfs/dbraw/zinc/87/31/60/1169873160.db2.gz DRWZYUWQMAMMAH-KURKYZTESA-N 2 1 360.502 0.460 20 30 FCEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098610752 1182977147 /nfs/dbraw/zinc/97/71/47/1182977147.db2.gz PZICUFAFKRYFMI-FGTMMUONSA-N 2 1 363.502 0.811 20 30 FCEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098610752 1182977153 /nfs/dbraw/zinc/97/71/53/1182977153.db2.gz PZICUFAFKRYFMI-FGTMMUONSA-N 2 1 363.502 0.811 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974596052 1183374429 /nfs/dbraw/zinc/37/44/29/1183374429.db2.gz ZSMXGSRLODKHPO-FGTMMUONSA-N 2 1 370.497 0.239 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000974596052 1183374436 /nfs/dbraw/zinc/37/44/36/1183374436.db2.gz ZSMXGSRLODKHPO-FGTMMUONSA-N 2 1 370.497 0.239 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465515 1193765025 /nfs/dbraw/zinc/76/50/25/1193765025.db2.gz HURSRDRLNLIZET-QRVBRYPASA-N 2 1 354.454 0.561 20 30 FCEDMP N#Cc1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)cc1 ZINC001083465515 1193765028 /nfs/dbraw/zinc/76/50/28/1193765028.db2.gz HURSRDRLNLIZET-QRVBRYPASA-N 2 1 354.454 0.561 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000553329422 1193989311 /nfs/dbraw/zinc/98/93/11/1193989311.db2.gz FWOKNFOUKYBZQB-OAHLLOKOSA-N 2 1 366.506 0.057 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000553329422 1193989313 /nfs/dbraw/zinc/98/93/13/1193989313.db2.gz FWOKNFOUKYBZQB-OAHLLOKOSA-N 2 1 366.506 0.057 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076467109 1194501671 /nfs/dbraw/zinc/50/16/71/1194501671.db2.gz DBOWRTKWFCACHB-YESZJQIVSA-N 2 1 358.486 0.402 20 30 FCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106246560 1197779243 /nfs/dbraw/zinc/77/92/43/1197779243.db2.gz OLNUQYDLSDASEH-KURKYZTESA-N 2 1 361.490 0.147 20 30 FCEDMP C#C[C@](C)([NH3+])C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726449 1224579271 /nfs/dbraw/zinc/57/92/71/1224579271.db2.gz JNCBORJIPKLZBB-QUCCMNQESA-N 3 1 354.498 0.955 20 30 FCEDMP C#C[C@](C)(N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726449 1224579277 /nfs/dbraw/zinc/57/92/77/1224579277.db2.gz JNCBORJIPKLZBB-QUCCMNQESA-N 2 1 354.498 0.955 20 30 FCEDMP C#C[C@](C)(N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219726449 1224579287 /nfs/dbraw/zinc/57/92/87/1224579287.db2.gz JNCBORJIPKLZBB-QUCCMNQESA-N 2 1 354.498 0.955 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386107 1200110357 /nfs/dbraw/zinc/11/03/57/1200110357.db2.gz XTKPQFMNDWGQPC-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386107 1200110359 /nfs/dbraw/zinc/11/03/59/1200110359.db2.gz XTKPQFMNDWGQPC-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386107 1200110363 /nfs/dbraw/zinc/11/03/63/1200110363.db2.gz XTKPQFMNDWGQPC-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918396 1200605205 /nfs/dbraw/zinc/60/52/05/1200605205.db2.gz GEUJRISCSOEPBM-NQYYFHDYSA-N 2 1 374.529 0.966 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918396 1200605207 /nfs/dbraw/zinc/60/52/07/1200605207.db2.gz GEUJRISCSOEPBM-NQYYFHDYSA-N 2 1 374.529 0.966 20 30 FCEDMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112564001 1200800240 /nfs/dbraw/zinc/80/02/40/1200800240.db2.gz YJLMPUBFVWPAGL-GJYPPUQNSA-N 2 1 361.490 0.186 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129484729 1201331304 /nfs/dbraw/zinc/33/13/04/1201331304.db2.gz DUTKRZDRWQRAJW-MSOLQXFVSA-N 2 1 358.490 0.909 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892480 1201416229 /nfs/dbraw/zinc/41/62/29/1201416229.db2.gz ZKZRWCHKRYUCLE-PMPSAXMXSA-N 2 1 353.430 0.417 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030561 1201480715 /nfs/dbraw/zinc/48/07/15/1201480715.db2.gz GLYQMZONHDTSHE-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030738 1201480978 /nfs/dbraw/zinc/48/09/78/1201480978.db2.gz PDLWEXKGLKSBJX-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132373 1201512795 /nfs/dbraw/zinc/51/27/95/1201512795.db2.gz CPFAQLNSOROJDC-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132373 1201512799 /nfs/dbraw/zinc/51/27/99/1201512799.db2.gz CPFAQLNSOROJDC-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)n1 ZINC001130213040 1201544727 /nfs/dbraw/zinc/54/47/27/1201544727.db2.gz QMKRERIIIIMWAN-JONQDZQNSA-N 2 1 374.489 0.247 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[nH]1 ZINC001130213040 1201544730 /nfs/dbraw/zinc/54/47/30/1201544730.db2.gz QMKRERIIIIMWAN-JONQDZQNSA-N 2 1 374.489 0.247 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[nH]1 ZINC001130213040 1201544734 /nfs/dbraw/zinc/54/47/34/1201544734.db2.gz QMKRERIIIIMWAN-JONQDZQNSA-N 2 1 374.489 0.247 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C2(C[NH+](C)C)CC2)n1 ZINC001130232931 1201558431 /nfs/dbraw/zinc/55/84/31/1201558431.db2.gz UVWDSMDGBHNSSQ-KBPBESRZSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001130232931 1201558435 /nfs/dbraw/zinc/55/84/35/1201558435.db2.gz UVWDSMDGBHNSSQ-KBPBESRZSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001130238153 1201561273 /nfs/dbraw/zinc/56/12/73/1201561273.db2.gz WDBSHUIKVFHCGI-ILXRZTDVSA-N 2 1 362.478 0.553 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@H]2C)[nH]1 ZINC001130238153 1201561275 /nfs/dbraw/zinc/56/12/75/1201561275.db2.gz WDBSHUIKVFHCGI-ILXRZTDVSA-N 2 1 362.478 0.553 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@H]2C)[nH]1 ZINC001130238153 1201561279 /nfs/dbraw/zinc/56/12/79/1201561279.db2.gz WDBSHUIKVFHCGI-ILXRZTDVSA-N 2 1 362.478 0.553 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCCC[NH+](C)C)[nH]1 ZINC001130247236 1201567351 /nfs/dbraw/zinc/56/73/51/1201567351.db2.gz ZRRXVBJXAFBBSJ-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531767 1202709834 /nfs/dbraw/zinc/70/98/34/1202709834.db2.gz FOSYMEGZFMCFAC-JQHSSLGASA-N 2 1 361.490 0.601 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130815817 1202806758 /nfs/dbraw/zinc/80/67/58/1202806758.db2.gz BAYAKTNOEALXHX-SOUVJXGZSA-N 2 1 362.478 0.758 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130815817 1202806760 /nfs/dbraw/zinc/80/67/60/1202806760.db2.gz BAYAKTNOEALXHX-SOUVJXGZSA-N 2 1 362.478 0.758 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130815817 1202806762 /nfs/dbraw/zinc/80/67/62/1202806762.db2.gz BAYAKTNOEALXHX-SOUVJXGZSA-N 2 1 362.478 0.758 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1 ZINC001131115461 1202864488 /nfs/dbraw/zinc/86/44/88/1202864488.db2.gz NHOBLBBZEVABND-IAGOWNOFSA-N 2 1 361.490 0.296 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001131316830 1202886302 /nfs/dbraw/zinc/88/63/02/1202886302.db2.gz XRINUGRABNFFDG-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001131316830 1202886304 /nfs/dbraw/zinc/88/63/04/1202886304.db2.gz XRINUGRABNFFDG-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316830 1202886305 /nfs/dbraw/zinc/88/63/05/1202886305.db2.gz XRINUGRABNFFDG-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316830 1202886308 /nfs/dbraw/zinc/88/63/08/1202886308.db2.gz XRINUGRABNFFDG-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131515593 1202907581 /nfs/dbraw/zinc/90/75/81/1202907581.db2.gz UCMACSNKSBCBSH-QYZOEREBSA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CCCO)CC1 ZINC001131515593 1202907586 /nfs/dbraw/zinc/90/75/86/1202907586.db2.gz UCMACSNKSBCBSH-QYZOEREBSA-N 2 1 363.502 0.452 20 30 FCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(N2CC[NH2+][C@@H](C)C2)nn1 ZINC001171068341 1203303037 /nfs/dbraw/zinc/30/30/37/1203303037.db2.gz WIDOUJKODFYADJ-GJZGRUSLSA-N 2 1 362.478 0.913 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001091748298 1204841515 /nfs/dbraw/zinc/84/15/15/1204841515.db2.gz JTWXJZAIGRUUFU-LMNJBCLMSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001091748298 1204841516 /nfs/dbraw/zinc/84/15/16/1204841516.db2.gz JTWXJZAIGRUUFU-LMNJBCLMSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001091748298 1204841519 /nfs/dbraw/zinc/84/15/19/1204841519.db2.gz JTWXJZAIGRUUFU-LMNJBCLMSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCc3ccnn3C)C[C@@]2(C)C1 ZINC001091748298 1204841520 /nfs/dbraw/zinc/84/15/20/1204841520.db2.gz JTWXJZAIGRUUFU-LMNJBCLMSA-N 2 1 369.513 0.841 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)C1=O ZINC001091857463 1205053031 /nfs/dbraw/zinc/05/30/31/1205053031.db2.gz JJROQZIBYUIYFD-UWVAXJGDSA-N 2 1 371.485 0.759 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)C1=O ZINC001091857463 1205053035 /nfs/dbraw/zinc/05/30/35/1205053035.db2.gz JJROQZIBYUIYFD-UWVAXJGDSA-N 2 1 371.485 0.759 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cncn3C)C[C@H]2C)CC1 ZINC001093223134 1206062231 /nfs/dbraw/zinc/06/22/31/1206062231.db2.gz UAIIGHDZZQNLGN-SJLPKXTDSA-N 2 1 357.502 0.949 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1 ZINC001093832911 1206126848 /nfs/dbraw/zinc/12/68/48/1206126848.db2.gz HCEXYNOXVOCXOS-NUJGCVRESA-N 2 1 358.490 0.580 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cnnn2CC)[C@H](C)C1 ZINC001093832911 1206126851 /nfs/dbraw/zinc/12/68/51/1206126851.db2.gz HCEXYNOXVOCXOS-NUJGCVRESA-N 2 1 358.490 0.580 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810413 1206365811 /nfs/dbraw/zinc/36/58/11/1206365811.db2.gz FPJGCYOLERRUAI-IXDOHACOSA-N 2 1 366.506 0.110 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810413 1206365813 /nfs/dbraw/zinc/36/58/13/1206365813.db2.gz FPJGCYOLERRUAI-IXDOHACOSA-N 2 1 366.506 0.110 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001181518018 1206411072 /nfs/dbraw/zinc/41/10/72/1206411072.db2.gz MXFVBTMKBOKDLV-AXVVYFOYSA-N 2 1 362.518 0.540 20 30 FCEDMP N#CC1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC001220643486 1224982936 /nfs/dbraw/zinc/98/29/36/1224982936.db2.gz HNMRZSDLVVEQST-SFHVURJKSA-N 2 1 355.486 0.988 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181752 1207515227 /nfs/dbraw/zinc/51/52/27/1207515227.db2.gz HLZPEFVZDOLTEB-CEXWTWQISA-N 2 1 363.502 0.670 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190239179 1207666732 /nfs/dbraw/zinc/66/67/32/1207666732.db2.gz RSPAVOCTMHQEIW-BRWVUGGUSA-N 2 1 363.506 0.621 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190239179 1207666738 /nfs/dbraw/zinc/66/67/38/1207666738.db2.gz RSPAVOCTMHQEIW-BRWVUGGUSA-N 2 1 363.506 0.621 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190239179 1207666741 /nfs/dbraw/zinc/66/67/41/1207666741.db2.gz RSPAVOCTMHQEIW-BRWVUGGUSA-N 2 1 363.506 0.621 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190239179 1207666745 /nfs/dbraw/zinc/66/67/45/1207666745.db2.gz RSPAVOCTMHQEIW-BRWVUGGUSA-N 2 1 363.506 0.621 20 30 FCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001197528393 1208170565 /nfs/dbraw/zinc/17/05/65/1208170565.db2.gz JNDWQDCAFPDMEZ-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001197528393 1208170567 /nfs/dbraw/zinc/17/05/67/1208170567.db2.gz JNDWQDCAFPDMEZ-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001197528393 1208170569 /nfs/dbraw/zinc/17/05/69/1208170569.db2.gz JNDWQDCAFPDMEZ-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001197528393 1208170571 /nfs/dbraw/zinc/17/05/71/1208170571.db2.gz JNDWQDCAFPDMEZ-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001197528393 1208170573 /nfs/dbraw/zinc/17/05/73/1208170573.db2.gz JNDWQDCAFPDMEZ-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691712793 1210840934 /nfs/dbraw/zinc/84/09/34/1210840934.db2.gz RELZKGTVUCODHE-RCCFBDPRSA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691712793 1210840936 /nfs/dbraw/zinc/84/09/36/1210840936.db2.gz RELZKGTVUCODHE-RCCFBDPRSA-N 2 1 359.474 0.048 20 30 FCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000104174586 1210938193 /nfs/dbraw/zinc/93/81/93/1210938193.db2.gz HQYVBHZRDAEALC-OAHLLOKOSA-N 2 1 368.526 0.395 20 30 FCEDMP C#CCN1CCC[C@H](NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000890362229 1210974880 /nfs/dbraw/zinc/97/48/80/1210974880.db2.gz ALFXWBGKDVXIBV-VQTJNVASSA-N 2 1 370.497 0.802 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000890362229 1210974883 /nfs/dbraw/zinc/97/48/83/1210974883.db2.gz ALFXWBGKDVXIBV-VQTJNVASSA-N 2 1 370.497 0.802 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000890362229 1210974886 /nfs/dbraw/zinc/97/48/86/1210974886.db2.gz ALFXWBGKDVXIBV-VQTJNVASSA-N 2 1 370.497 0.802 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000890362229 1210974893 /nfs/dbraw/zinc/97/48/93/1210974893.db2.gz ALFXWBGKDVXIBV-VQTJNVASSA-N 2 1 370.497 0.802 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000890368955 1210975818 /nfs/dbraw/zinc/97/58/18/1210975818.db2.gz OVLDAQUPCDLSIT-IAGOWNOFSA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000890368955 1210975820 /nfs/dbraw/zinc/97/58/20/1210975820.db2.gz OVLDAQUPCDLSIT-IAGOWNOFSA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000890368955 1210975822 /nfs/dbraw/zinc/97/58/22/1210975822.db2.gz OVLDAQUPCDLSIT-IAGOWNOFSA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000890368955 1210975825 /nfs/dbraw/zinc/97/58/25/1210975825.db2.gz OVLDAQUPCDLSIT-IAGOWNOFSA-N 2 1 361.490 0.032 20 30 FCEDMP C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031305 1211809418 /nfs/dbraw/zinc/80/94/18/1211809418.db2.gz RXEJIDYQDDNFCX-VQHPVUNQSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111031305 1211809422 /nfs/dbraw/zinc/80/94/22/1211809422.db2.gz RXEJIDYQDDNFCX-VQHPVUNQSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111031305 1211809424 /nfs/dbraw/zinc/80/94/24/1211809424.db2.gz RXEJIDYQDDNFCX-VQHPVUNQSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031305 1211809425 /nfs/dbraw/zinc/80/94/25/1211809425.db2.gz RXEJIDYQDDNFCX-VQHPVUNQSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC000949864831 1212475493 /nfs/dbraw/zinc/47/54/93/1212475493.db2.gz LMMIKCPZVFMORD-KBAYOESNSA-N 2 1 360.502 0.246 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3ccncc3C#N)CC2)CC[N@H+]1C ZINC001111323538 1212643043 /nfs/dbraw/zinc/64/30/43/1212643043.db2.gz HZRZAJOXCNMUCH-CRAIPNDOSA-N 2 1 370.501 0.708 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCOCCOC)C[C@H]32)CC1 ZINC001222043983 1225587541 /nfs/dbraw/zinc/58/75/41/1225587541.db2.gz KJGCGVVCWKVFBB-RTBURBONSA-N 2 1 363.502 0.527 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693920 1225646130 /nfs/dbraw/zinc/64/61/30/1225646130.db2.gz IHEMZPIZWYFPJX-KURKYZTESA-N 2 1 360.502 0.553 20 30 FCEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 ZINC001222921958 1225666925 /nfs/dbraw/zinc/66/69/25/1225666925.db2.gz NNZTYMIQCZGCFG-IKGGRYGDSA-N 2 1 361.490 0.423 20 30 FCEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222921958 1225666932 /nfs/dbraw/zinc/66/69/32/1225666932.db2.gz NNZTYMIQCZGCFG-IKGGRYGDSA-N 2 1 361.490 0.423 20 30 FCEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222921958 1225666937 /nfs/dbraw/zinc/66/69/37/1225666937.db2.gz NNZTYMIQCZGCFG-IKGGRYGDSA-N 2 1 361.490 0.423 20 30 FCEDMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222921958 1225666945 /nfs/dbraw/zinc/66/69/45/1225666945.db2.gz NNZTYMIQCZGCFG-IKGGRYGDSA-N 2 1 361.490 0.423 20 30 FCEDMP C[NH+]1CCC[C@H]1CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222921958 1225666951 /nfs/dbraw/zinc/66/69/51/1225666951.db2.gz NNZTYMIQCZGCFG-IKGGRYGDSA-N 2 1 361.490 0.423 20 30 FCEDMP C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001069838726 1216805265 /nfs/dbraw/zinc/80/52/65/1216805265.db2.gz GASBOLKTJOIJMJ-KBAYOESNSA-N 2 1 355.486 0.840 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)C[C@@H]21 ZINC001223353619 1225699486 /nfs/dbraw/zinc/69/94/86/1225699486.db2.gz IAIVCBYXWAXCTB-QYZOEREBSA-N 2 1 363.502 0.668 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001223353619 1225699492 /nfs/dbraw/zinc/69/94/92/1225699492.db2.gz IAIVCBYXWAXCTB-QYZOEREBSA-N 2 1 363.502 0.668 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001223353619 1225699495 /nfs/dbraw/zinc/69/94/95/1225699495.db2.gz IAIVCBYXWAXCTB-QYZOEREBSA-N 2 1 363.502 0.668 20 30 FCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]21 ZINC001223353619 1225699498 /nfs/dbraw/zinc/69/94/98/1225699498.db2.gz IAIVCBYXWAXCTB-QYZOEREBSA-N 2 1 363.502 0.668 20 30 FCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@@H]21 ZINC001223353619 1225699500 /nfs/dbraw/zinc/69/95/00/1225699500.db2.gz IAIVCBYXWAXCTB-QYZOEREBSA-N 2 1 363.502 0.668 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070008958 1216895649 /nfs/dbraw/zinc/89/56/49/1216895649.db2.gz AZILLZZEOFYHGQ-JQHSSLGASA-N 2 1 369.473 0.963 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070008958 1216895651 /nfs/dbraw/zinc/89/56/51/1216895651.db2.gz AZILLZZEOFYHGQ-JQHSSLGASA-N 2 1 369.473 0.963 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(NC(=O)C#CC3CC3)CC2)CC[N@H+]1C ZINC001055583643 1219088218 /nfs/dbraw/zinc/08/82/18/1219088218.db2.gz WHMBGLZYUBXEIS-CRAIPNDOSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC=C)C[C@@H]2n2ccnn2)CC1 ZINC001070102441 1219177443 /nfs/dbraw/zinc/17/74/43/1219177443.db2.gz KDYFYGQBRHTQCG-MSOLQXFVSA-N 2 1 356.474 0.541 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1n1ccnn1 ZINC001070193867 1219286566 /nfs/dbraw/zinc/28/65/66/1219286566.db2.gz VKIGZNDRKCQXFW-UHOSZYNNSA-N 2 1 370.501 0.907 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001070372701 1219402242 /nfs/dbraw/zinc/40/22/42/1219402242.db2.gz BWHWCSWGSCYUHK-LMMKCTJWSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001070373864 1219402815 /nfs/dbraw/zinc/40/28/15/1219402815.db2.gz HQRUFZOSKDGNKX-APWZRJJASA-N 2 1 357.458 0.300 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001070382565 1219407065 /nfs/dbraw/zinc/40/70/65/1219407065.db2.gz GIPHSWLSRQXKRG-APWZRJJASA-N 2 1 359.474 0.853 20 30 FCEDMP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382645 1219407915 /nfs/dbraw/zinc/40/79/15/1219407915.db2.gz KKMWBNJLTIMHNP-LMMKCTJWSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070499297 1219441069 /nfs/dbraw/zinc/44/10/69/1219441069.db2.gz LSDLBRHQEPTVIN-JQHSSLGASA-N 2 1 371.489 0.317 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001070499296 1219441152 /nfs/dbraw/zinc/44/11/52/1219441152.db2.gz LSDLBRHQEPTVIN-CGTJXYLNSA-N 2 1 371.489 0.317 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526029 1219453778 /nfs/dbraw/zinc/45/37/78/1219453778.db2.gz MQHLPGBCKOHJAG-CGTJXYLNSA-N 2 1 359.474 0.047 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526029 1219453781 /nfs/dbraw/zinc/45/37/81/1219453781.db2.gz MQHLPGBCKOHJAG-CGTJXYLNSA-N 2 1 359.474 0.047 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070655328 1219509710 /nfs/dbraw/zinc/50/97/10/1219509710.db2.gz GPIHQTWOIKWYDE-NUJGCVRESA-N 2 1 371.489 0.317 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923990 1219581592 /nfs/dbraw/zinc/58/15/92/1219581592.db2.gz FZUHWBVNDTWERZ-ZACQAIPSSA-N 2 1 360.458 0.211 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923990 1219581594 /nfs/dbraw/zinc/58/15/94/1219581594.db2.gz FZUHWBVNDTWERZ-ZACQAIPSSA-N 2 1 360.458 0.211 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241111 1220241482 /nfs/dbraw/zinc/24/14/82/1220241482.db2.gz QXTNNQFARKGGHP-UWVAXJGDSA-N 2 1 360.502 0.411 20 30 FCEDMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257214 1220250978 /nfs/dbraw/zinc/25/09/78/1220250978.db2.gz KUVJNUBGENEOLG-RKVPGOIHSA-N 2 1 367.469 0.086 20 30 FCEDMP CC[NH+](CC)C[C@@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257214 1220250985 /nfs/dbraw/zinc/25/09/85/1220250985.db2.gz KUVJNUBGENEOLG-RKVPGOIHSA-N 2 1 367.469 0.086 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300122 1220276690 /nfs/dbraw/zinc/27/66/90/1220276690.db2.gz JIJQHKOWCSFIRI-MDZRGWNJSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300122 1220276693 /nfs/dbraw/zinc/27/66/93/1220276693.db2.gz JIJQHKOWCSFIRI-MDZRGWNJSA-N 2 1 359.474 0.663 20 30 FCEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102262981 1220565206 /nfs/dbraw/zinc/56/52/06/1220565206.db2.gz RDWFXOBWIPYQPH-IXDOHACOSA-N 2 1 363.506 0.432 20 30 FCEDMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102262981 1220565212 /nfs/dbraw/zinc/56/52/12/1220565212.db2.gz RDWFXOBWIPYQPH-IXDOHACOSA-N 2 1 363.506 0.432 20 30 FCEDMP CCC[NH+]1CCC[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)C1 ZINC001102262981 1220565218 /nfs/dbraw/zinc/56/52/18/1220565218.db2.gz RDWFXOBWIPYQPH-IXDOHACOSA-N 2 1 363.506 0.432 20 30 FCEDMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)C(C)C ZINC001102472461 1220643108 /nfs/dbraw/zinc/64/31/08/1220643108.db2.gz DMVNOOMDYZWARS-JFIYKMOQSA-N 2 1 365.522 0.677 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001102492781 1220654707 /nfs/dbraw/zinc/65/47/07/1220654707.db2.gz GPJUDMZWRDIZTE-SJLPKXTDSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001102595414 1220717064 /nfs/dbraw/zinc/71/70/64/1220717064.db2.gz JGWHYJNSHUATPL-VQIMIIECSA-N 2 1 370.497 0.795 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090579 1220830791 /nfs/dbraw/zinc/83/07/91/1220830791.db2.gz ZUGCVZSBAVOQCQ-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090579 1220830794 /nfs/dbraw/zinc/83/07/94/1220830794.db2.gz ZUGCVZSBAVOQCQ-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090579 1220830796 /nfs/dbraw/zinc/83/07/96/1220830796.db2.gz ZUGCVZSBAVOQCQ-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234642 1220855043 /nfs/dbraw/zinc/85/50/43/1220855043.db2.gz ZKKKVXVVYHOKHX-DJIMGWMZSA-N 2 1 361.490 0.956 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234642 1220855046 /nfs/dbraw/zinc/85/50/46/1220855046.db2.gz ZKKKVXVVYHOKHX-DJIMGWMZSA-N 2 1 361.490 0.956 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662600 1220931898 /nfs/dbraw/zinc/93/18/98/1220931898.db2.gz FLJJXWXBPMKWBV-KZNAEPCWSA-N 2 1 364.534 0.930 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662600 1220931902 /nfs/dbraw/zinc/93/19/02/1220931902.db2.gz FLJJXWXBPMKWBV-KZNAEPCWSA-N 2 1 364.534 0.930 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662600 1220931912 /nfs/dbraw/zinc/93/19/12/1220931912.db2.gz FLJJXWXBPMKWBV-KZNAEPCWSA-N 2 1 364.534 0.930 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103742591 1220959669 /nfs/dbraw/zinc/95/96/69/1220959669.db2.gz MZBCYMVNYVILPY-ZACQAIPSSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103742591 1220959672 /nfs/dbraw/zinc/95/96/72/1220959672.db2.gz MZBCYMVNYVILPY-ZACQAIPSSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103742591 1220959676 /nfs/dbraw/zinc/95/96/76/1220959676.db2.gz MZBCYMVNYVILPY-ZACQAIPSSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103742591 1220959679 /nfs/dbraw/zinc/95/96/79/1220959679.db2.gz MZBCYMVNYVILPY-ZACQAIPSSA-N 2 1 366.506 0.084 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855750 1221137933 /nfs/dbraw/zinc/13/79/33/1221137933.db2.gz LBBBHMVLKKJMFP-GUXCAODWSA-N 2 1 360.502 0.437 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984536 1221193748 /nfs/dbraw/zinc/19/37/48/1221193748.db2.gz BKHPDLOTKFWFIE-QOKNQOGYSA-N 2 1 359.474 0.853 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001111984536 1221193751 /nfs/dbraw/zinc/19/37/51/1221193751.db2.gz BKHPDLOTKFWFIE-QOKNQOGYSA-N 2 1 359.474 0.853 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C[C@H](O)COC)C3)CC1 ZINC001112004329 1221198348 /nfs/dbraw/zinc/19/83/48/1221198348.db2.gz WNUFCJAGGZZNTD-BJLQDIEVSA-N 2 1 363.502 0.310 20 30 FCEDMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001230279932 1226070800 /nfs/dbraw/zinc/07/08/00/1226070800.db2.gz JZIKYJIZPBXXIY-LMMKCTJWSA-N 2 1 371.485 0.946 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121134005 1222150447 /nfs/dbraw/zinc/15/04/47/1222150447.db2.gz OCYGSKZFPBLKBM-MZGCBASJSA-N 2 1 360.502 0.482 20 30 FCEDMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1ccc(C#N)nc1)CC2 ZINC001140543141 1222599299 /nfs/dbraw/zinc/59/92/99/1222599299.db2.gz KUVRCERTPWONFD-UHFFFAOYSA-N 2 1 370.501 0.623 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#Cc2ccccc2)CC[N@H+]1C ZINC001158428672 1223097614 /nfs/dbraw/zinc/09/76/14/1223097614.db2.gz NQZZTVDCLALNQY-IEBWSBKVSA-N 2 1 370.497 0.590 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211366386 1223738263 /nfs/dbraw/zinc/73/82/63/1223738263.db2.gz AIVHJYUUWYDPFW-RBSFLKMASA-N 2 1 367.494 0.163 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211366386 1223738264 /nfs/dbraw/zinc/73/82/64/1223738264.db2.gz AIVHJYUUWYDPFW-RBSFLKMASA-N 2 1 367.494 0.163 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366386 1223738266 /nfs/dbraw/zinc/73/82/66/1223738266.db2.gz AIVHJYUUWYDPFW-RBSFLKMASA-N 2 1 367.494 0.163 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366386 1223738268 /nfs/dbraw/zinc/73/82/68/1223738268.db2.gz AIVHJYUUWYDPFW-RBSFLKMASA-N 2 1 367.494 0.163 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](OC)C1 ZINC001213555535 1223812963 /nfs/dbraw/zinc/81/29/63/1223812963.db2.gz RVRGJEJPEBZYSJ-IAGOWNOFSA-N 2 1 365.478 0.076 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@H]1C ZINC001214674794 1223931251 /nfs/dbraw/zinc/93/12/51/1223931251.db2.gz YETWICBLYDELAG-ZTFGCOKTSA-N 2 1 359.474 0.876 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@H]1C ZINC001214674794 1223931255 /nfs/dbraw/zinc/93/12/55/1223931255.db2.gz YETWICBLYDELAG-ZTFGCOKTSA-N 2 1 359.474 0.876 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081545 1224033685 /nfs/dbraw/zinc/03/36/85/1224033685.db2.gz HGXMCCNJJIYXAK-RHSMWYFYSA-N 2 1 366.425 0.067 20 30 FCEDMP CC[N@@H+](C)[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1)c1ccccc1 ZINC001216348549 1224046084 /nfs/dbraw/zinc/04/60/84/1224046084.db2.gz NFKIPXCWLKXGON-SUMDDJOVSA-N 2 1 371.485 0.756 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216384078 1224047879 /nfs/dbraw/zinc/04/78/79/1224047879.db2.gz XDJZOMSODVRGTF-FGTMMUONSA-N 2 1 362.518 0.965 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216756150 1224068979 /nfs/dbraw/zinc/06/89/79/1224068979.db2.gz UPZWFVDIUOCRSE-GDBMZVCRSA-N 2 1 360.462 0.390 20 30 FCEDMP C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000996777728 1251430134 /nfs/dbraw/zinc/43/01/34/1251430134.db2.gz YRJSLHBUICUOJI-LWSMDNFKSA-N 2 1 364.534 0.937 20 30 FCEDMP C=CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000996777728 1251430144 /nfs/dbraw/zinc/43/01/44/1251430144.db2.gz YRJSLHBUICUOJI-LWSMDNFKSA-N 2 1 364.534 0.937 20 30 FCEDMP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)nn2)C1 ZINC001000022275 1252269505 /nfs/dbraw/zinc/26/95/05/1252269505.db2.gz UOEKHPHBZMFTSO-BZUAXINKSA-N 2 1 355.446 0.864 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC1 ZINC001077779427 1254980389 /nfs/dbraw/zinc/98/03/89/1254980389.db2.gz NABGGQNMBGWPCX-RTBURBONSA-N 2 1 356.470 0.951 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC1 ZINC001077779427 1254980394 /nfs/dbraw/zinc/98/03/94/1254980394.db2.gz NABGGQNMBGWPCX-RTBURBONSA-N 2 1 356.470 0.951 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082743764 1257023004 /nfs/dbraw/zinc/02/30/04/1257023004.db2.gz AFJXTOHRPIHUFH-BRWVUGGUSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088212291 1258733889 /nfs/dbraw/zinc/73/38/89/1258733889.db2.gz ZYXLIZQETPMBOQ-SQNIBIBYSA-N 2 1 358.486 0.000 20 30 FCEDMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001107074519 1259028496 /nfs/dbraw/zinc/02/84/96/1259028496.db2.gz AXAMRJSHHVKISA-SJLPKXTDSA-N 2 1 371.485 0.442 20 30 FCEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001107074519 1259028503 /nfs/dbraw/zinc/02/85/03/1259028503.db2.gz AXAMRJSHHVKISA-SJLPKXTDSA-N 2 1 371.485 0.442 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107411760 1259080338 /nfs/dbraw/zinc/08/03/38/1259080338.db2.gz DGCMGGCCJKNZPE-XKGFGPFHSA-N 2 1 374.529 0.827 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107411760 1259080345 /nfs/dbraw/zinc/08/03/45/1259080345.db2.gz DGCMGGCCJKNZPE-XKGFGPFHSA-N 2 1 374.529 0.827 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001107411760 1259080350 /nfs/dbraw/zinc/08/03/50/1259080350.db2.gz DGCMGGCCJKNZPE-XKGFGPFHSA-N 2 1 374.529 0.827 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@H](O)COC)CC2 ZINC001107439727 1259090751 /nfs/dbraw/zinc/09/07/51/1259090751.db2.gz OSCUNBZZCMVPKO-PNYFIKQUSA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@H](O)COC)CC2 ZINC001107439727 1259090755 /nfs/dbraw/zinc/09/07/55/1259090755.db2.gz OSCUNBZZCMVPKO-PNYFIKQUSA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](C[C@H](O)COC)CC2 ZINC001107439727 1259090765 /nfs/dbraw/zinc/09/07/65/1259090765.db2.gz OSCUNBZZCMVPKO-PNYFIKQUSA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](C[C@H](O)COC)CC2 ZINC001107439727 1259090771 /nfs/dbraw/zinc/09/07/71/1259090771.db2.gz OSCUNBZZCMVPKO-PNYFIKQUSA-N 2 1 363.502 0.452 20 30 FCEDMP C[C@@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107547053 1259113086 /nfs/dbraw/zinc/11/30/86/1259113086.db2.gz YYHNDMYWTPCFFL-GPMSIDNRSA-N 2 1 361.490 0.471 20 30 FCEDMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107547053 1259113089 /nfs/dbraw/zinc/11/30/89/1259113089.db2.gz YYHNDMYWTPCFFL-GPMSIDNRSA-N 2 1 361.490 0.471 20 30 FCEDMP C[C@@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107547053 1259113093 /nfs/dbraw/zinc/11/30/93/1259113093.db2.gz YYHNDMYWTPCFFL-GPMSIDNRSA-N 2 1 361.490 0.471 20 30 FCEDMP C=CC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267096 1259362009 /nfs/dbraw/zinc/36/20/09/1259362009.db2.gz XCSWEZFCUSDEDI-BBWFWOEESA-N 2 1 362.478 0.307 20 30 FCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267096 1259362015 /nfs/dbraw/zinc/36/20/15/1259362015.db2.gz XCSWEZFCUSDEDI-BBWFWOEESA-N 2 1 362.478 0.307 20 30 FCEDMP C#CCOC[C@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001251881391 1259769147 /nfs/dbraw/zinc/76/91/47/1259769147.db2.gz SXMRTMLRLSXLIP-IXDOHACOSA-N 2 1 367.490 0.528 20 30 FCEDMP C#CCOC[C@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001251881391 1259769152 /nfs/dbraw/zinc/76/91/52/1259769152.db2.gz SXMRTMLRLSXLIP-IXDOHACOSA-N 2 1 367.490 0.528 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001484634336 1263481878 /nfs/dbraw/zinc/48/18/78/1263481878.db2.gz LEWXHFMXXWBNEP-HZPDHXFCSA-N 2 1 363.506 0.717 20 30 FCEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC001343473182 1269918594 /nfs/dbraw/zinc/91/85/94/1269918594.db2.gz LNRCLNWCPMIFGF-QRVBRYPASA-N 2 1 354.454 0.803 20 30 FCEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC001343473182 1269918602 /nfs/dbraw/zinc/91/86/02/1269918602.db2.gz LNRCLNWCPMIFGF-QRVBRYPASA-N 2 1 354.454 0.803 20 30 FCEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001574604916 1271409481 /nfs/dbraw/zinc/40/94/81/1271409481.db2.gz UHKWUAPUBPTMPR-SJORKVTESA-N 2 1 360.506 0.661 20 30 FCEDMP CC[N@H+]1CC[C@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001577763427 1274846343 /nfs/dbraw/zinc/84/63/43/1274846343.db2.gz BAERMFBWSUETFK-CAOSSQGBSA-N 2 1 359.478 0.553 20 30 FCEDMP CC[N@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001577763430 1274846549 /nfs/dbraw/zinc/84/65/49/1274846549.db2.gz BAERMFBWSUETFK-WCVJEAGWSA-N 2 1 359.478 0.553 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001588350920 1282445190 /nfs/dbraw/zinc/44/51/90/1282445190.db2.gz AHRIDDHKBTXEJA-INIZCTEOSA-N 2 1 353.430 0.170 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001588350920 1282445195 /nfs/dbraw/zinc/44/51/95/1282445195.db2.gz AHRIDDHKBTXEJA-INIZCTEOSA-N 2 1 353.430 0.170 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001588351117 1282448096 /nfs/dbraw/zinc/44/80/96/1282448096.db2.gz FHWWKYBDVPHALA-INIZCTEOSA-N 2 1 368.445 0.008 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001588351117 1282448103 /nfs/dbraw/zinc/44/81/03/1282448103.db2.gz FHWWKYBDVPHALA-INIZCTEOSA-N 2 1 368.445 0.008 20 30 FCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692064247 1289383675 /nfs/dbraw/zinc/38/36/75/1289383675.db2.gz CYEBQWNEXSYGRP-IXDOHACOSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692064247 1289383679 /nfs/dbraw/zinc/38/36/79/1289383679.db2.gz CYEBQWNEXSYGRP-IXDOHACOSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692064247 1289383686 /nfs/dbraw/zinc/38/36/86/1289383686.db2.gz CYEBQWNEXSYGRP-IXDOHACOSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692064247 1289383688 /nfs/dbraw/zinc/38/36/88/1289383688.db2.gz CYEBQWNEXSYGRP-IXDOHACOSA-N 2 1 361.490 0.281 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001692082818 1289388032 /nfs/dbraw/zinc/38/80/32/1289388032.db2.gz IQNHSQHQMQELDY-ZACQAIPSSA-N 2 1 358.486 0.000 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001692084749 1289390693 /nfs/dbraw/zinc/39/06/93/1289390693.db2.gz KMHKTSOJYGGVJY-QRVBRYPASA-N 2 1 363.502 0.385 20 30 FCEDMP C=CCNC(=O)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753027906 1290618736 /nfs/dbraw/zinc/61/87/36/1290618736.db2.gz UQARMUJCQCFJDR-IXDOHACOSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753027906 1290618745 /nfs/dbraw/zinc/61/87/45/1290618745.db2.gz UQARMUJCQCFJDR-IXDOHACOSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753027906 1290618757 /nfs/dbraw/zinc/61/87/57/1290618757.db2.gz UQARMUJCQCFJDR-IXDOHACOSA-N 2 1 350.507 0.990 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070196553 837633016 /nfs/dbraw/zinc/63/30/16/837633016.db2.gz DLRTULJNGQMFJR-TUVASFSCSA-N 2 1 352.870 0.712 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070196553 837633017 /nfs/dbraw/zinc/63/30/17/837633017.db2.gz DLRTULJNGQMFJR-TUVASFSCSA-N 2 1 352.870 0.712 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001102520388 844548775 /nfs/dbraw/zinc/54/87/75/844548775.db2.gz IKDNPVJDSLLJLK-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523106 841121608 /nfs/dbraw/zinc/12/16/08/841121608.db2.gz NNHSKUFQUNHLPN-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523106 841121613 /nfs/dbraw/zinc/12/16/13/841121613.db2.gz NNHSKUFQUNHLPN-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523106 841121617 /nfs/dbraw/zinc/12/16/17/841121617.db2.gz NNHSKUFQUNHLPN-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407427 844752630 /nfs/dbraw/zinc/75/26/30/844752630.db2.gz BSHYZEBJZBOQGA-JFIYKMOQSA-N 2 1 352.523 0.949 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001103723729 844808873 /nfs/dbraw/zinc/80/88/73/844808873.db2.gz ZJFFMHIRPYVFRF-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104306351 844892600 /nfs/dbraw/zinc/89/26/00/844892600.db2.gz ZVPHEOGBTLDUHK-KURKYZTESA-N 2 1 351.491 0.167 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCO)C1 ZINC001104306351 844892611 /nfs/dbraw/zinc/89/26/11/844892611.db2.gz ZVPHEOGBTLDUHK-KURKYZTESA-N 2 1 351.491 0.167 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001104939426 844961321 /nfs/dbraw/zinc/96/13/21/844961321.db2.gz PFXACHIZXYWLPZ-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)C1=O ZINC001106910578 845284273 /nfs/dbraw/zinc/28/42/73/845284273.db2.gz DYYYZSVIXFFHCL-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001107614742 845408758 /nfs/dbraw/zinc/40/87/58/845408758.db2.gz LVHSDRSEKLVWNP-VQIMIIECSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614742 845408761 /nfs/dbraw/zinc/40/87/61/845408761.db2.gz LVHSDRSEKLVWNP-VQIMIIECSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001107614742 845408766 /nfs/dbraw/zinc/40/87/66/845408766.db2.gz LVHSDRSEKLVWNP-VQIMIIECSA-N 2 1 350.507 0.991 20 30 FCEDMP C=C[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276814216 861623502 /nfs/dbraw/zinc/62/35/02/861623502.db2.gz FLNCMNJAAQVKNY-PKOBYXMFSA-N 2 1 350.507 0.095 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276814216 861623511 /nfs/dbraw/zinc/62/35/11/861623511.db2.gz FLNCMNJAAQVKNY-PKOBYXMFSA-N 2 1 350.507 0.095 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276814989 861624657 /nfs/dbraw/zinc/62/46/57/861624657.db2.gz LUKARSZHIGCIEQ-KZNAEPCWSA-N 2 1 350.507 0.236 20 30 FCEDMP C=C[C@@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276814989 861624665 /nfs/dbraw/zinc/62/46/65/861624665.db2.gz LUKARSZHIGCIEQ-KZNAEPCWSA-N 2 1 350.507 0.236 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276814989 861624676 /nfs/dbraw/zinc/62/46/76/861624676.db2.gz LUKARSZHIGCIEQ-KZNAEPCWSA-N 2 1 350.507 0.236 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908425 846256344 /nfs/dbraw/zinc/25/63/44/846256344.db2.gz XYJHQIPBXYTBSU-GJYPPUQNSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111949055 846272487 /nfs/dbraw/zinc/27/24/87/846272487.db2.gz LWMRSJGAFMRACT-LPHOPBHVSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111949055 846272501 /nfs/dbraw/zinc/27/25/01/846272501.db2.gz LWMRSJGAFMRACT-LPHOPBHVSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CCC)C1 ZINC001111949055 846272513 /nfs/dbraw/zinc/27/25/13/846272513.db2.gz LWMRSJGAFMRACT-LPHOPBHVSA-N 2 1 350.507 0.991 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194265 846452987 /nfs/dbraw/zinc/45/29/87/846452987.db2.gz VNUQRCJDELPMEJ-RBSFLKMASA-N 2 1 361.408 0.957 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206289 846463197 /nfs/dbraw/zinc/46/31/97/846463197.db2.gz MHFUCHIPNRDFPO-JHJVBQTASA-N 2 1 362.396 0.219 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206289 846463201 /nfs/dbraw/zinc/46/32/01/846463201.db2.gz MHFUCHIPNRDFPO-JHJVBQTASA-N 2 1 362.396 0.219 20 30 FCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593995 846562689 /nfs/dbraw/zinc/56/26/89/846562689.db2.gz TXGBFUJLNIYQJN-IAGOWNOFSA-N 2 1 351.491 0.764 20 30 FCEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCCC1 ZINC001115593995 846562695 /nfs/dbraw/zinc/56/26/95/846562695.db2.gz TXGBFUJLNIYQJN-IAGOWNOFSA-N 2 1 351.491 0.764 20 30 FCEDMP C=C(Br)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992023 848927994 /nfs/dbraw/zinc/92/79/94/848927994.db2.gz IGNBFHPIYYAQLW-OLZOCXBDSA-N 2 1 371.283 0.480 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001130232422 848981887 /nfs/dbraw/zinc/98/18/87/848981887.db2.gz GUPAPVAZGLZJAP-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC[NH+](C)C)n[nH]1 ZINC001130232422 848981896 /nfs/dbraw/zinc/98/18/96/848981896.db2.gz GUPAPVAZGLZJAP-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[nH]1 ZINC001130244123 848986185 /nfs/dbraw/zinc/98/61/85/848986185.db2.gz ASCSCUQCKCSALG-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871021 851833173 /nfs/dbraw/zinc/83/31/73/851833173.db2.gz IDYBGDGZAMKABD-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102425 852537474 /nfs/dbraw/zinc/53/74/74/852537474.db2.gz KRFIAPKOUGDGRE-GVDBMIGSSA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199095692 853368182 /nfs/dbraw/zinc/36/81/82/853368182.db2.gz JJRXVHIVWGVXSM-KURKYZTESA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199095692 853368194 /nfs/dbraw/zinc/36/81/94/853368194.db2.gz JJRXVHIVWGVXSM-KURKYZTESA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199095695 853369268 /nfs/dbraw/zinc/36/92/68/853369268.db2.gz JJRXVHIVWGVXSM-KZNAEPCWSA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001199095695 853369273 /nfs/dbraw/zinc/36/92/73/853369273.db2.gz JJRXVHIVWGVXSM-KZNAEPCWSA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787045 853511057 /nfs/dbraw/zinc/51/10/57/853511057.db2.gz MSFNEXOGWWSKJO-IXDOHACOSA-N 2 1 355.479 0.115 20 30 FCEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787045 853511069 /nfs/dbraw/zinc/51/10/69/853511069.db2.gz MSFNEXOGWWSKJO-IXDOHACOSA-N 2 1 355.479 0.115 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033079 854071388 /nfs/dbraw/zinc/07/13/88/854071388.db2.gz HSDACNUWBJNDNM-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033079 854071393 /nfs/dbraw/zinc/07/13/93/854071393.db2.gz HSDACNUWBJNDNM-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210033079 854071398 /nfs/dbraw/zinc/07/13/98/854071398.db2.gz HSDACNUWBJNDNM-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210033079 854071404 /nfs/dbraw/zinc/07/14/04/854071404.db2.gz HSDACNUWBJNDNM-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845316 855022222 /nfs/dbraw/zinc/02/22/22/855022222.db2.gz NYBBVXYRCVIKHY-IXDOHACOSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650924 855458834 /nfs/dbraw/zinc/45/88/34/855458834.db2.gz PNMLKSHFVFEVML-FGTMMUONSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001222018166 856768643 /nfs/dbraw/zinc/76/86/43/856768643.db2.gz PSHPBMPMQLWTOD-KZNAEPCWSA-N 2 1 351.491 0.690 20 30 FCEDMP C#CCOC[C@H](O)C[N@H+]1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001251845089 857760771 /nfs/dbraw/zinc/76/07/71/857760771.db2.gz YZDRMUVYUAIRDK-MRXNPFEDSA-N 2 1 350.463 0.178 20 30 FCEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252596250 857822855 /nfs/dbraw/zinc/82/28/55/857822855.db2.gz OYYDHLFADASEGR-QGZVFWFLSA-N 2 1 353.507 0.816 20 30 FCEDMP C=CCC[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252596250 857822864 /nfs/dbraw/zinc/82/28/64/857822864.db2.gz OYYDHLFADASEGR-QGZVFWFLSA-N 2 1 353.507 0.816 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)c1ccc(Cl)cc1 ZINC000104161125 229161863 /nfs/dbraw/zinc/16/18/63/229161863.db2.gz MXPAKMBNVKVUGN-UHFFFAOYSA-N 2 1 367.881 0.696 20 30 FCEDMP Cc1cccc(OC[C@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264128462 229323845 /nfs/dbraw/zinc/32/38/45/229323845.db2.gz XDRLSRPWPDIMHA-MRXNPFEDSA-N 2 1 350.463 0.361 20 30 FCEDMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000328710733 488932147 /nfs/dbraw/zinc/93/21/47/488932147.db2.gz MUTHZCGIPKLELC-DLBZAZTESA-N 2 1 354.495 0.665 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccnc1OCC(F)F ZINC000270592515 488517146 /nfs/dbraw/zinc/51/71/46/488517146.db2.gz IYVHVTSIYAHQOZ-UHFFFAOYSA-N 2 1 357.405 0.852 20 30 FCEDMP CCS(=O)(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)s1 ZINC000279989530 488978960 /nfs/dbraw/zinc/97/89/60/488978960.db2.gz LMVDKYROJYVLPU-UHFFFAOYSA-N 2 1 374.532 0.668 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H](C)C1 ZINC000329270979 488988084 /nfs/dbraw/zinc/98/80/84/488988084.db2.gz HUZQAVRZEILUSM-ATLSCFEFSA-N 2 1 368.522 0.665 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@@H]1C ZINC000329853152 489042386 /nfs/dbraw/zinc/04/23/86/489042386.db2.gz RWSPTQJYOUCURD-ONIAQPFYSA-N 2 1 368.522 0.665 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000330349030 489093157 /nfs/dbraw/zinc/09/31/57/489093157.db2.gz JLRPBMDZLOJEPG-CQSZACIVSA-N 2 1 363.466 0.455 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000330349030 489093158 /nfs/dbraw/zinc/09/31/58/489093158.db2.gz JLRPBMDZLOJEPG-CQSZACIVSA-N 2 1 363.466 0.455 20 30 FCEDMP C#CC(C)(C)N(C)CC(=O)N1CCN(C(=O)C[N@H+](C)C(C)(C)C#C)CC1 ZINC000286116708 489357875 /nfs/dbraw/zinc/35/78/75/489357875.db2.gz LXTHUBNPENQROB-UHFFFAOYSA-N 2 1 360.502 0.344 20 30 FCEDMP C#CC(C)(C)N(C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)(C)C#C)CC1 ZINC000286116708 489357877 /nfs/dbraw/zinc/35/78/77/489357877.db2.gz LXTHUBNPENQROB-UHFFFAOYSA-N 2 1 360.502 0.344 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCN3CC[NH2+]CC3)CC2)cc1 ZINC000563799019 491269778 /nfs/dbraw/zinc/26/97/78/491269778.db2.gz IMPOHVQRSLNGCF-UHFFFAOYSA-N 2 1 370.501 0.681 20 30 FCEDMP CC(C)([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420063905 489900034 /nfs/dbraw/zinc/90/00/34/489900034.db2.gz VIFWWNBIYOCKCD-UHFFFAOYSA-N 2 1 357.458 0.446 20 30 FCEDMP CC(C)([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420063905 489900036 /nfs/dbraw/zinc/90/00/36/489900036.db2.gz VIFWWNBIYOCKCD-UHFFFAOYSA-N 2 1 357.458 0.446 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCn1cnc(C#N)n1 ZINC000510609468 490527679 /nfs/dbraw/zinc/52/76/79/490527679.db2.gz ZFLRIBSWVGQDHH-HNNXBMFYSA-N 2 1 362.482 0.207 20 30 FCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514856105 490793556 /nfs/dbraw/zinc/79/35/56/490793556.db2.gz QZOBFYKWCMPCEK-IBGZPJMESA-N 2 1 373.501 0.370 20 30 FCEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cn1cnc(C#N)n1 ZINC000610886217 492266340 /nfs/dbraw/zinc/26/63/40/492266340.db2.gz UWLBNMLCZICBRI-UHFFFAOYSA-N 2 1 373.505 0.804 20 30 FCEDMP O=C1CC[C@@H]2C[NH+](CC#CC[N@H+]3CC[C@@H]4NC(=O)CC[C@@H]4C3)CC[C@@H]2N1 ZINC000661602095 493451500 /nfs/dbraw/zinc/45/15/00/493451500.db2.gz PYGJQZCJOSLONC-BDXSIMOUSA-N 2 1 358.486 0.191 20 30 FCEDMP C[NH+]=C(NCCN1CCSCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262799683 526359179 /nfs/dbraw/zinc/35/91/79/526359179.db2.gz QUONFKCWBWHMCB-MRXNPFEDSA-N 2 1 355.552 0.265 20 30 FCEDMP CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=[NH2+])N(C)C)cc2)CC1 ZINC000264320978 526628186 /nfs/dbraw/zinc/62/81/86/526628186.db2.gz XLMUBKOPNMYTDY-UHFFFAOYSA-N 2 1 361.490 0.648 20 30 FCEDMP CC(C)C[N@H+]1CCO[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000262356138 528012650 /nfs/dbraw/zinc/01/26/50/528012650.db2.gz UZPYGQMRDLJHKW-INIZCTEOSA-N 2 1 361.494 0.270 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000261794122 528811981 /nfs/dbraw/zinc/81/19/81/528811981.db2.gz LHDLZUQSVWMUBZ-LJQANCHMSA-N 2 1 362.566 0.948 20 30 FCEDMP CC[NH+]=C(NC[C@H]1CC[N@@H+](CC)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261683214 528814246 /nfs/dbraw/zinc/81/42/46/528814246.db2.gz HVQXLCWFLZAEMO-OAHLLOKOSA-N 2 1 361.494 0.376 20 30 FCEDMP CC[N@H+]1CCCC[C@@H]1CNC(=[NH+]C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261623018 528997329 /nfs/dbraw/zinc/99/73/29/528997329.db2.gz BPRLLBBUIYYZFW-OAHLLOKOSA-N 2 1 361.494 0.519 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccs1 ZINC000160475657 529070327 /nfs/dbraw/zinc/07/03/27/529070327.db2.gz KZWBFWDPAIPIJA-GFCCVEGCSA-N 2 1 359.521 0.415 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)C[C@@H](C)C#N ZINC000409591010 529071971 /nfs/dbraw/zinc/07/19/71/529071971.db2.gz IBQDJAJNUBRPSU-JKSUJKDBSA-N 2 1 359.540 0.671 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(S(N)(=O)=O)cc1 ZINC000264128574 529072923 /nfs/dbraw/zinc/07/29/23/529072923.db2.gz SPYFLLYYYAKRMR-CQSZACIVSA-N 2 1 353.492 0.265 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCC(N)=O)c(OC)c1 ZINC000264087924 529073946 /nfs/dbraw/zinc/07/39/46/529073946.db2.gz JZECUPJTWCNXGX-CQSZACIVSA-N 2 1 363.462 0.448 20 30 FCEDMP CC[NH+]1CCN(CCCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264080915 529143018 /nfs/dbraw/zinc/14/30/18/529143018.db2.gz HIJUVJCDLFLCGJ-UHFFFAOYSA-N 2 1 374.537 0.331 20 30 FCEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123403 674395298 /nfs/dbraw/zinc/39/52/98/674395298.db2.gz ANWMEQLHHFDPMX-IAGOWNOFSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949123403 674395299 /nfs/dbraw/zinc/39/52/99/674395299.db2.gz ANWMEQLHHFDPMX-IAGOWNOFSA-N 2 1 351.491 0.975 20 30 FCEDMP C[C@@H]1CN(C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[C@@H](C)O1 ZINC000303773788 674571330 /nfs/dbraw/zinc/57/13/30/674571330.db2.gz FMPPESYNNWNSDG-HZPDHXFCSA-N 2 1 355.527 0.501 20 30 FCEDMP CN(C(=O)NCC#CCO)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000923775426 663933404 /nfs/dbraw/zinc/93/34/04/663933404.db2.gz OREONECVALNAJI-QZTJIDSGSA-N 2 1 350.507 0.961 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000303906030 674572944 /nfs/dbraw/zinc/57/29/44/674572944.db2.gz VTTNVFRFXDFFFT-CYBMUJFWSA-N 2 1 351.417 0.497 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOc1ccc2c(c1)OCO2 ZINC000303896405 674572978 /nfs/dbraw/zinc/57/29/78/674572978.db2.gz ULKQZQYTHYHCDZ-UHFFFAOYSA-N 2 1 350.419 0.421 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291749 1169657047 /nfs/dbraw/zinc/65/70/47/1169657047.db2.gz SXSCMLMWMJXYKN-BRWVUGGUSA-N 2 1 371.485 0.584 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104306307 1169873749 /nfs/dbraw/zinc/87/37/49/1169873749.db2.gz WYPXCYDIHDSPQH-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCC2)C1 ZINC001104306307 1169873751 /nfs/dbraw/zinc/87/37/51/1169873751.db2.gz WYPXCYDIHDSPQH-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001691358911 1171203802 /nfs/dbraw/zinc/20/38/02/1171203802.db2.gz ZVJKNCKAHHBYMG-IKGGRYGDSA-N 2 1 363.506 0.717 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1c[nH+]cc1C ZINC001691364089 1171208681 /nfs/dbraw/zinc/20/86/81/1171208681.db2.gz VFAJROZOYGFEEA-PVAVHDDUSA-N 2 1 359.474 0.546 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211557606 1172072014 /nfs/dbraw/zinc/07/20/14/1172072014.db2.gz XTCWGGCPDKGECE-IPMKNSEASA-N 2 1 370.497 0.967 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000988992509 1192606459 /nfs/dbraw/zinc/60/64/59/1192606459.db2.gz QILNIURCAQTURE-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000988992509 1192606468 /nfs/dbraw/zinc/60/64/68/1192606468.db2.gz QILNIURCAQTURE-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000988992509 1192606480 /nfs/dbraw/zinc/60/64/80/1192606480.db2.gz QILNIURCAQTURE-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000988992509 1192606484 /nfs/dbraw/zinc/60/64/84/1192606484.db2.gz QILNIURCAQTURE-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000973335837 1182240804 /nfs/dbraw/zinc/24/08/04/1182240804.db2.gz VBKFGFIICLGRLS-TXTZMMAHSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000973335837 1182240809 /nfs/dbraw/zinc/24/08/09/1182240809.db2.gz VBKFGFIICLGRLS-TXTZMMAHSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000973335837 1182240817 /nfs/dbraw/zinc/24/08/17/1182240817.db2.gz VBKFGFIICLGRLS-TXTZMMAHSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000973335837 1182240822 /nfs/dbraw/zinc/24/08/22/1182240822.db2.gz VBKFGFIICLGRLS-TXTZMMAHSA-N 2 1 360.502 0.578 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104796061 1182924817 /nfs/dbraw/zinc/92/48/17/1182924817.db2.gz GMMIOHGPLJCDBL-IAGOWNOFSA-N 2 1 366.506 0.085 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529693 1186087659 /nfs/dbraw/zinc/08/76/59/1186087659.db2.gz LBTPKLAJQCZFOB-UWVAXJGDSA-N 2 1 360.502 0.296 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000979869351 1186132082 /nfs/dbraw/zinc/13/20/82/1186132082.db2.gz AQJWHCGSMPINDV-ZKXLYKBJSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000979869351 1186132087 /nfs/dbraw/zinc/13/20/87/1186132087.db2.gz AQJWHCGSMPINDV-ZKXLYKBJSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000979869351 1186132089 /nfs/dbraw/zinc/13/20/89/1186132089.db2.gz AQJWHCGSMPINDV-ZKXLYKBJSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000979869351 1186132092 /nfs/dbraw/zinc/13/20/92/1186132092.db2.gz AQJWHCGSMPINDV-ZKXLYKBJSA-N 2 1 360.502 0.435 20 30 FCEDMP C[N@H+]1CC[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211720411 1187465295 /nfs/dbraw/zinc/46/52/95/1187465295.db2.gz GIWNALPJJAUARD-OKZBNKHCSA-N 2 1 369.469 0.162 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087997920 1190173778 /nfs/dbraw/zinc/17/37/78/1190173778.db2.gz HHIOYENIRCUMPJ-SQNIBIBYSA-N 2 1 358.486 0.097 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087997920 1190173783 /nfs/dbraw/zinc/17/37/83/1190173783.db2.gz HHIOYENIRCUMPJ-SQNIBIBYSA-N 2 1 358.486 0.097 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087997920 1190173789 /nfs/dbraw/zinc/17/37/89/1190173789.db2.gz HHIOYENIRCUMPJ-SQNIBIBYSA-N 2 1 358.486 0.097 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)N3CCC3)CC[C@@H]2C1 ZINC001087997920 1190173794 /nfs/dbraw/zinc/17/37/94/1190173794.db2.gz HHIOYENIRCUMPJ-SQNIBIBYSA-N 2 1 358.486 0.097 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)C1=O ZINC001088042643 1190301118 /nfs/dbraw/zinc/30/11/18/1190301118.db2.gz AUUXSPJCROCTKB-SQNIBIBYSA-N 2 1 371.485 0.759 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)C1=O ZINC001088042643 1190301123 /nfs/dbraw/zinc/30/11/23/1190301123.db2.gz AUUXSPJCROCTKB-SQNIBIBYSA-N 2 1 371.485 0.759 20 30 FCEDMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897358542 1190817024 /nfs/dbraw/zinc/81/70/24/1190817024.db2.gz UTFAZICITRKDTC-HZPDHXFCSA-N 2 1 362.518 0.968 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001691584753 1193739432 /nfs/dbraw/zinc/73/94/32/1193739432.db2.gz KHNZPCQEYZJMAN-BBWFWOEESA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001691584753 1193739435 /nfs/dbraw/zinc/73/94/35/1193739435.db2.gz KHNZPCQEYZJMAN-BBWFWOEESA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001691584753 1193739438 /nfs/dbraw/zinc/73/94/38/1193739438.db2.gz KHNZPCQEYZJMAN-BBWFWOEESA-N 2 1 350.507 0.798 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccc(OC)cc2)C[C@@H]1O ZINC001083537114 1194228858 /nfs/dbraw/zinc/22/88/58/1194228858.db2.gz CIUCDDDLZPGDJH-AABGKKOBSA-N 2 1 371.481 0.497 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCc2ccc(OC)cc2)C[C@@H]1O ZINC001083537114 1194228861 /nfs/dbraw/zinc/22/88/61/1194228861.db2.gz CIUCDDDLZPGDJH-AABGKKOBSA-N 2 1 371.481 0.497 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)C1=O ZINC001076571406 1194576990 /nfs/dbraw/zinc/57/69/90/1194576990.db2.gz IUPGGHCTYWXVMN-GVDBMIGSSA-N 2 1 357.458 0.511 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)C1=O ZINC001076571406 1194576997 /nfs/dbraw/zinc/57/69/97/1194576997.db2.gz IUPGGHCTYWXVMN-GVDBMIGSSA-N 2 1 357.458 0.511 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)C[NH+](CC)CC)[C@H]3C2)C1=O ZINC001218814429 1224230409 /nfs/dbraw/zinc/23/04/09/1224230409.db2.gz QXUTXTGNJIYJNR-IXDOHACOSA-N 2 1 364.490 0.027 20 30 FCEDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000592432208 1196623313 /nfs/dbraw/zinc/62/33/13/1196623313.db2.gz MUVHCSCXLYFNOK-IAGOWNOFSA-N 2 1 370.453 0.942 20 30 FCEDMP C[N@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593514168 1196801064 /nfs/dbraw/zinc/80/10/64/1196801064.db2.gz SCDDSUSWHBTXBW-HXUWFJFHSA-N 2 1 371.485 0.888 20 30 FCEDMP C=CCOCC[N@H+](CCO)C1CCN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)CC1 ZINC001098404099 1198132095 /nfs/dbraw/zinc/13/20/95/1198132095.db2.gz DICROUTZBIQUQA-SJLPKXTDSA-N 2 1 369.506 0.193 20 30 FCEDMP C=CCOCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404099 1198132103 /nfs/dbraw/zinc/13/21/03/1198132103.db2.gz DICROUTZBIQUQA-SJLPKXTDSA-N 2 1 369.506 0.193 20 30 FCEDMP C=CCOCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404099 1198132118 /nfs/dbraw/zinc/13/21/18/1198132118.db2.gz DICROUTZBIQUQA-SJLPKXTDSA-N 2 1 369.506 0.193 20 30 FCEDMP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404099 1198132125 /nfs/dbraw/zinc/13/21/25/1198132125.db2.gz DICROUTZBIQUQA-SJLPKXTDSA-N 2 1 369.506 0.193 20 30 FCEDMP C=CCOCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404099 1198132134 /nfs/dbraw/zinc/13/21/34/1198132134.db2.gz DICROUTZBIQUQA-SJLPKXTDSA-N 2 1 369.506 0.193 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C3)C1=O ZINC001109410615 1200252153 /nfs/dbraw/zinc/25/21/53/1200252153.db2.gz LZATXXWOIXZJHE-VSZNYVQBSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C2CCC2)C3)C1=O ZINC001109410615 1200252156 /nfs/dbraw/zinc/25/21/56/1200252156.db2.gz LZATXXWOIXZJHE-VSZNYVQBSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)C1=O ZINC001109410615 1200252167 /nfs/dbraw/zinc/25/21/67/1200252167.db2.gz LZATXXWOIXZJHE-VSZNYVQBSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)C1=O ZINC001109410615 1200252176 /nfs/dbraw/zinc/25/21/76/1200252176.db2.gz LZATXXWOIXZJHE-VSZNYVQBSA-N 2 1 360.502 0.979 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729065 1200490215 /nfs/dbraw/zinc/49/02/15/1200490215.db2.gz RXEJIDYQDDNFCX-YVSFHVDLSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729065 1200490216 /nfs/dbraw/zinc/49/02/16/1200490216.db2.gz RXEJIDYQDDNFCX-YVSFHVDLSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729065 1200490222 /nfs/dbraw/zinc/49/02/22/1200490222.db2.gz RXEJIDYQDDNFCX-YVSFHVDLSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729065 1200490225 /nfs/dbraw/zinc/49/02/25/1200490225.db2.gz RXEJIDYQDDNFCX-YVSFHVDLSA-N 2 1 362.518 0.824 20 30 FCEDMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112564000 1200800634 /nfs/dbraw/zinc/80/06/34/1200800634.db2.gz YJLMPUBFVWPAGL-BXWFABGCSA-N 2 1 361.490 0.186 20 30 FCEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)C1 ZINC001112583530 1200820696 /nfs/dbraw/zinc/82/06/96/1200820696.db2.gz WRPFWPLYLDZJOJ-NSHGMRRFSA-N 2 1 363.502 0.575 20 30 FCEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)C1 ZINC001112583530 1200820698 /nfs/dbraw/zinc/82/06/98/1200820698.db2.gz WRPFWPLYLDZJOJ-NSHGMRRFSA-N 2 1 363.502 0.575 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586387 1200822848 /nfs/dbraw/zinc/82/28/48/1200822848.db2.gz XGTCZDOMXNUHLZ-ZWOKBUDYSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001110101805 1201285825 /nfs/dbraw/zinc/28/58/25/1201285825.db2.gz GNXRMURAWPKWOY-MHORFTMASA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001110101805 1201285830 /nfs/dbraw/zinc/28/58/30/1201285830.db2.gz GNXRMURAWPKWOY-MHORFTMASA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101805 1201285837 /nfs/dbraw/zinc/28/58/37/1201285837.db2.gz GNXRMURAWPKWOY-MHORFTMASA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001110101805 1201285840 /nfs/dbraw/zinc/28/58/40/1201285840.db2.gz GNXRMURAWPKWOY-MHORFTMASA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400250 1201305126 /nfs/dbraw/zinc/30/51/26/1201305126.db2.gz AGAJULWDSQASDD-SJORKVTESA-N 2 1 364.494 0.554 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400250 1201305131 /nfs/dbraw/zinc/30/51/31/1201305131.db2.gz AGAJULWDSQASDD-SJORKVTESA-N 2 1 364.494 0.554 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129400250 1201305137 /nfs/dbraw/zinc/30/51/37/1201305137.db2.gz AGAJULWDSQASDD-SJORKVTESA-N 2 1 364.494 0.554 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892121 1201416065 /nfs/dbraw/zinc/41/60/65/1201416065.db2.gz JDXHPSJLZQTFCS-KSZLIROESA-N 2 1 358.490 0.906 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892479 1201416352 /nfs/dbraw/zinc/41/63/52/1201416352.db2.gz ZKZRWCHKRYUCLE-OAGGEKHMSA-N 2 1 353.430 0.417 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896032 1201430445 /nfs/dbraw/zinc/43/04/45/1201430445.db2.gz OKGNZGIXWZBTOS-KSZLIROESA-N 2 1 358.490 0.621 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001129978013 1201460541 /nfs/dbraw/zinc/46/05/41/1201460541.db2.gz NXTOHDYCMAPHTF-IXDOHACOSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001129978013 1201460544 /nfs/dbraw/zinc/46/05/44/1201460544.db2.gz NXTOHDYCMAPHTF-IXDOHACOSA-N 2 1 362.478 0.305 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040913 1201478311 /nfs/dbraw/zinc/47/83/11/1201478311.db2.gz RQMWJGOETDQCCO-SJORKVTESA-N 2 1 362.478 0.308 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086138 1201494013 /nfs/dbraw/zinc/49/40/13/1201494013.db2.gz NENIJJSPAXAFIL-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130216475 1201547932 /nfs/dbraw/zinc/54/79/32/1201547932.db2.gz YMBIUDVRMXFUOU-DZKIICNBSA-N 2 1 364.494 0.655 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001130251506 1201569938 /nfs/dbraw/zinc/56/99/38/1201569938.db2.gz YIKOGIOTBYDJPX-GJZGRUSLSA-N 2 1 364.494 0.799 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001130251506 1201569942 /nfs/dbraw/zinc/56/99/42/1201569942.db2.gz YIKOGIOTBYDJPX-GJZGRUSLSA-N 2 1 364.494 0.799 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001130251506 1201569945 /nfs/dbraw/zinc/56/99/45/1201569945.db2.gz YIKOGIOTBYDJPX-GJZGRUSLSA-N 2 1 364.494 0.799 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001130692700 1202755160 /nfs/dbraw/zinc/75/51/60/1202755160.db2.gz ZGBRIYUPHLATIK-FUHWJXTLSA-N 2 1 361.490 0.603 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1 ZINC001130719334 1202765713 /nfs/dbraw/zinc/76/57/13/1202765713.db2.gz KAHMYYVHOISFBS-FUHWJXTLSA-N 2 1 361.490 0.296 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130725795 1202767284 /nfs/dbraw/zinc/76/72/84/1202767284.db2.gz FQBOUGYVDOSETL-SOLBZPMBSA-N 2 1 361.490 0.458 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731787 1202772004 /nfs/dbraw/zinc/77/20/04/1202772004.db2.gz PNXPAIMLESUTMR-CGTJXYLNSA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731787 1202772006 /nfs/dbraw/zinc/77/20/06/1202772006.db2.gz PNXPAIMLESUTMR-CGTJXYLNSA-N 2 1 361.490 0.601 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001130782986 1202794576 /nfs/dbraw/zinc/79/45/76/1202794576.db2.gz IPXKSNXECHTOFV-QKPAOTATSA-N 2 1 374.489 0.594 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C3CCC3)n2)O1 ZINC001130790010 1202797807 /nfs/dbraw/zinc/79/78/07/1202797807.db2.gz CMWQDAHHOQGFTC-LSDHHAIUSA-N 2 1 362.478 0.901 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000815860581 1203055240 /nfs/dbraw/zinc/05/52/40/1203055240.db2.gz RRFKHPFVKJFNOO-UHFFFAOYSA-N 2 1 360.458 0.767 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091748264 1204841730 /nfs/dbraw/zinc/84/17/30/1204841730.db2.gz IBQPTYWJAWTUJG-HBFSDRIKSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091748264 1204841731 /nfs/dbraw/zinc/84/17/31/1204841731.db2.gz IBQPTYWJAWTUJG-HBFSDRIKSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091748264 1204841734 /nfs/dbraw/zinc/84/17/34/1204841734.db2.gz IBQPTYWJAWTUJG-HBFSDRIKSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3cnn(C)c3)C[C@@]2(C)C1 ZINC001091748264 1204841735 /nfs/dbraw/zinc/84/17/35/1204841735.db2.gz IBQPTYWJAWTUJG-HBFSDRIKSA-N 2 1 355.486 0.798 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936718 1205963137 /nfs/dbraw/zinc/96/31/37/1205963137.db2.gz HXDMNRGWFAIPDF-NXHRZFHOSA-N 2 1 362.518 0.799 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC)CC1 ZINC001110146359 1206091182 /nfs/dbraw/zinc/09/11/82/1206091182.db2.gz WVCXQXLXPVFRMZ-SQNIBIBYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC)CC1 ZINC001110146359 1206091186 /nfs/dbraw/zinc/09/11/86/1206091186.db2.gz WVCXQXLXPVFRMZ-SQNIBIBYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149619 1206132514 /nfs/dbraw/zinc/13/25/14/1206132514.db2.gz RNDMLMKTXOVJMX-BDXSIMOUSA-N 2 1 360.502 0.722 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149619 1206132516 /nfs/dbraw/zinc/13/25/16/1206132516.db2.gz RNDMLMKTXOVJMX-BDXSIMOUSA-N 2 1 360.502 0.722 20 30 FCEDMP C#CCC[NH2+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001185943756 1206489054 /nfs/dbraw/zinc/48/90/54/1206489054.db2.gz UVBZOJPFWJCNKR-BPQIPLTHSA-N 2 1 358.490 0.895 20 30 FCEDMP C#CCNCc1cn([C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001185953857 1206489142 /nfs/dbraw/zinc/48/91/42/1206489142.db2.gz HRAIYVLGBSMLEX-FGTMMUONSA-N 2 1 358.490 0.895 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001188348538 1207449692 /nfs/dbraw/zinc/44/96/92/1207449692.db2.gz CYRASCRJZSVIAT-SUNYJGFJSA-N 2 1 365.437 0.847 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001188348538 1207449695 /nfs/dbraw/zinc/44/96/95/1207449695.db2.gz CYRASCRJZSVIAT-SUNYJGFJSA-N 2 1 365.437 0.847 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562800 1207463388 /nfs/dbraw/zinc/46/33/88/1207463388.db2.gz SEGXJDCVFOBKCO-RVKKMQEKSA-N 2 1 365.437 0.619 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562800 1207463389 /nfs/dbraw/zinc/46/33/89/1207463389.db2.gz SEGXJDCVFOBKCO-RVKKMQEKSA-N 2 1 365.437 0.619 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136376 1207512068 /nfs/dbraw/zinc/51/20/68/1207512068.db2.gz WUJVXTUYDRQXMD-IXDOHACOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136376 1207512072 /nfs/dbraw/zinc/51/20/72/1207512072.db2.gz WUJVXTUYDRQXMD-IXDOHACOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136376 1207512075 /nfs/dbraw/zinc/51/20/75/1207512075.db2.gz WUJVXTUYDRQXMD-IXDOHACOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136376 1207512078 /nfs/dbraw/zinc/51/20/78/1207512078.db2.gz WUJVXTUYDRQXMD-IXDOHACOSA-N 2 1 360.502 0.389 20 30 FCEDMP CCC[N@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001189898524 1207624214 /nfs/dbraw/zinc/62/42/14/1207624214.db2.gz KXTJEJSUOJVHDE-DLBZAZTESA-N 2 1 363.506 0.623 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]2C[NH+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001189898524 1207624221 /nfs/dbraw/zinc/62/42/21/1207624221.db2.gz KXTJEJSUOJVHDE-DLBZAZTESA-N 2 1 363.506 0.623 20 30 FCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001189898524 1207624226 /nfs/dbraw/zinc/62/42/26/1207624226.db2.gz KXTJEJSUOJVHDE-DLBZAZTESA-N 2 1 363.506 0.623 20 30 FCEDMP CCC[NH+](C)CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]21 ZINC001189898524 1207624229 /nfs/dbraw/zinc/62/42/29/1207624229.db2.gz KXTJEJSUOJVHDE-DLBZAZTESA-N 2 1 363.506 0.623 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190318096 1207674927 /nfs/dbraw/zinc/67/49/27/1207674927.db2.gz NUAGRIYAFGMIEZ-RBUKOAKNSA-N 2 1 368.481 0.644 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)[C@@H]2C1 ZINC001190318096 1207674929 /nfs/dbraw/zinc/67/49/29/1207674929.db2.gz NUAGRIYAFGMIEZ-RBUKOAKNSA-N 2 1 368.481 0.644 20 30 FCEDMP C=C[C@H](O)C[NH+]1CCC2(C[C@@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276815430 1225018130 /nfs/dbraw/zinc/01/81/30/1225018130.db2.gz PTHOBRNOMXAONH-ZWKOTPCHSA-N 2 1 364.534 0.389 20 30 FCEDMP CCCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194831962 1207978030 /nfs/dbraw/zinc/97/80/30/1207978030.db2.gz JACBGUDHWFIEGM-SYJBPTKTSA-N 2 1 365.518 0.981 20 30 FCEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194831962 1207978031 /nfs/dbraw/zinc/97/80/31/1207978031.db2.gz JACBGUDHWFIEGM-SYJBPTKTSA-N 2 1 365.518 0.981 20 30 FCEDMP CCCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194831962 1207978035 /nfs/dbraw/zinc/97/80/35/1207978035.db2.gz JACBGUDHWFIEGM-SYJBPTKTSA-N 2 1 365.518 0.981 20 30 FCEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001195692314 1208035221 /nfs/dbraw/zinc/03/52/21/1208035221.db2.gz ZPNYRQMCOCIQLO-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001195692314 1208035222 /nfs/dbraw/zinc/03/52/22/1208035222.db2.gz ZPNYRQMCOCIQLO-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104475 1208318786 /nfs/dbraw/zinc/31/87/86/1208318786.db2.gz NGJFAAFZPNFXSD-BRWVUGGUSA-N 2 1 368.522 0.301 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718063 1209742273 /nfs/dbraw/zinc/74/22/73/1209742273.db2.gz XGWLMJZTIMHIKF-KURKYZTESA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001110718063 1209742277 /nfs/dbraw/zinc/74/22/77/1209742277.db2.gz XGWLMJZTIMHIKF-KURKYZTESA-N 2 1 363.502 0.716 20 30 FCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412289 1210733878 /nfs/dbraw/zinc/73/38/78/1210733878.db2.gz MZWWNDFKELMIKY-URTYCYGZSA-N 2 1 359.518 0.753 20 30 FCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412289 1210733883 /nfs/dbraw/zinc/73/38/83/1210733883.db2.gz MZWWNDFKELMIKY-URTYCYGZSA-N 2 1 359.518 0.753 20 30 FCEDMP C#CCNC(=O)CC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CCC(=O)NCC#C)CC1 ZINC000886389767 1210828962 /nfs/dbraw/zinc/82/89/62/1210828962.db2.gz XDPMLDAAAVKTDF-IYARVYRRSA-N 2 1 360.502 0.440 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@H]1CC[C@H]([N@H+](C)[C@@H](C)C(=O)NCC#C)CC1 ZINC000886393856 1210828993 /nfs/dbraw/zinc/82/89/93/1210828993.db2.gz FYLPWCULDRNLKP-XSLAGTTESA-N 2 1 360.502 0.437 20 30 FCEDMP C[NH+](C)CCN1C(=O)COCC12C[NH+](CCCc1ccc(C#N)cc1)C2 ZINC001276279350 1211405387 /nfs/dbraw/zinc/40/53/87/1211405387.db2.gz KLSQAEPLECENGR-UHFFFAOYSA-N 2 1 356.470 0.966 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC000949185325 1212316816 /nfs/dbraw/zinc/31/68/16/1212316816.db2.gz ZISLHRAKAGIAFU-BPQIPLTHSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001020300309 1214332225 /nfs/dbraw/zinc/33/22/25/1214332225.db2.gz CRNXRVRKYMKFCW-WKULXVSPSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001020300309 1214332231 /nfs/dbraw/zinc/33/22/31/1214332231.db2.gz CRNXRVRKYMKFCW-WKULXVSPSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001020300309 1214332241 /nfs/dbraw/zinc/33/22/41/1214332241.db2.gz CRNXRVRKYMKFCW-WKULXVSPSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001020300309 1214332247 /nfs/dbraw/zinc/33/22/47/1214332247.db2.gz CRNXRVRKYMKFCW-WKULXVSPSA-N 2 1 360.502 0.530 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891602 1225663041 /nfs/dbraw/zinc/66/30/41/1225663041.db2.gz FWOSHDFKDOSHKJ-ZACQAIPSSA-N 2 1 371.485 0.986 20 30 FCEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CCN(CC(=O)NCC#N)[C@H]2C1 ZINC001222921959 1225667379 /nfs/dbraw/zinc/66/73/79/1225667379.db2.gz NNZTYMIQCZGCFG-ZACQAIPSSA-N 2 1 361.490 0.423 20 30 FCEDMP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222921959 1225667384 /nfs/dbraw/zinc/66/73/84/1225667384.db2.gz NNZTYMIQCZGCFG-ZACQAIPSSA-N 2 1 361.490 0.423 20 30 FCEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1 ZINC001222921959 1225667391 /nfs/dbraw/zinc/66/73/91/1225667391.db2.gz NNZTYMIQCZGCFG-ZACQAIPSSA-N 2 1 361.490 0.423 20 30 FCEDMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222921959 1225667397 /nfs/dbraw/zinc/66/73/97/1225667397.db2.gz NNZTYMIQCZGCFG-ZACQAIPSSA-N 2 1 361.490 0.423 20 30 FCEDMP C[NH+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001222921959 1225667401 /nfs/dbraw/zinc/66/74/01/1225667401.db2.gz NNZTYMIQCZGCFG-ZACQAIPSSA-N 2 1 361.490 0.423 20 30 FCEDMP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045672515 1217947357 /nfs/dbraw/zinc/94/73/57/1217947357.db2.gz FEBFGPHTEGGENG-KZNAEPCWSA-N 2 1 363.502 0.716 20 30 FCEDMP CC#CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045672515 1217947361 /nfs/dbraw/zinc/94/73/61/1217947361.db2.gz FEBFGPHTEGGENG-KZNAEPCWSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001226767172 1225854047 /nfs/dbraw/zinc/85/40/47/1225854047.db2.gz SLVZQUXDRVEMIE-RCCFBDPRSA-N 2 1 362.518 0.731 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001227614263 1225880175 /nfs/dbraw/zinc/88/01/75/1225880175.db2.gz WEAKEZJJMFZQRE-MOXMWUHRSA-N 2 1 361.486 0.516 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070209098 1219294678 /nfs/dbraw/zinc/29/46/78/1219294678.db2.gz MDBRRWBPYXRTSV-KURKYZTESA-N 2 1 356.474 0.660 20 30 FCEDMP C#CC[NH+]1C[C@@H](c2nnc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[nH]2)[C@H](C2CC2)C1 ZINC001070352121 1219387923 /nfs/dbraw/zinc/38/79/23/1219387923.db2.gz FAJAKIYQQKQACC-MXASKKJJSA-N 2 1 370.501 0.820 20 30 FCEDMP C#CC[N@H+]1C[C@@H](c2nnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[nH]2)[C@H](C2CC2)C1 ZINC001070352121 1219387926 /nfs/dbraw/zinc/38/79/26/1219387926.db2.gz FAJAKIYQQKQACC-MXASKKJJSA-N 2 1 370.501 0.820 20 30 FCEDMP C#CC[N@@H+]1C[C@@H](c2nnc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[nH]2)[C@H](C2CC2)C1 ZINC001070352121 1219387928 /nfs/dbraw/zinc/38/79/28/1219387928.db2.gz FAJAKIYQQKQACC-MXASKKJJSA-N 2 1 370.501 0.820 20 30 FCEDMP C#CC[NH+]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n2)[C@H](C2CC2)C1 ZINC001070352121 1219387933 /nfs/dbraw/zinc/38/79/33/1219387933.db2.gz FAJAKIYQQKQACC-MXASKKJJSA-N 2 1 370.501 0.820 20 30 FCEDMP C#CC[NH+]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)[C@H](C2CC2)C1 ZINC001070352121 1219387935 /nfs/dbraw/zinc/38/79/35/1219387935.db2.gz FAJAKIYQQKQACC-MXASKKJJSA-N 2 1 370.501 0.820 20 30 FCEDMP C#CC[N@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)n2)[C@H](C2CC2)C1 ZINC001070352121 1219387937 /nfs/dbraw/zinc/38/79/37/1219387937.db2.gz FAJAKIYQQKQACC-MXASKKJJSA-N 2 1 370.501 0.820 20 30 FCEDMP C#CC[N@@H+]1C[C@@H](c2n[nH]c(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)n2)[C@H](C2CC2)C1 ZINC001070352121 1219387941 /nfs/dbraw/zinc/38/79/41/1219387941.db2.gz FAJAKIYQQKQACC-MXASKKJJSA-N 2 1 370.501 0.820 20 30 FCEDMP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070371823 1219401679 /nfs/dbraw/zinc/40/16/79/1219401679.db2.gz MOQMHSNLENCXKT-UIXUWTQFSA-N 2 1 374.529 0.825 20 30 FCEDMP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001070375306 1219404002 /nfs/dbraw/zinc/40/40/02/1219404002.db2.gz ZFFJZFABHMHODA-XLIONFOSSA-N 2 1 371.485 0.690 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cncn1C ZINC001070655327 1219509861 /nfs/dbraw/zinc/50/98/61/1219509861.db2.gz GPIHQTWOIKWYDE-JFIYKMOQSA-N 2 1 371.489 0.317 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=C)C)C1 ZINC001070656549 1219511184 /nfs/dbraw/zinc/51/11/84/1219511184.db2.gz NBALRUQALFHLED-KURKYZTESA-N 2 1 355.486 0.978 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=C)C)C1 ZINC001070656549 1219511185 /nfs/dbraw/zinc/51/11/85/1219511185.db2.gz NBALRUQALFHLED-KURKYZTESA-N 2 1 355.486 0.978 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001098223573 1219743698 /nfs/dbraw/zinc/74/36/98/1219743698.db2.gz RQOIFNDFVBJPGE-NCOADZHNSA-N 2 1 358.486 0.591 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001098223573 1219743703 /nfs/dbraw/zinc/74/37/03/1219743703.db2.gz RQOIFNDFVBJPGE-NCOADZHNSA-N 2 1 358.486 0.591 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101343035 1220295193 /nfs/dbraw/zinc/29/51/93/1220295193.db2.gz ZSNVYBAIBUPQHX-FCEWJHQRSA-N 2 1 362.518 0.799 20 30 FCEDMP CC[C@@H](C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363241 1220302891 /nfs/dbraw/zinc/30/28/91/1220302891.db2.gz RQZFAVAAOPWHSR-GJYPPUQNSA-N 2 1 363.506 0.527 20 30 FCEDMP CC[C@@H](C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+](CC)CC ZINC001101363241 1220302895 /nfs/dbraw/zinc/30/28/95/1220302895.db2.gz RQZFAVAAOPWHSR-GJYPPUQNSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368781 1220304755 /nfs/dbraw/zinc/30/47/55/1220304755.db2.gz MXYBBFVANADINO-UZLBHIALSA-N 2 1 362.518 0.494 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368781 1220304758 /nfs/dbraw/zinc/30/47/58/1220304758.db2.gz MXYBBFVANADINO-UZLBHIALSA-N 2 1 362.518 0.494 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@]2(C)C1 ZINC001101368781 1220304766 /nfs/dbraw/zinc/30/47/66/1220304766.db2.gz MXYBBFVANADINO-UZLBHIALSA-N 2 1 362.518 0.494 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402403 1220324844 /nfs/dbraw/zinc/32/48/44/1220324844.db2.gz HFISPXCHAITONT-XLIONFOSSA-N 2 1 360.502 0.248 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047470 1220477525 /nfs/dbraw/zinc/47/75/25/1220477525.db2.gz HYYLBOFAAXOBSE-OAGGEKHMSA-N 2 1 357.458 0.194 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047470 1220477528 /nfs/dbraw/zinc/47/75/28/1220477528.db2.gz HYYLBOFAAXOBSE-OAGGEKHMSA-N 2 1 357.458 0.194 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185693 1220540541 /nfs/dbraw/zinc/54/05/41/1220540541.db2.gz PJNIAQGGVZHBQE-SUMDDJOVSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185694 1220540978 /nfs/dbraw/zinc/54/09/78/1220540978.db2.gz PJNIAQGGVZHBQE-SZVBFZGTSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213812 1220557239 /nfs/dbraw/zinc/55/72/39/1220557239.db2.gz SYXMNNUMDIZZBF-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469189 1220639954 /nfs/dbraw/zinc/63/99/54/1220639954.db2.gz UYFUSMFSYUHMNT-IXDOHACOSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102469189 1220639958 /nfs/dbraw/zinc/63/99/58/1220639958.db2.gz UYFUSMFSYUHMNT-IXDOHACOSA-N 2 1 366.506 0.084 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473758 1220643519 /nfs/dbraw/zinc/64/35/19/1220643519.db2.gz NZBFFNIBZZICIY-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)C1=O ZINC001102580781 1220704372 /nfs/dbraw/zinc/70/43/72/1220704372.db2.gz LJDAGOVIWRJXIF-DJIMGWMZSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@H](C)C2)C1=O ZINC001102580781 1220704378 /nfs/dbraw/zinc/70/43/78/1220704378.db2.gz LJDAGOVIWRJXIF-DJIMGWMZSA-N 2 1 359.474 0.663 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001102977052 1220814989 /nfs/dbraw/zinc/81/49/89/1220814989.db2.gz KRRUUIGPQHPNBF-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977052 1220814992 /nfs/dbraw/zinc/81/49/92/1220814992.db2.gz KRRUUIGPQHPNBF-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001102977052 1220814993 /nfs/dbraw/zinc/81/49/93/1220814993.db2.gz KRRUUIGPQHPNBF-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994176 1220817371 /nfs/dbraw/zinc/81/73/71/1220817371.db2.gz ULXRASBSEMNGBF-KBAYOESNSA-N 2 1 360.502 0.152 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001103497796 1220890885 /nfs/dbraw/zinc/89/08/85/1220890885.db2.gz ZJDRKNHXJBMENK-SJLPKXTDSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC001103752500 1220964151 /nfs/dbraw/zinc/96/41/51/1220964151.db2.gz JBBGDLUOGJNGHX-NVXWUHKLSA-N 2 1 359.474 0.989 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](Cc3cnon3)C[C@H]2C)CC1 ZINC001103752500 1220964155 /nfs/dbraw/zinc/96/41/55/1220964155.db2.gz JBBGDLUOGJNGHX-NVXWUHKLSA-N 2 1 359.474 0.989 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001104213775 1221022277 /nfs/dbraw/zinc/02/22/77/1221022277.db2.gz PSMMYKGQWGHCCX-WCXIOVBPSA-N 2 1 363.506 0.431 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861302 1221140238 /nfs/dbraw/zinc/14/02/38/1221140238.db2.gz GJUHNJKZFUDEFT-LPHOPBHVSA-N 2 1 363.506 0.671 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001111873283 1221145152 /nfs/dbraw/zinc/14/51/52/1221145152.db2.gz SVYBAOAYFWWXNF-JXFKEZNVSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001111873283 1221145157 /nfs/dbraw/zinc/14/51/57/1221145157.db2.gz SVYBAOAYFWWXNF-JXFKEZNVSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873283 1221145163 /nfs/dbraw/zinc/14/51/63/1221145163.db2.gz SVYBAOAYFWWXNF-JXFKEZNVSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001111873283 1221145165 /nfs/dbraw/zinc/14/51/65/1221145165.db2.gz SVYBAOAYFWWXNF-JXFKEZNVSA-N 2 1 362.518 0.684 20 30 FCEDMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001230279934 1226072153 /nfs/dbraw/zinc/07/21/53/1226072153.db2.gz JZIKYJIZPBXXIY-ZHALLVOQSA-N 2 1 371.485 0.946 20 30 FCEDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccc(C#N)nc3)CC2)C1 ZINC001140542794 1222599114 /nfs/dbraw/zinc/59/91/14/1222599114.db2.gz DSXSTCZAGUTJHK-UHFFFAOYSA-N 2 1 371.485 0.956 20 30 FCEDMP COc1ccc(C#N)cc1C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862389 1223179174 /nfs/dbraw/zinc/17/91/74/1223179174.db2.gz OZWMREWGRIUUOP-RDTXWAMCSA-N 2 1 360.458 0.882 20 30 FCEDMP COc1ccc(C#N)cc1C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862389 1223179180 /nfs/dbraw/zinc/17/91/80/1223179180.db2.gz OZWMREWGRIUUOP-RDTXWAMCSA-N 2 1 360.458 0.882 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208604202 1223561659 /nfs/dbraw/zinc/56/16/59/1223561659.db2.gz DPGSDWBIQBEYCD-VQIMIIECSA-N 2 1 370.497 0.590 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001208604202 1223561662 /nfs/dbraw/zinc/56/16/62/1223561662.db2.gz DPGSDWBIQBEYCD-VQIMIIECSA-N 2 1 370.497 0.590 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374328 1223792051 /nfs/dbraw/zinc/79/20/51/1223792051.db2.gz BBSPJCMIZSNJNQ-BRWVUGGUSA-N 2 1 368.522 0.567 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374328 1223792054 /nfs/dbraw/zinc/79/20/54/1223792054.db2.gz BBSPJCMIZSNJNQ-BRWVUGGUSA-N 2 1 368.522 0.567 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCCOC)C[C@H]2OC)CC1 ZINC001213919969 1223872283 /nfs/dbraw/zinc/87/22/83/1223872283.db2.gz KNZXMVLBDVKXEG-RTBURBONSA-N 2 1 365.518 0.964 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214856052 1223948332 /nfs/dbraw/zinc/94/83/32/1223948332.db2.gz WHVMAWFIOHDWMJ-DJIMGWMZSA-N 2 1 361.490 0.470 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(CC)CC)C1 ZINC001214880386 1223951351 /nfs/dbraw/zinc/95/13/51/1223951351.db2.gz GJFIFBPWJKTBHL-NXHRZFHOSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(CC)CC)C1 ZINC001214880386 1223951353 /nfs/dbraw/zinc/95/13/53/1223951353.db2.gz GJFIFBPWJKTBHL-NXHRZFHOSA-N 2 1 362.518 0.825 20 30 FCEDMP CCCC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216321236 1224044021 /nfs/dbraw/zinc/04/40/21/1224044021.db2.gz XSRNFJUGYVNDJE-ZACQAIPSSA-N 2 1 363.506 0.717 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000884371756 1245441600 /nfs/dbraw/zinc/44/16/00/1245441600.db2.gz WTABSODBQXRFEZ-QGZVFWFLSA-N 2 1 363.506 0.375 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000884371756 1245441603 /nfs/dbraw/zinc/44/16/03/1245441603.db2.gz WTABSODBQXRFEZ-QGZVFWFLSA-N 2 1 363.506 0.375 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000946909008 1248071367 /nfs/dbraw/zinc/07/13/67/1248071367.db2.gz BPXJBOMIYILDCF-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000946909008 1248071375 /nfs/dbraw/zinc/07/13/75/1248071375.db2.gz BPXJBOMIYILDCF-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000946909008 1248071383 /nfs/dbraw/zinc/07/13/83/1248071383.db2.gz BPXJBOMIYILDCF-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000946909008 1248071388 /nfs/dbraw/zinc/07/13/88/1248071388.db2.gz BPXJBOMIYILDCF-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC000997882079 1251733840 /nfs/dbraw/zinc/73/38/40/1251733840.db2.gz NFBJIQYVVALLRL-XWSJACJDSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC000997882079 1251733848 /nfs/dbraw/zinc/73/38/48/1251733848.db2.gz NFBJIQYVVALLRL-XWSJACJDSA-N 2 1 372.513 0.674 20 30 FCEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994304 1252265200 /nfs/dbraw/zinc/26/52/00/1252265200.db2.gz WWWGKLDDRPULEU-DJIMGWMZSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994304 1252265216 /nfs/dbraw/zinc/26/52/16/1252265216.db2.gz WWWGKLDDRPULEU-DJIMGWMZSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994304 1252265225 /nfs/dbraw/zinc/26/52/25/1252265225.db2.gz WWWGKLDDRPULEU-DJIMGWMZSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994304 1252265235 /nfs/dbraw/zinc/26/52/35/1252265235.db2.gz WWWGKLDDRPULEU-DJIMGWMZSA-N 2 1 362.478 0.436 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001003366916 1252876833 /nfs/dbraw/zinc/87/68/33/1252876833.db2.gz YYICQZJBIJGJTO-MANSERQUSA-N 2 1 372.513 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001004949869 1253447491 /nfs/dbraw/zinc/44/74/91/1253447491.db2.gz YNSBKBIAOXRDIM-SFFUCWETSA-N 2 1 358.486 0.426 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC001004949869 1253447499 /nfs/dbraw/zinc/44/74/99/1253447499.db2.gz YNSBKBIAOXRDIM-SFFUCWETSA-N 2 1 358.486 0.426 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001004949869 1253447504 /nfs/dbraw/zinc/44/75/04/1253447504.db2.gz YNSBKBIAOXRDIM-SFFUCWETSA-N 2 1 358.486 0.426 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC001004949869 1253447508 /nfs/dbraw/zinc/44/75/08/1253447508.db2.gz YNSBKBIAOXRDIM-SFFUCWETSA-N 2 1 358.486 0.426 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CC=C)CC1 ZINC001520492544 1265924085 /nfs/dbraw/zinc/92/40/85/1265924085.db2.gz ZDGUOXYSSPSURH-GOSISDBHSA-N 2 1 370.501 0.798 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CC=C)CC1 ZINC001520492544 1265924090 /nfs/dbraw/zinc/92/40/90/1265924090.db2.gz ZDGUOXYSSPSURH-GOSISDBHSA-N 2 1 370.501 0.798 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001078228285 1255343275 /nfs/dbraw/zinc/34/32/75/1255343275.db2.gz KTVSLJACRCHKTL-WOJBJXKFSA-N 2 1 366.465 0.565 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001078228285 1255343283 /nfs/dbraw/zinc/34/32/83/1255343283.db2.gz KTVSLJACRCHKTL-WOJBJXKFSA-N 2 1 366.465 0.565 20 30 FCEDMP C=CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H](C)COC ZINC001330465611 1266032805 /nfs/dbraw/zinc/03/28/05/1266032805.db2.gz GSDVIHASEOKNLN-CVEARBPZSA-N 2 1 366.506 0.321 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082457961 1256770718 /nfs/dbraw/zinc/77/07/18/1256770718.db2.gz QJJWIQOWDZBSOO-XWIAVFTESA-N 2 1 360.433 0.964 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082457961 1256770724 /nfs/dbraw/zinc/77/07/24/1256770724.db2.gz QJJWIQOWDZBSOO-XWIAVFTESA-N 2 1 360.433 0.964 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1=O ZINC001084404029 1258084229 /nfs/dbraw/zinc/08/42/29/1258084229.db2.gz OPLVROKLPMMERT-IXDOHACOSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1=O ZINC001084404029 1258084233 /nfs/dbraw/zinc/08/42/33/1258084233.db2.gz OPLVROKLPMMERT-IXDOHACOSA-N 2 1 360.502 0.790 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]32)CC1 ZINC001084850936 1258400381 /nfs/dbraw/zinc/40/03/81/1258400381.db2.gz DXVUFKHQGWSMHH-RTBURBONSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]32)CC1 ZINC001084850936 1258400382 /nfs/dbraw/zinc/40/03/82/1258400382.db2.gz DXVUFKHQGWSMHH-RTBURBONSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H]4CCNC4=O)CC[C@@H]3C2)CC1 ZINC001088212290 1258734212 /nfs/dbraw/zinc/73/42/12/1258734212.db2.gz ZYXLIZQETPMBOQ-FGTMMUONSA-N 2 1 358.486 0.000 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3([NH+](C)C)CCC3)CCC[C@@H]12 ZINC001107436925 1259088672 /nfs/dbraw/zinc/08/86/72/1259088672.db2.gz XZNNLAUXOZNKGK-VQIMIIECSA-N 2 1 360.502 0.581 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546705 1259112035 /nfs/dbraw/zinc/11/20/35/1259112035.db2.gz MFXJBSBGSKCZEU-MBOZVWFJSA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546705 1259112049 /nfs/dbraw/zinc/11/20/49/1259112049.db2.gz MFXJBSBGSKCZEU-MBOZVWFJSA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546705 1259112051 /nfs/dbraw/zinc/11/20/51/1259112051.db2.gz MFXJBSBGSKCZEU-MBOZVWFJSA-N 2 1 362.518 0.991 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546495 1259112745 /nfs/dbraw/zinc/11/27/45/1259112745.db2.gz FHGFVBNFKKLYKP-MBOZVWFJSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546495 1259112749 /nfs/dbraw/zinc/11/27/49/1259112749.db2.gz FHGFVBNFKKLYKP-MBOZVWFJSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@H]3C)CCC[C@@H]12 ZINC001107546495 1259112754 /nfs/dbraw/zinc/11/27/54/1259112754.db2.gz FHGFVBNFKKLYKP-MBOZVWFJSA-N 2 1 360.502 0.581 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107580299 1259125023 /nfs/dbraw/zinc/12/50/23/1259125023.db2.gz ZJLLHZTVUWDBNQ-UYAOXDASSA-N 2 1 363.502 0.719 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)CC[NH+]3CCOCC3)CCC[C@@H]12 ZINC001107580299 1259125029 /nfs/dbraw/zinc/12/50/29/1259125029.db2.gz ZJLLHZTVUWDBNQ-UYAOXDASSA-N 2 1 363.502 0.719 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049512 1259298915 /nfs/dbraw/zinc/29/89/15/1259298915.db2.gz ZIYIOMPZNSRCCF-CVEARBPZSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](n2ccnn2)C1 ZINC001129049512 1259298922 /nfs/dbraw/zinc/29/89/22/1259298922.db2.gz ZIYIOMPZNSRCCF-CVEARBPZSA-N 2 1 362.478 0.307 20 30 FCEDMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001331956595 1266310288 /nfs/dbraw/zinc/31/02/88/1266310288.db2.gz AXIRMIAEVWAWIB-HNNXBMFYSA-N 2 1 357.458 0.446 20 30 FCEDMP C[C@H]([NH3+])CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001331956595 1266310300 /nfs/dbraw/zinc/31/03/00/1266310300.db2.gz AXIRMIAEVWAWIB-HNNXBMFYSA-N 2 1 357.458 0.446 20 30 FCEDMP CC(=O)N1CC[C@H](C[NH+](C)CC#CC[N@H+](C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC001261786535 1260189029 /nfs/dbraw/zinc/18/90/29/1260189029.db2.gz JOFBAKKAUDKZAR-WOJBJXKFSA-N 2 1 362.518 0.590 20 30 FCEDMP C#CCC[NH+]1CCC([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC001336779958 1260221352 /nfs/dbraw/zinc/22/13/52/1260221352.db2.gz MILLIKSIMVWPSY-MRXNPFEDSA-N 2 1 355.438 0.721 20 30 FCEDMP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@H]2CN(C)CCO2)cc1C#N ZINC001273217892 1260627910 /nfs/dbraw/zinc/62/79/10/1260627910.db2.gz NYUCGLBYLUPTAI-OKZBNKHCSA-N 2 1 357.458 0.403 20 30 FCEDMP N#CCC1CN(C(=O)[C@@H]2CCn3nccc3C[N@H+]2CC2CC[NH2+]CC2)C1 ZINC001280135578 1261013113 /nfs/dbraw/zinc/01/31/13/1261013113.db2.gz NXTKXBLQWICWRP-SFHVURJKSA-N 2 1 356.474 0.829 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001574604465 1271409933 /nfs/dbraw/zinc/40/99/33/1271409933.db2.gz QKYSKJFMWVEWBZ-INIZCTEOSA-N 2 1 351.495 0.183 20 30 FCEDMP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001574867373 1271620247 /nfs/dbraw/zinc/62/02/47/1271620247.db2.gz QFZYNZOAZWDPFW-APWZRJJASA-N 2 1 360.506 0.968 20 30 FCEDMP C[C@@H]1CCC[N@@H+](CCn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001576710235 1273579808 /nfs/dbraw/zinc/57/98/08/1273579808.db2.gz YZVOHLPENDSFNV-WCXIOVBPSA-N 2 1 373.505 0.943 20 30 FCEDMP COCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([NH3+])C1 ZINC001579021043 1276599094 /nfs/dbraw/zinc/59/90/94/1276599094.db2.gz KMBWIYFBXFQYTP-QGZVFWFLSA-N 2 1 369.473 0.932 20 30 FCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001690811390 1294884740 /nfs/dbraw/zinc/88/47/40/1294884740.db2.gz QIPKXYUVYKCTIV-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001690811390 1294884745 /nfs/dbraw/zinc/88/47/45/1294884745.db2.gz QIPKXYUVYKCTIV-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001690811390 1294884747 /nfs/dbraw/zinc/88/47/47/1294884747.db2.gz QIPKXYUVYKCTIV-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001690811390 1294884749 /nfs/dbraw/zinc/88/47/49/1294884749.db2.gz QIPKXYUVYKCTIV-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001071046597 837717579 /nfs/dbraw/zinc/71/75/79/837717579.db2.gz KBOOPAGQFBKGQP-KURKYZTESA-N 2 1 351.491 0.879 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001071046597 837717581 /nfs/dbraw/zinc/71/75/81/837717581.db2.gz KBOOPAGQFBKGQP-KURKYZTESA-N 2 1 351.491 0.879 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)[C@H](C)C1 ZINC001102356441 844473624 /nfs/dbraw/zinc/47/36/24/844473624.db2.gz KIXYPQZKSSAMBW-ZACQAIPSSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]2O)CC1 ZINC001084090051 841697904 /nfs/dbraw/zinc/69/79/04/841697904.db2.gz HTGSTZPVXTWQDY-CVEARBPZSA-N 2 1 355.429 0.538 20 30 FCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944322 842775975 /nfs/dbraw/zinc/77/59/75/842775975.db2.gz BQLTWSZRGQLHET-BRWVUGGUSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944322 842775984 /nfs/dbraw/zinc/77/59/84/842775984.db2.gz BQLTWSZRGQLHET-BRWVUGGUSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944322 842775991 /nfs/dbraw/zinc/77/59/91/842775991.db2.gz BQLTWSZRGQLHET-BRWVUGGUSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944322 842775999 /nfs/dbraw/zinc/77/59/99/842775999.db2.gz BQLTWSZRGQLHET-BRWVUGGUSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103395567 844750924 /nfs/dbraw/zinc/75/09/24/844750924.db2.gz AKTYPNSABOPBMC-NVXWUHKLSA-N 2 1 350.507 0.705 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001106907245 845285176 /nfs/dbraw/zinc/28/51/76/845285176.db2.gz AWPPNQIZGHWYSR-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154684 846422483 /nfs/dbraw/zinc/42/24/83/846422483.db2.gz XASGNAQPQMWINP-CHWSQXEVSA-N 2 1 364.412 0.609 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[NH+](C)C)n[nH]2)O1 ZINC001130804974 849045846 /nfs/dbraw/zinc/04/58/46/849045846.db2.gz SDADREHQQONWJJ-UONOGXRCSA-N 2 1 350.467 0.758 20 30 FCEDMP C=CCOCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881191 849649207 /nfs/dbraw/zinc/64/92/07/849649207.db2.gz HKZPBGZNMSAUOS-BRWVUGGUSA-N 2 1 355.479 0.115 20 30 FCEDMP C=CCOCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881191 849649212 /nfs/dbraw/zinc/64/92/12/849649212.db2.gz HKZPBGZNMSAUOS-BRWVUGGUSA-N 2 1 355.479 0.115 20 30 FCEDMP C=CCOCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881191 849649215 /nfs/dbraw/zinc/64/92/15/849649215.db2.gz HKZPBGZNMSAUOS-BRWVUGGUSA-N 2 1 355.479 0.115 20 30 FCEDMP C=CCOCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881191 849649217 /nfs/dbraw/zinc/64/92/17/849649217.db2.gz HKZPBGZNMSAUOS-BRWVUGGUSA-N 2 1 355.479 0.115 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862205 850209132 /nfs/dbraw/zinc/20/91/32/850209132.db2.gz GUATWNCENJWDDU-HZPDHXFCSA-N 2 1 354.495 0.226 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862205 850209147 /nfs/dbraw/zinc/20/91/47/850209147.db2.gz GUATWNCENJWDDU-HZPDHXFCSA-N 2 1 354.495 0.226 20 30 FCEDMP C=CCN(CC[N@@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C)C(=O)OCC ZINC001278203290 862252715 /nfs/dbraw/zinc/25/27/15/862252715.db2.gz XWNCOUKTSZZILX-CALCHBBNSA-N 2 1 354.495 0.578 20 30 FCEDMP C=CCN(CC[N@H+]1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C)C(=O)OCC ZINC001278203290 862252731 /nfs/dbraw/zinc/25/27/31/862252731.db2.gz XWNCOUKTSZZILX-CALCHBBNSA-N 2 1 354.495 0.578 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCOC)C[C@H]2O)CC1 ZINC001199030264 853357213 /nfs/dbraw/zinc/35/72/13/853357213.db2.gz SFLWFKFFZHGJDH-QZTJIDSGSA-N 2 1 351.491 0.310 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705612 853843398 /nfs/dbraw/zinc/84/33/98/853843398.db2.gz FCSGKEXVUYYUME-IAGOWNOFSA-N 2 1 351.491 0.431 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705612 853843403 /nfs/dbraw/zinc/84/34/03/853843403.db2.gz FCSGKEXVUYYUME-IAGOWNOFSA-N 2 1 351.491 0.431 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585242 854039242 /nfs/dbraw/zinc/03/92/42/854039242.db2.gz ISLLTIBPBIWBRI-NUJGCVRESA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585242 854039249 /nfs/dbraw/zinc/03/92/49/854039249.db2.gz ISLLTIBPBIWBRI-NUJGCVRESA-N 2 1 350.507 0.539 20 30 FCEDMP COC(=O)c1nc(C(C)(C)[NH3+])[nH]c(=O)c1O[C@H](CC#N)C[N+](C)(C)C ZINC001218290350 855412306 /nfs/dbraw/zinc/41/23/06/855412306.db2.gz BAXJKFYOMORHQC-SNVBAGLBSA-O 2 1 352.415 0.530 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229141641 857253353 /nfs/dbraw/zinc/25/33/53/857253353.db2.gz GKDILXVJUSPLQN-HZPDHXFCSA-N 2 1 352.479 0.028 20 30 FCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+]C1CCN(CC(=O)OCC)CC1 ZINC001246304327 857573705 /nfs/dbraw/zinc/57/37/05/857573705.db2.gz CGOLKHLWTWPHQN-INIZCTEOSA-N 2 1 355.479 0.830 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCCC2=O)cc1 ZINC000104158124 229161487 /nfs/dbraw/zinc/16/14/87/229161487.db2.gz QIWXPJDIHWICPK-UHFFFAOYSA-N 2 1 359.474 0.940 20 30 FCEDMP CS(=O)(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000104161926 229161700 /nfs/dbraw/zinc/16/17/00/229161700.db2.gz UCJUCOMJKQSEAJ-UHFFFAOYSA-N 2 1 354.476 0.217 20 30 FCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(NCC(=O)N(C)C)=[NH+]C1CCOCC1 ZINC000262303179 229301504 /nfs/dbraw/zinc/30/15/04/229301504.db2.gz ODYFROAWWDAFNN-CZUORRHYSA-N 2 1 351.495 0.272 20 30 FCEDMP CC[NH+]1CCC(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000328804243 488939918 /nfs/dbraw/zinc/93/99/18/488939918.db2.gz HGLZUOQXHIGHEO-UHFFFAOYSA-N 2 1 365.522 0.871 20 30 FCEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(c2cccs2)CC1 ZINC000261845706 488537843 /nfs/dbraw/zinc/53/78/43/488537843.db2.gz XFGCXONUMMEQAG-HNNXBMFYSA-N 2 1 350.536 0.691 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)NCCC)CC2)CC1 ZINC000171713072 488826393 /nfs/dbraw/zinc/82/63/93/488826393.db2.gz JUWDWSXRSGIFIO-UHFFFAOYSA-N 2 1 365.522 0.927 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)[C@@H](C)C1 ZINC000329233214 488983738 /nfs/dbraw/zinc/98/37/38/488983738.db2.gz GRUWOMQRZKBGPP-IRXDYDNUSA-N 2 1 368.522 0.932 20 30 FCEDMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000329288213 488989782 /nfs/dbraw/zinc/98/97/82/488989782.db2.gz MQXUABKRNDAOJV-MRXNPFEDSA-N 2 1 351.495 0.625 20 30 FCEDMP C=CCN1CC[C@@H]([NH+](C)C/C=C/C[N@H+](C)[C@@H]2CCN(CC=C)C2=O)C1=O ZINC000281179871 489058968 /nfs/dbraw/zinc/05/89/68/489058968.db2.gz ATKKZGPICQLZBG-HNGSOEQISA-N 2 1 360.502 0.980 20 30 FCEDMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330174863 489076429 /nfs/dbraw/zinc/07/64/29/489076429.db2.gz IPPHPEMNKCKQLG-CVEARBPZSA-N 2 1 356.536 0.917 20 30 FCEDMP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000331103936 489173753 /nfs/dbraw/zinc/17/37/53/489173753.db2.gz FFQRHHZKFQLXCQ-HNNXBMFYSA-N 2 1 353.511 0.727 20 30 FCEDMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000331103936 489173757 /nfs/dbraw/zinc/17/37/57/489173757.db2.gz FFQRHHZKFQLXCQ-HNNXBMFYSA-N 2 1 353.511 0.727 20 30 FCEDMP NC(=O)CC[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000429688191 489696548 /nfs/dbraw/zinc/69/65/48/489696548.db2.gz WGJYMMWBUCZOFR-ROUUACIJSA-N 2 1 362.518 0.945 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000509343179 490417376 /nfs/dbraw/zinc/41/73/76/490417376.db2.gz JFKGHORHCSAWLI-CVEARBPZSA-N 2 1 359.540 0.813 20 30 FCEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000564848378 491331421 /nfs/dbraw/zinc/33/14/21/491331421.db2.gz VSQBYIIBDZXWIJ-IAGOWNOFSA-N 2 1 360.458 0.475 20 30 FCEDMP N#Cc1ccc(OC[C@@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000564848379 491331501 /nfs/dbraw/zinc/33/15/01/491331501.db2.gz VSQBYIIBDZXWIJ-IRXDYDNUSA-N 2 1 360.458 0.475 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000423034278 490526027 /nfs/dbraw/zinc/52/60/27/490526027.db2.gz HPGXQPOWZTXRON-KRWDZBQOSA-N 2 1 355.442 0.152 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000423034278 490526031 /nfs/dbraw/zinc/52/60/31/490526031.db2.gz HPGXQPOWZTXRON-KRWDZBQOSA-N 2 1 355.442 0.152 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000559441475 491473439 /nfs/dbraw/zinc/47/34/39/491473439.db2.gz MDVAXTHZLNDDTH-QGZVFWFLSA-N 2 1 366.506 0.226 20 30 FCEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000569474863 491664700 /nfs/dbraw/zinc/66/47/00/491664700.db2.gz TYYBLHGDIGNDHD-IEBWSBKVSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000569474863 491664701 /nfs/dbraw/zinc/66/47/01/491664701.db2.gz TYYBLHGDIGNDHD-IEBWSBKVSA-N 2 1 374.485 0.830 20 30 FCEDMP C(#CC[N@H+]1CCC[C@@H](n2ccnn2)C1)CN1CCC[C@@H](n2ccnn2)C1 ZINC000582901893 491831294 /nfs/dbraw/zinc/83/12/94/491831294.db2.gz RKGPITYTEZALAY-QZTJIDSGSA-N 2 1 354.462 0.847 20 30 FCEDMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000595280428 491912128 /nfs/dbraw/zinc/91/21/28/491912128.db2.gz BQBMRXKKXGOYNX-HNNXBMFYSA-N 2 1 357.458 0.317 20 30 FCEDMP C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000595280428 491912129 /nfs/dbraw/zinc/91/21/29/491912129.db2.gz BQBMRXKKXGOYNX-HNNXBMFYSA-N 2 1 357.458 0.317 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000601581146 491936120 /nfs/dbraw/zinc/93/61/20/491936120.db2.gz ORPVFHMHNCHGAC-ROUUACIJSA-N 2 1 367.453 0.165 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000601581146 491936123 /nfs/dbraw/zinc/93/61/23/491936123.db2.gz ORPVFHMHNCHGAC-ROUUACIJSA-N 2 1 367.453 0.165 20 30 FCEDMP C[NH+]=C(NCCC[N@H+]1CCc2ccccc2C1)NCCN1CCOCC1 ZINC000264990626 526355051 /nfs/dbraw/zinc/35/50/51/526355051.db2.gz PVPBSWBGWWIWEV-UHFFFAOYSA-N 2 1 359.518 0.932 20 30 FCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261950188 526357155 /nfs/dbraw/zinc/35/71/55/526357155.db2.gz HDMCUTITTTUIHS-QGZVFWFLSA-N 2 1 360.506 0.748 20 30 FCEDMP C[NH+]=C(NCCN1CCOCC1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179089910 526358279 /nfs/dbraw/zinc/35/82/79/526358279.db2.gz AUJNNNFLJOMEGJ-KRWDZBQOSA-N 2 1 367.538 0.327 20 30 FCEDMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262604537 526375195 /nfs/dbraw/zinc/37/51/95/526375195.db2.gz ZMNOVUAKZRUAAW-HOCLYGCPSA-N 2 1 351.495 0.368 20 30 FCEDMP C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262781150 526379888 /nfs/dbraw/zinc/37/98/88/526379888.db2.gz LLPBIOKGTWZREV-MAUKXSAKSA-N 2 1 367.563 0.596 20 30 FCEDMP C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262781150 526379892 /nfs/dbraw/zinc/37/98/92/526379892.db2.gz LLPBIOKGTWZREV-MAUKXSAKSA-N 2 1 367.563 0.596 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1CCN(C(C)=O)CC1 ZINC000263280053 528812019 /nfs/dbraw/zinc/81/20/19/528812019.db2.gz ZVSSCGYZFWWPSZ-QGZVFWFLSA-N 2 1 353.511 0.473 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(N2CCOCC2)CCSC1 ZINC000104178628 529073284 /nfs/dbraw/zinc/07/32/84/529073284.db2.gz KGTMVRZBDVUDKN-NVXWUHKLSA-N 2 1 355.552 0.583 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)NCc1ccccc1 ZINC000264133518 529100508 /nfs/dbraw/zinc/10/05/08/529100508.db2.gz YWLVIXSPDOVLMG-INIZCTEOSA-N 2 1 367.519 0.495 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000303986893 674574153 /nfs/dbraw/zinc/57/41/53/674574153.db2.gz UXHIOTPKWSJKGA-JKSUJKDBSA-N 3 1 352.527 0.318 20 30 FCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303986893 674574155 /nfs/dbraw/zinc/57/41/55/674574155.db2.gz UXHIOTPKWSJKGA-JKSUJKDBSA-N 3 1 352.527 0.318 20 30 FCEDMP CC[NH+]1CCC[C@H]1CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303986893 674574157 /nfs/dbraw/zinc/57/41/57/674574157.db2.gz UXHIOTPKWSJKGA-JKSUJKDBSA-N 3 1 352.527 0.318 20 30 FCEDMP C(CNN=C1CC[NH+](CCN2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000799488824 669301529 /nfs/dbraw/zinc/30/15/29/669301529.db2.gz JVUNEJPNFFBRJE-UHFFFAOYSA-N 2 1 353.511 0.082 20 30 FCEDMP N#Cc1cccc(C[NH+]2CCC(NS(=O)(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000923652332 672976184 /nfs/dbraw/zinc/97/61/84/672976184.db2.gz MGOZHZHNRDKNNK-UHFFFAOYSA-N 2 1 363.487 0.262 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691278626 1171022823 /nfs/dbraw/zinc/02/28/23/1171022823.db2.gz KKOOQEOCUSOVRT-RCCFBDPRSA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691278626 1171022827 /nfs/dbraw/zinc/02/28/27/1171022827.db2.gz KKOOQEOCUSOVRT-RCCFBDPRSA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939715 1181545444 /nfs/dbraw/zinc/54/54/44/1181545444.db2.gz OORFHXWSJMEBLK-GJYPPUQNSA-N 2 1 366.506 0.226 20 30 FCEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104683609 1182366718 /nfs/dbraw/zinc/36/67/18/1182366718.db2.gz NKDPLJCWCOXMKP-HZPDHXFCSA-N 2 1 363.506 0.432 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000981893204 1186561987 /nfs/dbraw/zinc/56/19/87/1186561987.db2.gz BXRWHBUQNBVNGU-MLHJIOFPSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000981893204 1186561992 /nfs/dbraw/zinc/56/19/92/1186561992.db2.gz BXRWHBUQNBVNGU-MLHJIOFPSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000981893204 1186561998 /nfs/dbraw/zinc/56/19/98/1186561998.db2.gz BXRWHBUQNBVNGU-MLHJIOFPSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000981893204 1186562003 /nfs/dbraw/zinc/56/20/03/1186562003.db2.gz BXRWHBUQNBVNGU-MLHJIOFPSA-N 2 1 360.502 0.579 20 30 FCEDMP CN(CC(=O)N1CCC2(C[NH+](Cc3cc(C#N)n(C)c3)C2)CC1)C(N)=[NH2+] ZINC001269992720 1187962292 /nfs/dbraw/zinc/96/22/92/1187962292.db2.gz WGDRINUCIHHDQY-UHFFFAOYSA-N 2 1 357.462 0.146 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@@H]1CC ZINC000985049155 1190478211 /nfs/dbraw/zinc/47/82/11/1190478211.db2.gz VLQRIZZLSZYJIG-XWTMOSNGSA-N 2 1 360.502 0.674 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)CCn4ccnc4)[C@@H]3C2)C1=O ZINC001076107206 1194309292 /nfs/dbraw/zinc/30/92/92/1194309292.db2.gz MCPOHKJJYHGAKZ-YESZJQIVSA-N 2 1 357.458 0.593 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccnn4C)C[C@H]32)CC1 ZINC001076604528 1194592502 /nfs/dbraw/zinc/59/25/02/1194592502.db2.gz KJFXGGWXQSZFOL-PKOBYXMFSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4ccnn4C)C[C@H]32)CC1 ZINC001076604528 1194592504 /nfs/dbraw/zinc/59/25/04/1194592504.db2.gz KJFXGGWXQSZFOL-PKOBYXMFSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076604431 1194592564 /nfs/dbraw/zinc/59/25/64/1194592564.db2.gz FHKCSDYEQXQPDN-RCCFBDPRSA-N 2 1 358.486 0.143 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCn4cccn4)C[C@H]32)CC1 ZINC001076605473 1194593660 /nfs/dbraw/zinc/59/36/60/1194593660.db2.gz BSTHPWXPQNAPTN-RBUKOAKNSA-N 2 1 355.486 0.761 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538904 1200370829 /nfs/dbraw/zinc/37/08/29/1200370829.db2.gz YRUQKPTWTYOOTM-OWEAFNKSSA-N 2 1 361.486 0.774 20 30 FCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538904 1200370839 /nfs/dbraw/zinc/37/08/39/1200370839.db2.gz YRUQKPTWTYOOTM-OWEAFNKSSA-N 2 1 361.486 0.774 20 30 FCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538904 1200370845 /nfs/dbraw/zinc/37/08/45/1200370845.db2.gz YRUQKPTWTYOOTM-OWEAFNKSSA-N 2 1 361.486 0.774 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579418 1200818902 /nfs/dbraw/zinc/81/89/02/1200818902.db2.gz MVIYDQMPIPTHJW-SYNHAJSKSA-N 2 1 371.485 0.548 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433871 1201315471 /nfs/dbraw/zinc/31/54/71/1201315471.db2.gz XBBCJDLZZAXWIX-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001129982947 1201462512 /nfs/dbraw/zinc/46/25/12/1201462512.db2.gz KMSOESOWZHPTIQ-JQHSSLGASA-N 2 1 367.457 0.410 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001130220511 1201544025 /nfs/dbraw/zinc/54/40/25/1201544025.db2.gz AVSFGWOBQBKSMH-GJZGRUSLSA-N 2 1 360.462 0.001 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001130220511 1201544027 /nfs/dbraw/zinc/54/40/27/1201544027.db2.gz AVSFGWOBQBKSMH-GJZGRUSLSA-N 2 1 360.462 0.001 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001130220511 1201544032 /nfs/dbraw/zinc/54/40/32/1201544032.db2.gz AVSFGWOBQBKSMH-GJZGRUSLSA-N 2 1 360.462 0.001 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130216468 1201548046 /nfs/dbraw/zinc/54/80/46/1201548046.db2.gz YBBMNYJULODITC-DZKIICNBSA-N 2 1 362.478 0.102 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](O)C1 ZINC001220061150 1224741529 /nfs/dbraw/zinc/74/15/29/1224741529.db2.gz AREXDITYEZEEBN-MOPGFXCFSA-N 2 1 361.486 0.768 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)CCC)n2)O1 ZINC001130816044 1202806535 /nfs/dbraw/zinc/80/65/35/1202806535.db2.gz KPUYZGVIVUZGFJ-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817574 1202808790 /nfs/dbraw/zinc/80/87/90/1202808790.db2.gz TWSUGLQCHMWLDM-SOUVJXGZSA-N 2 1 362.478 0.758 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817574 1202808793 /nfs/dbraw/zinc/80/87/93/1202808793.db2.gz TWSUGLQCHMWLDM-SOUVJXGZSA-N 2 1 362.478 0.758 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817574 1202808796 /nfs/dbraw/zinc/80/87/96/1202808796.db2.gz TWSUGLQCHMWLDM-SOUVJXGZSA-N 2 1 362.478 0.758 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130943757 1202826956 /nfs/dbraw/zinc/82/69/56/1202826956.db2.gz HWHNCPBHVJJCSU-BRWVUGGUSA-N 2 1 361.490 0.601 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001131089776 1202860872 /nfs/dbraw/zinc/86/08/72/1202860872.db2.gz ZHZXDLQCZYPKHS-IAGOWNOFSA-N 2 1 359.474 0.050 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131318713 1202886516 /nfs/dbraw/zinc/88/65/16/1202886516.db2.gz MKVZWQBRSBDLOJ-ZACQAIPSSA-N 2 1 362.474 0.456 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131318713 1202886517 /nfs/dbraw/zinc/88/65/17/1202886517.db2.gz MKVZWQBRSBDLOJ-ZACQAIPSSA-N 2 1 362.474 0.456 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318713 1202886519 /nfs/dbraw/zinc/88/65/19/1202886519.db2.gz MKVZWQBRSBDLOJ-ZACQAIPSSA-N 2 1 362.474 0.456 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318713 1202886521 /nfs/dbraw/zinc/88/65/21/1202886521.db2.gz MKVZWQBRSBDLOJ-ZACQAIPSSA-N 2 1 362.474 0.456 20 30 FCEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001131606911 1202918480 /nfs/dbraw/zinc/91/84/80/1202918480.db2.gz MJPNTRNRTRLVKL-QYZOEREBSA-N 2 1 363.502 0.716 20 30 FCEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001131606911 1202918483 /nfs/dbraw/zinc/91/84/83/1202918483.db2.gz MJPNTRNRTRLVKL-QYZOEREBSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001131609019 1202920766 /nfs/dbraw/zinc/92/07/66/1202920766.db2.gz VRDHYWZXTFBFRR-QUCCMNQESA-N 2 1 365.518 0.962 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126147 1203015774 /nfs/dbraw/zinc/01/57/74/1203015774.db2.gz AZEGNEZUSVHFRI-NXHRZFHOSA-N 2 1 356.470 0.176 20 30 FCEDMP C=C(C)C(=O)OCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220124601 1224778091 /nfs/dbraw/zinc/77/80/91/1224778091.db2.gz DMOHWMZRLZMNSK-KRWDZBQOSA-N 2 1 357.454 0.944 20 30 FCEDMP C=C(C)C(=O)OCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220124601 1224778099 /nfs/dbraw/zinc/77/80/99/1224778099.db2.gz DMOHWMZRLZMNSK-KRWDZBQOSA-N 2 1 357.454 0.944 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086982531 1204878015 /nfs/dbraw/zinc/87/80/15/1204878015.db2.gz OJPWRQSQFOODBP-GVDBMIGSSA-N 2 1 352.442 0.711 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001087010229 1204897860 /nfs/dbraw/zinc/89/78/60/1204897860.db2.gz RHMUXDUJYWBYSK-KSZLIROESA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001087010229 1204897862 /nfs/dbraw/zinc/89/78/62/1204897862.db2.gz RHMUXDUJYWBYSK-KSZLIROESA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092374823 1205277284 /nfs/dbraw/zinc/27/72/84/1205277284.db2.gz GPPQFLXFLGQPKH-BZUAXINKSA-N 2 1 359.474 0.750 20 30 FCEDMP C=CCC[NH+]1CC2(C1)C[C@@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)c1nccn12 ZINC001092374823 1205277288 /nfs/dbraw/zinc/27/72/88/1205277288.db2.gz GPPQFLXFLGQPKH-BZUAXINKSA-N 2 1 359.474 0.750 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001092689653 1205347747 /nfs/dbraw/zinc/34/77/47/1205347747.db2.gz PHCDSGCXSNILSH-QRQLOZEOSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@H]1C ZINC001092689653 1205347751 /nfs/dbraw/zinc/34/77/51/1205347751.db2.gz PHCDSGCXSNILSH-QRQLOZEOSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1C ZINC001092689653 1205347755 /nfs/dbraw/zinc/34/77/55/1205347755.db2.gz PHCDSGCXSNILSH-QRQLOZEOSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1C ZINC001092689653 1205347757 /nfs/dbraw/zinc/34/77/57/1205347757.db2.gz PHCDSGCXSNILSH-QRQLOZEOSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093469431 1206085371 /nfs/dbraw/zinc/08/53/71/1206085371.db2.gz FTABWHXBMDEWQH-LFGUQSLTSA-N 2 1 363.502 0.308 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110151142 1206151864 /nfs/dbraw/zinc/15/18/64/1206151864.db2.gz RJPKWVSYSHCRAT-BDXSIMOUSA-N 2 1 360.502 0.722 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110151142 1206151870 /nfs/dbraw/zinc/15/18/70/1206151870.db2.gz RJPKWVSYSHCRAT-BDXSIMOUSA-N 2 1 360.502 0.722 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)N(CC)CCC#N)C2)CC[N@H+]1C ZINC001182692096 1206442313 /nfs/dbraw/zinc/44/23/13/1206442313.db2.gz BTZOXGHASPSSJI-IXDOHACOSA-N 2 1 363.506 0.669 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410167 1206496913 /nfs/dbraw/zinc/49/69/13/1206496913.db2.gz OUAJAZYVHRFUHI-KZNAEPCWSA-N 2 1 363.502 0.574 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410167 1206496915 /nfs/dbraw/zinc/49/69/15/1206496915.db2.gz OUAJAZYVHRFUHI-KZNAEPCWSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205810 1207434618 /nfs/dbraw/zinc/43/46/18/1207434618.db2.gz YOPUCCUSUBKUII-RCCFBDPRSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205810 1207434619 /nfs/dbraw/zinc/43/46/19/1207434619.db2.gz YOPUCCUSUBKUII-RCCFBDPRSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205810 1207434621 /nfs/dbraw/zinc/43/46/21/1207434621.db2.gz YOPUCCUSUBKUII-RCCFBDPRSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205810 1207434622 /nfs/dbraw/zinc/43/46/22/1207434622.db2.gz YOPUCCUSUBKUII-RCCFBDPRSA-N 2 1 360.502 0.531 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001188918894 1207486703 /nfs/dbraw/zinc/48/67/03/1207486703.db2.gz QQBFAHMABYMODI-OKZBNKHCSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001188918894 1207486706 /nfs/dbraw/zinc/48/67/06/1207486706.db2.gz QQBFAHMABYMODI-OKZBNKHCSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188918894 1207486710 /nfs/dbraw/zinc/48/67/10/1207486710.db2.gz QQBFAHMABYMODI-OKZBNKHCSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188918894 1207486714 /nfs/dbraw/zinc/48/67/14/1207486714.db2.gz QQBFAHMABYMODI-OKZBNKHCSA-N 2 1 362.518 0.943 20 30 FCEDMP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481268 1207686538 /nfs/dbraw/zinc/68/65/38/1207686538.db2.gz RYIBAPPUPIZXPN-DLBZAZTESA-N 2 1 361.490 0.425 20 30 FCEDMP N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481268 1207686543 /nfs/dbraw/zinc/68/65/43/1207686543.db2.gz RYIBAPPUPIZXPN-DLBZAZTESA-N 2 1 361.490 0.425 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110740905 1209777837 /nfs/dbraw/zinc/77/78/37/1209777837.db2.gz IYUGOWSTYZQDFD-KURKYZTESA-N 2 1 371.485 0.932 20 30 FCEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001110740905 1209777841 /nfs/dbraw/zinc/77/78/41/1209777841.db2.gz IYUGOWSTYZQDFD-KURKYZTESA-N 2 1 371.485 0.932 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CC[C@H]([N@H+](C)[C@H](C)C(=O)NCC#C)CC1 ZINC000886393854 1210828884 /nfs/dbraw/zinc/82/88/84/1210828884.db2.gz FYLPWCULDRNLKP-BRSBDYLESA-N 2 1 360.502 0.437 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)Cc1cccc(F)c1 ZINC000104183311 1210938148 /nfs/dbraw/zinc/93/81/48/1210938148.db2.gz SZDXIIPDLKLSAX-UHFFFAOYSA-N 2 1 365.453 0.111 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000890368688 1210975668 /nfs/dbraw/zinc/97/56/68/1210975668.db2.gz LUXNKPQAWNODEK-QYZOEREBSA-N 2 1 361.534 0.751 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000890368688 1210975670 /nfs/dbraw/zinc/97/56/70/1210975670.db2.gz LUXNKPQAWNODEK-QYZOEREBSA-N 2 1 361.534 0.751 20 30 FCEDMP C#CCN1CC[C@]2(CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)s3)C2)C1=O ZINC001275515533 1211253054 /nfs/dbraw/zinc/25/30/54/1211253054.db2.gz NOEMFXZYSTUBHO-IBGZPJMESA-N 2 1 373.526 0.953 20 30 FCEDMP C#CCN1CC[C@]2(CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)s3)C2)C1=O ZINC001275515533 1211253056 /nfs/dbraw/zinc/25/30/56/1211253056.db2.gz NOEMFXZYSTUBHO-IBGZPJMESA-N 2 1 373.526 0.953 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099690 1211880648 /nfs/dbraw/zinc/88/06/48/1211880648.db2.gz SEXVVNQTNRPUTG-DDBAPUKQSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099690 1211880651 /nfs/dbraw/zinc/88/06/51/1211880651.db2.gz SEXVVNQTNRPUTG-DDBAPUKQSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC000949185326 1212316626 /nfs/dbraw/zinc/31/66/26/1212316626.db2.gz ZISLHRAKAGIAFU-KBAYOESNSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000950247905 1212541694 /nfs/dbraw/zinc/54/16/94/1212541694.db2.gz JCHIOVINPDSELP-BPQIPLTHSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000954502154 1213080271 /nfs/dbraw/zinc/08/02/71/1213080271.db2.gz SXABAEBELBYPLS-CRAIPNDOSA-N 2 1 360.502 0.341 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC000958607404 1213420351 /nfs/dbraw/zinc/42/03/51/1213420351.db2.gz CGYNUHQNWXBILG-ZJPYXAASSA-N 2 1 362.518 0.633 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC000958607404 1213420354 /nfs/dbraw/zinc/42/03/54/1213420354.db2.gz CGYNUHQNWXBILG-ZJPYXAASSA-N 2 1 362.518 0.633 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001222656716 1225642426 /nfs/dbraw/zinc/64/24/26/1225642426.db2.gz REYYQLLSNGXDEL-KURKYZTESA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001222656716 1225642428 /nfs/dbraw/zinc/64/24/28/1225642428.db2.gz REYYQLLSNGXDEL-KURKYZTESA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656716 1225642435 /nfs/dbraw/zinc/64/24/35/1225642435.db2.gz REYYQLLSNGXDEL-KURKYZTESA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656716 1225642440 /nfs/dbraw/zinc/64/24/40/1225642440.db2.gz REYYQLLSNGXDEL-KURKYZTESA-N 2 1 360.502 0.531 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C[C@@H]21 ZINC001222693921 1225645343 /nfs/dbraw/zinc/64/53/43/1225645343.db2.gz IHEMZPIZWYFPJX-SQNIBIBYSA-N 2 1 360.502 0.553 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001223247996 1225693738 /nfs/dbraw/zinc/69/37/38/1225693738.db2.gz AIZDDWKTKHLMBZ-BPQIPLTHSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046731 1216922141 /nfs/dbraw/zinc/92/21/41/1216922141.db2.gz LQQBAPABALDWFG-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046731 1216922146 /nfs/dbraw/zinc/92/21/46/1216922146.db2.gz LQQBAPABALDWFG-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046731 1216922151 /nfs/dbraw/zinc/92/21/51/1216922151.db2.gz LQQBAPABALDWFG-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046731 1216922159 /nfs/dbraw/zinc/92/21/59/1216922159.db2.gz LQQBAPABALDWFG-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccnc(C#N)n3)CC2)CC[N@@H+]1C ZINC001096258863 1218195855 /nfs/dbraw/zinc/19/58/55/1218195855.db2.gz JGNXFTQKRSNGJZ-HZPDHXFCSA-N 2 1 371.489 0.317 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccnc(C#N)n3)CC2)CC[N@H+]1C ZINC001096258863 1218195859 /nfs/dbraw/zinc/19/58/59/1218195859.db2.gz JGNXFTQKRSNGJZ-HZPDHXFCSA-N 2 1 371.489 0.317 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001096356406 1218263449 /nfs/dbraw/zinc/26/34/49/1218263449.db2.gz RQOIFNDFVBJPGE-LTIDMASMSA-N 2 1 358.486 0.591 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001096356406 1218263455 /nfs/dbraw/zinc/26/34/55/1218263455.db2.gz RQOIFNDFVBJPGE-LTIDMASMSA-N 2 1 358.486 0.591 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001226853021 1225855634 /nfs/dbraw/zinc/85/56/34/1225855634.db2.gz AKNPQFIPHJTGIY-KURKYZTESA-N 2 1 360.502 0.627 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCNC(=O)C1CC1 ZINC001226853021 1225855636 /nfs/dbraw/zinc/85/56/36/1225855636.db2.gz AKNPQFIPHJTGIY-KURKYZTESA-N 2 1 360.502 0.627 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000804057879 1219110299 /nfs/dbraw/zinc/11/02/99/1219110299.db2.gz CEBOFANYWNMPKC-IAGOWNOFSA-N 2 1 364.490 0.123 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](n2ccnn2)C1 ZINC001070071622 1219136580 /nfs/dbraw/zinc/13/65/80/1219136580.db2.gz CXDPXNMYBMORBO-MOPGFXCFSA-N 2 1 370.501 0.765 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001070102809 1219177808 /nfs/dbraw/zinc/17/78/08/1219177808.db2.gz XKRYQDXPYGVTTE-MSOLQXFVSA-N 2 1 356.474 0.375 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070275549 1219342349 /nfs/dbraw/zinc/34/23/49/1219342349.db2.gz RYVIFIJDZACVRF-UAGQMJEPSA-N 2 1 355.446 0.573 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1n1ccnn1 ZINC001070302599 1219361433 /nfs/dbraw/zinc/36/14/33/1219361433.db2.gz ARHIFHXWPXJFTM-SJORKVTESA-N 2 1 364.413 0.700 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070371886 1219401544 /nfs/dbraw/zinc/40/15/44/1219401544.db2.gz QERFJGTXCHROJX-MYZZLAAOSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[NH+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001070596751 1219481547 /nfs/dbraw/zinc/48/15/47/1219481547.db2.gz XRLZEPIVEGIIAK-LTIDMASMSA-N 2 1 359.474 0.884 20 30 FCEDMP C#CC[N@@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001070596751 1219481549 /nfs/dbraw/zinc/48/15/49/1219481549.db2.gz XRLZEPIVEGIIAK-LTIDMASMSA-N 2 1 359.474 0.884 20 30 FCEDMP C#CC[N@H+]1C[C@@H](OC)C[C@H]1Cn1ccc(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)n1 ZINC001070596751 1219481552 /nfs/dbraw/zinc/48/15/52/1219481552.db2.gz XRLZEPIVEGIIAK-LTIDMASMSA-N 2 1 359.474 0.884 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001228138124 1225896943 /nfs/dbraw/zinc/89/69/43/1225896943.db2.gz OQXGRZSWWVPKNX-RCCFBDPRSA-N 2 1 362.518 0.875 20 30 FCEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605579 1219671980 /nfs/dbraw/zinc/67/19/80/1219671980.db2.gz ODODILCYRVRNCI-OTWHNJEPSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605579 1219671981 /nfs/dbraw/zinc/67/19/81/1219671981.db2.gz ODODILCYRVRNCI-OTWHNJEPSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001098676019 1219809954 /nfs/dbraw/zinc/80/99/54/1219809954.db2.gz JMLHTOLNNBNGSK-FGTMMUONSA-N 2 1 358.490 0.895 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001228602057 1225936250 /nfs/dbraw/zinc/93/62/50/1225936250.db2.gz BDSPWHKMOWSHIG-CGTJXYLNSA-N 2 1 371.485 0.520 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257403 1220250835 /nfs/dbraw/zinc/25/08/35/1220250835.db2.gz SHTOBIDVHGXZHN-GJYPPUQNSA-N 2 1 368.497 0.749 20 30 FCEDMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC1 ZINC001101402392 1220325081 /nfs/dbraw/zinc/32/50/81/1220325081.db2.gz GZPLJXMGHXLKQX-APWZRJJASA-N 2 1 361.490 0.138 20 30 FCEDMP CC1CC[NH+](CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC1 ZINC001101402392 1220325086 /nfs/dbraw/zinc/32/50/86/1220325086.db2.gz GZPLJXMGHXLKQX-APWZRJJASA-N 2 1 361.490 0.138 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101438580 1220345604 /nfs/dbraw/zinc/34/56/04/1220345604.db2.gz HLINUDXCXUDPES-HLIPFELVSA-N 2 1 362.518 0.637 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101438580 1220345607 /nfs/dbraw/zinc/34/56/07/1220345607.db2.gz HLINUDXCXUDPES-HLIPFELVSA-N 2 1 362.518 0.637 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101438580 1220345610 /nfs/dbraw/zinc/34/56/10/1220345610.db2.gz HLINUDXCXUDPES-HLIPFELVSA-N 2 1 362.518 0.637 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045216 1220476198 /nfs/dbraw/zinc/47/61/98/1220476198.db2.gz XGBRCFQTLSWLPO-KURKYZTESA-N 2 1 363.506 0.700 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045216 1220476201 /nfs/dbraw/zinc/47/62/01/1220476201.db2.gz XGBRCFQTLSWLPO-KURKYZTESA-N 2 1 363.506 0.700 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001102078985 1220488857 /nfs/dbraw/zinc/48/88/57/1220488857.db2.gz RHKVFHPJPKKZLB-HZPDHXFCSA-N 2 1 361.490 0.186 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171208 1220532627 /nfs/dbraw/zinc/53/26/27/1220532627.db2.gz LXMIAZIKHLOJGF-QUJXQBBWSA-N 2 1 361.486 0.184 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171208 1220532636 /nfs/dbraw/zinc/53/26/36/1220532636.db2.gz LXMIAZIKHLOJGF-QUJXQBBWSA-N 2 1 361.486 0.184 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171208 1220532641 /nfs/dbraw/zinc/53/26/41/1220532641.db2.gz LXMIAZIKHLOJGF-QUJXQBBWSA-N 2 1 361.486 0.184 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC[N@@H+]1C ZINC001102425137 1220620776 /nfs/dbraw/zinc/62/07/76/1220620776.db2.gz MLKMVIXAIGPPSR-VQIMIIECSA-N 2 1 370.501 0.874 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)CC[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC[N@H+]1C ZINC001102425137 1220620779 /nfs/dbraw/zinc/62/07/79/1220620779.db2.gz MLKMVIXAIGPPSR-VQIMIIECSA-N 2 1 370.501 0.874 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102454430 1220629681 /nfs/dbraw/zinc/62/96/81/1220629681.db2.gz DSMOKTIJOVRNJH-IAGOWNOFSA-N 2 1 361.490 0.392 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488645 1220652089 /nfs/dbraw/zinc/65/20/89/1220652089.db2.gz CGCVTMCRLPFOBO-HZPDHXFCSA-N 2 1 366.506 0.084 20 30 FCEDMP CC[NH+](CC)C[C@@H](F)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103050060 1220824176 /nfs/dbraw/zinc/82/41/76/1220824176.db2.gz QQEQEPKPUXXABQ-BZUAXINKSA-N 2 1 369.485 0.380 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642864 1220925958 /nfs/dbraw/zinc/92/59/58/1220925958.db2.gz ABNSMRUTUQAFAH-BRWVUGGUSA-N 2 1 368.522 0.330 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001111851516 1221135637 /nfs/dbraw/zinc/13/56/37/1221135637.db2.gz CRKWLHDMPLLXQG-FPXQBCRKSA-N 2 1 361.490 0.327 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001111851516 1221135640 /nfs/dbraw/zinc/13/56/40/1221135640.db2.gz CRKWLHDMPLLXQG-FPXQBCRKSA-N 2 1 361.490 0.327 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001111851516 1221135642 /nfs/dbraw/zinc/13/56/42/1221135642.db2.gz CRKWLHDMPLLXQG-FPXQBCRKSA-N 2 1 361.490 0.327 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001111851516 1221135644 /nfs/dbraw/zinc/13/56/44/1221135644.db2.gz CRKWLHDMPLLXQG-FPXQBCRKSA-N 2 1 361.490 0.327 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001111851516 1221135645 /nfs/dbraw/zinc/13/56/45/1221135645.db2.gz CRKWLHDMPLLXQG-FPXQBCRKSA-N 2 1 361.490 0.327 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC)C3)CC1 ZINC001112004345 1221197947 /nfs/dbraw/zinc/19/79/47/1221197947.db2.gz XIHQVTPSTLOAQT-PXNSSMCTSA-N 2 1 360.502 0.438 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001112134884 1221210732 /nfs/dbraw/zinc/21/07/32/1221210732.db2.gz NIYZRECCTJSWCS-QJNCVLDKSA-N 2 1 371.403 0.852 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112429340 1221257805 /nfs/dbraw/zinc/25/78/05/1221257805.db2.gz WTYFPIBWYUZPAX-QKLQHJQFSA-N 2 1 360.502 0.438 20 30 FCEDMP CCC[NH+]=C(NCC1(O)CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001120855491 1222125851 /nfs/dbraw/zinc/12/58/51/1222125851.db2.gz MPKROXCRAHWUNX-QGZVFWFLSA-N 2 1 368.522 0.538 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC000834376896 1222571190 /nfs/dbraw/zinc/57/11/90/1222571190.db2.gz XIZMEKAZBBARBY-XSLAGTTESA-N 2 1 358.486 0.191 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC000834376896 1222571193 /nfs/dbraw/zinc/57/11/93/1222571193.db2.gz XIZMEKAZBBARBY-XSLAGTTESA-N 2 1 358.486 0.191 20 30 FCEDMP N#Cc1nccnc1N1CCN(C(=O)c2ccc([C@H]([NH3+])CN)cc2)CC1 ZINC001160635867 1223167342 /nfs/dbraw/zinc/16/73/42/1223167342.db2.gz FASAMISLTBPOEZ-OAHLLOKOSA-N 2 1 351.414 0.269 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]CC2(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001164582016 1223240356 /nfs/dbraw/zinc/24/03/56/1223240356.db2.gz CCPPIUUEWYWKRZ-BRWVUGGUSA-N 2 1 362.518 0.990 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207538684 1223453535 /nfs/dbraw/zinc/45/35/35/1223453535.db2.gz TVFZWEJAGVAHPI-BHIYHBOVSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001207538684 1223453536 /nfs/dbraw/zinc/45/35/36/1223453536.db2.gz TVFZWEJAGVAHPI-BHIYHBOVSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001207538684 1223453538 /nfs/dbraw/zinc/45/35/38/1223453538.db2.gz TVFZWEJAGVAHPI-BHIYHBOVSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001207538684 1223453539 /nfs/dbraw/zinc/45/35/39/1223453539.db2.gz TVFZWEJAGVAHPI-BHIYHBOVSA-N 2 1 363.502 0.716 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682883 1223471057 /nfs/dbraw/zinc/47/10/57/1223471057.db2.gz YYBVGOKTBNWVBS-IXDOHACOSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682883 1223471061 /nfs/dbraw/zinc/47/10/61/1223471061.db2.gz YYBVGOKTBNWVBS-IXDOHACOSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001208597131 1223561212 /nfs/dbraw/zinc/56/12/12/1223561212.db2.gz JJVLUYQPIYVKGG-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001208597131 1223561218 /nfs/dbraw/zinc/56/12/18/1223561218.db2.gz JJVLUYQPIYVKGG-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001208597131 1223561222 /nfs/dbraw/zinc/56/12/22/1223561222.db2.gz JJVLUYQPIYVKGG-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001208597131 1223561224 /nfs/dbraw/zinc/56/12/24/1223561224.db2.gz JJVLUYQPIYVKGG-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=C(C)CN1C[C@@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276629953 1223607881 /nfs/dbraw/zinc/60/78/81/1223607881.db2.gz HMQDXQWRTIJNDL-FQEVSTJZSA-N 2 1 364.534 0.751 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)N1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210049723 1223663583 /nfs/dbraw/zinc/66/35/83/1223663583.db2.gz DVKCCCODLMMNFD-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210049723 1223663584 /nfs/dbraw/zinc/66/35/84/1223663584.db2.gz DVKCCCODLMMNFD-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210049723 1223663585 /nfs/dbraw/zinc/66/35/85/1223663585.db2.gz DVKCCCODLMMNFD-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210049723 1223663586 /nfs/dbraw/zinc/66/35/86/1223663586.db2.gz DVKCCCODLMMNFD-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210049723 1223663587 /nfs/dbraw/zinc/66/35/87/1223663587.db2.gz DVKCCCODLMMNFD-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094693 1223725294 /nfs/dbraw/zinc/72/52/94/1223725294.db2.gz MELLSZXTQULDSW-FGTMMUONSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001211094693 1223725296 /nfs/dbraw/zinc/72/52/96/1223725296.db2.gz MELLSZXTQULDSW-FGTMMUONSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]2C)CC1 ZINC001211306972 1223733540 /nfs/dbraw/zinc/73/35/40/1223733540.db2.gz KYKNVKZPPKNKAW-NVXWUHKLSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NC(C)(C)C)C[C@H]2C)CC1 ZINC001211306972 1223733543 /nfs/dbraw/zinc/73/35/43/1223733543.db2.gz KYKNVKZPPKNKAW-NVXWUHKLSA-N 2 1 362.518 0.683 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661965 1223930046 /nfs/dbraw/zinc/93/00/46/1223930046.db2.gz MSVYFNJCAQRCGL-QBPKDAKJSA-N 2 1 363.506 0.525 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155818 1223978766 /nfs/dbraw/zinc/97/87/66/1223978766.db2.gz LOSLHNQJEFFSIY-NVXWUHKLSA-N 2 1 359.474 0.829 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993489 1224083074 /nfs/dbraw/zinc/08/30/74/1224083074.db2.gz HZAZKCVJGDASEV-ZHALLVOQSA-N 2 1 370.497 0.693 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993489 1224083077 /nfs/dbraw/zinc/08/30/77/1224083077.db2.gz HZAZKCVJGDASEV-ZHALLVOQSA-N 2 1 370.497 0.693 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC1 ZINC000996548311 1251380524 /nfs/dbraw/zinc/38/05/24/1251380524.db2.gz LRTFSDQRLVQFDH-RDGPPVDQSA-N 2 1 372.513 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H]3CC(C)(C)CO3)C[C@H]2O)CC1 ZINC001078227265 1255339719 /nfs/dbraw/zinc/33/97/19/1255339719.db2.gz RLDBBVGCRIWYIQ-KZNAEPCWSA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]2C)CC1 ZINC001080997395 1256131617 /nfs/dbraw/zinc/13/16/17/1256131617.db2.gz BOALBZXSEHXZSE-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2OC)CC1 ZINC001082383015 1256733694 /nfs/dbraw/zinc/73/36/94/1256733694.db2.gz FDBTWEXJHXDQEG-QZTJIDSGSA-N 2 1 359.474 0.044 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cn(CC)nn3)C2)CC1 ZINC001082941062 1257159866 /nfs/dbraw/zinc/15/98/66/1257159866.db2.gz MQNBIFOIFGLQEA-CRAIPNDOSA-N 2 1 358.490 0.580 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC001084850898 1258400352 /nfs/dbraw/zinc/40/03/52/1258400352.db2.gz BSLUROQGKSJGMP-CGTJXYLNSA-N 2 1 360.502 0.341 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC001084850898 1258400356 /nfs/dbraw/zinc/40/03/56/1258400356.db2.gz BSLUROQGKSJGMP-CGTJXYLNSA-N 2 1 360.502 0.341 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088202334 1258724682 /nfs/dbraw/zinc/72/46/82/1258724682.db2.gz WESTWUCECDGXEF-FGTMMUONSA-N 2 1 371.485 0.759 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088202334 1258724687 /nfs/dbraw/zinc/72/46/87/1258724687.db2.gz WESTWUCECDGXEF-FGTMMUONSA-N 2 1 371.485 0.759 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591306 1258927363 /nfs/dbraw/zinc/92/73/63/1258927363.db2.gz WRKAVNKUWSDZMP-DJIMGWMZSA-N 2 1 371.485 0.187 20 30 FCEDMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106716141 1258945810 /nfs/dbraw/zinc/94/58/10/1258945810.db2.gz XGIZESSIVFMMSO-HUUCEWRRSA-N 2 1 360.462 0.330 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107521100 1259107560 /nfs/dbraw/zinc/10/75/60/1259107560.db2.gz METKJXFVZLYABU-VQIMIIECSA-N 2 1 360.502 0.438 20 30 FCEDMP CCC[N@@H+](C)CCC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107615533 1259133363 /nfs/dbraw/zinc/13/33/63/1259133363.db2.gz GCIFRBRTPJQZLF-VQIMIIECSA-N 2 1 363.506 0.719 20 30 FCEDMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107615533 1259133366 /nfs/dbraw/zinc/13/33/66/1259133366.db2.gz GCIFRBRTPJQZLF-VQIMIIECSA-N 2 1 363.506 0.719 20 30 FCEDMP CCC[NH+](C)CCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107615533 1259133374 /nfs/dbraw/zinc/13/33/74/1259133374.db2.gz GCIFRBRTPJQZLF-VQIMIIECSA-N 2 1 363.506 0.719 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215535962 1259534998 /nfs/dbraw/zinc/53/49/98/1259534998.db2.gz APFKADIQBUROLR-BRWVUGGUSA-N 2 1 363.506 0.669 20 30 FCEDMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3cccc(C#N)n3)CC2)C1 ZINC001232924260 1259544648 /nfs/dbraw/zinc/54/46/48/1259544648.db2.gz WNBSCJFIJFDMQN-UHFFFAOYSA-N 2 1 371.485 0.956 20 30 FCEDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cccc(C#N)n3)CC2)C1 ZINC001232924260 1259544654 /nfs/dbraw/zinc/54/46/54/1259544654.db2.gz WNBSCJFIJFDMQN-UHFFFAOYSA-N 2 1 371.485 0.956 20 30 FCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001251843893 1259766616 /nfs/dbraw/zinc/76/66/16/1259766616.db2.gz NEQDEINYAAIJAP-VAMGGRTRSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001251843893 1259766618 /nfs/dbraw/zinc/76/66/18/1259766618.db2.gz NEQDEINYAAIJAP-VAMGGRTRSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001251843893 1259766623 /nfs/dbraw/zinc/76/66/23/1259766623.db2.gz NEQDEINYAAIJAP-VAMGGRTRSA-N 2 1 359.470 0.615 20 30 FCEDMP CC(=O)N1CC[C@@H](C[NH+](C)CC#CC[N@H+](C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC001261786533 1260188796 /nfs/dbraw/zinc/18/87/96/1260188796.db2.gz JOFBAKKAUDKZAR-BGYRXZFFSA-N 2 1 362.518 0.590 20 30 FCEDMP CC(=O)N1CC[C@@H](C[N@@H+](C)CC#CC[NH+](C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC001261786533 1260188801 /nfs/dbraw/zinc/18/88/01/1260188801.db2.gz JOFBAKKAUDKZAR-BGYRXZFFSA-N 2 1 362.518 0.590 20 30 FCEDMP CC(=O)N1CC[C@@H](C[N@H+](C)CC#CC[NH+](C)C[C@H]2CCN(C(C)=O)C2)C1 ZINC001261786533 1260188808 /nfs/dbraw/zinc/18/88/08/1260188808.db2.gz JOFBAKKAUDKZAR-BGYRXZFFSA-N 2 1 362.518 0.590 20 30 FCEDMP CN1CCC([N@H+]2C[C@@H]3OCCN(C(=O)C4(C#N)CCOCC4)[C@H]3C2)CC1 ZINC001280069857 1260989839 /nfs/dbraw/zinc/98/98/39/1260989839.db2.gz BMDIRQPERYTSST-IRXDYDNUSA-N 2 1 362.474 0.313 20 30 FCEDMP C[NH+]1CCC(CC[N@@H+]2C[C@@H]3C(C(=O)N4CC(CC#N)C4)=NO[C@@H]3C2)CC1 ZINC001280139584 1261014130 /nfs/dbraw/zinc/01/41/30/1261014130.db2.gz DBSPRQDYNZXVIU-DLBZAZTESA-N 2 1 359.474 0.777 20 30 FCEDMP C#CC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC001326531362 1265126794 /nfs/dbraw/zinc/12/67/94/1265126794.db2.gz LAGOCQJIRPSMMX-GOSISDBHSA-N 2 1 360.502 0.485 20 30 FCEDMP C#CC1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC001326531362 1265126798 /nfs/dbraw/zinc/12/67/98/1265126798.db2.gz LAGOCQJIRPSMMX-GOSISDBHSA-N 2 1 360.502 0.485 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CCc2c[nH]nn2)C(C)C)CC1 ZINC001574967436 1271685593 /nfs/dbraw/zinc/68/55/93/1271685593.db2.gz RTAROFDJCXWSKU-UHFFFAOYSA-N 2 1 360.506 0.909 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CCc2cn[nH]n2)C(C)C)CC1 ZINC001574967436 1271685598 /nfs/dbraw/zinc/68/55/98/1271685598.db2.gz RTAROFDJCXWSKU-UHFFFAOYSA-N 2 1 360.506 0.909 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CCc2cn[nH]n2)C(C)C)CC1 ZINC001574967436 1271685608 /nfs/dbraw/zinc/68/56/08/1271685608.db2.gz RTAROFDJCXWSKU-UHFFFAOYSA-N 2 1 360.506 0.909 20 30 FCEDMP CC[N@H+]1CC[C@H](Cn2c([C@H]3CCC[NH2+]C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001577763695 1274848085 /nfs/dbraw/zinc/84/80/85/1274848085.db2.gz HNZSJWYIUBWBBO-YESZJQIVSA-N 2 1 373.505 0.816 20 30 FCEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC1)C2 ZINC001580041641 1277997467 /nfs/dbraw/zinc/99/74/67/1277997467.db2.gz FYLCEZYZVZGOPH-RGUMBQAQSA-N 2 1 359.474 0.066 20 30 FCEDMP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001692087103 1289394207 /nfs/dbraw/zinc/39/42/07/1289394207.db2.gz ZDAXGYDKYCWOGJ-SJORKVTESA-N 2 1 361.490 0.282 20 30 FCEDMP N#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001692087103 1289394215 /nfs/dbraw/zinc/39/42/15/1289394215.db2.gz ZDAXGYDKYCWOGJ-SJORKVTESA-N 2 1 361.490 0.282 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+](CCC)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001753143053 1290620193 /nfs/dbraw/zinc/62/01/93/1290620193.db2.gz GSBUKMSVHMHZSR-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN1CC[C@@H]([NH+](CCC)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001753143053 1290620201 /nfs/dbraw/zinc/62/02/01/1290620201.db2.gz GSBUKMSVHMHZSR-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN1CC[C@@H]([NH+](CCC)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001753143053 1290620209 /nfs/dbraw/zinc/62/02/09/1290620209.db2.gz GSBUKMSVHMHZSR-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219836 837636178 /nfs/dbraw/zinc/63/61/78/837636178.db2.gz MSCNSUDWXDONBU-KFWWJZLASA-N 2 1 352.870 0.856 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219836 837636181 /nfs/dbraw/zinc/63/61/81/837636181.db2.gz MSCNSUDWXDONBU-KFWWJZLASA-N 2 1 352.870 0.856 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051996 844397184 /nfs/dbraw/zinc/39/71/84/844397184.db2.gz XUXCYSVJLCPMOS-BZUAXINKSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051996 844397190 /nfs/dbraw/zinc/39/71/90/844397190.db2.gz XUXCYSVJLCPMOS-BZUAXINKSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051996 844397199 /nfs/dbraw/zinc/39/71/99/844397199.db2.gz XUXCYSVJLCPMOS-BZUAXINKSA-N 2 1 350.507 0.846 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001103407875 844751817 /nfs/dbraw/zinc/75/18/17/844751817.db2.gz YNNINUYVQPUFAH-JFIYKMOQSA-N 2 1 350.507 0.396 20 30 FCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346654 844895751 /nfs/dbraw/zinc/89/57/51/844895751.db2.gz GSBFCKHWDPZQDA-BRSBDYLESA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346654 844895756 /nfs/dbraw/zinc/89/57/56/844895756.db2.gz GSBFCKHWDPZQDA-BRSBDYLESA-N 2 1 351.491 0.430 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001106211019 845135655 /nfs/dbraw/zinc/13/56/55/845135655.db2.gz NGEJRHOUUKZCOL-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111925804 846262867 /nfs/dbraw/zinc/26/28/67/846262867.db2.gz KMPYNZTUBKWXMY-GJYPPUQNSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111925804 846262875 /nfs/dbraw/zinc/26/28/75/846262875.db2.gz KMPYNZTUBKWXMY-GJYPPUQNSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111925804 846262885 /nfs/dbraw/zinc/26/28/85/846262885.db2.gz KMPYNZTUBKWXMY-GJYPPUQNSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001111995988 846287818 /nfs/dbraw/zinc/28/78/18/846287818.db2.gz FTIFDFZSXXSQEN-LNLFQRSKSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001111995988 846287831 /nfs/dbraw/zinc/28/78/31/846287831.db2.gz FTIFDFZSXXSQEN-LNLFQRSKSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001111995988 846287840 /nfs/dbraw/zinc/28/78/40/846287840.db2.gz FTIFDFZSXXSQEN-LNLFQRSKSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001111995988 846287853 /nfs/dbraw/zinc/28/78/53/846287853.db2.gz FTIFDFZSXXSQEN-LNLFQRSKSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001111995989 846288252 /nfs/dbraw/zinc/28/82/52/846288252.db2.gz FTIFDFZSXXSQEN-SCTDSRPQSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001111995989 846288261 /nfs/dbraw/zinc/28/82/61/846288261.db2.gz FTIFDFZSXXSQEN-SCTDSRPQSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001111995989 846288268 /nfs/dbraw/zinc/28/82/68/846288268.db2.gz FTIFDFZSXXSQEN-SCTDSRPQSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001111995989 846288277 /nfs/dbraw/zinc/28/82/77/846288277.db2.gz FTIFDFZSXXSQEN-SCTDSRPQSA-N 2 1 351.491 0.880 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112194266 846452637 /nfs/dbraw/zinc/45/26/37/846452637.db2.gz VNUQRCJDELPMEJ-RRFJBIMHSA-N 2 1 361.408 0.957 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164575615 850417476 /nfs/dbraw/zinc/41/74/76/850417476.db2.gz DEFOZOUYLMXZSL-JKSUJKDBSA-N 2 1 350.507 0.895 20 30 FCEDMP CC[NH+](CC)CCCNC(S)/[NH+]=C/COCCOCCOCCO ZINC001196703362 853000321 /nfs/dbraw/zinc/00/03/21/853000321.db2.gz PQVRCBGWVQEGOS-UHFFFAOYSA-N 2 1 364.532 0.798 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@H]2O)CC1 ZINC001199029703 853357152 /nfs/dbraw/zinc/35/71/52/853357152.db2.gz NHXJFSJGDRAUJH-QZTJIDSGSA-N 2 1 351.491 0.308 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207697617 853842112 /nfs/dbraw/zinc/84/21/12/853842112.db2.gz GTNJALHGEJBCLI-BRWVUGGUSA-N 2 1 350.507 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207697617 853842113 /nfs/dbraw/zinc/84/21/13/853842113.db2.gz GTNJALHGEJBCLI-BRWVUGGUSA-N 2 1 350.507 0.964 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855843 855022934 /nfs/dbraw/zinc/02/29/34/855022934.db2.gz PGUATALZNLTYDY-BRWVUGGUSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215557955 855128318 /nfs/dbraw/zinc/12/83/18/855128318.db2.gz GKKWSQXTQCPNPP-OWCLPIDISA-N 2 1 350.507 0.846 20 30 FCEDMP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250538 214088473 /nfs/dbraw/zinc/08/84/73/214088473.db2.gz QUUMWRVIJGHDRA-RDJZCZTQSA-N 2 1 357.458 0.959 20 30 FCEDMP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250529 214088825 /nfs/dbraw/zinc/08/88/25/214088825.db2.gz QUUMWRVIJGHDRA-DOTOQJQBSA-N 2 1 357.458 0.959 20 30 FCEDMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)CC1 ZINC000424155594 247173758 /nfs/dbraw/zinc/17/37/58/247173758.db2.gz MYIUICPIJZFAFR-KRWDZBQOSA-N 2 1 363.506 0.800 20 30 FCEDMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424160336 247174639 /nfs/dbraw/zinc/17/46/39/247174639.db2.gz UGEHTQMDMXMQOX-QGZVFWFLSA-N 2 1 357.458 0.963 20 30 FCEDMP CS(=O)(=O)Nc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264120978 533419877 /nfs/dbraw/zinc/41/98/77/533419877.db2.gz QYXGETNXMBOLHM-UHFFFAOYSA-N 2 1 369.491 0.185 20 30 FCEDMP C[NH+](C)CCOc1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264084458 229321302 /nfs/dbraw/zinc/32/13/02/229321302.db2.gz JMENZWJRJWDRQR-UHFFFAOYSA-N 3 1 363.506 0.754 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Cn2cncn2)cc1 ZINC000264152234 229325841 /nfs/dbraw/zinc/32/58/41/229325841.db2.gz ZPPLIEHALIBRST-UHFFFAOYSA-N 2 1 357.462 0.453 20 30 FCEDMP [NH2+]=C(NCCCC(=O)N1Cc2ccccc2C1)NCCC[NH+]1CCOCC1 ZINC000267395155 229379235 /nfs/dbraw/zinc/37/92/35/229379235.db2.gz DVMKFWQNSBSMIN-UHFFFAOYSA-N 2 1 373.501 0.936 20 30 FCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000264790554 488712300 /nfs/dbraw/zinc/71/23/00/488712300.db2.gz RHPQSHIWQXADMT-LJQANCHMSA-N 2 1 372.517 0.877 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1C ZINC000278076759 488799183 /nfs/dbraw/zinc/79/91/83/488799183.db2.gz WQMNSZRKAYLTPP-AWEZNQCLSA-N 2 1 353.492 0.531 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC000329494423 489009753 /nfs/dbraw/zinc/00/97/53/489009753.db2.gz IKWSBSTZCGQTSU-CVEARBPZSA-N 2 1 355.527 0.313 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000329494423 489009756 /nfs/dbraw/zinc/00/97/56/489009756.db2.gz IKWSBSTZCGQTSU-CVEARBPZSA-N 2 1 355.527 0.313 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000329494423 489009760 /nfs/dbraw/zinc/00/97/60/489009760.db2.gz IKWSBSTZCGQTSU-CVEARBPZSA-N 2 1 355.527 0.313 20 30 FCEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330205342 489080088 /nfs/dbraw/zinc/08/00/88/489080088.db2.gz DJPNHLMGJXIIKJ-DDBAPUKQSA-N 2 1 368.522 0.665 20 30 FCEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC#N)CC(=O)OC)CC2)CC1 ZINC000563383949 491240779 /nfs/dbraw/zinc/24/07/79/491240779.db2.gz NLLWCTDGJKYQRL-UHFFFAOYSA-N 2 1 350.463 0.708 20 30 FCEDMP [NH2+]=C(NCCCN1C(=O)c2ccccc2C1=O)NCCC[NH+]1CCOCC1 ZINC000285046670 489316809 /nfs/dbraw/zinc/31/68/09/489316809.db2.gz KXSKVCJTZFBAOF-UHFFFAOYSA-N 2 1 373.457 0.299 20 30 FCEDMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)N(CCC#N)CCC#N)CC1 ZINC000507425664 490221977 /nfs/dbraw/zinc/22/19/77/490221977.db2.gz QTFIQLWLFKTKCH-UHFFFAOYSA-N 2 1 362.478 0.032 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000519550529 490975757 /nfs/dbraw/zinc/97/57/57/490975757.db2.gz RJERTANMERSUON-KRWDZBQOSA-N 2 1 362.518 0.943 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000567600040 491516912 /nfs/dbraw/zinc/51/69/12/491516912.db2.gz FAIPPVUBCRTRKG-INIZCTEOSA-N 2 1 350.507 0.943 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000591421151 491805357 /nfs/dbraw/zinc/80/53/57/491805357.db2.gz RDDNUJHGBHWKRL-UHFFFAOYSA-N 2 1 369.469 0.461 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[NH2+]C3CC3)CC2)cc1 ZINC000591421151 491805359 /nfs/dbraw/zinc/80/53/59/491805359.db2.gz RDDNUJHGBHWKRL-UHFFFAOYSA-N 2 1 369.469 0.461 20 30 FCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000591728056 491822663 /nfs/dbraw/zinc/82/26/63/491822663.db2.gz JAUCAYDUOJHGMW-FQEVSTJZSA-N 2 1 359.518 0.730 20 30 FCEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000600721643 491878780 /nfs/dbraw/zinc/87/87/80/491878780.db2.gz DPGJEQOICFKKIS-DLBZAZTESA-N 2 1 360.458 0.475 20 30 FCEDMP C[NH+]=C(NCCc1cn2c(n1)CCCC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261838021 526365236 /nfs/dbraw/zinc/36/52/36/526365236.db2.gz VYWMDSGGTUXXLM-QGZVFWFLSA-N 2 1 374.533 0.991 20 30 FCEDMP C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261985876 526377032 /nfs/dbraw/zinc/37/70/32/526377032.db2.gz QCOOCAQROLKANP-NWANDNLSSA-N 2 1 357.524 0.058 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262380956 526394505 /nfs/dbraw/zinc/39/45/05/526394505.db2.gz KJPRWDJHLKTKJA-USXIJHARSA-N 2 1 365.522 0.565 20 30 FCEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCO[C@H](COC)C1 ZINC000261770199 526414864 /nfs/dbraw/zinc/41/48/64/526414864.db2.gz DOPYXQWLAFDZEE-INIZCTEOSA-N 2 1 358.446 0.998 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000296253610 526817624 /nfs/dbraw/zinc/81/76/24/526817624.db2.gz GLXPRYLYXMBDGN-UHFFFAOYSA-N 2 1 373.501 0.732 20 30 FCEDMP CCN(CCC#N)S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000409592831 528378715 /nfs/dbraw/zinc/37/87/15/528378715.db2.gz SUUIUXFTBVOTPO-MRXNPFEDSA-N 2 1 359.540 0.815 20 30 FCEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262577507 528807579 /nfs/dbraw/zinc/80/75/79/528807579.db2.gz PAWYRCJIEUMRJC-MRXNPFEDSA-N 2 1 362.478 0.480 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261683211 528809597 /nfs/dbraw/zinc/80/95/97/528809597.db2.gz HVQXLCWFLZAEMO-HNNXBMFYSA-N 2 1 361.494 0.376 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccc(C)cc1 ZINC000264077688 529071359 /nfs/dbraw/zinc/07/13/59/529071359.db2.gz HSLRWRQPVWLWLD-OAHLLOKOSA-N 2 1 367.519 0.662 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccccc1S(=O)(=O)N(C)C ZINC000303785708 674571313 /nfs/dbraw/zinc/57/13/13/674571313.db2.gz QPKBZJDLOKNWNI-OAHLLOKOSA-N 2 1 367.519 0.826 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1ccccc1 ZINC000303775774 674571354 /nfs/dbraw/zinc/57/13/54/674571354.db2.gz HBOVLLZIUVBQLZ-AWEZNQCLSA-N 2 1 353.492 0.354 20 30 FCEDMP C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 ZINC000981663665 664834778 /nfs/dbraw/zinc/83/47/78/664834778.db2.gz RKOTTZRANNTSJY-MSOLQXFVSA-N 2 1 351.491 0.977 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001104291750 1169656857 /nfs/dbraw/zinc/65/68/57/1169656857.db2.gz SXSCMLMWMJXYKN-ZACQAIPSSA-N 2 1 371.485 0.584 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2C)CC1 ZINC000988990178 1192616291 /nfs/dbraw/zinc/61/62/91/1192616291.db2.gz FQWUUFVAGHMNRO-AEFFLSMTSA-N 2 1 371.485 0.642 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2C)CC1 ZINC000988106876 1191149703 /nfs/dbraw/zinc/14/97/03/1191149703.db2.gz AQHIBWZOVKUBBE-QAPCUYQASA-N 2 1 371.485 0.642 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218354314 1224155514 /nfs/dbraw/zinc/15/55/14/1224155514.db2.gz BHWXQRGZOBRGFW-OTWHNJEPSA-N 2 1 363.502 0.975 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218354314 1224155517 /nfs/dbraw/zinc/15/55/17/1224155517.db2.gz BHWXQRGZOBRGFW-OTWHNJEPSA-N 2 1 363.502 0.975 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCc4cnn(C)c4)C[C@H]32)CC1 ZINC001076604618 1194593360 /nfs/dbraw/zinc/59/33/60/1194593360.db2.gz OJDOUMXRGMSOLS-VQTJNVASSA-N 2 1 369.513 0.841 20 30 FCEDMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1C#N ZINC000912536396 1196350099 /nfs/dbraw/zinc/35/00/99/1196350099.db2.gz UZMHMUXGXSOEME-ULQDDVLXSA-N 2 1 361.490 0.518 20 30 FCEDMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H](C#N)C1 ZINC000912536396 1196350106 /nfs/dbraw/zinc/35/01/06/1196350106.db2.gz UZMHMUXGXSOEME-ULQDDVLXSA-N 2 1 361.490 0.518 20 30 FCEDMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@@H](C#N)C1 ZINC000912536396 1196350110 /nfs/dbraw/zinc/35/01/10/1196350110.db2.gz UZMHMUXGXSOEME-ULQDDVLXSA-N 2 1 361.490 0.518 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106266344 1197806264 /nfs/dbraw/zinc/80/62/64/1197806264.db2.gz DYNJEPQUDCVSCY-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC2CC2)[C@H](C)C1 ZINC001106266344 1197806269 /nfs/dbraw/zinc/80/62/69/1197806269.db2.gz DYNJEPQUDCVSCY-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449480 1200287251 /nfs/dbraw/zinc/28/72/51/1200287251.db2.gz XGWLMJZTIMHIKF-SQNIBIBYSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449480 1200287254 /nfs/dbraw/zinc/28/72/54/1200287254.db2.gz XGWLMJZTIMHIKF-SQNIBIBYSA-N 2 1 363.502 0.716 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129855991 1201405828 /nfs/dbraw/zinc/40/58/28/1201405828.db2.gz UINFXKOKAVJKGW-VQHPVUNQSA-N 2 1 362.478 0.162 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001129982948 1201462567 /nfs/dbraw/zinc/46/25/67/1201462567.db2.gz KMSOESOWZHPTIQ-NXHRZFHOSA-N 2 1 367.457 0.410 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130083699 1201493261 /nfs/dbraw/zinc/49/32/61/1201493261.db2.gz GENWXFGZRBPTKY-QYZOEREBSA-N 2 1 366.469 0.946 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132371 1201512900 /nfs/dbraw/zinc/51/29/00/1201512900.db2.gz CPFAQLNSOROJDC-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132371 1201512903 /nfs/dbraw/zinc/51/29/03/1201512903.db2.gz CPFAQLNSOROJDC-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001130216306 1201547152 /nfs/dbraw/zinc/54/71/52/1201547152.db2.gz SJWNGLNMJGILMT-KBPBESRZSA-N 2 1 362.478 0.553 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790219 1202798407 /nfs/dbraw/zinc/79/84/07/1202798407.db2.gz NMJIMOKLGLBLNP-LZWOXQAQSA-N 2 1 362.478 0.757 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC[NH+](C)C)n[nH]2)O1 ZINC001130804898 1202800779 /nfs/dbraw/zinc/80/07/79/1202800779.db2.gz RSCQHMUVWJYFOB-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014625 1202845240 /nfs/dbraw/zinc/84/52/40/1202845240.db2.gz CLHGVENYFIVWFO-YFHUEUNASA-N 2 1 361.490 0.599 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014625 1202845241 /nfs/dbraw/zinc/84/52/41/1202845241.db2.gz CLHGVENYFIVWFO-YFHUEUNASA-N 2 1 361.490 0.599 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125773 1202866760 /nfs/dbraw/zinc/86/67/60/1202866760.db2.gz LLGRLFMAXAJKLO-NUJGCVRESA-N 2 1 359.474 0.048 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125773 1202866761 /nfs/dbraw/zinc/86/67/61/1202866761.db2.gz LLGRLFMAXAJKLO-NUJGCVRESA-N 2 1 359.474 0.048 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](O)C1 ZINC001220357434 1224842722 /nfs/dbraw/zinc/84/27/22/1224842722.db2.gz JCOWZBWHYXSPGO-MOPGFXCFSA-N 2 1 361.486 0.768 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cnn(C)c1 ZINC001086981878 1204886622 /nfs/dbraw/zinc/88/66/22/1204886622.db2.gz HWXJWLAQDSCDTB-NZSAHSFTSA-N 2 1 357.502 0.915 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086997086 1204887666 /nfs/dbraw/zinc/88/76/66/1204887666.db2.gz KARHZXDEWZZFJD-ZYSHUDEJSA-N 2 1 366.469 0.705 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C(C)C)CC1 ZINC001110146043 1206090649 /nfs/dbraw/zinc/09/06/49/1206090649.db2.gz IFLUDMMBEDRCBH-QYZOEREBSA-N 2 1 374.529 0.920 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C(C)C)CC1 ZINC001110146043 1206090652 /nfs/dbraw/zinc/09/06/52/1206090652.db2.gz IFLUDMMBEDRCBH-QYZOEREBSA-N 2 1 374.529 0.920 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](C)C1 ZINC001093832845 1206126437 /nfs/dbraw/zinc/12/64/37/1206126437.db2.gz CNOLOEPSWQEOHP-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cncc(OC)n2)[C@H](C)C1 ZINC001093832845 1206126442 /nfs/dbraw/zinc/12/64/42/1206126442.db2.gz CNOLOEPSWQEOHP-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](C)C1 ZINC001093833011 1206126755 /nfs/dbraw/zinc/12/67/55/1206126755.db2.gz MUAOFPRVIXSNBJ-ZACQAIPSSA-N 2 1 358.490 0.580 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ncnn2CC)[C@H](C)C1 ZINC001093833011 1206126757 /nfs/dbraw/zinc/12/67/57/1206126757.db2.gz MUAOFPRVIXSNBJ-ZACQAIPSSA-N 2 1 358.490 0.580 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NC)CC3)CC1 ZINC001094582531 1206240837 /nfs/dbraw/zinc/24/08/37/1206240837.db2.gz QFORXYXNUFNKRZ-YLJYHZDGSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562797 1207463176 /nfs/dbraw/zinc/46/31/76/1207463176.db2.gz SEGXJDCVFOBKCO-RLFYNMQTSA-N 2 1 365.437 0.619 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)[C@@H]2C1 ZINC001188562797 1207463177 /nfs/dbraw/zinc/46/31/77/1207463177.db2.gz SEGXJDCVFOBKCO-RLFYNMQTSA-N 2 1 365.437 0.619 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609445 1207466484 /nfs/dbraw/zinc/46/64/84/1207466484.db2.gz BVVXXZVCUCEULZ-VVJOJPPRSA-N 2 1 359.470 0.032 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCCC)C[C@H]32)CC1 ZINC001190317601 1207674515 /nfs/dbraw/zinc/67/45/15/1207674515.db2.gz IVQOADHPOIYBCB-ZWKOTPCHSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCCC)C[C@H]32)CC1 ZINC001190317601 1207674521 /nfs/dbraw/zinc/67/45/21/1207674521.db2.gz IVQOADHPOIYBCB-ZWKOTPCHSA-N 2 1 360.502 0.391 20 30 FCEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220868705 1225115602 /nfs/dbraw/zinc/11/56/02/1225115602.db2.gz PQXSMPUFGOVOFL-ULQDDVLXSA-N 3 1 365.522 0.200 20 30 FCEDMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC)C2CC2)C[C@@H]1C#N)C1CC1 ZINC000875830006 1210393926 /nfs/dbraw/zinc/39/39/26/1210393926.db2.gz LKBSZRMRGRKONI-KRWDZBQOSA-N 2 1 361.490 0.518 20 30 FCEDMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC)C2CC2)[C@@H](C#N)C1)C1CC1 ZINC000875830006 1210393931 /nfs/dbraw/zinc/39/39/31/1210393931.db2.gz LKBSZRMRGRKONI-KRWDZBQOSA-N 2 1 361.490 0.518 20 30 FCEDMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC)C2CC2)[C@@H](C#N)C1)C1CC1 ZINC000875830006 1210393937 /nfs/dbraw/zinc/39/39/37/1210393937.db2.gz LKBSZRMRGRKONI-KRWDZBQOSA-N 2 1 361.490 0.518 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000890371907 1210975928 /nfs/dbraw/zinc/97/59/28/1210975928.db2.gz DIJKHZLCLYJUPZ-QGZVFWFLSA-N 2 1 363.506 0.280 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)C[NH+](CC)CC)CC2)C1 ZINC000890371907 1210975930 /nfs/dbraw/zinc/97/59/30/1210975930.db2.gz DIJKHZLCLYJUPZ-QGZVFWFLSA-N 2 1 363.506 0.280 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC#CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935326647 1211876070 /nfs/dbraw/zinc/87/60/70/1211876070.db2.gz JDUVSWYQEUZLPE-HDICACEKSA-N 2 1 362.518 0.968 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935326647 1211876071 /nfs/dbraw/zinc/87/60/71/1211876071.db2.gz JDUVSWYQEUZLPE-HDICACEKSA-N 2 1 362.518 0.968 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935326647 1211876073 /nfs/dbraw/zinc/87/60/73/1211876073.db2.gz JDUVSWYQEUZLPE-HDICACEKSA-N 2 1 362.518 0.968 20 30 FCEDMP COC(=O)c1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1OC ZINC000303877432 1213445390 /nfs/dbraw/zinc/44/53/90/1213445390.db2.gz FGFQKBCKRRCSIC-UHFFFAOYSA-N 2 1 364.446 0.608 20 30 FCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[N@H+]2CCCN(C)CC2)CC1 ZINC000303974550 1213449845 /nfs/dbraw/zinc/44/98/45/1213449845.db2.gz HZRYFUQVDXSZBB-UHFFFAOYSA-N 2 1 368.526 0.539 20 30 FCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCCN2CCC[N@H+](C)CC2)CC1 ZINC000303974550 1213449849 /nfs/dbraw/zinc/44/98/49/1213449849.db2.gz HZRYFUQVDXSZBB-UHFFFAOYSA-N 2 1 368.526 0.539 20 30 FCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCCN2CCC[N@@H+](C)CC2)CC1 ZINC000303974550 1213449851 /nfs/dbraw/zinc/44/98/51/1213449851.db2.gz HZRYFUQVDXSZBB-UHFFFAOYSA-N 2 1 368.526 0.539 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046466 1225589482 /nfs/dbraw/zinc/58/94/82/1225589482.db2.gz FGGUKGXSQVKULS-KZNAEPCWSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046466 1225589486 /nfs/dbraw/zinc/58/94/86/1225589486.db2.gz FGGUKGXSQVKULS-KZNAEPCWSA-N 2 1 360.502 0.533 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891601 1225663275 /nfs/dbraw/zinc/66/32/75/1225663275.db2.gz FWOSHDFKDOSHKJ-IKGGRYGDSA-N 2 1 371.485 0.986 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](n2ccnn2)C1 ZINC001069965952 1216872456 /nfs/dbraw/zinc/87/24/56/1216872456.db2.gz OOQXYIFRNXMDFU-MSOLQXFVSA-N 2 1 363.425 0.913 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H](n2ccnn2)C1 ZINC001069965952 1216872457 /nfs/dbraw/zinc/87/24/57/1216872457.db2.gz OOQXYIFRNXMDFU-MSOLQXFVSA-N 2 1 363.425 0.913 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)NC2CC2)CC1 ZINC001096605124 1218575143 /nfs/dbraw/zinc/57/51/43/1218575143.db2.gz BRWZVKZXMPXXGH-VLQPXKRTSA-N 2 1 372.513 0.720 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)NC2CC2)CC1 ZINC001096605124 1218575147 /nfs/dbraw/zinc/57/51/47/1218575147.db2.gz BRWZVKZXMPXXGH-VLQPXKRTSA-N 2 1 372.513 0.720 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC1 ZINC001111456608 1218879482 /nfs/dbraw/zinc/87/94/82/1218879482.db2.gz MACPRYMICCTRTF-QRVBRYPASA-N 2 1 372.513 0.579 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC1 ZINC001111456608 1218879483 /nfs/dbraw/zinc/87/94/83/1218879483.db2.gz MACPRYMICCTRTF-QRVBRYPASA-N 2 1 372.513 0.579 20 30 FCEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001226766284 1225854258 /nfs/dbraw/zinc/85/42/58/1225854258.db2.gz KXXYVFSWNVYYEK-BRWVUGGUSA-N 2 1 363.506 0.906 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001227224777 1225866690 /nfs/dbraw/zinc/86/66/90/1225866690.db2.gz JVEINHGJXKFPKS-KZNAEPCWSA-N 2 1 362.518 0.873 20 30 FCEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001227225808 1225866765 /nfs/dbraw/zinc/86/67/65/1225866765.db2.gz PNKSDKGTUVIIOQ-ZACQAIPSSA-N 2 1 363.506 0.764 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001070499204 1219440745 /nfs/dbraw/zinc/44/07/45/1219440745.db2.gz HFTISCYAEQFGBC-ZIFCJYIRSA-N 2 1 357.502 0.915 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070525986 1219453804 /nfs/dbraw/zinc/45/38/04/1219453804.db2.gz KSJPEFIJDFQVHC-CGTJXYLNSA-N 2 1 361.490 0.599 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070525986 1219453809 /nfs/dbraw/zinc/45/38/09/1219453809.db2.gz KSJPEFIJDFQVHC-CGTJXYLNSA-N 2 1 361.490 0.599 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1cncn1C ZINC001070683544 1219523611 /nfs/dbraw/zinc/52/36/11/1219523611.db2.gz SBGIMSCOWJBKNX-CGTJXYLNSA-N 2 1 366.469 0.705 20 30 FCEDMP C=CCCN1CCNC(=O)CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001071001122 1219587417 /nfs/dbraw/zinc/58/74/17/1219587417.db2.gz HARMRGIXEULWAV-HZPDHXFCSA-N 2 1 359.474 0.750 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1=O ZINC001072751973 1219621941 /nfs/dbraw/zinc/62/19/41/1219621941.db2.gz NQVRBZDJUWPTQP-ZACQAIPSSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC001072751973 1219621944 /nfs/dbraw/zinc/62/19/44/1219621944.db2.gz NQVRBZDJUWPTQP-ZACQAIPSSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC001072751973 1219621947 /nfs/dbraw/zinc/62/19/47/1219621947.db2.gz NQVRBZDJUWPTQP-ZACQAIPSSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001099163526 1219937225 /nfs/dbraw/zinc/93/72/25/1219937225.db2.gz ZBZKXBNCRJTEEN-QKLQHJQFSA-N 2 1 371.485 0.949 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001099163526 1219937227 /nfs/dbraw/zinc/93/72/27/1219937227.db2.gz ZBZKXBNCRJTEEN-QKLQHJQFSA-N 2 1 371.485 0.949 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](Cc2cnnn2C)C3)CC1 ZINC001099174236 1219941064 /nfs/dbraw/zinc/94/10/64/1219941064.db2.gz FHOLCEHWECRGMZ-PXNSSMCTSA-N 2 1 370.501 0.631 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](Cc2cnnn2C)C3)CC1 ZINC001099174236 1219941065 /nfs/dbraw/zinc/94/10/65/1219941065.db2.gz FHOLCEHWECRGMZ-PXNSSMCTSA-N 2 1 370.501 0.631 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncn2C)C1 ZINC001099446789 1219999702 /nfs/dbraw/zinc/99/97/02/1219999702.db2.gz HPXKDQQWMWPDSK-ZWOKBUDYSA-N 2 1 370.501 0.631 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nncn2C)C1 ZINC001099446789 1219999708 /nfs/dbraw/zinc/99/97/08/1219999708.db2.gz HPXKDQQWMWPDSK-ZWOKBUDYSA-N 2 1 370.501 0.631 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257078 1220249825 /nfs/dbraw/zinc/24/98/25/1220249825.db2.gz GDHIGSITNHFNEP-GJYPPUQNSA-N 2 1 366.481 0.196 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@]2(C)C1 ZINC001101257609 1220250307 /nfs/dbraw/zinc/25/03/07/1220250307.db2.gz CPFCGRQETVEYBW-HLIPFELVSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101257609 1220250312 /nfs/dbraw/zinc/25/03/12/1220250312.db2.gz CPFCGRQETVEYBW-HLIPFELVSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@]2(C)C1 ZINC001101257609 1220250317 /nfs/dbraw/zinc/25/03/17/1220250317.db2.gz CPFCGRQETVEYBW-HLIPFELVSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271235 1220258168 /nfs/dbraw/zinc/25/81/68/1220258168.db2.gz KBKYZPXSFMWVJE-HLIPFELVSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271235 1220258170 /nfs/dbraw/zinc/25/81/70/1220258170.db2.gz KBKYZPXSFMWVJE-HLIPFELVSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271235 1220258174 /nfs/dbraw/zinc/25/81/74/1220258174.db2.gz KBKYZPXSFMWVJE-HLIPFELVSA-N 2 1 360.502 0.391 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)CC[N@H+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418538 1220333175 /nfs/dbraw/zinc/33/31/75/1220333175.db2.gz WNPRKTWNIIILOC-HLIPFELVSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418538 1220333177 /nfs/dbraw/zinc/33/31/77/1220333177.db2.gz WNPRKTWNIIILOC-HLIPFELVSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)CC[NH+](C)CC)C[C@]3(C)C2)C1=O ZINC001101418538 1220333184 /nfs/dbraw/zinc/33/31/84/1220333184.db2.gz WNPRKTWNIIILOC-HLIPFELVSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461569 1220359520 /nfs/dbraw/zinc/35/95/20/1220359520.db2.gz IXHDYNNIXBKLPT-GGPKGHCWSA-N 2 1 365.518 0.938 20 30 FCEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101476513 1220368550 /nfs/dbraw/zinc/36/85/50/1220368550.db2.gz WZCYNOYTLGDCCT-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101476513 1220368552 /nfs/dbraw/zinc/36/85/52/1220368552.db2.gz WZCYNOYTLGDCCT-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101476513 1220368555 /nfs/dbraw/zinc/36/85/55/1220368555.db2.gz WZCYNOYTLGDCCT-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[NH+]1CCCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101476513 1220368558 /nfs/dbraw/zinc/36/85/58/1220368558.db2.gz WZCYNOYTLGDCCT-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)C1=O ZINC001102156437 1220528827 /nfs/dbraw/zinc/52/88/27/1220528827.db2.gz UJYLIZVTRLONSL-OIISXLGYSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)C1=O ZINC001102156437 1220528835 /nfs/dbraw/zinc/52/88/35/1220528835.db2.gz UJYLIZVTRLONSL-OIISXLGYSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320920 1220584014 /nfs/dbraw/zinc/58/40/14/1220584014.db2.gz ZGTXIIFRZKGKFN-QLFBSQMISA-N 2 1 367.494 0.023 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430381 1220621585 /nfs/dbraw/zinc/62/15/85/1220621585.db2.gz OJTVZQXQQSPZCN-FGTMMUONSA-N 2 1 362.518 0.684 20 30 FCEDMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102472240 1220642702 /nfs/dbraw/zinc/64/27/02/1220642702.db2.gz QHDJLYXHUGQLNU-IAGOWNOFSA-N 2 1 365.522 0.822 20 30 FCEDMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102472240 1220642706 /nfs/dbraw/zinc/64/27/06/1220642706.db2.gz QHDJLYXHUGQLNU-IAGOWNOFSA-N 2 1 365.522 0.822 20 30 FCEDMP CCCCCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102472240 1220642707 /nfs/dbraw/zinc/64/27/07/1220642707.db2.gz QHDJLYXHUGQLNU-IAGOWNOFSA-N 2 1 365.522 0.822 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102577965 1220700506 /nfs/dbraw/zinc/70/05/06/1220700506.db2.gz FNWOEIDSQSQAHH-BRWVUGGUSA-N 2 1 363.506 0.384 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102577965 1220700509 /nfs/dbraw/zinc/70/05/09/1220700509.db2.gz FNWOEIDSQSQAHH-BRWVUGGUSA-N 2 1 363.506 0.384 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102577965 1220700510 /nfs/dbraw/zinc/70/05/10/1220700510.db2.gz FNWOEIDSQSQAHH-BRWVUGGUSA-N 2 1 363.506 0.384 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOCCOC)C[C@H]2C)CC1 ZINC001102596694 1220717582 /nfs/dbraw/zinc/71/75/82/1220717582.db2.gz UEJAUWDMPYOVRX-IEBWSBKVSA-N 2 1 365.518 0.679 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001103103611 1220833983 /nfs/dbraw/zinc/83/39/83/1220833983.db2.gz PKYCJXOEZSHQRT-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001103103611 1220833985 /nfs/dbraw/zinc/83/39/85/1220833985.db2.gz PKYCJXOEZSHQRT-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001103103611 1220833986 /nfs/dbraw/zinc/83/39/86/1220833986.db2.gz PKYCJXOEZSHQRT-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP CC[C@@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](CC)CC ZINC001103426887 1220880475 /nfs/dbraw/zinc/88/04/75/1220880475.db2.gz RSSKXBVDCXABDF-ZACQAIPSSA-N 2 1 365.522 0.821 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2C)CC1 ZINC001103751909 1220964436 /nfs/dbraw/zinc/96/44/36/1220964436.db2.gz YLIPCNBGDCESPH-KBAYOESNSA-N 2 1 360.502 0.294 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001229502847 1226015242 /nfs/dbraw/zinc/01/52/42/1226015242.db2.gz ACQQERZLFWSYBK-HUUCEWRRSA-N 2 1 367.494 0.357 20 30 FCEDMP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003853 1221198150 /nfs/dbraw/zinc/19/81/50/1221198150.db2.gz DNZZMXPEEAKGJZ-LPHOPBHVSA-N 2 1 361.490 0.473 20 30 FCEDMP N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001112003853 1221198155 /nfs/dbraw/zinc/19/81/55/1221198155.db2.gz DNZZMXPEEAKGJZ-LPHOPBHVSA-N 2 1 361.490 0.473 20 30 FCEDMP C=CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288769 1222160083 /nfs/dbraw/zinc/16/00/83/1222160083.db2.gz JWNHSDVKSVEKMO-ITFIPKOWSA-N 2 1 364.490 0.025 20 30 FCEDMP C=CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121288769 1222160084 /nfs/dbraw/zinc/16/00/84/1222160084.db2.gz JWNHSDVKSVEKMO-ITFIPKOWSA-N 2 1 364.490 0.025 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445349 1222975973 /nfs/dbraw/zinc/97/59/73/1222975973.db2.gz CVGRFRSBBRUGGZ-BRWVUGGUSA-N 2 1 365.522 0.915 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153445349 1222975976 /nfs/dbraw/zinc/97/59/76/1222975976.db2.gz CVGRFRSBBRUGGZ-BRWVUGGUSA-N 2 1 365.522 0.915 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153445349 1222975984 /nfs/dbraw/zinc/97/59/84/1222975984.db2.gz CVGRFRSBBRUGGZ-BRWVUGGUSA-N 2 1 365.522 0.915 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153445349 1222975993 /nfs/dbraw/zinc/97/59/93/1222975993.db2.gz CVGRFRSBBRUGGZ-BRWVUGGUSA-N 2 1 365.522 0.915 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452224 1222976086 /nfs/dbraw/zinc/97/60/86/1222976086.db2.gz MPMCBJVBJCBRKV-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153452224 1222976089 /nfs/dbraw/zinc/97/60/89/1222976089.db2.gz MPMCBJVBJCBRKV-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153452224 1222976092 /nfs/dbraw/zinc/97/60/92/1222976092.db2.gz MPMCBJVBJCBRKV-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153452224 1222976093 /nfs/dbraw/zinc/97/60/93/1222976093.db2.gz MPMCBJVBJCBRKV-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205339436 1223320566 /nfs/dbraw/zinc/32/05/66/1223320566.db2.gz GDZAOVDNKFUTRC-BPQIPLTHSA-N 2 1 362.518 0.683 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547106 1223454526 /nfs/dbraw/zinc/45/45/26/1223454526.db2.gz LLWAZEFERCVDPB-KYJSFNMBSA-N 2 1 363.506 0.525 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207547106 1223454528 /nfs/dbraw/zinc/45/45/28/1223454528.db2.gz LLWAZEFERCVDPB-KYJSFNMBSA-N 2 1 363.506 0.525 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209958210 1223658840 /nfs/dbraw/zinc/65/88/40/1223658840.db2.gz ZNQRRFDFFDGEKQ-JFIYKMOQSA-N 2 1 362.518 0.681 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209958210 1223658843 /nfs/dbraw/zinc/65/88/43/1223658843.db2.gz ZNQRRFDFFDGEKQ-JFIYKMOQSA-N 2 1 362.518 0.681 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210297146 1223681447 /nfs/dbraw/zinc/68/14/47/1223681447.db2.gz BSYNPPRISXNKOB-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210297146 1223681450 /nfs/dbraw/zinc/68/14/50/1223681450.db2.gz BSYNPPRISXNKOB-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210297146 1223681455 /nfs/dbraw/zinc/68/14/55/1223681455.db2.gz BSYNPPRISXNKOB-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210297146 1223681458 /nfs/dbraw/zinc/68/14/58/1223681458.db2.gz BSYNPPRISXNKOB-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@@H](C)CC)C[C@H]2C)CC1 ZINC001211307071 1223733531 /nfs/dbraw/zinc/73/35/31/1223733531.db2.gz NMLCZAJRRMJJTJ-SOLBZPMBSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@@H](C)CC)C[C@H]2C)CC1 ZINC001211307071 1223733533 /nfs/dbraw/zinc/73/35/33/1223733533.db2.gz NMLCZAJRRMJJTJ-SOLBZPMBSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N[C@H](C)CC)C[C@H]2C)CC1 ZINC001211307070 1223733880 /nfs/dbraw/zinc/73/38/80/1223733880.db2.gz NMLCZAJRRMJJTJ-JFIYKMOQSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N[C@H](C)CC)C[C@H]2C)CC1 ZINC001211307070 1223733883 /nfs/dbraw/zinc/73/38/83/1223733883.db2.gz NMLCZAJRRMJJTJ-JFIYKMOQSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444221 1223742398 /nfs/dbraw/zinc/74/23/98/1223742398.db2.gz RVWJVMJPPCEYEI-KZNAEPCWSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444221 1223742400 /nfs/dbraw/zinc/74/24/00/1223742400.db2.gz RVWJVMJPPCEYEI-KZNAEPCWSA-N 2 1 362.518 0.827 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374329 1223791786 /nfs/dbraw/zinc/79/17/86/1223791786.db2.gz BBSPJCMIZSNJNQ-GVDBMIGSSA-N 2 1 368.522 0.567 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374329 1223791787 /nfs/dbraw/zinc/79/17/87/1223791787.db2.gz BBSPJCMIZSNJNQ-GVDBMIGSSA-N 2 1 368.522 0.567 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544508 1224005549 /nfs/dbraw/zinc/00/55/49/1224005549.db2.gz YGEJWLIPWYDLPU-FRFSOERESA-N 2 1 359.474 0.493 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001215934189 1224025416 /nfs/dbraw/zinc/02/54/16/1224025416.db2.gz HLIKPJSRVYAVHT-BFYDXBDKSA-N 2 1 359.474 0.546 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216352000 1224045950 /nfs/dbraw/zinc/04/59/50/1224045950.db2.gz IVZJSIYOGLHGIB-YVWKXTFCSA-N 2 1 370.497 0.865 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000923576418 1245730389 /nfs/dbraw/zinc/73/03/89/1245730389.db2.gz ILUIVAFLAIZPQE-GOSISDBHSA-N 2 1 355.486 0.808 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000923576418 1245730398 /nfs/dbraw/zinc/73/03/98/1245730398.db2.gz ILUIVAFLAIZPQE-GOSISDBHSA-N 2 1 355.486 0.808 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC000994200546 1250278451 /nfs/dbraw/zinc/27/84/51/1250278451.db2.gz AFEQRNRCAXVEOH-BDXSIMOUSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C ZINC000994200546 1250278463 /nfs/dbraw/zinc/27/84/63/1250278463.db2.gz AFEQRNRCAXVEOH-BDXSIMOUSA-N 2 1 362.518 0.635 20 30 FCEDMP N#CC[C@]1(O)CCN(Cc2cncc(C[N@@H+]3CC[C@@](O)(CC#N)C3)c2)C1 ZINC001328181318 1265497847 /nfs/dbraw/zinc/49/78/47/1265497847.db2.gz ITWXCRRCWQBBTM-OALUTQOASA-N 2 1 355.442 0.783 20 30 FCEDMP N#CC[C@]1(O)CCN(Cc2cncc(C[N@H+]3CC[C@@](O)(CC#N)C3)c2)C1 ZINC001328181318 1265497853 /nfs/dbraw/zinc/49/78/53/1265497853.db2.gz ITWXCRRCWQBBTM-OALUTQOASA-N 2 1 355.442 0.783 20 30 FCEDMP N#CCOc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078012961 1255169133 /nfs/dbraw/zinc/16/91/33/1255169133.db2.gz KLMPSUSSXZPZKM-QZTJIDSGSA-N 2 1 370.453 0.346 20 30 FCEDMP N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001078012961 1255169138 /nfs/dbraw/zinc/16/91/38/1255169138.db2.gz KLMPSUSSXZPZKM-QZTJIDSGSA-N 2 1 370.453 0.346 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2O)CC1 ZINC001078228526 1255343709 /nfs/dbraw/zinc/34/37/09/1255343709.db2.gz UJZHONCBOSBAAY-WOJBJXKFSA-N 2 1 371.481 0.702 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)cc3)C[C@H]2O)CC1 ZINC001078228526 1255343718 /nfs/dbraw/zinc/34/37/18/1255343718.db2.gz UJZHONCBOSBAAY-WOJBJXKFSA-N 2 1 371.481 0.702 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001082567980 1256872257 /nfs/dbraw/zinc/87/22/57/1256872257.db2.gz PKEWDNBGGATZDU-OIISXLGYSA-N 2 1 357.458 0.519 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccnc(OC)n2)C1 ZINC001082567980 1256872267 /nfs/dbraw/zinc/87/22/67/1256872267.db2.gz PKEWDNBGGATZDU-OIISXLGYSA-N 2 1 357.458 0.519 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001083833180 1257587374 /nfs/dbraw/zinc/58/73/74/1257587374.db2.gz NABGGQNMBGWPCX-MOPGFXCFSA-N 2 1 356.470 0.951 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001083833180 1257587377 /nfs/dbraw/zinc/58/73/77/1257587377.db2.gz NABGGQNMBGWPCX-MOPGFXCFSA-N 2 1 356.470 0.951 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H]3CC(C)(C)CO3)C[C@@H]2O)CC1 ZINC001084090267 1257914668 /nfs/dbraw/zinc/91/46/68/1257914668.db2.gz RLDBBVGCRIWYIQ-KSZLIROESA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)C[C@@H]2O)CC1 ZINC001084090170 1257915210 /nfs/dbraw/zinc/91/52/10/1257915210.db2.gz NJOZYGUSAHIXQU-OIISXLGYSA-N 2 1 369.456 0.928 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001084778235 1258320054 /nfs/dbraw/zinc/32/00/54/1258320054.db2.gz MQDPWPVVCWCEHV-IXDOHACOSA-N 2 1 358.486 0.402 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001084778235 1258320063 /nfs/dbraw/zinc/32/00/63/1258320063.db2.gz MQDPWPVVCWCEHV-IXDOHACOSA-N 2 1 358.486 0.402 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCn3cccn3)[C@H]2C1 ZINC001084960955 1258472834 /nfs/dbraw/zinc/47/28/34/1258472834.db2.gz BAJIXCDSZLHEQE-QYZOEREBSA-N 2 1 355.486 0.904 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCn3cccn3)[C@H]2C1 ZINC001084960955 1258472836 /nfs/dbraw/zinc/47/28/36/1258472836.db2.gz BAJIXCDSZLHEQE-QYZOEREBSA-N 2 1 355.486 0.904 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCn3cccn3)[C@H]2C1 ZINC001084960955 1258472838 /nfs/dbraw/zinc/47/28/38/1258472838.db2.gz BAJIXCDSZLHEQE-QYZOEREBSA-N 2 1 355.486 0.904 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCn3cccn3)[C@H]2C1 ZINC001084960955 1258472840 /nfs/dbraw/zinc/47/28/40/1258472840.db2.gz BAJIXCDSZLHEQE-QYZOEREBSA-N 2 1 355.486 0.904 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N(C)C)[C@H]3C2)CC1 ZINC001085100657 1258593036 /nfs/dbraw/zinc/59/30/36/1258593036.db2.gz UQTMJGCISJPKIR-AEFFLSMTSA-N 2 1 360.502 0.343 20 30 FCEDMP C[N@H+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC#N)CC3)C1 ZINC001107609450 1259132914 /nfs/dbraw/zinc/13/29/14/1259132914.db2.gz SWSGOPXEXIEPOF-FRQCXROJSA-N 2 1 361.490 0.329 20 30 FCEDMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C1 ZINC001107609450 1259132916 /nfs/dbraw/zinc/13/29/16/1259132916.db2.gz SWSGOPXEXIEPOF-FRQCXROJSA-N 2 1 361.490 0.329 20 30 FCEDMP C[NH+]1CC[C@@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)C1 ZINC001107609450 1259132918 /nfs/dbraw/zinc/13/29/18/1259132918.db2.gz SWSGOPXEXIEPOF-FRQCXROJSA-N 2 1 361.490 0.329 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064670 1259303915 /nfs/dbraw/zinc/30/39/15/1259303915.db2.gz KZOPFAGUDXOGNO-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064670 1259303918 /nfs/dbraw/zinc/30/39/18/1259303918.db2.gz KZOPFAGUDXOGNO-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064670 1259303924 /nfs/dbraw/zinc/30/39/24/1259303924.db2.gz KZOPFAGUDXOGNO-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064670 1259303928 /nfs/dbraw/zinc/30/39/28/1259303928.db2.gz KZOPFAGUDXOGNO-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCOC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001252463489 1259791025 /nfs/dbraw/zinc/79/10/25/1259791025.db2.gz PDSUCHUQBWWSFY-IPMKNSEASA-N 2 1 365.518 0.957 20 30 FCEDMP C#CCN(C)c1nnc([C@@H]2CCC[NH2+]C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001574604914 1271409716 /nfs/dbraw/zinc/40/97/16/1271409716.db2.gz UHKWUAPUBPTMPR-IAGOWNOFSA-N 2 1 360.506 0.661 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001574966770 1271687033 /nfs/dbraw/zinc/68/70/33/1271687033.db2.gz HGNRUXKCZYQFLX-LPHOPBHVSA-N 2 1 372.517 0.909 20 30 FCEDMP N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)o2)cc1 ZINC001580062787 1278002951 /nfs/dbraw/zinc/00/29/51/1278002951.db2.gz PQJLAQLSLHNMHN-HNNXBMFYSA-N 2 1 354.414 0.895 20 30 FCEDMP N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)o2)cc1 ZINC001580062787 1278002958 /nfs/dbraw/zinc/00/29/58/1278002958.db2.gz PQJLAQLSLHNMHN-HNNXBMFYSA-N 2 1 354.414 0.895 20 30 FCEDMP COc1ccc(C[NH2+]C[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC001732645608 1288588639 /nfs/dbraw/zinc/58/86/39/1288588639.db2.gz PVSIHVQUNOQWMI-KBRIMQKVSA-N 2 1 360.458 0.474 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001699705663 1289562389 /nfs/dbraw/zinc/56/23/89/1289562389.db2.gz NWJGSKLILDDEJF-QKLQHJQFSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001699705663 1289562393 /nfs/dbraw/zinc/56/23/93/1289562393.db2.gz NWJGSKLILDDEJF-QKLQHJQFSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001699705663 1289562400 /nfs/dbraw/zinc/56/24/00/1289562400.db2.gz NWJGSKLILDDEJF-QKLQHJQFSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001688876411 1294542844 /nfs/dbraw/zinc/54/28/44/1294542844.db2.gz ULWOPKRRCKEKMU-LZLYRXPVSA-N 2 1 362.518 0.540 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001689312873 1294737497 /nfs/dbraw/zinc/73/74/97/1294737497.db2.gz NZWBNURKCIUOIS-ZACQAIPSSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001689312873 1294737501 /nfs/dbraw/zinc/73/75/01/1294737501.db2.gz NZWBNURKCIUOIS-ZACQAIPSSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001689312873 1294737506 /nfs/dbraw/zinc/73/75/06/1294737506.db2.gz NZWBNURKCIUOIS-ZACQAIPSSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001689312873 1294737512 /nfs/dbraw/zinc/73/75/12/1294737512.db2.gz NZWBNURKCIUOIS-ZACQAIPSSA-N 2 1 350.507 0.990 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128981 838753302 /nfs/dbraw/zinc/75/33/02/838753302.db2.gz NNHSKUFQUNHLPN-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128981 838753307 /nfs/dbraw/zinc/75/33/07/838753307.db2.gz NNHSKUFQUNHLPN-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128981 838753313 /nfs/dbraw/zinc/75/33/13/838753313.db2.gz NNHSKUFQUNHLPN-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C2)C1=O ZINC001102524932 844553941 /nfs/dbraw/zinc/55/39/41/844553941.db2.gz DOJMDLPXDCPBQZ-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C2)C1=O ZINC001102524932 844553945 /nfs/dbraw/zinc/55/39/45/844553945.db2.gz DOJMDLPXDCPBQZ-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C2)C1=O ZINC001102524932 844553947 /nfs/dbraw/zinc/55/39/47/844553947.db2.gz DOJMDLPXDCPBQZ-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138294 844707227 /nfs/dbraw/zinc/70/72/27/844707227.db2.gz CXYVHABUCNHZAQ-BRSBDYLESA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103138294 844707232 /nfs/dbraw/zinc/70/72/32/844707232.db2.gz CXYVHABUCNHZAQ-BRSBDYLESA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103138294 844707236 /nfs/dbraw/zinc/70/72/36/844707236.db2.gz CXYVHABUCNHZAQ-BRSBDYLESA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103138294 844707240 /nfs/dbraw/zinc/70/72/40/844707240.db2.gz CXYVHABUCNHZAQ-BRSBDYLESA-N 2 1 353.507 0.982 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103665648 844797230 /nfs/dbraw/zinc/79/72/30/844797230.db2.gz NZSUJVHRNJVVMF-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103665648 844797235 /nfs/dbraw/zinc/79/72/35/844797235.db2.gz NZSUJVHRNJVVMF-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103665648 844797240 /nfs/dbraw/zinc/79/72/40/844797240.db2.gz NZSUJVHRNJVVMF-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104306145 844892071 /nfs/dbraw/zinc/89/20/71/844892071.db2.gz NBYXUMWACSNLQI-ZACQAIPSSA-N 2 1 369.531 0.203 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCS(C)(=O)=O)C1 ZINC001104306145 844892078 /nfs/dbraw/zinc/89/20/78/844892078.db2.gz NBYXUMWACSNLQI-ZACQAIPSSA-N 2 1 369.531 0.203 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1C ZINC001106151689 845114943 /nfs/dbraw/zinc/11/49/43/845114943.db2.gz VYVNZOMSKGPAAK-WCXIOVBPSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@H+](C)CCO1)C2 ZINC001112291303 846490310 /nfs/dbraw/zinc/49/03/10/846490310.db2.gz FVEHMSXMLFBCTG-LNLFQRSKSA-N 2 1 351.491 0.738 20 30 FCEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)C2 ZINC001112291303 846490313 /nfs/dbraw/zinc/49/03/13/846490313.db2.gz FVEHMSXMLFBCTG-LNLFQRSKSA-N 2 1 351.491 0.738 20 30 FCEDMP N#CCCNCC(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161198768 850239391 /nfs/dbraw/zinc/23/93/91/850239391.db2.gz XOXNUACKYWJXMB-UHFFFAOYSA-N 2 1 351.495 0.040 20 30 FCEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170871386 850668721 /nfs/dbraw/zinc/66/87/21/850668721.db2.gz PIINTSAKJDNUQH-YESZJQIVSA-N 2 1 350.507 0.731 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001209562132 854038188 /nfs/dbraw/zinc/03/81/88/854038188.db2.gz OODXTGOIGKRJLY-IAGOWNOFSA-N 2 1 350.507 0.684 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001209562132 854038191 /nfs/dbraw/zinc/03/81/91/854038191.db2.gz OODXTGOIGKRJLY-IAGOWNOFSA-N 2 1 350.507 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209562132 854038193 /nfs/dbraw/zinc/03/81/93/854038193.db2.gz OODXTGOIGKRJLY-IAGOWNOFSA-N 2 1 350.507 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001209562132 854038196 /nfs/dbraw/zinc/03/81/96/854038196.db2.gz OODXTGOIGKRJLY-IAGOWNOFSA-N 2 1 350.507 0.684 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638149 854694702 /nfs/dbraw/zinc/69/47/02/854694702.db2.gz AWZJDABGECFOIS-IAGOWNOFSA-N 2 1 355.479 0.115 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215568075 855128742 /nfs/dbraw/zinc/12/87/42/855128742.db2.gz KXRQCGHCVXDOQB-BZUAXINKSA-N 2 1 350.507 0.539 20 30 FCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524412 855433905 /nfs/dbraw/zinc/43/39/05/855433905.db2.gz XGDJCWLJCKBIPB-RCCFBDPRSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524412 855433908 /nfs/dbraw/zinc/43/39/08/855433908.db2.gz XGDJCWLJCKBIPB-RCCFBDPRSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524412 855433912 /nfs/dbraw/zinc/43/39/12/855433912.db2.gz XGDJCWLJCKBIPB-RCCFBDPRSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524412 855433917 /nfs/dbraw/zinc/43/39/17/855433917.db2.gz XGDJCWLJCKBIPB-RCCFBDPRSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218528163 855435117 /nfs/dbraw/zinc/43/51/17/855435117.db2.gz SSYFONNHAHANJK-XLAORIBOSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218528163 855435121 /nfs/dbraw/zinc/43/51/21/855435121.db2.gz SSYFONNHAHANJK-XLAORIBOSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@H]2C1 ZINC001218528163 855435125 /nfs/dbraw/zinc/43/51/25/855435125.db2.gz SSYFONNHAHANJK-XLAORIBOSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001223438896 856917311 /nfs/dbraw/zinc/91/73/11/856917311.db2.gz HGQPKZAOTFHVLW-SOLBZPMBSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]21 ZINC001223955117 856954719 /nfs/dbraw/zinc/95/47/19/856954719.db2.gz HILTUIFMABUSGT-SJORKVTESA-N 2 1 350.507 0.943 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCOC ZINC001226860872 857128759 /nfs/dbraw/zinc/12/87/59/857128759.db2.gz SOTLGVBSKREHTD-KURKYZTESA-N 2 1 351.491 0.764 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCOCCOC ZINC001226860872 857128764 /nfs/dbraw/zinc/12/87/64/857128764.db2.gz SOTLGVBSKREHTD-KURKYZTESA-N 2 1 351.491 0.764 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001227453734 857160405 /nfs/dbraw/zinc/16/04/05/857160405.db2.gz HKXCJLDHSQJFHA-HYVNUMGLSA-N 2 1 350.507 0.988 20 30 FCEDMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@@H+]([C@H]1CCN[C@H](C#N)C1)C2 ZINC001246671511 857589016 /nfs/dbraw/zinc/58/90/16/857589016.db2.gz SFZQSZGJQMARQF-VIRABCJISA-N 2 1 360.380 0.648 20 30 FCEDMP CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)C[N@H+]([C@H]1CCN[C@H](C#N)C1)C2 ZINC001246671511 857589023 /nfs/dbraw/zinc/58/90/23/857589023.db2.gz SFZQSZGJQMARQF-VIRABCJISA-N 2 1 360.380 0.648 20 30 FCEDMP C[N@H+]1CC[C@](O)(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000262348720 529809240 /nfs/dbraw/zinc/80/92/40/529809240.db2.gz YLVUZHKIVULNNH-KRWDZBQOSA-N 2 1 351.882 0.843 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000419854537 246323307 /nfs/dbraw/zinc/32/33/07/246323307.db2.gz BRKAWJMWWOAVSA-SFHVURJKSA-N 2 1 369.469 0.446 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cc1 ZINC000419854537 246323309 /nfs/dbraw/zinc/32/33/09/246323309.db2.gz BRKAWJMWWOAVSA-SFHVURJKSA-N 2 1 369.469 0.446 20 30 FCEDMP COCCOc1ncccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264121584 229323255 /nfs/dbraw/zinc/32/32/55/229323255.db2.gz VBNWOKKLUSLANZ-UHFFFAOYSA-N 2 1 351.451 0.233 20 30 FCEDMP Cc1ccoc1C(=O)NCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267396581 229378422 /nfs/dbraw/zinc/37/84/22/229378422.db2.gz FEYZAHDUXLHAMB-UHFFFAOYSA-N 2 1 351.451 0.335 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270465837 488516560 /nfs/dbraw/zinc/51/65/60/488516560.db2.gz XUVYWMRNEYGMEL-SFHVURJKSA-N 2 1 373.501 0.662 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000276601276 488785470 /nfs/dbraw/zinc/78/54/70/488785470.db2.gz IDEHLCJHAQTQIF-OAHLLOKOSA-N 2 1 368.503 0.341 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000174770285 488851242 /nfs/dbraw/zinc/85/12/42/488851242.db2.gz HMFQDXAFNCLXHP-GOSISDBHSA-N 2 1 354.495 0.409 20 30 FCEDMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000329327550 488993825 /nfs/dbraw/zinc/99/38/25/488993825.db2.gz XGRKQJUFNFGPOE-MRXNPFEDSA-N 2 1 363.506 0.623 20 30 FCEDMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000329327550 488993827 /nfs/dbraw/zinc/99/38/27/488993827.db2.gz XGRKQJUFNFGPOE-MRXNPFEDSA-N 2 1 363.506 0.623 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000329540678 489014367 /nfs/dbraw/zinc/01/43/67/489014367.db2.gz NCQCPYKDCNYEAJ-JQHSSLGASA-N 2 1 368.522 0.667 20 30 FCEDMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000329819381 489039381 /nfs/dbraw/zinc/03/93/81/489039381.db2.gz GMGSDRKAGXFINQ-OAHLLOKOSA-N 2 1 353.511 0.727 20 30 FCEDMP O=C(NCC[NH+]1CCSCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330174864 489076582 /nfs/dbraw/zinc/07/65/82/489076582.db2.gz IPPHPEMNKCKQLG-HZPDHXFCSA-N 2 1 356.536 0.917 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)NC)CC2)CC1 ZINC000330654445 489128498 /nfs/dbraw/zinc/12/84/98/489128498.db2.gz MUPWICKCYGYQOV-UHFFFAOYSA-N 2 1 351.495 0.741 20 30 FCEDMP COCCOCc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000290976064 489171450 /nfs/dbraw/zinc/17/14/50/489171450.db2.gz PMAMLGAFJOVSMS-UHFFFAOYSA-N 2 1 364.490 0.976 20 30 FCEDMP C[N@@H+](CCO)C1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000331263691 489190916 /nfs/dbraw/zinc/19/09/16/489190916.db2.gz GALCFTVDMJDFKG-UHFFFAOYSA-N 2 1 355.527 0.315 20 30 FCEDMP C[NH+](CCO)C1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000331263691 489190920 /nfs/dbraw/zinc/19/09/20/489190920.db2.gz GALCFTVDMJDFKG-UHFFFAOYSA-N 2 1 355.527 0.315 20 30 FCEDMP C[NH+](CCO)C1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000331263691 489190922 /nfs/dbraw/zinc/19/09/22/489190922.db2.gz GALCFTVDMJDFKG-UHFFFAOYSA-N 2 1 355.527 0.315 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373977198 489692250 /nfs/dbraw/zinc/69/22/50/489692250.db2.gz DQTBNNRFKKYDIJ-HUUCEWRRSA-N 2 1 352.479 0.819 20 30 FCEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000408024546 490212713 /nfs/dbraw/zinc/21/27/13/490212713.db2.gz DDVWMWXQNZYHJE-HXUWFJFHSA-N 2 1 367.497 0.982 20 30 FCEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@H]3C[N@H+]4CCN3CCC4)CC2)cc1 ZINC000408024546 490212719 /nfs/dbraw/zinc/21/27/19/490212719.db2.gz DDVWMWXQNZYHJE-HXUWFJFHSA-N 2 1 367.497 0.982 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC2)cc1 ZINC000408024546 490212724 /nfs/dbraw/zinc/21/27/24/490212724.db2.gz DDVWMWXQNZYHJE-HXUWFJFHSA-N 2 1 367.497 0.982 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[NH+]4CCN3CCC4)CC2)cc1 ZINC000408024546 490212727 /nfs/dbraw/zinc/21/27/27/490212727.db2.gz DDVWMWXQNZYHJE-HXUWFJFHSA-N 2 1 367.497 0.982 20 30 FCEDMP CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507427995 490221817 /nfs/dbraw/zinc/22/18/17/490221817.db2.gz YVCXQCMTMKIWQH-KXBFYZLASA-N 2 1 365.522 0.819 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000561412485 491605939 /nfs/dbraw/zinc/60/59/39/491605939.db2.gz JBNBQNDGNWCTLQ-IYBDPMFKSA-N 2 1 366.506 0.369 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000580850892 491749096 /nfs/dbraw/zinc/74/90/96/491749096.db2.gz UIVYMORKHZAGCQ-INIZCTEOSA-N 2 1 366.506 0.370 20 30 FCEDMP C(#CC[N@H+]1CCC[C@@H](n2ccnn2)C1)CN1CCC[C@H](n2ccnn2)C1 ZINC000582901892 491831240 /nfs/dbraw/zinc/83/12/40/491831240.db2.gz RKGPITYTEZALAY-HDICACEKSA-N 2 1 354.462 0.847 20 30 FCEDMP C(#CC[N@@H+]1CCC[C@H](n2ccnn2)C1)CN1CCC[C@@H](n2ccnn2)C1 ZINC000582901892 491831242 /nfs/dbraw/zinc/83/12/42/491831242.db2.gz RKGPITYTEZALAY-HDICACEKSA-N 2 1 354.462 0.847 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O ZINC000609584283 492215165 /nfs/dbraw/zinc/21/51/65/492215165.db2.gz WUQXZMGXEYRFLA-HOTGVXAUSA-N 2 1 361.490 0.423 20 30 FCEDMP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261991840 526353152 /nfs/dbraw/zinc/35/31/52/526353152.db2.gz RMEXROMXFSQSNZ-XJKSGUPXSA-N 2 1 371.551 0.306 20 30 FCEDMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261823470 526374682 /nfs/dbraw/zinc/37/46/82/526374682.db2.gz UTPLXPQBKLRZGT-KPZWWZAWSA-N 2 1 364.494 0.355 20 30 FCEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCO[C@@H](COC)C1 ZINC000261770204 526413922 /nfs/dbraw/zinc/41/39/22/526413922.db2.gz DOPYXQWLAFDZEE-MRXNPFEDSA-N 2 1 358.446 0.998 20 30 FCEDMP CC(=O)N1CC[NH+](CCOc2ccc(CCNC3=[NH+]C[C@@H](C)N3)cc2)CC1 ZINC000262201000 526628026 /nfs/dbraw/zinc/62/80/26/526628026.db2.gz AVNFOZODAWRAGF-MRXNPFEDSA-N 2 1 373.501 0.709 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)S(=O)(=O)c1cccs1 ZINC000151405097 529072382 /nfs/dbraw/zinc/07/23/82/529072382.db2.gz VDRFTTYGSQOJMV-CYBMUJFWSA-N 2 1 373.548 0.757 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)c1cccs1 ZINC000160475828 529100385 /nfs/dbraw/zinc/10/03/85/529100385.db2.gz KZWBFWDPAIPIJA-LBPRGKRZSA-N 2 1 359.521 0.415 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(S(=O)(=O)NC)c1 ZINC000264088885 529100612 /nfs/dbraw/zinc/10/06/12/529100612.db2.gz KIPUJTGITLRUFD-AWEZNQCLSA-N 2 1 353.492 0.483 20 30 FCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000329679396 546561162 /nfs/dbraw/zinc/56/11/62/546561162.db2.gz QVFOJXJJBDWZEU-KRWDZBQOSA-N 2 1 353.511 0.190 20 30 FCEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395703 674403672 /nfs/dbraw/zinc/40/36/72/674403672.db2.gz ZEXLVVNBYDQRSB-IAGOWNOFSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCC[NH+]1CCOC2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395703 674403673 /nfs/dbraw/zinc/40/36/73/674403673.db2.gz ZEXLVVNBYDQRSB-IAGOWNOFSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCC[N@@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395703 674403674 /nfs/dbraw/zinc/40/36/74/674403674.db2.gz ZEXLVVNBYDQRSB-IAGOWNOFSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCC[N@H+]1CCOC2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC000949395703 674403675 /nfs/dbraw/zinc/40/36/75/674403675.db2.gz ZEXLVVNBYDQRSB-IAGOWNOFSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000735399055 598530563 /nfs/dbraw/zinc/53/05/63/598530563.db2.gz OIGLJSHJALBSKD-CYBMUJFWSA-N 2 1 357.466 0.735 20 30 FCEDMP C[C@@H]1CN(C(C)(C)CNC(=[NH2+])NCCC[NH+]2CCOCC2)C[C@H](C)O1 ZINC000303773789 674571387 /nfs/dbraw/zinc/57/13/87/674571387.db2.gz FMPPESYNNWNSDG-IYBDPMFKSA-N 2 1 355.527 0.501 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000838622093 667946198 /nfs/dbraw/zinc/94/61/98/667946198.db2.gz MLQGMKXXSYOVAB-UHFFFAOYSA-N 2 1 352.479 0.122 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000838622093 667946200 /nfs/dbraw/zinc/94/62/00/667946200.db2.gz MLQGMKXXSYOVAB-UHFFFAOYSA-N 2 1 352.479 0.122 20 30 FCEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673827 675656967 /nfs/dbraw/zinc/65/69/67/675656967.db2.gz XNFPJYYBOFYMAR-IXDOHACOSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673827 675656970 /nfs/dbraw/zinc/65/69/70/675656970.db2.gz XNFPJYYBOFYMAR-IXDOHACOSA-N 2 1 351.491 0.879 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C)CC1 ZINC000988506002 1192237054 /nfs/dbraw/zinc/23/70/54/1192237054.db2.gz HTPFLTCIMBCNLJ-AEFFLSMTSA-N 2 1 371.485 0.642 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C)CC1 ZINC000988506001 1192237438 /nfs/dbraw/zinc/23/74/38/1192237438.db2.gz HRKDFWCLAXAXID-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2C)C1 ZINC001104305980 1169872837 /nfs/dbraw/zinc/87/28/37/1169872837.db2.gz DGIJNBPBSVPEEV-ZACQAIPSSA-N 2 1 358.490 0.487 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2ncnn2C)C1 ZINC001104305980 1169872839 /nfs/dbraw/zinc/87/28/39/1169872839.db2.gz DGIJNBPBSVPEEV-ZACQAIPSSA-N 2 1 358.490 0.487 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC000972860980 1180897547 /nfs/dbraw/zinc/89/75/47/1180897547.db2.gz LAEQPCRZXIHWEM-ZJPYXAASSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC000972860980 1180897551 /nfs/dbraw/zinc/89/75/51/1180897551.db2.gz LAEQPCRZXIHWEM-ZJPYXAASSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000974192940 1183044763 /nfs/dbraw/zinc/04/47/63/1183044763.db2.gz VBKFGFIICLGRLS-RZFLPCETSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000974192940 1183044772 /nfs/dbraw/zinc/04/47/72/1183044772.db2.gz VBKFGFIICLGRLS-RZFLPCETSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000974192940 1183044780 /nfs/dbraw/zinc/04/47/80/1183044780.db2.gz VBKFGFIICLGRLS-RZFLPCETSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000974192940 1183044787 /nfs/dbraw/zinc/04/47/87/1183044787.db2.gz VBKFGFIICLGRLS-RZFLPCETSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC000974731237 1183509237 /nfs/dbraw/zinc/50/92/37/1183509237.db2.gz ITOHOXNORCSREH-ZJPYXAASSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC000974731237 1183509240 /nfs/dbraw/zinc/50/92/40/1183509240.db2.gz ITOHOXNORCSREH-ZJPYXAASSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000974731237 1183509245 /nfs/dbraw/zinc/50/92/45/1183509245.db2.gz ITOHOXNORCSREH-ZJPYXAASSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC000974731237 1183509251 /nfs/dbraw/zinc/50/92/51/1183509251.db2.gz ITOHOXNORCSREH-ZJPYXAASSA-N 2 1 358.486 0.238 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2CC)C1=O ZINC001087830346 1189842043 /nfs/dbraw/zinc/84/20/43/1189842043.db2.gz AVGJDMWFKPKINF-GVDBMIGSSA-N 2 1 359.474 0.948 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2CC)C1=O ZINC001087830346 1189842046 /nfs/dbraw/zinc/84/20/46/1189842046.db2.gz AVGJDMWFKPKINF-GVDBMIGSSA-N 2 1 359.474 0.948 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCC3)[C@@H]2CC)CC1 ZINC001087839972 1189847208 /nfs/dbraw/zinc/84/72/08/1189847208.db2.gz BRCTZDUPEPKXIR-ZWKOTPCHSA-N 2 1 360.502 0.533 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887616 1191136258 /nfs/dbraw/zinc/13/62/58/1191136258.db2.gz XLNRNNAEGDVJFP-CGTJXYLNSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887616 1191136259 /nfs/dbraw/zinc/13/62/59/1191136259.db2.gz XLNRNNAEGDVJFP-CGTJXYLNSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887616 1191136261 /nfs/dbraw/zinc/13/62/61/1191136261.db2.gz XLNRNNAEGDVJFP-CGTJXYLNSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001691584754 1193739341 /nfs/dbraw/zinc/73/93/41/1193739341.db2.gz KHNZPCQEYZJMAN-ZACQAIPSSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001691584754 1193739344 /nfs/dbraw/zinc/73/93/44/1193739344.db2.gz KHNZPCQEYZJMAN-ZACQAIPSSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001691584754 1193739346 /nfs/dbraw/zinc/73/93/46/1193739346.db2.gz KHNZPCQEYZJMAN-ZACQAIPSSA-N 2 1 350.507 0.798 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015129 1195144190 /nfs/dbraw/zinc/14/41/90/1195144190.db2.gz CSJYLFFTMWLREC-MKXGPGLRSA-N 2 1 365.518 0.861 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccn(C)c(=O)c3)[C@@H]2C)CC1 ZINC001089059923 1196879442 /nfs/dbraw/zinc/87/94/42/1196879442.db2.gz IZTQBPUXVLDCIS-APWZRJJASA-N 2 1 370.497 0.810 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001085229643 1197714862 /nfs/dbraw/zinc/71/48/62/1197714862.db2.gz CJACFVJKRCULLJ-KURKYZTESA-N 2 1 360.502 0.723 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC001085229643 1197714871 /nfs/dbraw/zinc/71/48/71/1197714871.db2.gz CJACFVJKRCULLJ-KURKYZTESA-N 2 1 360.502 0.723 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106266289 1197806445 /nfs/dbraw/zinc/80/64/45/1197806445.db2.gz ALQDFXFRESEHJU-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N2CCCC2)[C@H](C)C1 ZINC001106266289 1197806452 /nfs/dbraw/zinc/80/64/52/1197806452.db2.gz ALQDFXFRESEHJU-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1 ZINC001106266646 1197807631 /nfs/dbraw/zinc/80/76/31/1197807631.db2.gz VUGLYNPOWSKSCW-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CC)[C@H](C)C1 ZINC001106266646 1197807635 /nfs/dbraw/zinc/80/76/35/1197807635.db2.gz VUGLYNPOWSKSCW-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083726914 1197829413 /nfs/dbraw/zinc/82/94/13/1197829413.db2.gz AHTZESINXJXBFN-FZDIXFNVSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083726914 1197829415 /nfs/dbraw/zinc/82/94/15/1197829415.db2.gz AHTZESINXJXBFN-FZDIXFNVSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083726914 1197829419 /nfs/dbraw/zinc/82/94/19/1197829419.db2.gz AHTZESINXJXBFN-FZDIXFNVSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083726914 1197829423 /nfs/dbraw/zinc/82/94/23/1197829423.db2.gz AHTZESINXJXBFN-FZDIXFNVSA-N 2 1 356.470 0.950 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571366 1198013882 /nfs/dbraw/zinc/01/38/82/1198013882.db2.gz WXJMTPJAGSWSTI-FGTMMUONSA-N 2 1 362.518 0.542 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C3)C1=O ZINC001109410614 1200252770 /nfs/dbraw/zinc/25/27/70/1200252770.db2.gz LZATXXWOIXZJHE-OWSLCNJRSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[N@H+](C)C2CCC2)C3)C1=O ZINC001109410614 1200252774 /nfs/dbraw/zinc/25/27/74/1200252774.db2.gz LZATXXWOIXZJHE-OWSLCNJRSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)C1=O ZINC001109410614 1200252776 /nfs/dbraw/zinc/25/27/76/1200252776.db2.gz LZATXXWOIXZJHE-OWSLCNJRSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C[NH+](C)C2CCC2)C3)C1=O ZINC001109410614 1200252780 /nfs/dbraw/zinc/25/27/80/1200252780.db2.gz LZATXXWOIXZJHE-OWSLCNJRSA-N 2 1 360.502 0.979 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538731 1200371142 /nfs/dbraw/zinc/37/11/42/1200371142.db2.gz PQCQKEMJKXKXAK-IBTBTWTJSA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538731 1200371147 /nfs/dbraw/zinc/37/11/47/1200371147.db2.gz PQCQKEMJKXKXAK-IBTBTWTJSA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538731 1200371153 /nfs/dbraw/zinc/37/11/53/1200371153.db2.gz PQCQKEMJKXKXAK-IBTBTWTJSA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538731 1200371159 /nfs/dbraw/zinc/37/11/59/1200371159.db2.gz PQCQKEMJKXKXAK-IBTBTWTJSA-N 2 1 359.470 0.221 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)CCC)C2 ZINC001112567719 1200801851 /nfs/dbraw/zinc/80/18/51/1200801851.db2.gz DXIOGUWTHJNIOJ-ZWOKBUDYSA-N 2 1 362.518 0.684 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298836 1201292662 /nfs/dbraw/zinc/29/26/62/1201292662.db2.gz RVXMTPGZPFEDJP-RXYDEIHYSA-N 2 1 362.518 0.798 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298836 1201292663 /nfs/dbraw/zinc/29/26/63/1201292663.db2.gz RVXMTPGZPFEDJP-RXYDEIHYSA-N 2 1 362.518 0.798 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298836 1201292666 /nfs/dbraw/zinc/29/26/66/1201292666.db2.gz RVXMTPGZPFEDJP-RXYDEIHYSA-N 2 1 362.518 0.798 20 30 FCEDMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O)[NH+](C)C ZINC001219875281 1224666549 /nfs/dbraw/zinc/66/65/49/1224666549.db2.gz XVOZIZYUZVLYIY-KURKYZTESA-N 2 1 360.458 0.590 20 30 FCEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O)[NH+](C)C ZINC001219875281 1224666554 /nfs/dbraw/zinc/66/65/54/1224666554.db2.gz XVOZIZYUZVLYIY-KURKYZTESA-N 2 1 360.458 0.590 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001130007654 1201476844 /nfs/dbraw/zinc/47/68/44/1201476844.db2.gz PCZJYKINWLDQSM-JQHSSLGASA-N 2 1 367.457 0.410 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130123110 1201511031 /nfs/dbraw/zinc/51/10/31/1201511031.db2.gz GWAIPERHFKBRNV-CVEARBPZSA-N 2 1 359.434 0.027 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132787 1201513046 /nfs/dbraw/zinc/51/30/46/1201513046.db2.gz PESGDMNENDHIOE-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132787 1201513049 /nfs/dbraw/zinc/51/30/49/1201513049.db2.gz PESGDMNENDHIOE-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[nH]1 ZINC001130244905 1201564556 /nfs/dbraw/zinc/56/45/56/1201564556.db2.gz QJKOKULOQJKQTL-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001130782957 1202793500 /nfs/dbraw/zinc/79/35/00/1202793500.db2.gz HDIKQSFKUHXZDV-QKPAOTATSA-N 2 1 374.489 0.594 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130782957 1202793505 /nfs/dbraw/zinc/79/35/05/1202793505.db2.gz HDIKQSFKUHXZDV-QKPAOTATSA-N 2 1 374.489 0.594 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130782957 1202793508 /nfs/dbraw/zinc/79/35/08/1202793508.db2.gz HDIKQSFKUHXZDV-QKPAOTATSA-N 2 1 374.489 0.594 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@H+](C)CC)n2)O1 ZINC001130813774 1202806038 /nfs/dbraw/zinc/80/60/38/1202806038.db2.gz XATPERILXIPGIJ-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@@H+](C)CC)n[nH]2)O1 ZINC001130813774 1202806040 /nfs/dbraw/zinc/80/60/40/1202806040.db2.gz XATPERILXIPGIJ-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@H+](C)CC)n[nH]2)O1 ZINC001130813774 1202806043 /nfs/dbraw/zinc/80/60/43/1202806043.db2.gz XATPERILXIPGIJ-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945878 1202827715 /nfs/dbraw/zinc/82/77/15/1202827715.db2.gz FIZIUKHWPIZWIL-JFIYKMOQSA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945878 1202827716 /nfs/dbraw/zinc/82/77/16/1202827716.db2.gz FIZIUKHWPIZWIL-JFIYKMOQSA-N 2 1 361.490 0.601 20 30 FCEDMP CC#CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316395 1202885501 /nfs/dbraw/zinc/88/55/01/1202885501.db2.gz HMIINNYHVUKMCY-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000815861569 1203055782 /nfs/dbraw/zinc/05/57/82/1203055782.db2.gz OMJAKBAAEMGKJN-UHFFFAOYSA-N 2 1 371.485 0.448 20 30 FCEDMP C#CCNC(=O)CC[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000818969032 1203147741 /nfs/dbraw/zinc/14/77/41/1203147741.db2.gz JOFNIMQGNZEZIZ-UHFFFAOYSA-N 2 1 372.469 0.577 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]2C)CC1 ZINC001093223598 1206062422 /nfs/dbraw/zinc/06/24/22/1206062422.db2.gz CDRLISRKLDZBLB-SOLBZPMBSA-N 2 1 362.518 0.492 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001093224445 1206063457 /nfs/dbraw/zinc/06/34/57/1206063457.db2.gz WLWBGIQULFOOQU-KBAYOESNSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]2C)CC1 ZINC001093224362 1206063550 /nfs/dbraw/zinc/06/35/50/1206063550.db2.gz SOEUZIFJRWZYQO-KBAYOESNSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](C)C1 ZINC001093832820 1206126778 /nfs/dbraw/zinc/12/67/78/1206126778.db2.gz BEWVGKNKCXJPLT-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccc(OC)nn2)[C@H](C)C1 ZINC001093832820 1206126779 /nfs/dbraw/zinc/12/67/79/1206126779.db2.gz BEWVGKNKCXJPLT-NUJGCVRESA-N 2 1 371.485 0.767 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)C1=O ZINC001093921404 1206150045 /nfs/dbraw/zinc/15/00/45/1206150045.db2.gz OEWMLKSSSZNOPO-OIISXLGYSA-N 2 1 359.474 0.663 20 30 FCEDMP CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187326333 1206520996 /nfs/dbraw/zinc/52/09/96/1206520996.db2.gz LSFHOUWKQSIKCU-GVDBMIGSSA-N 2 1 361.490 0.375 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001188971609 1207493371 /nfs/dbraw/zinc/49/33/71/1207493371.db2.gz YAFJUVVRHGTPHF-YESZJQIVSA-N 2 1 360.502 0.648 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317366 1207531870 /nfs/dbraw/zinc/53/18/70/1207531870.db2.gz MFWRMCHDBALKED-RYQLBKOJSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317366 1207531874 /nfs/dbraw/zinc/53/18/74/1207531874.db2.gz MFWRMCHDBALKED-RYQLBKOJSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189531007 1207567999 /nfs/dbraw/zinc/56/79/99/1207567999.db2.gz VYGCSNGEJHPYHF-OKZBNKHCSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189531007 1207568003 /nfs/dbraw/zinc/56/80/03/1207568003.db2.gz VYGCSNGEJHPYHF-OKZBNKHCSA-N 2 1 362.518 0.942 20 30 FCEDMP C[N@@H+](CC(=O)N[C@@H]1CN(Cc2ccc(F)c(C#N)c2)C[C@H]1O)C1CCC1 ZINC001193792096 1207889152 /nfs/dbraw/zinc/88/91/52/1207889152.db2.gz XGXJHHWRTUSJBH-QZTJIDSGSA-N 2 1 360.433 0.843 20 30 FCEDMP Cn1cc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cc1C#N ZINC001275455817 1211242204 /nfs/dbraw/zinc/24/22/04/1211242204.db2.gz QDXUKYUNKIRBMJ-IBGZPJMESA-N 2 1 359.474 0.509 20 30 FCEDMP Cn1cc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cc1C#N ZINC001275455817 1211242207 /nfs/dbraw/zinc/24/22/07/1211242207.db2.gz QDXUKYUNKIRBMJ-IBGZPJMESA-N 2 1 359.474 0.509 20 30 FCEDMP Cn1cc(C[N@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cc1C#N ZINC001275456007 1211242686 /nfs/dbraw/zinc/24/26/86/1211242686.db2.gz SQZBHGUIPBHLMG-IBGZPJMESA-N 2 1 357.458 0.799 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099691 1211880406 /nfs/dbraw/zinc/88/04/06/1211880406.db2.gz SEXVVNQTNRPUTG-HPBDAGMYSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001111099691 1211880408 /nfs/dbraw/zinc/88/04/08/1211880408.db2.gz SEXVVNQTNRPUTG-HPBDAGMYSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000949865068 1212475075 /nfs/dbraw/zinc/47/50/75/1212475075.db2.gz UXUZLKSTOQJLKB-PSBWJHGTSA-N 2 1 374.529 0.635 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013601 1225575556 /nfs/dbraw/zinc/57/55/56/1225575556.db2.gz HQARWTJRTMPGTO-KZNAEPCWSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013601 1225575558 /nfs/dbraw/zinc/57/55/58/1225575558.db2.gz HQARWTJRTMPGTO-KZNAEPCWSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013601 1225575560 /nfs/dbraw/zinc/57/55/60/1225575560.db2.gz HQARWTJRTMPGTO-KZNAEPCWSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013601 1225575563 /nfs/dbraw/zinc/57/55/63/1225575563.db2.gz HQARWTJRTMPGTO-KZNAEPCWSA-N 2 1 360.502 0.671 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2OC)CC1 ZINC001042843257 1217480591 /nfs/dbraw/zinc/48/05/91/1217480591.db2.gz LGOFCUVYSBFYDA-QZTJIDSGSA-N 2 1 371.485 0.758 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C(C)C)CC1 ZINC001111455012 1218846693 /nfs/dbraw/zinc/84/66/93/1218846693.db2.gz IFLUDMMBEDRCBH-QRVBRYPASA-N 2 1 374.529 0.920 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C(C)C)CC1 ZINC001111455012 1218846694 /nfs/dbraw/zinc/84/66/94/1218846694.db2.gz IFLUDMMBEDRCBH-QRVBRYPASA-N 2 1 374.529 0.920 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)NCCC)CC1 ZINC001111456438 1218867445 /nfs/dbraw/zinc/86/74/45/1218867445.db2.gz CPXMUWXKTHHUMP-AITUJVMLSA-N 2 1 374.529 0.968 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)NCCC)CC1 ZINC001111456438 1218867446 /nfs/dbraw/zinc/86/74/46/1218867446.db2.gz CPXMUWXKTHHUMP-AITUJVMLSA-N 2 1 374.529 0.968 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@@H](C)C#N)CC2)CC[N@H+]1C ZINC001055583490 1219087832 /nfs/dbraw/zinc/08/78/32/1219087832.db2.gz PUKXHSWZIWSLLR-BHYGNILZSA-N 2 1 363.506 0.573 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260552 1219330686 /nfs/dbraw/zinc/33/06/86/1219330686.db2.gz NBYIDNNSOMRBBC-IKGGRYGDSA-N 2 1 362.478 0.305 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001070260552 1219330690 /nfs/dbraw/zinc/33/06/90/1219330690.db2.gz NBYIDNNSOMRBBC-IKGGRYGDSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260795 1219331318 /nfs/dbraw/zinc/33/13/18/1219331318.db2.gz RSPQKBYIFGBSQX-UAGQMJEPSA-N 2 1 355.446 0.573 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1n1ccnn1 ZINC001070275368 1219342770 /nfs/dbraw/zinc/34/27/70/1219342770.db2.gz IQRKIZUBTXUGOS-SJORKVTESA-N 2 1 371.445 0.703 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001070378469 1219405429 /nfs/dbraw/zinc/40/54/29/1219405429.db2.gz RMQYPZWMFYIBKR-VPWXQRGCSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070681975 1219523174 /nfs/dbraw/zinc/52/31/74/1219523174.db2.gz DCFPTWROTBEYHO-NUJGCVRESA-N 2 1 361.490 0.599 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070681975 1219523178 /nfs/dbraw/zinc/52/31/78/1219523178.db2.gz DCFPTWROTBEYHO-NUJGCVRESA-N 2 1 361.490 0.599 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2C)C1 ZINC001099448117 1220000711 /nfs/dbraw/zinc/00/07/11/1220000711.db2.gz YXLLQHNTAMBVLZ-ZWOKBUDYSA-N 2 1 370.501 0.631 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2ncnn2C)C1 ZINC001099448117 1220000718 /nfs/dbraw/zinc/00/07/18/1220000718.db2.gz YXLLQHNTAMBVLZ-ZWOKBUDYSA-N 2 1 370.501 0.631 20 30 FCEDMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257593 1220250336 /nfs/dbraw/zinc/25/03/36/1220250336.db2.gz BUBZWYHDXCSSEU-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257593 1220250339 /nfs/dbraw/zinc/25/03/39/1220250339.db2.gz BUBZWYHDXCSSEU-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257593 1220250344 /nfs/dbraw/zinc/25/03/44/1220250344.db2.gz BUBZWYHDXCSSEU-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257593 1220250347 /nfs/dbraw/zinc/25/03/47/1220250347.db2.gz BUBZWYHDXCSSEU-MDZRGWNJSA-N 2 1 361.490 0.281 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101267700 1220256198 /nfs/dbraw/zinc/25/61/98/1220256198.db2.gz PKJXZYLUAVYEPY-FCEWJHQRSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@H](C)n3ccnc3)C[C@]2(C)C1 ZINC001101377009 1220308532 /nfs/dbraw/zinc/30/85/32/1220308532.db2.gz NTIHWRVZZIKMSQ-FCEWJHQRSA-N 2 1 357.458 0.364 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431517 1220340960 /nfs/dbraw/zinc/34/09/60/1220340960.db2.gz RIELCKNQOJIVES-MDZRGWNJSA-N 2 1 358.486 0.000 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473217 1220365737 /nfs/dbraw/zinc/36/57/37/1220365737.db2.gz LFXJTBVSPRTDTD-XLIONFOSSA-N 2 1 360.502 0.392 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478242 1220368432 /nfs/dbraw/zinc/36/84/32/1220368432.db2.gz FSOMHAFYHUYLMU-HLIPFELVSA-N 2 1 362.518 0.894 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478242 1220368433 /nfs/dbraw/zinc/36/84/33/1220368433.db2.gz FSOMHAFYHUYLMU-HLIPFELVSA-N 2 1 362.518 0.894 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478242 1220368437 /nfs/dbraw/zinc/36/84/37/1220368437.db2.gz FSOMHAFYHUYLMU-HLIPFELVSA-N 2 1 362.518 0.894 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040660 1220473229 /nfs/dbraw/zinc/47/32/29/1220473229.db2.gz QMAYJVKEKCLRPN-KZNAEPCWSA-N 2 1 362.518 0.398 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040660 1220473231 /nfs/dbraw/zinc/47/32/31/1220473231.db2.gz QMAYJVKEKCLRPN-KZNAEPCWSA-N 2 1 362.518 0.398 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040660 1220473234 /nfs/dbraw/zinc/47/32/34/1220473234.db2.gz QMAYJVKEKCLRPN-KZNAEPCWSA-N 2 1 362.518 0.398 20 30 FCEDMP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001229109343 1225980240 /nfs/dbraw/zinc/98/02/40/1225980240.db2.gz HHWSLSJJFFJFQS-HZPDHXFCSA-N 2 1 360.462 0.629 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102434128 1220623162 /nfs/dbraw/zinc/62/31/62/1220623162.db2.gz PSOFUPTVHPSDIH-JFIYKMOQSA-N 2 1 362.518 0.540 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515304 1220675090 /nfs/dbraw/zinc/67/50/90/1220675090.db2.gz NPEAXNZSHHKHCJ-HUUCEWRRSA-N 2 1 359.474 0.748 20 30 FCEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001103060583 1220826377 /nfs/dbraw/zinc/82/63/77/1220826377.db2.gz UCLNOTCWQBRRCJ-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103060583 1220826380 /nfs/dbraw/zinc/82/63/80/1220826380.db2.gz UCLNOTCWQBRRCJ-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP CCC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103060583 1220826381 /nfs/dbraw/zinc/82/63/81/1220826381.db2.gz UCLNOTCWQBRRCJ-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2C)CC1 ZINC001103751684 1220964205 /nfs/dbraw/zinc/96/42/05/1220964205.db2.gz MDUDSYTXSBKECU-QRQLOZEOSA-N 2 1 365.518 0.413 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111766756 1221097570 /nfs/dbraw/zinc/09/75/70/1221097570.db2.gz AZKHTGPDGZKENZ-BXWFABGCSA-N 2 1 368.497 0.939 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111766756 1221097573 /nfs/dbraw/zinc/09/75/73/1221097573.db2.gz AZKHTGPDGZKENZ-BXWFABGCSA-N 2 1 368.497 0.939 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947487 1221181625 /nfs/dbraw/zinc/18/16/25/1221181625.db2.gz LIHOKVZXRMGZOM-ZWOKBUDYSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103598 1221209647 /nfs/dbraw/zinc/20/96/47/1221209647.db2.gz PAJVYBGUDMSWJW-AAVRWANBSA-N 2 1 374.407 0.055 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103598 1221209649 /nfs/dbraw/zinc/20/96/49/1221209649.db2.gz PAJVYBGUDMSWJW-AAVRWANBSA-N 2 1 374.407 0.055 20 30 FCEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112428427 1221257772 /nfs/dbraw/zinc/25/77/72/1221257772.db2.gz HOZYPQQPFOSDIK-FCEWJHQRSA-N 2 1 361.490 0.329 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C2 ZINC001112436726 1221259140 /nfs/dbraw/zinc/25/91/40/1221259140.db2.gz BWANVAAWTSAHPD-JXFKEZNVSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(CC)CC)C[C@H]2C)CC1 ZINC001211307267 1223733827 /nfs/dbraw/zinc/73/38/27/1223733827.db2.gz QKJLOUSTANRGPB-SJLPKXTDSA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(CC)CC)C[C@H]2C)CC1 ZINC001211307267 1223733831 /nfs/dbraw/zinc/73/38/31/1223733831.db2.gz QKJLOUSTANRGPB-SJLPKXTDSA-N 2 1 362.518 0.637 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444220 1223742572 /nfs/dbraw/zinc/74/25/72/1223742572.db2.gz RVWJVMJPPCEYEI-FGTMMUONSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001211444220 1223742575 /nfs/dbraw/zinc/74/25/75/1223742575.db2.gz RVWJVMJPPCEYEI-FGTMMUONSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCCCC)C[C@H]2OC)CC1 ZINC001213919791 1223872326 /nfs/dbraw/zinc/87/23/26/1223872326.db2.gz AOOPRXKUCPGERD-RTBURBONSA-N 2 1 365.518 0.964 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539959 1224005164 /nfs/dbraw/zinc/00/51/64/1224005164.db2.gz FICIRGBAMHCWEC-SPYBWZPUSA-N 2 1 368.497 0.938 20 30 FCEDMP CCCC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216321232 1224044081 /nfs/dbraw/zinc/04/40/81/1224044081.db2.gz XSRNFJUGYVNDJE-BRWVUGGUSA-N 2 1 363.506 0.717 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000939887385 1246184514 /nfs/dbraw/zinc/18/45/14/1246184514.db2.gz NINCQMDAPOVEJK-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000939887385 1246184515 /nfs/dbraw/zinc/18/45/15/1246184515.db2.gz NINCQMDAPOVEJK-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996721652 1251425319 /nfs/dbraw/zinc/42/53/19/1251425319.db2.gz ZGKDTPYZTMWTJW-DJIMGWMZSA-N 2 1 364.490 0.073 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996721652 1251425322 /nfs/dbraw/zinc/42/53/22/1251425322.db2.gz ZGKDTPYZTMWTJW-DJIMGWMZSA-N 2 1 364.490 0.073 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)CC1 ZINC001001695247 1252306462 /nfs/dbraw/zinc/30/64/62/1252306462.db2.gz KUTUHTXVXPPNSR-YRXWBPOGSA-N 2 1 372.513 0.674 20 30 FCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001079130001 1255443862 /nfs/dbraw/zinc/44/38/62/1255443862.db2.gz RPTOVFAMCXQHMW-GUDVDZBRSA-N 2 1 359.470 0.577 20 30 FCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001079130001 1255443865 /nfs/dbraw/zinc/44/38/65/1255443865.db2.gz RPTOVFAMCXQHMW-GUDVDZBRSA-N 2 1 359.470 0.577 20 30 FCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274286 1255498871 /nfs/dbraw/zinc/49/88/71/1255498871.db2.gz LNNYHIFAPKBYDG-KSZLIROESA-N 2 1 363.502 0.833 20 30 FCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274286 1255498874 /nfs/dbraw/zinc/49/88/74/1255498874.db2.gz LNNYHIFAPKBYDG-KSZLIROESA-N 2 1 363.502 0.833 20 30 FCEDMP C=CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H](C)COC ZINC001330465617 1266033185 /nfs/dbraw/zinc/03/31/85/1266033185.db2.gz GSDVIHASEOKNLN-JKSUJKDBSA-N 2 1 366.506 0.321 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082458206 1256770268 /nfs/dbraw/zinc/77/02/68/1256770268.db2.gz CEINJORSFCVFEQ-FSPWUOQZSA-N 2 1 360.433 0.964 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082458206 1256770272 /nfs/dbraw/zinc/77/02/72/1256770272.db2.gz CEINJORSFCVFEQ-FSPWUOQZSA-N 2 1 360.433 0.964 20 30 FCEDMP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)C1 ZINC001084052944 1257864720 /nfs/dbraw/zinc/86/47/20/1257864720.db2.gz NHUWIMHZRSBMNV-NXHRZFHOSA-N 2 1 358.442 0.202 20 30 FCEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)C1 ZINC001084052944 1257864730 /nfs/dbraw/zinc/86/47/30/1257864730.db2.gz NHUWIMHZRSBMNV-NXHRZFHOSA-N 2 1 358.442 0.202 20 30 FCEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)C1 ZINC001084052944 1257864737 /nfs/dbraw/zinc/86/47/37/1257864737.db2.gz NHUWIMHZRSBMNV-NXHRZFHOSA-N 2 1 358.442 0.202 20 30 FCEDMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)C1 ZINC001084052944 1257864745 /nfs/dbraw/zinc/86/47/45/1257864745.db2.gz NHUWIMHZRSBMNV-NXHRZFHOSA-N 2 1 358.442 0.202 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088201265 1258724893 /nfs/dbraw/zinc/72/48/93/1258724893.db2.gz SQITULRHPRPXBI-SQNIBIBYSA-N 2 1 360.502 0.649 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001107038620 1259022921 /nfs/dbraw/zinc/02/29/21/1259022921.db2.gz AGARGEGMKBGHDF-IAGOWNOFSA-N 2 1 365.522 0.773 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249285 1259375649 /nfs/dbraw/zinc/37/56/49/1259375649.db2.gz VTKWJDRBPDFAKE-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001130249285 1259375655 /nfs/dbraw/zinc/37/56/55/1259375655.db2.gz VTKWJDRBPDFAKE-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001130249285 1259375662 /nfs/dbraw/zinc/37/56/62/1259375662.db2.gz VTKWJDRBPDFAKE-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249285 1259375671 /nfs/dbraw/zinc/37/56/71/1259375671.db2.gz VTKWJDRBPDFAKE-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249285 1259375680 /nfs/dbraw/zinc/37/56/80/1259375680.db2.gz VTKWJDRBPDFAKE-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200637047 1259418718 /nfs/dbraw/zinc/41/87/18/1259418718.db2.gz PLQMOLJWLHCEON-NVXWUHKLSA-N 2 1 363.506 0.669 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@H](OC)C1 ZINC001212496123 1259525214 /nfs/dbraw/zinc/52/52/14/1259525214.db2.gz ZYTCFOWVQRDSNS-QZTJIDSGSA-N 2 1 362.474 0.926 20 30 FCEDMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cccc(C#N)n1)CC2 ZINC001232923747 1259544181 /nfs/dbraw/zinc/54/41/81/1259544181.db2.gz HSFSPKVXIGDHHI-UHFFFAOYSA-N 2 1 370.501 0.623 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+]([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246700573 1259662356 /nfs/dbraw/zinc/66/23/56/1259662356.db2.gz YUQWZTQECJGQAV-FXAWDEMLSA-N 2 1 361.534 0.264 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+]([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246700582 1259662472 /nfs/dbraw/zinc/66/24/72/1259662472.db2.gz YUQWZTQECJGQAV-XLIONFOSSA-N 2 1 361.534 0.264 20 30 FCEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001251845079 1259767355 /nfs/dbraw/zinc/76/73/55/1259767355.db2.gz YWLZLYUTCWOMST-XUVXKRRUSA-N 2 1 365.518 0.258 20 30 FCEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001251845079 1259767362 /nfs/dbraw/zinc/76/73/62/1259767362.db2.gz YWLZLYUTCWOMST-XUVXKRRUSA-N 2 1 365.518 0.258 20 30 FCEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001251845079 1259767366 /nfs/dbraw/zinc/76/73/66/1259767366.db2.gz YWLZLYUTCWOMST-XUVXKRRUSA-N 2 1 365.518 0.258 20 30 FCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1=O ZINC001698988376 1289540618 /nfs/dbraw/zinc/54/06/18/1289540618.db2.gz ZPBUQXINVCSHAJ-BBWFWOEESA-N 2 1 350.507 0.894 20 30 FCEDMP C=CCN1CC[C@H]([NH+](C)CCN(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001698988376 1289540623 /nfs/dbraw/zinc/54/06/23/1289540623.db2.gz ZPBUQXINVCSHAJ-BBWFWOEESA-N 2 1 350.507 0.894 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001698988376 1289540628 /nfs/dbraw/zinc/54/06/28/1289540628.db2.gz ZPBUQXINVCSHAJ-BBWFWOEESA-N 2 1 350.507 0.894 20 30 FCEDMP C=CCN1CC[C@H]([N@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001698988376 1289540632 /nfs/dbraw/zinc/54/06/32/1289540632.db2.gz ZPBUQXINVCSHAJ-BBWFWOEESA-N 2 1 350.507 0.894 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001689451004 1294787413 /nfs/dbraw/zinc/78/74/13/1294787413.db2.gz LJTRSRFIJMEAMT-RYQLBKOJSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001691819644 1294928287 /nfs/dbraw/zinc/92/82/87/1294928287.db2.gz KEXJRAFKNXPUPD-WBVHZDCISA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@]2(C)C1 ZINC001101417560 844178630 /nfs/dbraw/zinc/17/86/30/844178630.db2.gz URQKXOXZRQCDHX-FCEWJHQRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101417560 844178637 /nfs/dbraw/zinc/17/86/37/844178637.db2.gz URQKXOXZRQCDHX-FCEWJHQRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@]2(C)C1 ZINC001101417560 844178642 /nfs/dbraw/zinc/17/86/42/844178642.db2.gz URQKXOXZRQCDHX-FCEWJHQRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102294351 844459485 /nfs/dbraw/zinc/45/94/85/844459485.db2.gz UUPRILUHUOEBCE-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102294352 844459793 /nfs/dbraw/zinc/45/97/93/844459793.db2.gz UUPRILUHUOEBCE-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375386 844478885 /nfs/dbraw/zinc/47/88/85/844478885.db2.gz GLWUORACNOHAEZ-HZPDHXFCSA-N 2 1 352.523 0.951 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375386 844478876 /nfs/dbraw/zinc/47/88/76/844478876.db2.gz GLWUORACNOHAEZ-HZPDHXFCSA-N 2 1 352.523 0.951 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375386 844478882 /nfs/dbraw/zinc/47/88/82/844478882.db2.gz GLWUORACNOHAEZ-HZPDHXFCSA-N 2 1 352.523 0.951 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C2)C1=O ZINC001102496688 844530988 /nfs/dbraw/zinc/53/09/88/844530988.db2.gz GQEFBMQQCOGQEM-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C2)C1=O ZINC001102496688 844530989 /nfs/dbraw/zinc/53/09/89/844530989.db2.gz GQEFBMQQCOGQEM-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C2)C1=O ZINC001102496688 844530990 /nfs/dbraw/zinc/53/09/90/844530990.db2.gz GQEFBMQQCOGQEM-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)C1=O ZINC001102600752 844592561 /nfs/dbraw/zinc/59/25/61/844592561.db2.gz TZGPLUZNAWGCFN-BRWVUGGUSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)C1=O ZINC001102600752 844592564 /nfs/dbraw/zinc/59/25/64/844592564.db2.gz TZGPLUZNAWGCFN-BRWVUGGUSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)C1=O ZINC001102600752 844592568 /nfs/dbraw/zinc/59/25/68/844592568.db2.gz TZGPLUZNAWGCFN-BRWVUGGUSA-N 2 1 350.507 0.798 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001103380166 844746164 /nfs/dbraw/zinc/74/61/64/844746164.db2.gz HNBHMPZFWQYWCV-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104873785 844954134 /nfs/dbraw/zinc/95/41/34/844954134.db2.gz FQKPFKBTAPQZIC-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112154537 846422408 /nfs/dbraw/zinc/42/24/08/846422408.db2.gz QBOUQCAAKHLHKH-CHWSQXEVSA-N 2 1 362.396 0.057 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159183 846425407 /nfs/dbraw/zinc/42/54/07/846425407.db2.gz UYWUYHZHKRQLGB-YNEHKIRRSA-N 2 1 362.396 0.055 20 30 FCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385318 848837285 /nfs/dbraw/zinc/83/72/85/848837285.db2.gz JTVPIUSXBKPDSP-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[NH+](C)C)[nH]1 ZINC001130234610 848982592 /nfs/dbraw/zinc/98/25/92/848982592.db2.gz DMMINRPSQVWFIS-STQMWFEESA-N 2 1 370.885 0.587 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234769 848983442 /nfs/dbraw/zinc/98/34/42/848983442.db2.gz KOOGYPFFNJYHMC-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234769 848983443 /nfs/dbraw/zinc/98/34/43/848983443.db2.gz KOOGYPFFNJYHMC-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)CCC)n2)O1 ZINC001130817327 849048784 /nfs/dbraw/zinc/04/87/84/849048784.db2.gz LYRUGWKGRXEDAV-UONOGXRCSA-N 2 1 350.467 0.758 20 30 FCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277713546 862025557 /nfs/dbraw/zinc/02/55/57/862025557.db2.gz VMNSSXZWPSUYTA-PKOBYXMFSA-N 2 1 351.491 0.263 20 30 FCEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277775314 862066297 /nfs/dbraw/zinc/06/62/97/862066297.db2.gz MUKPULLYCXBSMF-MJGOQNOKSA-N 2 1 353.507 0.816 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001181525604 851117811 /nfs/dbraw/zinc/11/78/11/851117811.db2.gz NOABLIVNAFGCIY-YKTARERQSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205335200 853603820 /nfs/dbraw/zinc/60/38/20/853603820.db2.gz VTIPCQKTZVEDAA-DLBZAZTESA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210040235 854072497 /nfs/dbraw/zinc/07/24/97/854072497.db2.gz DBSJMHLIHHJPNY-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210040235 854072501 /nfs/dbraw/zinc/07/25/01/854072501.db2.gz DBSJMHLIHHJPNY-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040235 854072505 /nfs/dbraw/zinc/07/25/05/854072505.db2.gz DBSJMHLIHHJPNY-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040235 854072509 /nfs/dbraw/zinc/07/25/09/854072509.db2.gz DBSJMHLIHHJPNY-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774389 855144634 /nfs/dbraw/zinc/14/46/34/855144634.db2.gz NVGDGIUISHGHMV-ZACQAIPSSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218048634 855392467 /nfs/dbraw/zinc/39/24/67/855392467.db2.gz ILUOMQIDOMUIJZ-IXDOHACOSA-N 2 1 357.470 0.781 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218048634 855392473 /nfs/dbraw/zinc/39/24/73/855392473.db2.gz ILUOMQIDOMUIJZ-IXDOHACOSA-N 2 1 357.470 0.781 20 30 FCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789583 855479360 /nfs/dbraw/zinc/47/93/60/855479360.db2.gz NKYXKFGQGMTESX-ZWKOTPCHSA-N 2 1 351.491 0.977 20 30 FCEDMP C=CCC[N@H+]1C[C@H]2OCCN(C(=O)CCCC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789583 855479366 /nfs/dbraw/zinc/47/93/66/855479366.db2.gz NKYXKFGQGMTESX-ZWKOTPCHSA-N 2 1 351.491 0.977 20 30 FCEDMP C=CCOC[C@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001252463393 857812317 /nfs/dbraw/zinc/81/23/17/857812317.db2.gz ODDHCLFBNUXZOV-GOSISDBHSA-N 2 1 353.507 0.815 20 30 FCEDMP C=CCN1CC[N@@H+](C)C2(CCN(C[C@H](O)C[NH+](CC)CC)CC2)C1=O ZINC001253185300 857870686 /nfs/dbraw/zinc/87/06/86/857870686.db2.gz FCVOYDXHINSNFU-QGZVFWFLSA-N 2 1 352.523 0.484 20 30 FCEDMP C=CCN1CC[N@H+](C)C2(CCN(C[C@H](O)C[NH+](CC)CC)CC2)C1=O ZINC001253185300 857870693 /nfs/dbraw/zinc/87/06/93/857870693.db2.gz FCVOYDXHINSNFU-QGZVFWFLSA-N 2 1 352.523 0.484 20 30 FCEDMP C[NH+]=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccco1 ZINC000103337814 530039510 /nfs/dbraw/zinc/03/95/10/530039510.db2.gz XGFFBYIBMFVKCJ-UHFFFAOYSA-N 2 1 357.462 0.947 20 30 FCEDMP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419869083 246337634 /nfs/dbraw/zinc/33/76/34/246337634.db2.gz IKFTZCASUGNFQD-UHFFFAOYSA-N 2 1 357.458 0.318 20 30 FCEDMP CC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419869083 246337640 /nfs/dbraw/zinc/33/76/40/246337640.db2.gz IKFTZCASUGNFQD-UHFFFAOYSA-N 2 1 357.458 0.318 20 30 FCEDMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419935691 246377694 /nfs/dbraw/zinc/37/76/94/246377694.db2.gz CWDACWDOOVTGSC-HNNXBMFYSA-N 2 1 357.458 0.304 20 30 FCEDMP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419935691 246377701 /nfs/dbraw/zinc/37/77/01/246377701.db2.gz CWDACWDOOVTGSC-HNNXBMFYSA-N 2 1 357.458 0.304 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179737996 229228853 /nfs/dbraw/zinc/22/88/53/229228853.db2.gz UHZMHBULWMSKSN-UHFFFAOYSA-N 3 1 360.506 0.925 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccnc(N2CCOCC2)c1 ZINC000264064816 229321991 /nfs/dbraw/zinc/32/19/91/229321991.db2.gz DSPYXYRDAXKFRQ-UHFFFAOYSA-N 2 1 362.478 0.045 20 30 FCEDMP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[N@@H+](C)C1 ZINC000329097987 488969094 /nfs/dbraw/zinc/96/90/94/488969094.db2.gz YRKXNZVULCXDJU-WNRNVDISSA-N 2 1 368.522 0.929 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000076971790 488407798 /nfs/dbraw/zinc/40/77/98/488407798.db2.gz HBLJNPXLRPCXJP-HNNXBMFYSA-N 2 1 351.495 0.523 20 30 FCEDMP C[C@](O)(CNC(=O)[C@H]1COCCN1C1CCCC1)C[NH+]1CCOCC1 ZINC000329270337 488987514 /nfs/dbraw/zinc/98/75/14/488987514.db2.gz HJSUSCDNHAEJDW-AEFFLSMTSA-N 2 1 355.479 0.670 20 30 FCEDMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000329327549 488993401 /nfs/dbraw/zinc/99/34/01/488993401.db2.gz XGRKQJUFNFGPOE-INIZCTEOSA-N 2 1 363.506 0.623 20 30 FCEDMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000329327549 488993406 /nfs/dbraw/zinc/99/34/06/488993406.db2.gz XGRKQJUFNFGPOE-INIZCTEOSA-N 2 1 363.506 0.623 20 30 FCEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000330138238 489073031 /nfs/dbraw/zinc/07/30/31/489073031.db2.gz VJYSLLJDZMADEC-OAHLLOKOSA-N 2 1 369.535 0.188 20 30 FCEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000330138238 489073034 /nfs/dbraw/zinc/07/30/34/489073034.db2.gz VJYSLLJDZMADEC-OAHLLOKOSA-N 2 1 369.535 0.188 20 30 FCEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000330141346 489073044 /nfs/dbraw/zinc/07/30/44/489073044.db2.gz PXVPHJFGIHFSGV-BRWVUGGUSA-N 2 1 363.506 0.766 20 30 FCEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000330141346 489073047 /nfs/dbraw/zinc/07/30/47/489073047.db2.gz PXVPHJFGIHFSGV-BRWVUGGUSA-N 2 1 363.506 0.766 20 30 FCEDMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000330141346 489073050 /nfs/dbraw/zinc/07/30/50/489073050.db2.gz PXVPHJFGIHFSGV-BRWVUGGUSA-N 2 1 363.506 0.766 20 30 FCEDMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000330242624 489083369 /nfs/dbraw/zinc/08/33/69/489083369.db2.gz GEVQDVSQGYGYAI-NVXWUHKLSA-N 2 1 353.511 0.331 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000286678657 489417371 /nfs/dbraw/zinc/41/73/71/489417371.db2.gz OSSUOOKDOVANML-UHFFFAOYSA-N 2 1 362.478 0.259 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000420120132 489919013 /nfs/dbraw/zinc/91/90/13/489919013.db2.gz JQKWJFTZKTUBIF-UHFFFAOYSA-N 2 1 369.469 0.590 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000420120132 489919014 /nfs/dbraw/zinc/91/90/14/489919014.db2.gz JQKWJFTZKTUBIF-UHFFFAOYSA-N 2 1 369.469 0.590 20 30 FCEDMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCc2cccc(C#N)c2)CC1 ZINC000507359180 490203889 /nfs/dbraw/zinc/20/38/89/490203889.db2.gz OOXDDJBGPPZPFI-UHFFFAOYSA-N 2 1 371.485 0.564 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000567047503 491482390 /nfs/dbraw/zinc/48/23/90/491482390.db2.gz FSZQTVMGCLLOBF-MRXNPFEDSA-N 2 1 372.473 0.766 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000567600041 491516873 /nfs/dbraw/zinc/51/68/73/491516873.db2.gz FAIPPVUBCRTRKG-MRXNPFEDSA-N 2 1 350.507 0.943 20 30 FCEDMP C(#CC[N@H+]1CCC[C@H](n2ccnn2)C1)CN1CCC[C@H](n2ccnn2)C1 ZINC000582901894 491831393 /nfs/dbraw/zinc/83/13/93/491831393.db2.gz RKGPITYTEZALAY-ROUUACIJSA-N 2 1 354.462 0.847 20 30 FCEDMP C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)CCCN1CC[NH+](C)CC1 ZINC000625274945 492749730 /nfs/dbraw/zinc/74/97/30/492749730.db2.gz KGHKQIAPOWHEKA-UHFFFAOYSA-N 2 1 368.481 0.855 20 30 FCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262498588 526355891 /nfs/dbraw/zinc/35/58/91/526355891.db2.gz XJEMOZIXKJSOGV-SFHVURJKSA-N 3 1 350.555 0.760 20 30 FCEDMP C[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155847364 526377511 /nfs/dbraw/zinc/37/75/11/526377511.db2.gz NLTHXUGALFNBMJ-CQSZACIVSA-N 2 1 359.478 0.128 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261811476 528809217 /nfs/dbraw/zinc/80/92/17/528809217.db2.gz STVLKKUDRIJMCZ-HNNXBMFYSA-N 2 1 373.505 0.519 20 30 FCEDMP CC[NH+]=C(NC[C@H]1C[N@@H+](CC(C)C)CCO1)N1CCN(C(C)=O)CC1 ZINC000263280047 528814079 /nfs/dbraw/zinc/81/40/79/528814079.db2.gz ZVSSCGYZFWWPSZ-KRWDZBQOSA-N 2 1 353.511 0.473 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C)CC1 ZINC000988507921 1192238831 /nfs/dbraw/zinc/23/88/31/1192238831.db2.gz XWBJRXWEOOQWKV-QAPCUYQASA-N 2 1 371.485 0.642 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1 ZINC001104306185 1169873143 /nfs/dbraw/zinc/87/31/43/1169873143.db2.gz PGXJCPYOVFWFIH-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N(C)CC)C1 ZINC001104306185 1169873144 /nfs/dbraw/zinc/87/31/44/1169873144.db2.gz PGXJCPYOVFWFIH-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001104306209 1169873892 /nfs/dbraw/zinc/87/38/92/1169873892.db2.gz QPXRRKDSIZVARJ-NUJGCVRESA-N 2 1 358.490 0.487 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2cnnn2C)C1 ZINC001104306209 1169873893 /nfs/dbraw/zinc/87/38/93/1169873893.db2.gz QPXRRKDSIZVARJ-NUJGCVRESA-N 2 1 358.490 0.487 20 30 FCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579402 1182205217 /nfs/dbraw/zinc/20/52/17/1182205217.db2.gz BMNHHDRGVMRFBB-GUDVDZBRSA-N 2 1 365.518 0.820 20 30 FCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579402 1182205225 /nfs/dbraw/zinc/20/52/25/1182205225.db2.gz BMNHHDRGVMRFBB-GUDVDZBRSA-N 2 1 365.518 0.820 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000974187884 1183036528 /nfs/dbraw/zinc/03/65/28/1183036528.db2.gz ZMCAAZRHCJHVRW-NRSFXHEJSA-N 2 1 360.502 0.435 20 30 FCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001105067051 1183101379 /nfs/dbraw/zinc/10/13/79/1183101379.db2.gz LDCCSAKEBIZXON-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2CC)C1=O ZINC001087799141 1189828466 /nfs/dbraw/zinc/82/84/66/1189828466.db2.gz FWFRVOZKUAMNAB-GVDBMIGSSA-N 2 1 360.502 0.838 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cncn4C)C[C@H]32)CC1 ZINC001076604910 1194593241 /nfs/dbraw/zinc/59/32/41/1194593241.db2.gz XNFJCZSCZWYHOK-PKOBYXMFSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cncn4C)C[C@H]32)CC1 ZINC001076604910 1194593247 /nfs/dbraw/zinc/59/32/47/1194593247.db2.gz XNFJCZSCZWYHOK-PKOBYXMFSA-N 2 1 355.486 0.798 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C#N)CC[NH+]1C ZINC000912536506 1196350246 /nfs/dbraw/zinc/35/02/46/1196350246.db2.gz VTYSTUIFJOGUFL-NQNKBUKLSA-N 2 1 361.490 0.230 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H](C#N)C2)CC[NH+]1C ZINC000912536506 1196350251 /nfs/dbraw/zinc/35/02/51/1196350251.db2.gz VTYSTUIFJOGUFL-NQNKBUKLSA-N 2 1 361.490 0.230 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H](C#N)C2)CC[NH+]1C ZINC000912536506 1196350256 /nfs/dbraw/zinc/35/02/56/1196350256.db2.gz VTYSTUIFJOGUFL-NQNKBUKLSA-N 2 1 361.490 0.230 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C#N)CC[NH+]1C ZINC000912536508 1196350380 /nfs/dbraw/zinc/35/03/80/1196350380.db2.gz VTYSTUIFJOGUFL-WRQOLXDDSA-N 2 1 361.490 0.230 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](C#N)C2)CC[NH+]1C ZINC000912536508 1196350386 /nfs/dbraw/zinc/35/03/86/1196350386.db2.gz VTYSTUIFJOGUFL-WRQOLXDDSA-N 2 1 361.490 0.230 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](C#N)C2)CC[NH+]1C ZINC000912536508 1196350389 /nfs/dbraw/zinc/35/03/89/1196350389.db2.gz VTYSTUIFJOGUFL-WRQOLXDDSA-N 2 1 361.490 0.230 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H]3CCc4ncnn43)[C@@H]2C)CC1 ZINC001089059458 1196879142 /nfs/dbraw/zinc/87/91/42/1196879142.db2.gz MYFWAGCYKDDUNB-NJAFHUGGSA-N 2 1 370.501 0.690 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001085229631 1197716433 /nfs/dbraw/zinc/71/64/33/1197716433.db2.gz BWBPZANVMYETQQ-QRVBRYPASA-N 2 1 370.497 1.000 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccn(C)c(=O)c1 ZINC001085229631 1197716440 /nfs/dbraw/zinc/71/64/40/1197716440.db2.gz BWBPZANVMYETQQ-QRVBRYPASA-N 2 1 370.497 1.000 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249446 1197782656 /nfs/dbraw/zinc/78/26/56/1197782656.db2.gz HZBVMYQELACNKX-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCC[C@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385126 1200093636 /nfs/dbraw/zinc/09/36/36/1200093636.db2.gz JBVMUOFKPFMVQN-BBWFWOEESA-N 2 1 364.494 0.553 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538732 1200371472 /nfs/dbraw/zinc/37/14/72/1200371472.db2.gz PQCQKEMJKXKXAK-OWEAFNKSSA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538732 1200371483 /nfs/dbraw/zinc/37/14/83/1200371483.db2.gz PQCQKEMJKXKXAK-OWEAFNKSSA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538732 1200371492 /nfs/dbraw/zinc/37/14/92/1200371492.db2.gz PQCQKEMJKXKXAK-OWEAFNKSSA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538732 1200371501 /nfs/dbraw/zinc/37/15/01/1200371501.db2.gz PQCQKEMJKXKXAK-OWEAFNKSSA-N 2 1 359.470 0.221 20 30 FCEDMP C#CCNC(=O)C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000771755914 1200630313 /nfs/dbraw/zinc/63/03/13/1200630313.db2.gz KGSWSLAKFMPHEK-LJQANCHMSA-N 2 1 370.497 0.867 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112563512 1200796219 /nfs/dbraw/zinc/79/62/19/1200796219.db2.gz YXBYBSBMBSYCIL-ZWOKBUDYSA-N 2 1 360.502 0.296 20 30 FCEDMP C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000787301773 1200877929 /nfs/dbraw/zinc/87/79/29/1200877929.db2.gz DPEXBRWZBDSELW-RTBURBONSA-N 2 1 364.534 0.490 20 30 FCEDMP C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000787301773 1200877932 /nfs/dbraw/zinc/87/79/32/1200877932.db2.gz DPEXBRWZBDSELW-RTBURBONSA-N 2 1 364.534 0.490 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001130012113 1201471431 /nfs/dbraw/zinc/47/14/31/1201471431.db2.gz PHQRBCSQONVEHR-ZACQAIPSSA-N 2 1 362.478 0.307 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)CCC)n1 ZINC001130249226 1201568951 /nfs/dbraw/zinc/56/89/51/1201568951.db2.gz QMIIBUBBUIIPKN-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[nH]1 ZINC001130249226 1201568957 /nfs/dbraw/zinc/56/89/57/1201568957.db2.gz QMIIBUBBUIIPKN-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[nH]1 ZINC001130249226 1201568960 /nfs/dbraw/zinc/56/89/60/1201568960.db2.gz QMIIBUBBUIIPKN-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP CCCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033797 1224732925 /nfs/dbraw/zinc/73/29/25/1224732925.db2.gz JACBGUDHWFIEGM-PBIMCDDKSA-N 2 1 365.518 0.981 20 30 FCEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033797 1224732930 /nfs/dbraw/zinc/73/29/30/1224732930.db2.gz JACBGUDHWFIEGM-PBIMCDDKSA-N 2 1 365.518 0.981 20 30 FCEDMP CCCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220033797 1224732935 /nfs/dbraw/zinc/73/29/35/1224732935.db2.gz JACBGUDHWFIEGM-PBIMCDDKSA-N 2 1 365.518 0.981 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130610336 1202730231 /nfs/dbraw/zinc/73/02/31/1202730231.db2.gz JEQUFGZLHPMTDX-JQHSSLGASA-N 2 1 359.474 0.048 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOC)C1 ZINC001130610336 1202730232 /nfs/dbraw/zinc/73/02/32/1202730232.db2.gz JEQUFGZLHPMTDX-JQHSSLGASA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001130692481 1202754545 /nfs/dbraw/zinc/75/45/45/1202754545.db2.gz MRXMNJTYDJHNPA-FUHWJXTLSA-N 2 1 359.474 0.050 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cn(C)cn1 ZINC001130736536 1202769200 /nfs/dbraw/zinc/76/92/00/1202769200.db2.gz GSANZBJSDNUJAV-FUHWJXTLSA-N 2 1 361.490 0.294 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130816383 1202807084 /nfs/dbraw/zinc/80/70/84/1202807084.db2.gz UIRODRCIRIDYDJ-SOUVJXGZSA-N 2 1 360.462 0.206 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130816383 1202807085 /nfs/dbraw/zinc/80/70/85/1202807085.db2.gz UIRODRCIRIDYDJ-SOUVJXGZSA-N 2 1 360.462 0.206 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130816383 1202807088 /nfs/dbraw/zinc/80/70/88/1202807088.db2.gz UIRODRCIRIDYDJ-SOUVJXGZSA-N 2 1 360.462 0.206 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817557 1202808411 /nfs/dbraw/zinc/80/84/11/1202808411.db2.gz SKWQLBALMUHFDU-SOUVJXGZSA-N 2 1 360.462 0.206 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817762 1202808565 /nfs/dbraw/zinc/80/85/65/1202808565.db2.gz YQQHXPWPMKSAJU-QLFBSQMISA-N 2 1 360.462 0.206 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817762 1202808567 /nfs/dbraw/zinc/80/85/67/1202808567.db2.gz YQQHXPWPMKSAJU-QLFBSQMISA-N 2 1 360.462 0.206 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817762 1202808570 /nfs/dbraw/zinc/80/85/70/1202808570.db2.gz YQQHXPWPMKSAJU-QLFBSQMISA-N 2 1 360.462 0.206 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131126001 1202866659 /nfs/dbraw/zinc/86/66/59/1202866659.db2.gz RCRWJYLYXPTXRC-JFIYKMOQSA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131126001 1202866660 /nfs/dbraw/zinc/86/66/60/1202866660.db2.gz RCRWJYLYXPTXRC-JFIYKMOQSA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131126002 1202866749 /nfs/dbraw/zinc/86/67/49/1202866749.db2.gz RCRWJYLYXPTXRC-NUJGCVRESA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131126002 1202866750 /nfs/dbraw/zinc/86/67/50/1202866750.db2.gz RCRWJYLYXPTXRC-NUJGCVRESA-N 2 1 359.474 0.048 20 30 FCEDMP C#C[C@](C)([NH3+])C(=O)n1c2ncnc-2c(OCc2ccc(C[NH3+])cc2)nc1N ZINC001220120484 1224776811 /nfs/dbraw/zinc/77/68/11/1224776811.db2.gz DSBKJQZAIWSWCX-SFHVURJKSA-N 2 1 365.397 0.267 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1cnn(C)c1 ZINC001086993731 1204885171 /nfs/dbraw/zinc/88/51/71/1204885171.db2.gz OOMZDUDOYCAZIG-ZYSHUDEJSA-N 2 1 366.469 0.705 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccn(C)n3)C[C@H]2C)CC1 ZINC001093224225 1206062767 /nfs/dbraw/zinc/06/27/67/1206062767.db2.gz OEAVVZOKLCFKEY-SJLPKXTDSA-N 2 1 357.502 0.949 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC001093224403 1206063153 /nfs/dbraw/zinc/06/31/53/1206063153.db2.gz UXXQBHLIHSMRBJ-RHSMWYFYSA-N 2 1 359.474 0.907 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nnc(C)o3)C[C@H]2C)CC1 ZINC001093224403 1206063155 /nfs/dbraw/zinc/06/31/55/1206063155.db2.gz UXXQBHLIHSMRBJ-RHSMWYFYSA-N 2 1 359.474 0.907 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCOC)CC1 ZINC001110147275 1206093043 /nfs/dbraw/zinc/09/30/43/1206093043.db2.gz UORNFHGZUUUKFS-QYZOEREBSA-N 2 1 363.502 0.716 20 30 FCEDMP CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C2 ZINC001110386229 1206509413 /nfs/dbraw/zinc/50/94/13/1206509413.db2.gz KFSKMFHCIKGIKK-NCOADZHNSA-N 2 1 361.490 0.564 20 30 FCEDMP CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CCCN1C)C2 ZINC001110386229 1206509415 /nfs/dbraw/zinc/50/94/15/1206509415.db2.gz KFSKMFHCIKGIKK-NCOADZHNSA-N 2 1 361.490 0.564 20 30 FCEDMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001198020877 1208214802 /nfs/dbraw/zinc/21/48/02/1208214802.db2.gz QLJNDIPFUPKUHL-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001198020877 1208214805 /nfs/dbraw/zinc/21/48/05/1208214805.db2.gz QLJNDIPFUPKUHL-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001198020877 1208214808 /nfs/dbraw/zinc/21/48/08/1208214808.db2.gz QLJNDIPFUPKUHL-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001198020877 1208214810 /nfs/dbraw/zinc/21/48/10/1208214810.db2.gz QLJNDIPFUPKUHL-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000883668075 1210684068 /nfs/dbraw/zinc/68/40/68/1210684068.db2.gz MYUCEYSOBHLRGY-UHFFFAOYSA-N 2 1 363.506 0.457 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000884205357 1210722600 /nfs/dbraw/zinc/72/26/00/1210722600.db2.gz UCKXTPRAQAGHGO-SJORKVTESA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000884205357 1210722603 /nfs/dbraw/zinc/72/26/03/1210722603.db2.gz UCKXTPRAQAGHGO-SJORKVTESA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000884205357 1210722608 /nfs/dbraw/zinc/72/26/08/1210722608.db2.gz UCKXTPRAQAGHGO-SJORKVTESA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000884205357 1210722612 /nfs/dbraw/zinc/72/26/12/1210722612.db2.gz UCKXTPRAQAGHGO-SJORKVTESA-N 2 1 363.506 0.326 20 30 FCEDMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](CCc3ccc(C#N)cc3)C2)OCC1=O ZINC001276303475 1212932669 /nfs/dbraw/zinc/93/26/69/1212932669.db2.gz XDPGLJZOKUWSMK-FQEVSTJZSA-N 2 1 356.470 0.966 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000954412076 1213071357 /nfs/dbraw/zinc/07/13/57/1213071357.db2.gz ZZGJSOTWNHCYAP-CRAIPNDOSA-N 2 1 360.502 0.341 20 30 FCEDMP C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000304744857 1213491556 /nfs/dbraw/zinc/49/15/56/1213491556.db2.gz DWLPQIPOISJLSH-OAHLLOKOSA-N 2 1 369.510 0.822 20 30 FCEDMP COc1cc(OC)cc(OCCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000305076340 1213523152 /nfs/dbraw/zinc/52/31/52/1213523152.db2.gz RMLDVSKSGIPWNR-UHFFFAOYSA-N 2 1 366.462 0.709 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@H]2O)CC1 ZINC001041062454 1214684533 /nfs/dbraw/zinc/68/45/33/1214684533.db2.gz ZVOGMBPZUNXNMD-IAGOWNOFSA-N 2 1 357.458 0.104 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000965950043 1215149831 /nfs/dbraw/zinc/14/98/31/1215149831.db2.gz INWDPRCWQBTYNI-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000965950043 1215149832 /nfs/dbraw/zinc/14/98/32/1215149832.db2.gz INWDPRCWQBTYNI-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000965950043 1215149835 /nfs/dbraw/zinc/14/98/35/1215149835.db2.gz INWDPRCWQBTYNI-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000965950043 1215149836 /nfs/dbraw/zinc/14/98/36/1215149836.db2.gz INWDPRCWQBTYNI-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP CCN(CCC#N)C(=O)CN1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001222049511 1225591086 /nfs/dbraw/zinc/59/10/86/1225591086.db2.gz DMBLLTMIIYBIGL-IAGOWNOFSA-N 2 1 363.506 0.621 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)CC[N@@H+]1C ZINC001222716178 1225648066 /nfs/dbraw/zinc/64/80/66/1225648066.db2.gz SXJKWJTUTIAGBU-TWMKSMIVSA-N 2 1 361.490 0.279 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NCC#N)[C@H]3C2)CC[N@H+]1C ZINC001222716178 1225648071 /nfs/dbraw/zinc/64/80/71/1225648071.db2.gz SXJKWJTUTIAGBU-TWMKSMIVSA-N 2 1 361.490 0.279 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NCC#N)[C@H]3C2)CC[NH+]1C ZINC001222716178 1225648072 /nfs/dbraw/zinc/64/80/72/1225648072.db2.gz SXJKWJTUTIAGBU-TWMKSMIVSA-N 2 1 361.490 0.279 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NCC#N)[C@H]3C2)CC[NH+]1C ZINC001222716178 1225648077 /nfs/dbraw/zinc/64/80/77/1225648077.db2.gz SXJKWJTUTIAGBU-TWMKSMIVSA-N 2 1 361.490 0.279 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006255 1216893027 /nfs/dbraw/zinc/89/30/27/1216893027.db2.gz MFZYDDHFLHMANS-KSZLIROESA-N 2 1 358.490 0.765 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006255 1216893029 /nfs/dbraw/zinc/89/30/29/1216893029.db2.gz MFZYDDHFLHMANS-KSZLIROESA-N 2 1 358.490 0.765 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@@H](n2ccnn2)C1 ZINC001070006255 1216893030 /nfs/dbraw/zinc/89/30/30/1216893030.db2.gz MFZYDDHFLHMANS-KSZLIROESA-N 2 1 358.490 0.765 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001047386233 1218137807 /nfs/dbraw/zinc/13/78/07/1218137807.db2.gz PGEYJGQQZNDATG-OAOYMFHYSA-N 2 1 356.470 0.902 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001047386233 1218137809 /nfs/dbraw/zinc/13/78/09/1218137809.db2.gz PGEYJGQQZNDATG-OAOYMFHYSA-N 2 1 356.470 0.902 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001047386233 1218137812 /nfs/dbraw/zinc/13/78/12/1218137812.db2.gz PGEYJGQQZNDATG-OAOYMFHYSA-N 2 1 356.470 0.902 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001047386233 1218137815 /nfs/dbraw/zinc/13/78/15/1218137815.db2.gz PGEYJGQQZNDATG-OAOYMFHYSA-N 2 1 356.470 0.902 20 30 FCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537517 1218159426 /nfs/dbraw/zinc/15/94/26/1218159426.db2.gz NKRSNFSOMGDCOC-FYQPLNBISA-N 2 1 355.482 0.859 20 30 FCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537517 1218159432 /nfs/dbraw/zinc/15/94/32/1218159432.db2.gz NKRSNFSOMGDCOC-FYQPLNBISA-N 2 1 355.482 0.859 20 30 FCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537517 1218159435 /nfs/dbraw/zinc/15/94/35/1218159435.db2.gz NKRSNFSOMGDCOC-FYQPLNBISA-N 2 1 355.482 0.859 20 30 FCEDMP CC#CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001047537517 1218159440 /nfs/dbraw/zinc/15/94/40/1218159440.db2.gz NKRSNFSOMGDCOC-FYQPLNBISA-N 2 1 355.482 0.859 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@@H]1n1ccnn1 ZINC001070196766 1219287597 /nfs/dbraw/zinc/28/75/97/1219287597.db2.gz KORCBVRPEHVKBX-OAGGEKHMSA-N 2 1 355.446 0.663 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199310 1219288328 /nfs/dbraw/zinc/28/83/28/1219288328.db2.gz REHKTQZQOIRDJX-IKGGRYGDSA-N 2 1 370.461 0.609 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199310 1219288331 /nfs/dbraw/zinc/28/83/31/1219288331.db2.gz REHKTQZQOIRDJX-IKGGRYGDSA-N 2 1 370.461 0.609 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070209099 1219294890 /nfs/dbraw/zinc/29/48/90/1219294890.db2.gz MDBRRWBPYXRTSV-SQNIBIBYSA-N 2 1 356.474 0.660 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070275548 1219342854 /nfs/dbraw/zinc/34/28/54/1219342854.db2.gz RYVIFIJDZACVRF-OIISXLGYSA-N 2 1 355.446 0.573 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070381651 1219407186 /nfs/dbraw/zinc/40/71/86/1219407186.db2.gz NDGQUSQICOWGRB-VPWXQRGCSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=C)C)C1 ZINC001070502443 1219442207 /nfs/dbraw/zinc/44/22/07/1219442207.db2.gz QWVJZAWJCIOVPH-UHOSZYNNSA-N 2 1 355.486 0.978 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=C)C)C1 ZINC001070502443 1219442209 /nfs/dbraw/zinc/44/22/09/1219442209.db2.gz QWVJZAWJCIOVPH-UHOSZYNNSA-N 2 1 355.486 0.978 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001070534891 1219457899 /nfs/dbraw/zinc/45/78/99/1219457899.db2.gz SPBYUDXFTHATJU-HHXXYDBFSA-N 2 1 366.469 0.705 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCN(C)C2=O)CC1 ZINC001098461319 1219787332 /nfs/dbraw/zinc/78/73/32/1219787332.db2.gz WHLDECPTJFCTPZ-BDXSIMOUSA-N 2 1 358.486 0.284 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCN(C)C2=O)CC1 ZINC001098461319 1219787335 /nfs/dbraw/zinc/78/73/35/1219787335.db2.gz WHLDECPTJFCTPZ-BDXSIMOUSA-N 2 1 358.486 0.284 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@@H+](CCn2cncn2)C3)CC1 ZINC001099174536 1219940437 /nfs/dbraw/zinc/94/04/37/1219940437.db2.gz RUCAQSNWQIFNGP-ICSRJNTNSA-N 2 1 370.501 0.594 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101231375 1220236503 /nfs/dbraw/zinc/23/65/03/1220236503.db2.gz ZELPYMHOZDLOMZ-UWVAXJGDSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@]2(C)C1 ZINC001101231375 1220236507 /nfs/dbraw/zinc/23/65/07/1220236507.db2.gz ZELPYMHOZDLOMZ-UWVAXJGDSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271107 1220258410 /nfs/dbraw/zinc/25/84/10/1220258410.db2.gz FEWHODCPSVDVAB-UWVAXJGDSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271107 1220258414 /nfs/dbraw/zinc/25/84/14/1220258414.db2.gz FEWHODCPSVDVAB-UWVAXJGDSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271107 1220258417 /nfs/dbraw/zinc/25/84/17/1220258417.db2.gz FEWHODCPSVDVAB-UWVAXJGDSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339929 1220293114 /nfs/dbraw/zinc/29/31/14/1220293114.db2.gz MMDXURJKCNMDQA-LJCCNALRSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339929 1220293115 /nfs/dbraw/zinc/29/31/15/1220293115.db2.gz MMDXURJKCNMDQA-LJCCNALRSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339929 1220293118 /nfs/dbraw/zinc/29/31/18/1220293118.db2.gz MMDXURJKCNMDQA-LJCCNALRSA-N 2 1 362.518 0.799 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](C[C@@H](O)COC)C[C@@]3(C)C2)CC1 ZINC001101473087 1220365790 /nfs/dbraw/zinc/36/57/90/1220365790.db2.gz FNRACRKYFBODSG-GGPKGHCWSA-N 2 1 363.502 0.119 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815841 1220408617 /nfs/dbraw/zinc/40/86/17/1220408617.db2.gz VTZGGFDMFGMGEI-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815841 1220408619 /nfs/dbraw/zinc/40/86/19/1220408619.db2.gz VTZGGFDMFGMGEI-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815841 1220408621 /nfs/dbraw/zinc/40/86/21/1220408621.db2.gz VTZGGFDMFGMGEI-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102044988 1220476207 /nfs/dbraw/zinc/47/62/07/1220476207.db2.gz NCMKBTSRNVZRPN-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044988 1220476209 /nfs/dbraw/zinc/47/62/09/1220476209.db2.gz NCMKBTSRNVZRPN-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102044988 1220476211 /nfs/dbraw/zinc/47/62/11/1220476211.db2.gz NCMKBTSRNVZRPN-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051977 1220479279 /nfs/dbraw/zinc/47/92/79/1220479279.db2.gz WLRUXSPLPPOATM-NUJGCVRESA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](CNC(=O)C[N@H+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051977 1220479282 /nfs/dbraw/zinc/47/92/82/1220479282.db2.gz WLRUXSPLPPOATM-NUJGCVRESA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](CNC(=O)C[N@@H+](C)C3CCC3)[C@H](C)C2)C1=O ZINC001102051977 1220479286 /nfs/dbraw/zinc/47/92/86/1220479286.db2.gz WLRUXSPLPPOATM-NUJGCVRESA-N 2 1 362.518 0.942 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001102122865 1220510313 /nfs/dbraw/zinc/51/03/13/1220510313.db2.gz PTWMFQKTMJXPKA-GDBMZVCRSA-N 2 1 353.426 0.381 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC2([NH+](C)C)CCCC2)[C@H](C)C1 ZINC001102191059 1220544459 /nfs/dbraw/zinc/54/44/59/1220544459.db2.gz NZPLGOMHKUAWTC-IAGOWNOFSA-N 2 1 362.518 0.684 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473533 1220643826 /nfs/dbraw/zinc/64/38/26/1220643826.db2.gz DUMSNJUKNQEBBW-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515252 1220675226 /nfs/dbraw/zinc/67/52/26/1220675226.db2.gz KQIPNXCJVWOEAP-BZUAXINKSA-N 2 1 371.485 0.583 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578362 1220700871 /nfs/dbraw/zinc/70/08/71/1220700871.db2.gz YQVQMCVSWSKABH-FGTMMUONSA-N 2 1 362.518 0.823 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578362 1220700873 /nfs/dbraw/zinc/70/08/73/1220700873.db2.gz YQVQMCVSWSKABH-FGTMMUONSA-N 2 1 362.518 0.823 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578362 1220700876 /nfs/dbraw/zinc/70/08/76/1220700876.db2.gz YQVQMCVSWSKABH-FGTMMUONSA-N 2 1 362.518 0.823 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102612414 1220730204 /nfs/dbraw/zinc/73/02/04/1220730204.db2.gz HAXVFEPWMGIFRC-QZTJIDSGSA-N 2 1 362.518 0.686 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086846 1220831061 /nfs/dbraw/zinc/83/10/61/1220831061.db2.gz SXIVIXOXQOACCC-ZACQAIPSSA-N 2 1 371.485 0.584 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCc3[nH+]ccn32)C1 ZINC001103086846 1220831062 /nfs/dbraw/zinc/83/10/62/1220831062.db2.gz SXIVIXOXQOACCC-ZACQAIPSSA-N 2 1 371.485 0.584 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001103103612 1220833840 /nfs/dbraw/zinc/83/38/40/1220833840.db2.gz PKYCJXOEZSHQRT-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001103103612 1220833841 /nfs/dbraw/zinc/83/38/41/1220833841.db2.gz PKYCJXOEZSHQRT-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001103103612 1220833842 /nfs/dbraw/zinc/83/38/42/1220833842.db2.gz PKYCJXOEZSHQRT-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001103368468 1220872056 /nfs/dbraw/zinc/87/20/56/1220872056.db2.gz XPZHZOVBMJZHJI-LTIDMASMSA-N 2 1 363.506 0.431 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001103368468 1220872059 /nfs/dbraw/zinc/87/20/59/1220872059.db2.gz XPZHZOVBMJZHJI-LTIDMASMSA-N 2 1 363.506 0.431 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001103368468 1220872060 /nfs/dbraw/zinc/87/20/60/1220872060.db2.gz XPZHZOVBMJZHJI-LTIDMASMSA-N 2 1 363.506 0.431 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724739 1220953609 /nfs/dbraw/zinc/95/36/09/1220953609.db2.gz RDIKGSCVUZWPLC-BFYDXBDKSA-N 2 1 359.474 0.404 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724739 1220953615 /nfs/dbraw/zinc/95/36/15/1220953615.db2.gz RDIKGSCVUZWPLC-BFYDXBDKSA-N 2 1 359.474 0.404 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2CN(CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001111753383 1221090349 /nfs/dbraw/zinc/09/03/49/1221090349.db2.gz ZVIVIAUDEGDBMQ-GGXPGOJBSA-N 2 1 361.490 0.327 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)CC[N@@H+]1C ZINC001111753383 1221090354 /nfs/dbraw/zinc/09/03/54/1221090354.db2.gz ZVIVIAUDEGDBMQ-GGXPGOJBSA-N 2 1 361.490 0.327 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[NH+](CC(=O)NCC#N)C3)CC[N@H+]1C ZINC001111753383 1221090357 /nfs/dbraw/zinc/09/03/57/1221090357.db2.gz ZVIVIAUDEGDBMQ-GGXPGOJBSA-N 2 1 361.490 0.327 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001111753383 1221090361 /nfs/dbraw/zinc/09/03/61/1221090361.db2.gz ZVIVIAUDEGDBMQ-GGXPGOJBSA-N 2 1 361.490 0.327 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)CC[NH+]1C ZINC001111753383 1221090363 /nfs/dbraw/zinc/09/03/63/1221090363.db2.gz ZVIVIAUDEGDBMQ-GGXPGOJBSA-N 2 1 361.490 0.327 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001111766757 1221097029 /nfs/dbraw/zinc/09/70/29/1221097029.db2.gz AZKHTGPDGZKENZ-FCEWJHQRSA-N 2 1 368.497 0.939 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001111766757 1221097030 /nfs/dbraw/zinc/09/70/30/1221097030.db2.gz AZKHTGPDGZKENZ-FCEWJHQRSA-N 2 1 368.497 0.939 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807930 1221121297 /nfs/dbraw/zinc/12/12/97/1221121297.db2.gz NPIGSWZIDUXAOJ-JXFKEZNVSA-N 2 1 365.437 0.668 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001111807930 1221121300 /nfs/dbraw/zinc/12/13/00/1221121300.db2.gz NPIGSWZIDUXAOJ-JXFKEZNVSA-N 2 1 365.437 0.668 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111861147 1221140385 /nfs/dbraw/zinc/14/03/85/1221140385.db2.gz XFFUONGCFYZLQI-SYNHAJSKSA-N 2 1 362.518 0.990 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938075 1221178898 /nfs/dbraw/zinc/17/88/98/1221178898.db2.gz KFKDNPZJXPDCES-FTRWYGJKSA-N 2 1 358.486 0.191 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001229860106 1226037186 /nfs/dbraw/zinc/03/71/86/1226037186.db2.gz MBTPGQJMUYXISH-HUUCEWRRSA-N 2 1 367.494 0.357 20 30 FCEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001210476534 1223693327 /nfs/dbraw/zinc/69/33/27/1223693327.db2.gz DSXPYIKSNKHVBV-IAGOWNOFSA-N 2 1 365.522 0.917 20 30 FCEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001210476534 1223693331 /nfs/dbraw/zinc/69/33/31/1223693331.db2.gz DSXPYIKSNKHVBV-IAGOWNOFSA-N 2 1 365.522 0.917 20 30 FCEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001210476534 1223693333 /nfs/dbraw/zinc/69/33/33/1223693333.db2.gz DSXPYIKSNKHVBV-IAGOWNOFSA-N 2 1 365.522 0.917 20 30 FCEDMP CCC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001210476534 1223693336 /nfs/dbraw/zinc/69/33/36/1223693336.db2.gz DSXPYIKSNKHVBV-IAGOWNOFSA-N 2 1 365.522 0.917 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292865 1223732778 /nfs/dbraw/zinc/73/27/78/1223732778.db2.gz SZJKEHPSYFTOJG-GPMSIDNRSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211292865 1223732779 /nfs/dbraw/zinc/73/27/79/1223732779.db2.gz SZJKEHPSYFTOJG-GPMSIDNRSA-N 2 1 370.497 0.936 20 30 FCEDMP CO[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370652 1223791442 /nfs/dbraw/zinc/79/14/42/1223791442.db2.gz MMPMQOOEMUBJMY-QZTJIDSGSA-N 2 1 360.458 0.856 20 30 FCEDMP CO[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213370652 1223791444 /nfs/dbraw/zinc/79/14/44/1223791444.db2.gz MMPMQOOEMUBJMY-QZTJIDSGSA-N 2 1 360.458 0.856 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCOC(C)C)C[C@H]2OC)CC1 ZINC001213919885 1223872462 /nfs/dbraw/zinc/87/24/62/1223872462.db2.gz GAQBVKFLPXDMLE-RTBURBONSA-N 2 1 365.518 0.962 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C[C@H]1C ZINC001214662068 1223929901 /nfs/dbraw/zinc/92/99/01/1223929901.db2.gz SISUBOHQICDSKP-BZUAXINKSA-N 2 1 359.474 0.583 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001215004016 1223962957 /nfs/dbraw/zinc/96/29/57/1223962957.db2.gz PKKIFPYFTWEGRU-ZIAGYGMSSA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216490578 1224053046 /nfs/dbraw/zinc/05/30/46/1224053046.db2.gz FHQFJYIPLMAUTP-HUUCEWRRSA-N 2 1 367.494 0.167 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001002259150 1252494706 /nfs/dbraw/zinc/49/47/06/1252494706.db2.gz XWVRNGVNVWABJY-KSZLIROESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001002259150 1252494709 /nfs/dbraw/zinc/49/47/09/1252494709.db2.gz XWVRNGVNVWABJY-KSZLIROESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001002259150 1252494711 /nfs/dbraw/zinc/49/47/11/1252494711.db2.gz XWVRNGVNVWABJY-KSZLIROESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001002259150 1252494714 /nfs/dbraw/zinc/49/47/14/1252494714.db2.gz XWVRNGVNVWABJY-KSZLIROESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nncn3C)C2)CC1 ZINC001082941582 1257159443 /nfs/dbraw/zinc/15/94/43/1257159443.db2.gz ZBSFOOOMLXNEES-BFYDXBDKSA-N 2 1 358.490 0.658 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577120 1258925201 /nfs/dbraw/zinc/92/52/01/1258925201.db2.gz AXQKHCXOKXWFJT-BRWVUGGUSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577120 1258925214 /nfs/dbraw/zinc/92/52/14/1258925214.db2.gz AXQKHCXOKXWFJT-BRWVUGGUSA-N 2 1 366.506 0.082 20 30 FCEDMP C[N@@H+](CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2)C1CCC1 ZINC001107439376 1259088994 /nfs/dbraw/zinc/08/89/94/1259088994.db2.gz YAMPQFABDRUZPL-VQIMIIECSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2)C1CCC1 ZINC001107439376 1259089002 /nfs/dbraw/zinc/08/90/02/1259089002.db2.gz YAMPQFABDRUZPL-VQIMIIECSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+](CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2)C1CCC1 ZINC001107439376 1259089008 /nfs/dbraw/zinc/08/90/08/1259089008.db2.gz YAMPQFABDRUZPL-VQIMIIECSA-N 2 1 361.490 0.471 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](C[C@@H](O)COC)CC2 ZINC001107439726 1259089399 /nfs/dbraw/zinc/08/93/99/1259089399.db2.gz OSCUNBZZCMVPKO-AJYBTWMASA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](C[C@@H](O)COC)CC2 ZINC001107439726 1259089403 /nfs/dbraw/zinc/08/94/03/1259089403.db2.gz OSCUNBZZCMVPKO-AJYBTWMASA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](C[C@@H](O)COC)CC2 ZINC001107439726 1259089407 /nfs/dbraw/zinc/08/94/07/1259089407.db2.gz OSCUNBZZCMVPKO-AJYBTWMASA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](C[C@@H](O)COC)CC2 ZINC001107439726 1259089413 /nfs/dbraw/zinc/08/94/13/1259089413.db2.gz OSCUNBZZCMVPKO-AJYBTWMASA-N 2 1 363.502 0.452 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001107615688 1259134315 /nfs/dbraw/zinc/13/43/15/1259134315.db2.gz IGVTUKWNWVNYJK-YLJYHZDGSA-N 2 1 362.518 0.829 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615688 1259134319 /nfs/dbraw/zinc/13/43/19/1259134319.db2.gz IGVTUKWNWVNYJK-YLJYHZDGSA-N 2 1 362.518 0.829 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001107615688 1259134321 /nfs/dbraw/zinc/13/43/21/1259134321.db2.gz IGVTUKWNWVNYJK-YLJYHZDGSA-N 2 1 362.518 0.829 20 30 FCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2C(C)C)C1 ZINC001251839357 1259761990 /nfs/dbraw/zinc/76/19/90/1259761990.db2.gz DOVKHVZFTVMBNO-HCXYKTFWSA-N 2 1 361.490 0.462 20 30 FCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1 ZINC001251839357 1259761994 /nfs/dbraw/zinc/76/19/94/1259761994.db2.gz DOVKHVZFTVMBNO-HCXYKTFWSA-N 2 1 361.490 0.462 20 30 FCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001251839357 1259762001 /nfs/dbraw/zinc/76/20/01/1259762001.db2.gz DOVKHVZFTVMBNO-HCXYKTFWSA-N 2 1 361.490 0.462 20 30 FCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2C(C)C)C1 ZINC001251839357 1259762007 /nfs/dbraw/zinc/76/20/07/1259762007.db2.gz DOVKHVZFTVMBNO-HCXYKTFWSA-N 2 1 361.490 0.462 20 30 FCEDMP C#CCCN1CCN(C(=O)/C(C)=C\C(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC001527631678 1266909120 /nfs/dbraw/zinc/90/91/20/1266909120.db2.gz MOALLDORSJFVAS-HNENSFHCSA-N 2 1 370.497 0.268 20 30 FCEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343473180 1269918278 /nfs/dbraw/zinc/91/82/78/1269918278.db2.gz LNRCLNWCPMIFGF-FHWLQOOXSA-N 2 1 354.454 0.803 20 30 FCEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343473180 1269918282 /nfs/dbraw/zinc/91/82/82/1269918282.db2.gz LNRCLNWCPMIFGF-FHWLQOOXSA-N 2 1 354.454 0.803 20 30 FCEDMP C=C1CCN(c2nnc([C@@H]3CCC[NH2+]C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001574867463 1271619144 /nfs/dbraw/zinc/61/91/44/1271619144.db2.gz QFZYNZOAZWDPFW-VQIMIIECSA-N 2 1 360.506 0.968 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@H](C[NH2+]CCc3c[nH]nn3)C2)CC1 ZINC001574966928 1271686387 /nfs/dbraw/zinc/68/63/87/1271686387.db2.gz LHVPSAWKKBXKDL-SJLPKXTDSA-N 2 1 372.517 0.767 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001588351507 1282445708 /nfs/dbraw/zinc/44/57/08/1282445708.db2.gz XJOUCNNMJKDRIO-KRWDZBQOSA-N 2 1 367.457 0.560 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001588351507 1282445714 /nfs/dbraw/zinc/44/57/14/1282445714.db2.gz XJOUCNNMJKDRIO-KRWDZBQOSA-N 2 1 367.457 0.560 20 30 FCEDMP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692064246 1289383338 /nfs/dbraw/zinc/38/33/38/1289383338.db2.gz CYEBQWNEXSYGRP-IKGGRYGDSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692064246 1289383346 /nfs/dbraw/zinc/38/33/46/1289383346.db2.gz CYEBQWNEXSYGRP-IKGGRYGDSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692064246 1289383354 /nfs/dbraw/zinc/38/33/54/1289383354.db2.gz CYEBQWNEXSYGRP-IKGGRYGDSA-N 2 1 361.490 0.281 20 30 FCEDMP CCC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692064246 1289383365 /nfs/dbraw/zinc/38/33/65/1289383365.db2.gz CYEBQWNEXSYGRP-IKGGRYGDSA-N 2 1 361.490 0.281 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001071046598 837717808 /nfs/dbraw/zinc/71/78/08/837717808.db2.gz KBOOPAGQFBKGQP-SQNIBIBYSA-N 2 1 351.491 0.879 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001071046598 837717815 /nfs/dbraw/zinc/71/78/15/837717815.db2.gz KBOOPAGQFBKGQP-SQNIBIBYSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345836 844152909 /nfs/dbraw/zinc/15/29/09/844152909.db2.gz IYPVEDVBQBVVEL-MDZRGWNJSA-N 2 1 350.507 0.799 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@H]2O)CC1 ZINC001078227094 839415462 /nfs/dbraw/zinc/41/54/62/839415462.db2.gz IQRFURWOYSESJN-QZTJIDSGSA-N 2 1 361.511 0.797 20 30 FCEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](CC)CC ZINC001102356393 844473996 /nfs/dbraw/zinc/47/39/96/844473996.db2.gz IQWVJOCSMJNEDX-BZUAXINKSA-N 2 1 351.495 0.431 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577708 845199388 /nfs/dbraw/zinc/19/93/88/845199388.db2.gz QECXOSAMNNCZHU-KURKYZTESA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577708 845199393 /nfs/dbraw/zinc/19/93/93/845199393.db2.gz QECXOSAMNNCZHU-KURKYZTESA-N 2 1 353.507 0.982 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190361 846450124 /nfs/dbraw/zinc/45/01/24/846450124.db2.gz XNVSTCNZSMNPEO-CHWSQXEVSA-N 2 1 362.396 0.057 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112190361 846450131 /nfs/dbraw/zinc/45/01/31/846450131.db2.gz XNVSTCNZSMNPEO-CHWSQXEVSA-N 2 1 362.396 0.057 20 30 FCEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289601 848334713 /nfs/dbraw/zinc/33/47/13/848334713.db2.gz ZHSVZGSKBUTVBT-NYXDSXFPSA-N 2 1 351.491 0.925 20 30 FCEDMP C=CCOCC[NH2+]C1CC2(CC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC001121289601 848334721 /nfs/dbraw/zinc/33/47/21/848334721.db2.gz ZHSVZGSKBUTVBT-NYXDSXFPSA-N 2 1 351.491 0.925 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130081328 848941662 /nfs/dbraw/zinc/94/16/62/848941662.db2.gz JGFZZSNUOYZPKV-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234628 848982340 /nfs/dbraw/zinc/98/23/40/848982340.db2.gz FFYHCAWCOWAETB-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234628 848982343 /nfs/dbraw/zinc/98/23/43/848982343.db2.gz FFYHCAWCOWAETB-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C#CCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001151180310 849680891 /nfs/dbraw/zinc/68/08/91/849680891.db2.gz KLYPFYSQZLNMPA-IAGOWNOFSA-N 2 1 351.491 0.716 20 30 FCEDMP C#CCC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001151180310 849680894 /nfs/dbraw/zinc/68/08/94/849680894.db2.gz KLYPFYSQZLNMPA-IAGOWNOFSA-N 2 1 351.491 0.716 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)N(CC)CCC#N)CC[N@H+]1C ZINC001158404531 850047760 /nfs/dbraw/zinc/04/77/60/850047760.db2.gz VBYORKYFIGXKAN-JKSUJKDBSA-N 2 1 351.495 0.575 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522633 850905056 /nfs/dbraw/zinc/90/50/56/850905056.db2.gz NGQRZHBEIBWKCQ-GVDBMIGSSA-N 2 1 350.507 0.731 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676334 851190700 /nfs/dbraw/zinc/19/07/00/851190700.db2.gz HVSFXAKUCQRKEW-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198698854 853303400 /nfs/dbraw/zinc/30/34/00/853303400.db2.gz GSZMKJTYZXTCCD-RCCFBDPRSA-N 2 1 353.507 0.862 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C2)C1=O ZINC001210485740 854114490 /nfs/dbraw/zinc/11/44/90/854114490.db2.gz KALBCBGDHQLOBL-ZACQAIPSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C2)C1=O ZINC001210485740 854114497 /nfs/dbraw/zinc/11/44/97/854114497.db2.gz KALBCBGDHQLOBL-ZACQAIPSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C2)C1=O ZINC001210485740 854114500 /nfs/dbraw/zinc/11/45/00/854114500.db2.gz KALBCBGDHQLOBL-ZACQAIPSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095783 856461602 /nfs/dbraw/zinc/46/16/02/856461602.db2.gz JJRXVHIVWGVXSM-FGTMMUONSA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@@H](O)C1 ZINC001221095783 856461607 /nfs/dbraw/zinc/46/16/07/856461607.db2.gz JJRXVHIVWGVXSM-FGTMMUONSA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958209 856748829 /nfs/dbraw/zinc/74/88/29/856748829.db2.gz KYBAADLZOZMIGO-GVDBMIGSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001221958209 856748836 /nfs/dbraw/zinc/74/88/36/856748836.db2.gz KYBAADLZOZMIGO-GVDBMIGSSA-N 2 1 350.507 0.942 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229837764 857289301 /nfs/dbraw/zinc/28/93/01/857289301.db2.gz SGCGPIIRAPSLDH-GVDBMIGSSA-N 2 1 350.507 0.873 20 30 FCEDMP C=CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001252463394 857811861 /nfs/dbraw/zinc/81/18/61/857811861.db2.gz ODDHCLFBNUXZOV-SFHVURJKSA-N 2 1 353.507 0.815 20 30 FCEDMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@H]2C1 ZINC001280182625 863313168 /nfs/dbraw/zinc/31/31/68/863313168.db2.gz XCZQKCLZZVUVQG-HOTGVXAUSA-N 2 1 350.463 0.423 20 30 FCEDMP C[N@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000262348722 529800226 /nfs/dbraw/zinc/80/02/26/529800226.db2.gz YLVUZHKIVULNNH-QGZVFWFLSA-N 2 1 351.882 0.843 20 30 FCEDMP C[N@H+]1CCCN(CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000104175098 530053832 /nfs/dbraw/zinc/05/38/32/530053832.db2.gz CAFBCKOXXMPCBZ-UHFFFAOYSA-N 2 1 368.526 0.491 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419842874 246316911 /nfs/dbraw/zinc/31/69/11/246316911.db2.gz MHKRZZNCRISFBS-GOSISDBHSA-N 2 1 369.469 0.461 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419842874 246316918 /nfs/dbraw/zinc/31/69/18/246316918.db2.gz MHKRZZNCRISFBS-GOSISDBHSA-N 2 1 369.469 0.461 20 30 FCEDMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419949327 246382992 /nfs/dbraw/zinc/38/29/92/246382992.db2.gz KZAVRYRAFJXUQG-INIZCTEOSA-N 2 1 371.485 0.564 20 30 FCEDMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419949327 246382996 /nfs/dbraw/zinc/38/29/96/246382996.db2.gz KZAVRYRAFJXUQG-INIZCTEOSA-N 2 1 371.485 0.564 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(CN2CCCC2=O)c1 ZINC000264112577 229323127 /nfs/dbraw/zinc/32/31/27/229323127.db2.gz RJVMBOFZPSPQHG-UHFFFAOYSA-N 2 1 373.501 0.936 20 30 FCEDMP C[NH+](C)C1(CNC(=[NH2+])NCCCN2CCOCC2)Cc2ccccc2C1 ZINC000267477443 229381053 /nfs/dbraw/zinc/38/10/53/229381053.db2.gz ZOLUHTGOSZMTBV-UHFFFAOYSA-N 2 1 359.518 0.712 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000076971793 488408104 /nfs/dbraw/zinc/40/81/04/488408104.db2.gz HBLJNPXLRPCXJP-OAHLLOKOSA-N 2 1 351.495 0.523 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000270465835 488516656 /nfs/dbraw/zinc/51/66/56/488516656.db2.gz XUVYWMRNEYGMEL-GOSISDBHSA-N 2 1 373.501 0.662 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)nc1 ZINC000171100994 488819506 /nfs/dbraw/zinc/81/95/06/488819506.db2.gz JTKXTGXIIUGHSE-INIZCTEOSA-N 2 1 365.503 0.990 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000174770274 488851059 /nfs/dbraw/zinc/85/10/59/488851059.db2.gz HMFQDXAFNCLXHP-SFHVURJKSA-N 2 1 354.495 0.409 20 30 FCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000329306737 488992371 /nfs/dbraw/zinc/99/23/71/488992371.db2.gz YVYCZJOPXXUUQO-KURKYZTESA-N 2 1 367.538 0.504 20 30 FCEDMP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330206371 489080850 /nfs/dbraw/zinc/08/08/50/489080850.db2.gz DEWIGKOEZUGJFK-SJORKVTESA-N 2 1 367.538 0.721 20 30 FCEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000331173259 489181235 /nfs/dbraw/zinc/18/12/35/489181235.db2.gz UVUIWKWQDDZHFB-CVEARBPZSA-N 2 1 353.511 0.915 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)/C=C/C=C/C(=O)NCCC[N@H+](C)CC#C ZINC000294009392 489187954 /nfs/dbraw/zinc/18/79/54/489187954.db2.gz PNSAJSQNQNBROB-MKICQXMISA-N 2 1 358.486 0.241 20 30 FCEDMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N(CCC#N)CCC#N)CC2)CC1 ZINC000375237804 489711556 /nfs/dbraw/zinc/71/15/56/489711556.db2.gz PJPFQWKYLCXKHF-UHFFFAOYSA-N 2 1 374.533 0.992 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420057914 489897000 /nfs/dbraw/zinc/89/70/00/489897000.db2.gz ICXSGPCHRNWMHB-GOSISDBHSA-N 2 1 369.469 0.446 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000420057914 489897002 /nfs/dbraw/zinc/89/70/02/489897002.db2.gz ICXSGPCHRNWMHB-GOSISDBHSA-N 2 1 369.469 0.446 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000521087402 490223423 /nfs/dbraw/zinc/22/34/23/490223423.db2.gz CFABKDGUXFLGIK-MRXNPFEDSA-N 2 1 350.507 0.847 20 30 FCEDMP Cc1ccc(NCCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)[nH+]c1 ZINC000572029321 491344336 /nfs/dbraw/zinc/34/43/36/491344336.db2.gz ROEXTCGAUYBERU-UHFFFAOYSA-N 2 1 359.455 1.522 20 30 FCEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600725167 491879289 /nfs/dbraw/zinc/87/92/89/491879289.db2.gz XFPFHXNAIITXEK-MSOLQXFVSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600725167 491879291 /nfs/dbraw/zinc/87/92/91/491879291.db2.gz XFPFHXNAIITXEK-MSOLQXFVSA-N 2 1 374.485 0.830 20 30 FCEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262806975 526346159 /nfs/dbraw/zinc/34/61/59/526346159.db2.gz QFGQAYICNYIXRK-KRWDZBQOSA-N 2 1 355.486 0.973 20 30 FCEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262806975 526346164 /nfs/dbraw/zinc/34/61/64/526346164.db2.gz QFGQAYICNYIXRK-KRWDZBQOSA-N 2 1 355.486 0.973 20 30 FCEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)N1CCS[C@H](C(C)C)C1 ZINC000179073276 526352681 /nfs/dbraw/zinc/35/26/81/526352681.db2.gz VBPLXWMCENYYFO-HNNXBMFYSA-N 2 1 355.552 0.799 20 30 FCEDMP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261991837 526353046 /nfs/dbraw/zinc/35/30/46/526353046.db2.gz RMEXROMXFSQSNZ-CZUORRHYSA-N 2 1 371.551 0.306 20 30 FCEDMP C[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261945138 526371992 /nfs/dbraw/zinc/37/19/92/526371992.db2.gz FRHPUOGIHBVFGU-SJORKVTESA-N 2 1 364.538 0.142 20 30 FCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261772752 526373333 /nfs/dbraw/zinc/37/33/33/526373333.db2.gz GWIUMHRPIDOGJF-UONOGXRCSA-N 2 1 364.460 0.376 20 30 FCEDMP C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262791834 526374645 /nfs/dbraw/zinc/37/46/45/526374645.db2.gz OGNXSHKODMYZPN-CRAIPNDOSA-N 2 1 350.463 0.717 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105322360 526726271 /nfs/dbraw/zinc/72/62/71/526726271.db2.gz KQBYQBHKVOMHTR-MSOLQXFVSA-N 2 1 360.502 0.487 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105322360 526726275 /nfs/dbraw/zinc/72/62/75/526726275.db2.gz KQBYQBHKVOMHTR-MSOLQXFVSA-N 2 1 360.502 0.487 20 30 FCEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)C1 ZINC000261738269 527810583 /nfs/dbraw/zinc/81/05/83/527810583.db2.gz KJFWZEJEAIVGLA-ACJLOTCBSA-N 2 1 364.494 0.214 20 30 FCEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262577506 528808335 /nfs/dbraw/zinc/80/83/35/528808335.db2.gz PAWYRCJIEUMRJC-INIZCTEOSA-N 2 1 362.478 0.480 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261671450 528809257 /nfs/dbraw/zinc/80/92/57/528809257.db2.gz CCUBZBGZFSWDDM-SCLBCKFNSA-N 2 1 364.494 0.214 20 30 FCEDMP CC[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261940436 528814382 /nfs/dbraw/zinc/81/43/82/528814382.db2.gz DKYVLPPDJLJXHV-NUEKZKHPSA-N 2 1 371.551 0.448 20 30 FCEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179074955 528815985 /nfs/dbraw/zinc/81/59/85/528815985.db2.gz JSTILPMMIFNXLA-DOTOQJQBSA-N 2 1 356.536 0.474 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1N1CCN(C)CC1 ZINC000264081517 529074775 /nfs/dbraw/zinc/07/47/75/529074775.db2.gz HNMWELRVULTEML-QGZVFWFLSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264081517 529074782 /nfs/dbraw/zinc/07/47/82/529074782.db2.gz HNMWELRVULTEML-QGZVFWFLSA-N 3 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264081517 529074793 /nfs/dbraw/zinc/07/47/93/529074793.db2.gz HNMWELRVULTEML-QGZVFWFLSA-N 3 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000264118555 529100542 /nfs/dbraw/zinc/10/05/42/529100542.db2.gz UAGJHASHWLXENU-HNNXBMFYSA-N 2 1 367.519 0.826 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OCCO)c(OC)c1 ZINC000264066396 529101040 /nfs/dbraw/zinc/10/10/40/529101040.db2.gz BKXXXIWWEXOSSP-HNNXBMFYSA-N 2 1 350.463 0.955 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000594124655 546773763 /nfs/dbraw/zinc/77/37/63/546773763.db2.gz FQWYTPJTZCBHJH-INIZCTEOSA-N 2 1 351.495 0.666 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000553670165 547299193 /nfs/dbraw/zinc/29/91/93/547299193.db2.gz ZDJNWETUXHVIQM-HOTGVXAUSA-N 2 1 350.507 0.990 20 30 FCEDMP C[NH+]1CCC(NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000328800511 663387666 /nfs/dbraw/zinc/38/76/66/663387666.db2.gz YMGJXBGTHLOHKH-UHFFFAOYSA-N 2 1 351.495 0.481 20 30 FCEDMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC#CCO ZINC000923776776 663960599 /nfs/dbraw/zinc/96/05/99/663960599.db2.gz DEGPHUQEZBWURU-UHFFFAOYSA-N 2 1 350.507 0.820 20 30 FCEDMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001033292624 667726973 /nfs/dbraw/zinc/72/69/73/667726973.db2.gz SVEXNUAJDALIJX-KSZLIROESA-N 2 1 351.491 0.975 20 30 FCEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112470855 1167774661 /nfs/dbraw/zinc/77/46/61/1167774661.db2.gz VDOYUMIQVFJREG-YJBOKZPZSA-N 2 1 358.446 0.050 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265354 1168848368 /nfs/dbraw/zinc/84/83/68/1168848368.db2.gz ZLOXLWLJKNZCDF-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294240 1169684550 /nfs/dbraw/zinc/68/45/50/1169684550.db2.gz DZQLICVPMBEJHI-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211557607 1172071224 /nfs/dbraw/zinc/07/12/24/1172071224.db2.gz XTCWGGCPDKGECE-OTWHNJEPSA-N 2 1 370.497 0.967 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691440710 1179050482 /nfs/dbraw/zinc/05/04/82/1179050482.db2.gz QNWKBTPQAOLISN-WCXIOVBPSA-N 2 1 363.506 0.573 20 30 FCEDMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083273809 1181737086 /nfs/dbraw/zinc/73/70/86/1181737086.db2.gz JCGFJTSNHWZXSS-GBESFXJTSA-N 2 1 354.454 0.922 20 30 FCEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083273809 1181737094 /nfs/dbraw/zinc/73/70/94/1181737094.db2.gz JCGFJTSNHWZXSS-GBESFXJTSA-N 2 1 354.454 0.922 20 30 FCEDMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083273809 1181737100 /nfs/dbraw/zinc/73/71/00/1181737100.db2.gz JCGFJTSNHWZXSS-GBESFXJTSA-N 2 1 354.454 0.922 20 30 FCEDMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083273809 1181737109 /nfs/dbraw/zinc/73/71/09/1181737109.db2.gz JCGFJTSNHWZXSS-GBESFXJTSA-N 2 1 354.454 0.922 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001104683140 1182366667 /nfs/dbraw/zinc/36/66/67/1182366667.db2.gz GJBRPXLWFCRUPX-IAGOWNOFSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098611103 1182985029 /nfs/dbraw/zinc/98/50/29/1182985029.db2.gz XJBSJBUSBVRHCI-KZNAEPCWSA-N 2 1 363.502 0.811 20 30 FCEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098611103 1182985034 /nfs/dbraw/zinc/98/50/34/1182985034.db2.gz XJBSJBUSBVRHCI-KZNAEPCWSA-N 2 1 363.502 0.811 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529702 1186085509 /nfs/dbraw/zinc/08/55/09/1186085509.db2.gz LHQMGVLKDFWXFS-ZWOKBUDYSA-N 2 1 362.518 0.849 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@H](C)C1)C2 ZINC001112529694 1186087727 /nfs/dbraw/zinc/08/77/27/1186087727.db2.gz LBTPKLAJQCZFOB-ZWOKBUDYSA-N 2 1 360.502 0.296 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1ccccc1 ZINC001211729618 1187511683 /nfs/dbraw/zinc/51/16/83/1187511683.db2.gz FJQVGQCNOKCPHL-RBUKOAKNSA-N 2 1 370.497 0.660 20 30 FCEDMP CN1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643586 1187564807 /nfs/dbraw/zinc/56/48/07/1187564807.db2.gz DELPGPAPNNDYHO-OTWHNJEPSA-N 2 1 354.454 0.922 20 30 FCEDMP CN1CCO[C@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643586 1187564811 /nfs/dbraw/zinc/56/48/11/1187564811.db2.gz DELPGPAPNNDYHO-OTWHNJEPSA-N 2 1 354.454 0.922 20 30 FCEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c1 ZINC001083465615 1193787098 /nfs/dbraw/zinc/78/70/98/1193787098.db2.gz LBDWWZMZAXXHMM-OTWHNJEPSA-N 2 1 354.454 0.561 20 30 FCEDMP N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c1 ZINC001083465615 1193787102 /nfs/dbraw/zinc/78/71/02/1193787102.db2.gz LBDWWZMZAXXHMM-OTWHNJEPSA-N 2 1 354.454 0.561 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945466 1196749623 /nfs/dbraw/zinc/74/96/23/1196749623.db2.gz YJVKTTCICMGEDZ-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP C[N@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)C1 ZINC000593514167 1196800923 /nfs/dbraw/zinc/80/09/23/1196800923.db2.gz SCDDSUSWHBTXBW-FQEVSTJZSA-N 2 1 371.485 0.888 20 30 FCEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106250041 1197784229 /nfs/dbraw/zinc/78/42/29/1197784229.db2.gz WTIDCILKTDSKAF-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001219652266 1224546092 /nfs/dbraw/zinc/54/60/92/1224546092.db2.gz MFZDHMYWVAFTOE-YRXWBPOGSA-N 2 1 365.518 0.861 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129460659 1201327277 /nfs/dbraw/zinc/32/72/77/1201327277.db2.gz MNACOQOPMBAIIT-FGTMMUONSA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129460659 1201327283 /nfs/dbraw/zinc/32/72/83/1201327283.db2.gz MNACOQOPMBAIIT-FGTMMUONSA-N 2 1 358.490 0.763 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129897849 1201431377 /nfs/dbraw/zinc/43/13/77/1201431377.db2.gz KEXVIUIATNCKPI-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)C)[C@@H](n2ccnn2)C1 ZINC001129897849 1201431381 /nfs/dbraw/zinc/43/13/81/1201431381.db2.gz KEXVIUIATNCKPI-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130038181 1201482920 /nfs/dbraw/zinc/48/29/20/1201482920.db2.gz QJIVFAIAUWIZPO-SJORKVTESA-N 2 1 362.478 0.308 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001130212904 1201545413 /nfs/dbraw/zinc/54/54/13/1201545413.db2.gz KAZSJPMKXYBYLR-WCVJEAGWSA-N 2 1 374.489 0.247 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001130212904 1201545416 /nfs/dbraw/zinc/54/54/16/1201545416.db2.gz KAZSJPMKXYBYLR-WCVJEAGWSA-N 2 1 374.489 0.247 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001130212904 1201545419 /nfs/dbraw/zinc/54/54/19/1201545419.db2.gz KAZSJPMKXYBYLR-WCVJEAGWSA-N 2 1 374.489 0.247 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001130212904 1201545421 /nfs/dbraw/zinc/54/54/21/1201545421.db2.gz KAZSJPMKXYBYLR-WCVJEAGWSA-N 2 1 374.489 0.247 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001130212904 1201545426 /nfs/dbraw/zinc/54/54/26/1201545426.db2.gz KAZSJPMKXYBYLR-WCVJEAGWSA-N 2 1 374.489 0.247 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C2CCC2)n1 ZINC001130220822 1201550484 /nfs/dbraw/zinc/55/04/84/1201550484.db2.gz MXOCKNSACRQUEF-GJZGRUSLSA-N 2 1 362.478 0.553 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C2CCC2)[nH]1 ZINC001130220822 1201550488 /nfs/dbraw/zinc/55/04/88/1201550488.db2.gz MXOCKNSACRQUEF-GJZGRUSLSA-N 2 1 362.478 0.553 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C2CCC2)[nH]1 ZINC001130220822 1201550492 /nfs/dbraw/zinc/55/04/92/1201550492.db2.gz MXOCKNSACRQUEF-GJZGRUSLSA-N 2 1 362.478 0.553 20 30 FCEDMP C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234941 1201559052 /nfs/dbraw/zinc/55/90/52/1201559052.db2.gz QDOWNSZWXLMTDQ-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234941 1201559054 /nfs/dbraw/zinc/55/90/54/1201559054.db2.gz QDOWNSZWXLMTDQ-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC001130237760 1201560428 /nfs/dbraw/zinc/56/04/28/1201560428.db2.gz DBAWIXCMBKGEOS-KKUMJFAQSA-N 2 1 364.494 0.799 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001130293303 1201579454 /nfs/dbraw/zinc/57/94/54/1201579454.db2.gz SPVGKZWHRSVAQS-XLIONFOSSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001130305184 1201581043 /nfs/dbraw/zinc/58/10/43/1201581043.db2.gz MREMUIHRYVTNAA-XLIONFOSSA-N 2 1 362.518 0.827 20 30 FCEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034333 1224734204 /nfs/dbraw/zinc/73/42/04/1224734204.db2.gz RHRPBITZNDZRBA-QGRXYFRJSA-N 2 1 363.502 0.757 20 30 FCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034333 1224734206 /nfs/dbraw/zinc/73/42/06/1224734206.db2.gz RHRPBITZNDZRBA-QGRXYFRJSA-N 2 1 363.502 0.757 20 30 FCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034333 1224734208 /nfs/dbraw/zinc/73/42/08/1224734208.db2.gz RHRPBITZNDZRBA-QGRXYFRJSA-N 2 1 363.502 0.757 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1c1cncn1C ZINC001131089392 1202861087 /nfs/dbraw/zinc/86/10/87/1202861087.db2.gz FCWITZMGMBLZQB-IAGOWNOFSA-N 2 1 354.458 0.923 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316850 1202886070 /nfs/dbraw/zinc/88/60/70/1202886070.db2.gz YKLQZEFXDIBADE-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316850 1202886072 /nfs/dbraw/zinc/88/60/72/1202886072.db2.gz YKLQZEFXDIBADE-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316850 1202886073 /nfs/dbraw/zinc/88/60/73/1202886073.db2.gz YKLQZEFXDIBADE-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316850 1202886075 /nfs/dbraw/zinc/88/60/75/1202886075.db2.gz YKLQZEFXDIBADE-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001131316849 1202886109 /nfs/dbraw/zinc/88/61/09/1202886109.db2.gz YKLQZEFXDIBADE-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316849 1202886110 /nfs/dbraw/zinc/88/61/10/1202886110.db2.gz YKLQZEFXDIBADE-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316849 1202886111 /nfs/dbraw/zinc/88/61/11/1202886111.db2.gz YKLQZEFXDIBADE-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001131316849 1202886114 /nfs/dbraw/zinc/88/61/14/1202886114.db2.gz YKLQZEFXDIBADE-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CCO)C1 ZINC001090874818 1203325176 /nfs/dbraw/zinc/32/51/76/1203325176.db2.gz SXGUBHATMPEIPK-ZCNNSNEGSA-N 2 1 371.481 0.669 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH2+]CCO)C1 ZINC001090874818 1203325180 /nfs/dbraw/zinc/32/51/80/1203325180.db2.gz SXGUBHATMPEIPK-ZCNNSNEGSA-N 2 1 371.481 0.669 20 30 FCEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220232512 1224811670 /nfs/dbraw/zinc/81/16/70/1224811670.db2.gz ZPNYRQMCOCIQLO-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP C[NH+](C)CCCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220232512 1224811672 /nfs/dbraw/zinc/81/16/72/1224811672.db2.gz ZPNYRQMCOCIQLO-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001147591546 1204800660 /nfs/dbraw/zinc/80/06/60/1204800660.db2.gz ZQORGHJAQZTNMZ-IXDOHACOSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147591546 1204800663 /nfs/dbraw/zinc/80/06/63/1204800663.db2.gz ZQORGHJAQZTNMZ-IXDOHACOSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147591546 1204800664 /nfs/dbraw/zinc/80/06/64/1204800664.db2.gz ZQORGHJAQZTNMZ-IXDOHACOSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=O)N3CCC3)C[C@H]2C)CC1 ZINC001093223438 1206062051 /nfs/dbraw/zinc/06/20/51/1206062051.db2.gz YYGODWZVIHTMFU-SJLPKXTDSA-N 2 1 360.502 0.248 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@H]2C)C1=O ZINC001093826033 1206123894 /nfs/dbraw/zinc/12/38/94/1206123894.db2.gz YIILAVCSRVPDIM-NUJGCVRESA-N 2 1 362.518 0.942 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810411 1206365499 /nfs/dbraw/zinc/36/54/99/1206365499.db2.gz FPJGCYOLERRUAI-BRWVUGGUSA-N 2 1 366.506 0.110 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810411 1206365501 /nfs/dbraw/zinc/36/55/01/1206365501.db2.gz FPJGCYOLERRUAI-BRWVUGGUSA-N 2 1 366.506 0.110 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190008 1207431084 /nfs/dbraw/zinc/43/10/84/1207431084.db2.gz SNIQZBBCHYEKSJ-OKZBNKHCSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190008 1207431085 /nfs/dbraw/zinc/43/10/85/1207431085.db2.gz SNIQZBBCHYEKSJ-OKZBNKHCSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190008 1207431087 /nfs/dbraw/zinc/43/10/87/1207431087.db2.gz SNIQZBBCHYEKSJ-OKZBNKHCSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190008 1207431088 /nfs/dbraw/zinc/43/10/88/1207431088.db2.gz SNIQZBBCHYEKSJ-OKZBNKHCSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190009 1207431526 /nfs/dbraw/zinc/43/15/26/1207431526.db2.gz SNIQZBBCHYEKSJ-RCCFBDPRSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188190009 1207431529 /nfs/dbraw/zinc/43/15/29/1207431529.db2.gz SNIQZBBCHYEKSJ-RCCFBDPRSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190009 1207431532 /nfs/dbraw/zinc/43/15/32/1207431532.db2.gz SNIQZBBCHYEKSJ-RCCFBDPRSA-N 2 1 362.518 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188190009 1207431537 /nfs/dbraw/zinc/43/15/37/1207431537.db2.gz SNIQZBBCHYEKSJ-RCCFBDPRSA-N 2 1 362.518 0.799 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@H+]3C(C)C)[C@@H]2C1 ZINC001188205809 1207434581 /nfs/dbraw/zinc/43/45/81/1207434581.db2.gz YOPUCCUSUBKUII-OKZBNKHCSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)[C@@H]2C1 ZINC001188205809 1207434583 /nfs/dbraw/zinc/43/45/83/1207434583.db2.gz YOPUCCUSUBKUII-OKZBNKHCSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205809 1207434584 /nfs/dbraw/zinc/43/45/84/1207434584.db2.gz YOPUCCUSUBKUII-OKZBNKHCSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001188205809 1207434585 /nfs/dbraw/zinc/43/45/85/1207434585.db2.gz YOPUCCUSUBKUII-OKZBNKHCSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405154 1207454663 /nfs/dbraw/zinc/45/46/63/1207454663.db2.gz BDPRUSCUKJECMV-FUHWJXTLSA-N 2 1 369.469 0.190 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405154 1207454664 /nfs/dbraw/zinc/45/46/64/1207454664.db2.gz BDPRUSCUKJECMV-FUHWJXTLSA-N 2 1 369.469 0.190 20 30 FCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](Cn2cccn2)N(C)C)C1 ZINC001193754819 1207889870 /nfs/dbraw/zinc/88/98/70/1207889870.db2.gz BTNBKNAVYXYKFG-KZNAEPCWSA-N 2 1 363.506 0.721 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276815597 1225029019 /nfs/dbraw/zinc/02/90/19/1225029019.db2.gz RNXBNJLBHNDTLY-QUCCMNQESA-N 2 1 364.534 0.628 20 30 FCEDMP C=C[C@@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276815597 1225029027 /nfs/dbraw/zinc/02/90/27/1225029027.db2.gz RNXBNJLBHNDTLY-QUCCMNQESA-N 2 1 364.534 0.628 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276815597 1225029037 /nfs/dbraw/zinc/02/90/37/1225029037.db2.gz RNXBNJLBHNDTLY-QUCCMNQESA-N 2 1 364.534 0.628 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001196222167 1208067973 /nfs/dbraw/zinc/06/79/73/1208067973.db2.gz ICLRYGBXBCAJDZ-RTBURBONSA-N 2 1 361.486 0.525 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC001196222167 1208067974 /nfs/dbraw/zinc/06/79/74/1208067974.db2.gz ICLRYGBXBCAJDZ-RTBURBONSA-N 2 1 361.486 0.525 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000884244749 1210725749 /nfs/dbraw/zinc/72/57/49/1210725749.db2.gz KOARFLIZKCLRJR-KRWDZBQOSA-N 2 1 359.474 0.919 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000884244749 1210725752 /nfs/dbraw/zinc/72/57/52/1210725752.db2.gz KOARFLIZKCLRJR-KRWDZBQOSA-N 2 1 359.474 0.919 20 30 FCEDMP C#CCN(C(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CC[NH+](C)CC1 ZINC000886581057 1210832554 /nfs/dbraw/zinc/83/25/54/1210832554.db2.gz IQIVYMXWXMUSGW-IEBWSBKVSA-N 2 1 374.529 0.875 20 30 FCEDMP C=CCn1cc(C[N@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275972935 1211319161 /nfs/dbraw/zinc/31/91/61/1211319161.db2.gz IWKLGKGVCCHVDN-IBGZPJMESA-N 2 1 361.490 0.682 20 30 FCEDMP C=CCn1cc(C[N@@H+]2CCOC[C@@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275972935 1211319163 /nfs/dbraw/zinc/31/91/63/1211319163.db2.gz IWKLGKGVCCHVDN-IBGZPJMESA-N 2 1 361.490 0.682 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001067539350 1216685172 /nfs/dbraw/zinc/68/51/72/1216685172.db2.gz QOGIOILTBULIEA-KURKYZTESA-N 2 1 362.518 0.731 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001067539350 1216685177 /nfs/dbraw/zinc/68/51/77/1216685177.db2.gz QOGIOILTBULIEA-KURKYZTESA-N 2 1 362.518 0.731 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001067539350 1216685182 /nfs/dbraw/zinc/68/51/82/1216685182.db2.gz QOGIOILTBULIEA-KURKYZTESA-N 2 1 362.518 0.731 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001067539350 1216685185 /nfs/dbraw/zinc/68/51/85/1216685185.db2.gz QOGIOILTBULIEA-KURKYZTESA-N 2 1 362.518 0.731 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928951 1216848864 /nfs/dbraw/zinc/84/88/64/1216848864.db2.gz NCJHXVMSEPQSLO-KSZLIROESA-N 2 1 358.490 0.928 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CN(C(C)C)CCO3)C[C@@H]21 ZINC001223353616 1225700167 /nfs/dbraw/zinc/70/01/67/1225700167.db2.gz IAIVCBYXWAXCTB-CEXWTWQISA-N 2 1 363.502 0.668 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001223353616 1225700170 /nfs/dbraw/zinc/70/01/70/1225700170.db2.gz IAIVCBYXWAXCTB-CEXWTWQISA-N 2 1 363.502 0.668 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)C[C@@H]21 ZINC001223353616 1225700172 /nfs/dbraw/zinc/70/01/72/1225700172.db2.gz IAIVCBYXWAXCTB-CEXWTWQISA-N 2 1 363.502 0.668 20 30 FCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)C[C@@H]21 ZINC001223353616 1225700177 /nfs/dbraw/zinc/70/01/77/1225700177.db2.gz IAIVCBYXWAXCTB-CEXWTWQISA-N 2 1 363.502 0.668 20 30 FCEDMP COCC#CC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)C[C@@H]21 ZINC001223353616 1225700181 /nfs/dbraw/zinc/70/01/81/1225700181.db2.gz IAIVCBYXWAXCTB-CEXWTWQISA-N 2 1 363.502 0.668 20 30 FCEDMP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673658 1217948300 /nfs/dbraw/zinc/94/83/00/1217948300.db2.gz WHTDUMQTAHCZTA-KZNAEPCWSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673658 1217948307 /nfs/dbraw/zinc/94/83/07/1217948307.db2.gz WHTDUMQTAHCZTA-KZNAEPCWSA-N 2 1 363.502 0.716 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cnc(C#N)cn3)CC2)CC[N@@H+]1C ZINC001096259209 1218201949 /nfs/dbraw/zinc/20/19/49/1218201949.db2.gz RIDXXABKWRVNHF-NVXWUHKLSA-N 2 1 371.489 0.317 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cnc(C#N)cn3)CC2)CC[N@H+]1C ZINC001096259209 1218201952 /nfs/dbraw/zinc/20/19/52/1218201952.db2.gz RIDXXABKWRVNHF-NVXWUHKLSA-N 2 1 371.489 0.317 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCN(CC)C2=O)CC1 ZINC001096608489 1218576850 /nfs/dbraw/zinc/57/68/50/1218576850.db2.gz XTGSUSMZCGMGTF-YDZRNGNQSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)CC1 ZINC001096607712 1218576970 /nfs/dbraw/zinc/57/69/70/1218576970.db2.gz IVMKYZINYJGERI-OWSLCNJRSA-N 2 1 358.486 0.332 20 30 FCEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001226766286 1225854064 /nfs/dbraw/zinc/85/40/64/1225854064.db2.gz KXXYVFSWNVYYEK-GVDBMIGSSA-N 2 1 363.506 0.906 20 30 FCEDMP C=CCOCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055544475 1219074591 /nfs/dbraw/zinc/07/45/91/1219074591.db2.gz VYDUKTARWJNFQD-NVXWUHKLSA-N 2 1 366.506 0.226 20 30 FCEDMP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382800 1219407532 /nfs/dbraw/zinc/40/75/32/1219407532.db2.gz RKTGHUMNEHSLCS-LMMKCTJWSA-N 2 1 362.518 0.990 20 30 FCEDMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccnc(C#N)c3)C2)C1=O ZINC001277296296 1225917921 /nfs/dbraw/zinc/91/79/21/1225917921.db2.gz BHZMHBPFSABWOL-LJQANCHMSA-N 2 1 355.442 0.856 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H]2CCNC2=O)C3)CC1 ZINC001099174463 1219940243 /nfs/dbraw/zinc/94/02/43/1219940243.db2.gz OCGAQLCZIBQDFE-ZWOKBUDYSA-N 2 1 358.486 0.191 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H]2CCNC2=O)C3)CC1 ZINC001099174462 1219940754 /nfs/dbraw/zinc/94/07/54/1219940754.db2.gz OCGAQLCZIBQDFE-QKLQHJQFSA-N 2 1 358.486 0.191 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320819 1220287940 /nfs/dbraw/zinc/28/79/40/1220287940.db2.gz ZTZYCDVDWATIBV-UZLBHIALSA-N 2 1 362.518 0.943 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001101476464 1220368362 /nfs/dbraw/zinc/36/83/62/1220368362.db2.gz UHFSJNSCXMQHSN-HLIPFELVSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476464 1220368367 /nfs/dbraw/zinc/36/83/67/1220368367.db2.gz UHFSJNSCXMQHSN-HLIPFELVSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476464 1220368372 /nfs/dbraw/zinc/36/83/72/1220368372.db2.gz UHFSJNSCXMQHSN-HLIPFELVSA-N 2 1 360.502 0.391 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276388 1220569522 /nfs/dbraw/zinc/56/95/22/1220569522.db2.gz MMOWPJSJGRHUST-BRWVUGGUSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276388 1220569530 /nfs/dbraw/zinc/56/95/30/1220569530.db2.gz MMOWPJSJGRHUST-BRWVUGGUSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102276388 1220569535 /nfs/dbraw/zinc/56/95/35/1220569535.db2.gz MMOWPJSJGRHUST-BRWVUGGUSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102525076 1220680737 /nfs/dbraw/zinc/68/07/37/1220680737.db2.gz KGWZVQTWWWURNR-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525076 1220680738 /nfs/dbraw/zinc/68/07/38/1220680738.db2.gz KGWZVQTWWWURNR-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525076 1220680740 /nfs/dbraw/zinc/68/07/40/1220680740.db2.gz KGWZVQTWWWURNR-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102976891 1220815054 /nfs/dbraw/zinc/81/50/54/1220815054.db2.gz BOEXETHRHHMQFG-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102976891 1220815056 /nfs/dbraw/zinc/81/50/56/1220815056.db2.gz BOEXETHRHHMQFG-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102976891 1220815058 /nfs/dbraw/zinc/81/50/58/1220815058.db2.gz BOEXETHRHHMQFG-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993611 1220817642 /nfs/dbraw/zinc/81/76/42/1220817642.db2.gz CKBYCYQYQKOPTJ-OIISXLGYSA-N 2 1 361.490 0.042 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655793 1220931583 /nfs/dbraw/zinc/93/15/83/1220931583.db2.gz BIZYGHHPWRQPFX-KZNAEPCWSA-N 2 1 364.534 0.930 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001103752525 1220964023 /nfs/dbraw/zinc/96/40/23/1220964023.db2.gz KFZLMUYOBCBKDA-QZTJIDSGSA-N 2 1 362.518 0.686 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]2C)CC1 ZINC001103752414 1220964098 /nfs/dbraw/zinc/96/40/98/1220964098.db2.gz DRQPIKYIFWMINK-KBAYOESNSA-N 2 1 362.518 0.670 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)CC1 ZINC001103751917 1220964380 /nfs/dbraw/zinc/96/43/80/1220964380.db2.gz YZYNBOMOCIAJOX-IEBWSBKVSA-N 2 1 365.518 0.415 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111951122 1221182655 /nfs/dbraw/zinc/18/26/55/1221182655.db2.gz TYGXQPXISLRVPV-ZWOKBUDYSA-N 2 1 362.518 0.827 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111986109 1221194828 /nfs/dbraw/zinc/19/48/28/1221194828.db2.gz HXQJKPVHAJKANU-HBFSDRIKSA-N 2 1 363.502 0.575 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001111986109 1221194831 /nfs/dbraw/zinc/19/48/31/1221194831.db2.gz HXQJKPVHAJKANU-HBFSDRIKSA-N 2 1 363.502 0.575 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1 ZINC001112404238 1221253329 /nfs/dbraw/zinc/25/33/29/1221253329.db2.gz OONJRRHEMLZTKF-JPLJXNOCSA-N 2 1 363.502 0.310 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@H](O)COC)C1 ZINC001112404238 1221253331 /nfs/dbraw/zinc/25/33/31/1221253331.db2.gz OONJRRHEMLZTKF-JPLJXNOCSA-N 2 1 363.502 0.310 20 30 FCEDMP C#CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000839369626 1222734577 /nfs/dbraw/zinc/73/45/77/1222734577.db2.gz IYACOSLVENMYON-MSOLQXFVSA-N 2 1 362.518 0.874 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158412560 1223097327 /nfs/dbraw/zinc/09/73/27/1223097327.db2.gz PBUNMKJQXHYLGN-SOUVJXGZSA-N 2 1 367.494 0.213 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]CC2(CCNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001164582017 1223240232 /nfs/dbraw/zinc/24/02/32/1223240232.db2.gz CCPPIUUEWYWKRZ-ZACQAIPSSA-N 2 1 362.518 0.990 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164582288 1223240281 /nfs/dbraw/zinc/24/02/81/1223240281.db2.gz GFGYIQGPDDKWHQ-IXDOHACOSA-N 2 1 362.518 0.731 20 30 FCEDMP CCN(CCC#N)C(=O)CN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992678 1223402447 /nfs/dbraw/zinc/40/24/47/1223402447.db2.gz AFSHMPWKIPYUAJ-QBPKDAKJSA-N 2 1 363.506 0.525 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992678 1223402452 /nfs/dbraw/zinc/40/24/52/1223402452.db2.gz AFSHMPWKIPYUAJ-QBPKDAKJSA-N 2 1 363.506 0.525 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992678 1223402462 /nfs/dbraw/zinc/40/24/62/1223402462.db2.gz AFSHMPWKIPYUAJ-QBPKDAKJSA-N 2 1 363.506 0.525 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992678 1223402466 /nfs/dbraw/zinc/40/24/66/1223402466.db2.gz AFSHMPWKIPYUAJ-QBPKDAKJSA-N 2 1 363.506 0.525 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992678 1223402472 /nfs/dbraw/zinc/40/24/72/1223402472.db2.gz AFSHMPWKIPYUAJ-QBPKDAKJSA-N 2 1 363.506 0.525 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790398 1223479916 /nfs/dbraw/zinc/47/99/16/1223479916.db2.gz SGEAHVLCBLOQDV-QIIPPGSGSA-N 2 1 367.453 0.831 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790398 1223479918 /nfs/dbraw/zinc/47/99/18/1223479918.db2.gz SGEAHVLCBLOQDV-QIIPPGSGSA-N 2 1 367.453 0.831 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790394 1223480380 /nfs/dbraw/zinc/48/03/80/1223480380.db2.gz RZIJYDLKGVCUCT-NVXWUHKLSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001207790394 1223480383 /nfs/dbraw/zinc/48/03/83/1223480383.db2.gz RZIJYDLKGVCUCT-NVXWUHKLSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001207790394 1223480385 /nfs/dbraw/zinc/48/03/85/1223480385.db2.gz RZIJYDLKGVCUCT-NVXWUHKLSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001207790394 1223480388 /nfs/dbraw/zinc/48/03/88/1223480388.db2.gz RZIJYDLKGVCUCT-NVXWUHKLSA-N 2 1 362.518 0.825 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441631 1223546838 /nfs/dbraw/zinc/54/68/38/1223546838.db2.gz JYGPDIKVZMRDNF-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441631 1223546842 /nfs/dbraw/zinc/54/68/42/1223546842.db2.gz JYGPDIKVZMRDNF-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001214880402 1223951031 /nfs/dbraw/zinc/95/10/31/1223951031.db2.gz HGCSZBROZVZYQL-NXHRZFHOSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC2CCCC2)C1 ZINC001214880402 1223951032 /nfs/dbraw/zinc/95/10/32/1223951032.db2.gz HGCSZBROZVZYQL-NXHRZFHOSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001214880557 1223951792 /nfs/dbraw/zinc/95/17/92/1223951792.db2.gz OOIJNEQILUNBRO-NXHRZFHOSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC2CCC2)C1 ZINC001214880557 1223951795 /nfs/dbraw/zinc/95/17/95/1223951795.db2.gz OOIJNEQILUNBRO-NXHRZFHOSA-N 2 1 360.502 0.437 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@H]1C ZINC001215001868 1223963128 /nfs/dbraw/zinc/96/31/28/1223963128.db2.gz SAKSHLYDRCFIIS-HZPDHXFCSA-N 2 1 365.522 0.915 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215413357 1223997873 /nfs/dbraw/zinc/99/78/73/1223997873.db2.gz CQXPASQFZOHFJX-FRFSOERESA-N 2 1 359.474 0.493 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@H]1C ZINC001215544389 1224005529 /nfs/dbraw/zinc/00/55/29/1224005529.db2.gz SLDNGWYSRNQVJU-CRAIPNDOSA-N 2 1 360.458 0.970 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001215544509 1224005577 /nfs/dbraw/zinc/00/55/77/1224005577.db2.gz YGEJWLIPWYDLPU-UKPHBRMFSA-N 2 1 359.474 0.493 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215728228 1224014168 /nfs/dbraw/zinc/01/41/68/1224014168.db2.gz NPAQWFDDWMJUNQ-BZUAXINKSA-N 2 1 359.474 0.581 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383757 1224048115 /nfs/dbraw/zinc/04/81/15/1224048115.db2.gz PIRFUALUWMLDKQ-IXDOHACOSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993490 1224083137 /nfs/dbraw/zinc/08/31/37/1224083137.db2.gz HZAZKCVJGDASEV-ZIFCJYIRSA-N 2 1 370.497 0.693 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216993490 1224083139 /nfs/dbraw/zinc/08/31/39/1224083139.db2.gz HZAZKCVJGDASEV-ZIFCJYIRSA-N 2 1 370.497 0.693 20 30 FCEDMP N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000923378687 1245713532 /nfs/dbraw/zinc/71/35/32/1245713532.db2.gz WFYBVYILRQNPRM-CEXWTWQISA-N 2 1 369.469 0.812 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC000997769142 1251696583 /nfs/dbraw/zinc/69/65/83/1251696583.db2.gz HRXYLMWJBSZJIQ-BCYZHJNNSA-N 2 1 374.529 0.918 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC000997769142 1251696589 /nfs/dbraw/zinc/69/65/89/1251696589.db2.gz HRXYLMWJBSZJIQ-BCYZHJNNSA-N 2 1 374.529 0.918 20 30 FCEDMP C=CC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079267451 1255495283 /nfs/dbraw/zinc/49/52/83/1255495283.db2.gz WGLKGKJOJZVKBC-ZWKOTPCHSA-N 2 1 363.502 0.834 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N(C)C3CC3)C[C@H]2C)CC1 ZINC001080992360 1256130809 /nfs/dbraw/zinc/13/08/09/1256130809.db2.gz HBAYRCQCEIKTIG-CRAIPNDOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N(C)C3CC3)C[C@H]2C)CC1 ZINC001080992360 1256130814 /nfs/dbraw/zinc/13/08/14/1256130814.db2.gz HBAYRCQCEIKTIG-CRAIPNDOSA-N 2 1 360.502 0.389 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082457960 1256770538 /nfs/dbraw/zinc/77/05/38/1256770538.db2.gz QJJWIQOWDZBSOO-FSPWUOQZSA-N 2 1 360.433 0.964 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001082457960 1256770541 /nfs/dbraw/zinc/77/05/41/1256770541.db2.gz QJJWIQOWDZBSOO-FSPWUOQZSA-N 2 1 360.433 0.964 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001084851092 1258400371 /nfs/dbraw/zinc/40/03/71/1258400371.db2.gz MMIOBXKWHSQNCX-KZNAEPCWSA-N 2 1 358.486 0.143 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001084851092 1258400373 /nfs/dbraw/zinc/40/03/73/1258400373.db2.gz MMIOBXKWHSQNCX-KZNAEPCWSA-N 2 1 358.486 0.143 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088202335 1258724472 /nfs/dbraw/zinc/72/44/72/1258724472.db2.gz WESTWUCECDGXEF-SQNIBIBYSA-N 2 1 371.485 0.759 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@@H]3C2)C1=O ZINC001088202335 1258724478 /nfs/dbraw/zinc/72/44/78/1258724478.db2.gz WESTWUCECDGXEF-SQNIBIBYSA-N 2 1 371.485 0.759 20 30 FCEDMP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235326 1258750308 /nfs/dbraw/zinc/75/03/08/1258750308.db2.gz PFSXGLUVVWSCNT-BHIYHBOVSA-N 2 1 363.502 0.668 20 30 FCEDMP C#CC[NH+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235326 1258750313 /nfs/dbraw/zinc/75/03/13/1258750313.db2.gz PFSXGLUVVWSCNT-BHIYHBOVSA-N 2 1 363.502 0.668 20 30 FCEDMP C#CC[N@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235326 1258750320 /nfs/dbraw/zinc/75/03/20/1258750320.db2.gz PFSXGLUVVWSCNT-BHIYHBOVSA-N 2 1 363.502 0.668 20 30 FCEDMP C#CC[N@@H+]1CC[C@@H](OCC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001088235326 1258750326 /nfs/dbraw/zinc/75/03/26/1258750326.db2.gz PFSXGLUVVWSCNT-BHIYHBOVSA-N 2 1 363.502 0.668 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001100155929 1258906217 /nfs/dbraw/zinc/90/62/17/1258906217.db2.gz JERZWMXOPNWRRD-XUVXKRRUSA-N 2 1 371.481 0.933 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001100155929 1258906221 /nfs/dbraw/zinc/90/62/21/1258906221.db2.gz JERZWMXOPNWRRD-XUVXKRRUSA-N 2 1 371.481 0.933 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001106591307 1258927436 /nfs/dbraw/zinc/92/74/36/1258927436.db2.gz WRKAVNKUWSDZMP-HYVNUMGLSA-N 2 1 371.485 0.187 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715773 1258945958 /nfs/dbraw/zinc/94/59/58/1258945958.db2.gz KDKDWOLJJMQCBH-HZPDHXFCSA-N 2 1 361.490 0.993 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001107039812 1259022862 /nfs/dbraw/zinc/02/28/62/1259022862.db2.gz ZLWRRBLRJVLEFH-SZVBFZGTSA-N 2 1 371.485 0.613 20 30 FCEDMP C[NH+](C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2)C1CC1 ZINC001107439310 1259090553 /nfs/dbraw/zinc/09/05/53/1259090553.db2.gz VKVGQWKSTGNMPH-HHXXYDBFSA-N 2 1 361.490 0.327 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439316 1259090877 /nfs/dbraw/zinc/09/08/77/1259090877.db2.gz VPCGBGIIANHUAW-IMFGXOCKSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001107520708 1259107189 /nfs/dbraw/zinc/10/71/89/1259107189.db2.gz DHAUEQOZAGJOIV-VQIMIIECSA-N 2 1 362.518 0.991 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530462 1259109615 /nfs/dbraw/zinc/10/96/15/1259109615.db2.gz SVCQMNBKAIOOFN-YLJYHZDGSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546496 1259112544 /nfs/dbraw/zinc/11/25/44/1259112544.db2.gz FHGFVBNFKKLYKP-SQGPQFPESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546496 1259112549 /nfs/dbraw/zinc/11/25/49/1259112549.db2.gz FHGFVBNFKKLYKP-SQGPQFPESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CCC[C@@H]3C)CCC[C@@H]12 ZINC001107546496 1259112551 /nfs/dbraw/zinc/11/25/51/1259112551.db2.gz FHGFVBNFKKLYKP-SQGPQFPESA-N 2 1 360.502 0.581 20 30 FCEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246638805 1259657306 /nfs/dbraw/zinc/65/73/06/1259657306.db2.gz UFAQHWVSEGMRSR-FQEVSTJZSA-N 2 1 353.470 0.800 20 30 FCEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCN[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246638805 1259657314 /nfs/dbraw/zinc/65/73/14/1259657314.db2.gz UFAQHWVSEGMRSR-FQEVSTJZSA-N 2 1 353.470 0.800 20 30 FCEDMP CN1CCC([N@@H+]2C[C@@H]3[C@H](C2)OCCN3C(=O)C2(C#N)CCOCC2)CC1 ZINC001280069858 1260989313 /nfs/dbraw/zinc/98/93/13/1260989313.db2.gz BMDIRQPERYTSST-SJORKVTESA-N 2 1 362.474 0.313 20 30 FCEDMP C[NH+](C)CC#CCNC(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC001578413569 1275784700 /nfs/dbraw/zinc/78/47/00/1275784700.db2.gz PRXSLWSQQWLANE-UHFFFAOYSA-N 2 1 357.502 0.844 20 30 FCEDMP N#CC1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCC[NH+]2CCOCC2)CC1 ZINC001580042378 1277997844 /nfs/dbraw/zinc/99/78/44/1277997844.db2.gz SFLUREHZUIQMTF-CALCHBBNSA-N 2 1 373.505 0.945 20 30 FCEDMP COc1ccc(C[NH2+]C[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C#N ZINC001732645610 1288588631 /nfs/dbraw/zinc/58/86/31/1288588631.db2.gz PVSIHVQUNOQWMI-XOKHGSTOSA-N 2 1 360.458 0.474 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001692318686 1289446779 /nfs/dbraw/zinc/44/67/79/1289446779.db2.gz GJYFZBXLMBAGPK-OKZBNKHCSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCCC1 ZINC001698881087 1289539756 /nfs/dbraw/zinc/53/97/56/1289539756.db2.gz TULWPAUIKPRXCC-NXHRZFHOSA-N 2 1 362.518 0.731 20 30 FCEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001754242107 1290626016 /nfs/dbraw/zinc/62/60/16/1290626016.db2.gz JLRHGQYKHQSVMS-OIISXLGYSA-N 2 1 357.458 0.066 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001688984623 1294558737 /nfs/dbraw/zinc/55/87/37/1294558737.db2.gz HMLRXJWPDCMSLM-BBWFWOEESA-N 2 1 362.518 0.873 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1 ZINC001688984623 1294558745 /nfs/dbraw/zinc/55/87/45/1294558745.db2.gz HMLRXJWPDCMSLM-BBWFWOEESA-N 2 1 362.518 0.873 20 30 FCEDMP CC(=NNC1=[NH+]CCN1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000841659411 836549865 /nfs/dbraw/zinc/54/98/65/836549865.db2.gz OGMYFSJFMSPTNJ-UHFFFAOYSA-N 2 1 366.491 0.189 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101443647 844187470 /nfs/dbraw/zinc/18/74/70/844187470.db2.gz MQPKQROSFDJJBB-MDZRGWNJSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443647 844187476 /nfs/dbraw/zinc/18/74/76/844187476.db2.gz MQPKQROSFDJJBB-MDZRGWNJSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443647 844187481 /nfs/dbraw/zinc/18/74/81/844187481.db2.gz MQPKQROSFDJJBB-MDZRGWNJSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015128 838216359 /nfs/dbraw/zinc/21/63/59/838216359.db2.gz CQZZLYXCTANCJN-TVFCKZIOSA-N 2 1 351.491 0.471 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102290483 844459589 /nfs/dbraw/zinc/45/95/89/844459589.db2.gz GJJQCUTUKWOKOF-OWCLPIDISA-N 2 1 350.507 0.703 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581021 844574677 /nfs/dbraw/zinc/57/46/77/844574677.db2.gz VXPQQIZHWMEZNG-FGTMMUONSA-N 2 1 351.491 0.289 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908490 844958713 /nfs/dbraw/zinc/95/87/13/844958713.db2.gz ZAJKJSXEWGTNTB-IXDOHACOSA-N 2 1 350.507 0.705 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001276814991 861625271 /nfs/dbraw/zinc/62/52/71/861625271.db2.gz LUKARSZHIGCIEQ-RCCFBDPRSA-N 2 1 350.507 0.236 20 30 FCEDMP C=C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276814991 861625281 /nfs/dbraw/zinc/62/52/81/861625281.db2.gz LUKARSZHIGCIEQ-RCCFBDPRSA-N 2 1 350.507 0.236 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCC[NH+]1CCN(C)CC1 ZINC001276814991 861625289 /nfs/dbraw/zinc/62/52/89/861625289.db2.gz LUKARSZHIGCIEQ-RCCFBDPRSA-N 2 1 350.507 0.236 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001112586294 846532063 /nfs/dbraw/zinc/53/20/63/846532063.db2.gz RQEFWGYXDPNWDO-LPHOPBHVSA-N 2 1 350.507 0.847 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385673 848837981 /nfs/dbraw/zinc/83/79/81/848837981.db2.gz QLSUTMNQIDOUFC-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184370 848963600 /nfs/dbraw/zinc/96/36/00/848963600.db2.gz NJQSTHRCZQWMDA-OWCLPIDISA-N 2 1 354.495 0.224 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184370 848963608 /nfs/dbraw/zinc/96/36/08/848963608.db2.gz NJQSTHRCZQWMDA-OWCLPIDISA-N 2 1 354.495 0.224 20 30 FCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162320299 850307487 /nfs/dbraw/zinc/30/74/87/850307487.db2.gz JTQWLRJXABHXPQ-IAGOWNOFSA-N 2 1 351.491 0.574 20 30 FCEDMP CC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162320299 850307499 /nfs/dbraw/zinc/30/74/99/850307499.db2.gz JTQWLRJXABHXPQ-IAGOWNOFSA-N 2 1 351.491 0.574 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001189871022 851832678 /nfs/dbraw/zinc/83/26/78/851832678.db2.gz IDYBGDGZAMKABD-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218048635 855393058 /nfs/dbraw/zinc/39/30/58/855393058.db2.gz ILUOMQIDOMUIJZ-YESZJQIVSA-N 2 1 357.470 0.781 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]2C1 ZINC001218048635 855393060 /nfs/dbraw/zinc/39/30/60/855393060.db2.gz ILUOMQIDOMUIJZ-YESZJQIVSA-N 2 1 357.470 0.781 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]21 ZINC001222929423 856883367 /nfs/dbraw/zinc/88/33/67/856883367.db2.gz HGQPKZAOTFHVLW-RYRKJORJSA-N 2 1 350.507 0.798 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227149701 857146114 /nfs/dbraw/zinc/14/61/14/857146114.db2.gz DCYXMVPXENLSML-BZUAXINKSA-N 2 1 350.507 0.872 20 30 FCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246304167 857573921 /nfs/dbraw/zinc/57/39/21/857573921.db2.gz KBLYSWHCDAYXSC-KKUMJFAQSA-N 2 1 355.479 0.875 20 30 FCEDMP Cn1cc(C[N@H+]2CCC3(CN(C(=S)NCC[NH+](C)C)C3)C2)cc1C#N ZINC001279975058 863160584 /nfs/dbraw/zinc/16/05/84/863160584.db2.gz CKKARIVBIDKIMY-UHFFFAOYSA-N 2 1 360.531 0.841 20 30 FCEDMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)CC1 ZINC000424151618 247173267 /nfs/dbraw/zinc/17/32/67/247173267.db2.gz ICVYKQIUHVBRCD-KRWDZBQOSA-N 2 1 357.458 0.963 20 30 FCEDMP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[C@@H](C[NH+]3CCOCC3)C2)n1C ZINC000261661247 229285317 /nfs/dbraw/zinc/28/53/17/229285317.db2.gz ATCJNZSQXGNEIL-HNNXBMFYSA-N 2 1 361.494 0.386 20 30 FCEDMP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[N@@H+](C)C1 ZINC000329097983 488968804 /nfs/dbraw/zinc/96/88/04/488968804.db2.gz YRKXNZVULCXDJU-FJIDUMEYSA-N 2 1 368.522 0.929 20 30 FCEDMP C[N@H+](CCNC(=O)C1CC[NH+](CC(=O)NCC#N)CC1)Cc1ccccc1 ZINC000081156144 488439842 /nfs/dbraw/zinc/43/98/42/488439842.db2.gz MIWYTKQDGAHOHK-UHFFFAOYSA-N 2 1 371.485 0.586 20 30 FCEDMP C[N@@H+](CCNC(=O)C1CC[NH+](CC(=O)NCC#N)CC1)Cc1ccccc1 ZINC000081156144 488439843 /nfs/dbraw/zinc/43/98/43/488439843.db2.gz MIWYTKQDGAHOHK-UHFFFAOYSA-N 2 1 371.485 0.586 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(N)(=O)=O)cc1C ZINC000278076762 488799233 /nfs/dbraw/zinc/79/92/33/488799233.db2.gz WQMNSZRKAYLTPP-CQSZACIVSA-N 2 1 353.492 0.531 20 30 FCEDMP COc1ccc(CNC(=[NH2+])NCCC[N@H+](C)CCN(C)C)cc1OC ZINC000288651718 489001533 /nfs/dbraw/zinc/00/15/33/489001533.db2.gz FFWUANQURZBQLG-UHFFFAOYSA-N 2 1 351.495 0.992 20 30 FCEDMP COc1ccc(CNC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)cc1OC ZINC000288651718 489001536 /nfs/dbraw/zinc/00/15/36/489001536.db2.gz FFWUANQURZBQLG-UHFFFAOYSA-N 2 1 351.495 0.992 20 30 FCEDMP C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C1=CC[N@@H+](C)CC1 ZINC000329712904 489029432 /nfs/dbraw/zinc/02/94/32/489029432.db2.gz QSJQLLSRMTWDNP-RDJZCZTQSA-N 2 1 363.506 0.789 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[C@H]1C ZINC000329853151 489042366 /nfs/dbraw/zinc/04/23/66/489042366.db2.gz RWSPTQJYOUCURD-ATLSCFEFSA-N 2 1 368.522 0.665 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+](C)C/C=C/C[NH+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281179867 489059209 /nfs/dbraw/zinc/05/92/09/489059209.db2.gz ATKKZGPICQLZBG-BNPWSIICSA-N 2 1 360.502 0.980 20 30 FCEDMP C=CCN1CC[C@@H]([NH+](C)C/C=C/C[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281179867 489059210 /nfs/dbraw/zinc/05/92/10/489059210.db2.gz ATKKZGPICQLZBG-BNPWSIICSA-N 2 1 360.502 0.980 20 30 FCEDMP C=CCN1CC[C@@H]([NH+](C)C/C=C/C[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281179867 489059213 /nfs/dbraw/zinc/05/92/13/489059213.db2.gz ATKKZGPICQLZBG-BNPWSIICSA-N 2 1 360.502 0.980 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000333423145 489261269 /nfs/dbraw/zinc/26/12/69/489261269.db2.gz SVPCZHWEGRICOM-QGZVFWFLSA-N 2 1 363.506 0.633 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000363392870 489461529 /nfs/dbraw/zinc/46/15/29/489461529.db2.gz KQBYQBHKVOMHTR-ROUUACIJSA-N 2 1 360.502 0.487 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000363392870 489461532 /nfs/dbraw/zinc/46/15/32/489461532.db2.gz KQBYQBHKVOMHTR-ROUUACIJSA-N 2 1 360.502 0.487 20 30 FCEDMP NC(=O)CC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@H](CCC(N)=O)C2)C1 ZINC000429688190 489696625 /nfs/dbraw/zinc/69/66/25/489696625.db2.gz WGJYMMWBUCZOFR-QZTJIDSGSA-N 2 1 362.518 0.945 20 30 FCEDMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420002527 489878370 /nfs/dbraw/zinc/87/83/70/489878370.db2.gz WQKJHUIENXDNDF-HNNXBMFYSA-N 2 1 357.458 0.446 20 30 FCEDMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420002527 489878373 /nfs/dbraw/zinc/87/83/73/489878373.db2.gz WQKJHUIENXDNDF-HNNXBMFYSA-N 2 1 357.458 0.446 20 30 FCEDMP CN(CCCN1CCN(C)CC1)CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000571318605 491300203 /nfs/dbraw/zinc/30/02/03/491300203.db2.gz JAQYQEJDAJAEGN-UHFFFAOYSA-N 2 1 365.503 0.296 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000521087400 490223660 /nfs/dbraw/zinc/22/36/60/490223660.db2.gz CFABKDGUXFLGIK-INIZCTEOSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000521604323 490280090 /nfs/dbraw/zinc/28/00/90/490280090.db2.gz WRGWHXVXGRQOED-QGZVFWFLSA-N 2 1 365.522 0.879 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000514856106 490793417 /nfs/dbraw/zinc/79/34/17/490793417.db2.gz QZOBFYKWCMPCEK-LJQANCHMSA-N 2 1 373.501 0.370 20 30 FCEDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1C#N)C2 ZINC000530235900 490894735 /nfs/dbraw/zinc/89/47/35/490894735.db2.gz LJUJGJMMQXVEDU-DLBZAZTESA-N 2 1 370.453 0.942 20 30 FCEDMP CN(CCC#N)C[C@@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000518170874 490932034 /nfs/dbraw/zinc/93/20/34/490932034.db2.gz JCXCWBDCZFZRPJ-IBGZPJMESA-N 2 1 373.501 0.621 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000574592191 491507487 /nfs/dbraw/zinc/50/74/87/491507487.db2.gz LNYPQXVGHDSDFA-INIZCTEOSA-N 2 1 366.506 0.228 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)CC1 ZINC000583571312 491847761 /nfs/dbraw/zinc/84/77/61/491847761.db2.gz OXIRBAAMHKOIOI-UHFFFAOYSA-N 2 1 371.485 0.805 20 30 FCEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262680567 526349785 /nfs/dbraw/zinc/34/97/85/526349785.db2.gz SLRQAWORXJUOPU-QGZVFWFLSA-N 2 1 357.502 0.871 20 30 FCEDMP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262511869 526355862 /nfs/dbraw/zinc/35/58/62/526355862.db2.gz BMHDAVFXIXESDP-DLBZAZTESA-N 2 1 365.522 0.617 20 30 FCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261714994 526367299 /nfs/dbraw/zinc/36/72/99/526367299.db2.gz HQNCXKYLHJJKBV-QGZVFWFLSA-N 2 1 361.450 0.077 20 30 FCEDMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261733241 526383478 /nfs/dbraw/zinc/38/34/78/526383478.db2.gz JTQLGKKBUSJKDS-GXFFZTMASA-N 2 1 371.532 0.543 20 30 FCEDMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261733896 526383849 /nfs/dbraw/zinc/38/38/49/526383849.db2.gz JTQLGKKBUSJKDS-MFKMUULPSA-N 2 1 371.532 0.543 20 30 FCEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000262428102 526395343 /nfs/dbraw/zinc/39/53/43/526395343.db2.gz RYZVBVHNHGEQOU-USXIJHARSA-N 2 1 365.522 0.518 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@]2(CCOC2)C1 ZINC000248874445 529059159 /nfs/dbraw/zinc/05/91/59/529059159.db2.gz LLAIYZCBEAUQBT-VQIMIIECSA-N 2 1 365.522 0.617 20 30 FCEDMP CCN(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)C(=O)OC(C)(C)C ZINC000303975189 674574001 /nfs/dbraw/zinc/57/40/01/674574001.db2.gz ISWPQMOYNFYJRU-UHFFFAOYSA-N 2 1 357.499 0.870 20 30 FCEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039153 675682263 /nfs/dbraw/zinc/68/22/63/675682263.db2.gz SZWMBSINXYPSHT-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP C=CCC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039153 675682265 /nfs/dbraw/zinc/68/22/65/675682265.db2.gz SZWMBSINXYPSHT-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP C=CCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039153 675682268 /nfs/dbraw/zinc/68/22/68/675682268.db2.gz SZWMBSINXYPSHT-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP C=CCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039153 675682270 /nfs/dbraw/zinc/68/22/70/675682270.db2.gz SZWMBSINXYPSHT-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001167096414 1168210066 /nfs/dbraw/zinc/21/00/66/1168210066.db2.gz ZKEBKFSOEJWSGO-UHOSZYNNSA-N 2 1 370.497 0.566 20 30 FCEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104264751 1168847601 /nfs/dbraw/zinc/84/76/01/1168847601.db2.gz CSNUBKFQHLINQK-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001691116863 1170827549 /nfs/dbraw/zinc/82/75/49/1170827549.db2.gz ZSPDVRGGCBPIHH-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001211618098 1180025379 /nfs/dbraw/zinc/02/53/79/1180025379.db2.gz BNAHRJKAANDAHB-OTWHNJEPSA-N 2 1 368.481 0.414 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001211618098 1180025389 /nfs/dbraw/zinc/02/53/89/1180025389.db2.gz BNAHRJKAANDAHB-OTWHNJEPSA-N 2 1 368.481 0.414 20 30 FCEDMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083273808 1181736444 /nfs/dbraw/zinc/73/64/44/1181736444.db2.gz JCGFJTSNHWZXSS-CEXWTWQISA-N 2 1 354.454 0.922 20 30 FCEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083273808 1181736451 /nfs/dbraw/zinc/73/64/51/1181736451.db2.gz JCGFJTSNHWZXSS-CEXWTWQISA-N 2 1 354.454 0.922 20 30 FCEDMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083273808 1181736458 /nfs/dbraw/zinc/73/64/58/1181736458.db2.gz JCGFJTSNHWZXSS-CEXWTWQISA-N 2 1 354.454 0.922 20 30 FCEDMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@@H]32)C1 ZINC001083273808 1181736463 /nfs/dbraw/zinc/73/64/63/1181736463.db2.gz JCGFJTSNHWZXSS-CEXWTWQISA-N 2 1 354.454 0.922 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720945 1187467012 /nfs/dbraw/zinc/46/70/12/1187467012.db2.gz UBKXWXYHXFLDMM-CEXWTWQISA-N 2 1 370.497 0.825 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3OCCN(C(=O)CCC[NH+](C)C)[C@H]3C2)C1=O ZINC001218550701 1224171597 /nfs/dbraw/zinc/17/15/97/1224171597.db2.gz KGDCZPLLWAVNMC-IXDOHACOSA-N 2 1 364.490 0.027 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083472678 1193905370 /nfs/dbraw/zinc/90/53/70/1193905370.db2.gz LCQQITCZHNXGQT-AXUOBQJMSA-N 2 1 372.469 0.590 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083472678 1193905374 /nfs/dbraw/zinc/90/53/74/1193905374.db2.gz LCQQITCZHNXGQT-AXUOBQJMSA-N 2 1 372.469 0.590 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083472678 1193905379 /nfs/dbraw/zinc/90/53/79/1193905379.db2.gz LCQQITCZHNXGQT-AXUOBQJMSA-N 2 1 372.469 0.590 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083472678 1193905383 /nfs/dbraw/zinc/90/53/83/1193905383.db2.gz LCQQITCZHNXGQT-AXUOBQJMSA-N 2 1 372.469 0.590 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001076604905 1194593675 /nfs/dbraw/zinc/59/36/75/1194593675.db2.gz XCNGIPVPGXZEMJ-FUHWJXTLSA-N 2 1 358.486 0.143 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CC4)C[C@H]32)CC1 ZINC001076604905 1194593677 /nfs/dbraw/zinc/59/36/77/1194593677.db2.gz XCNGIPVPGXZEMJ-FUHWJXTLSA-N 2 1 358.486 0.143 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001076917417 1195076606 /nfs/dbraw/zinc/07/66/06/1195076606.db2.gz GQJURVYQPYPTCX-LZLYRXPVSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NCc1cn(CC)nn1 ZINC001085230242 1197717526 /nfs/dbraw/zinc/71/75/26/1197717526.db2.gz KVBRMRPOZBSQLD-KURKYZTESA-N 2 1 358.490 0.913 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106249281 1197782800 /nfs/dbraw/zinc/78/28/00/1197782800.db2.gz FTTCSAFEURTHQE-RBSFLKMASA-N 2 1 358.446 0.084 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ncnn2C)CC1 ZINC001085432569 1197899453 /nfs/dbraw/zinc/89/94/53/1197899453.db2.gz FIPNZQBFTZGUCD-IAGOWNOFSA-N 2 1 358.490 0.677 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799300 1200522995 /nfs/dbraw/zinc/52/29/95/1200522995.db2.gz SEXVVNQTNRPUTG-BGTYHANMSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799300 1200523004 /nfs/dbraw/zinc/52/30/04/1200523004.db2.gz SEXVVNQTNRPUTG-BGTYHANMSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557354 1200783636 /nfs/dbraw/zinc/78/36/36/1200783636.db2.gz BPHDKAONEGGJRV-ZWOKBUDYSA-N 2 1 362.518 0.684 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892382 1201416449 /nfs/dbraw/zinc/41/64/49/1201416449.db2.gz UVBZRPYRXIGDCA-OAGGEKHMSA-N 2 1 355.446 0.970 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001129894918 1201429213 /nfs/dbraw/zinc/42/92/13/1201429213.db2.gz XXHRZYOCVXFLNW-SJORKVTESA-N 2 1 362.478 0.307 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1n1ccnn1 ZINC001129949075 1201447565 /nfs/dbraw/zinc/44/75/65/1201447565.db2.gz NVHBSEROLFFEEH-MSOLQXFVSA-N 2 1 358.490 0.907 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001130030562 1201480865 /nfs/dbraw/zinc/48/08/65/1201480865.db2.gz GLYQMZONHDTSHE-SQNIBIBYSA-N 2 1 358.490 0.906 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130083698 1201493543 /nfs/dbraw/zinc/49/35/43/1201493543.db2.gz GENWXFGZRBPTKY-CEXWTWQISA-N 2 1 366.469 0.946 20 30 FCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC#CCOC)[C@@H](n2ccnn2)C1 ZINC001130096819 1201499004 /nfs/dbraw/zinc/49/90/04/1201499004.db2.gz SNBIIPOPPMXYNB-SJORKVTESA-N 2 1 362.478 0.001 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n2)O1 ZINC001130817556 1202808659 /nfs/dbraw/zinc/80/86/59/1202808659.db2.gz SKWQLBALMUHFDU-QLFBSQMISA-N 2 1 360.462 0.206 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817573 1202808714 /nfs/dbraw/zinc/80/87/14/1202808714.db2.gz TWSUGLQCHMWLDM-QLFBSQMISA-N 2 1 362.478 0.758 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817573 1202808716 /nfs/dbraw/zinc/80/87/16/1202808716.db2.gz TWSUGLQCHMWLDM-QLFBSQMISA-N 2 1 362.478 0.758 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817573 1202808718 /nfs/dbraw/zinc/80/87/18/1202808718.db2.gz TWSUGLQCHMWLDM-QLFBSQMISA-N 2 1 362.478 0.758 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131312969 1202887570 /nfs/dbraw/zinc/88/75/70/1202887570.db2.gz CPFVUJUMJLFWJU-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131312969 1202887573 /nfs/dbraw/zinc/88/75/73/1202887573.db2.gz CPFVUJUMJLFWJU-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C=CCOCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001131361763 1202890416 /nfs/dbraw/zinc/89/04/16/1202890416.db2.gz CKWVEZGBZMWDCA-IAGOWNOFSA-N 2 1 366.506 0.180 20 30 FCEDMP C=CCOCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361763 1202890417 /nfs/dbraw/zinc/89/04/17/1202890417.db2.gz CKWVEZGBZMWDCA-IAGOWNOFSA-N 2 1 366.506 0.180 20 30 FCEDMP C=CCOCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361763 1202890420 /nfs/dbraw/zinc/89/04/20/1202890420.db2.gz CKWVEZGBZMWDCA-IAGOWNOFSA-N 2 1 366.506 0.180 20 30 FCEDMP C=CCOCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361763 1202890422 /nfs/dbraw/zinc/89/04/22/1202890422.db2.gz CKWVEZGBZMWDCA-IAGOWNOFSA-N 2 1 366.506 0.180 20 30 FCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ccc(N2CC[NH2+][C@H](C)C2)nn1 ZINC001171068339 1203302913 /nfs/dbraw/zinc/30/29/13/1203302913.db2.gz WIDOUJKODFYADJ-CABCVRRESA-N 2 1 362.478 0.913 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090885452 1203331656 /nfs/dbraw/zinc/33/16/56/1203331656.db2.gz QEUUGCVOLIVTOK-ZCNNSNEGSA-N 2 1 371.481 0.933 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1ccc(OC)cc1 ZINC001090885452 1203331659 /nfs/dbraw/zinc/33/16/59/1203331659.db2.gz QEUUGCVOLIVTOK-ZCNNSNEGSA-N 2 1 371.481 0.933 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993911 1204885244 /nfs/dbraw/zinc/88/52/44/1204885244.db2.gz ZDTMRHMJTLSJCP-RCCFBDPRSA-N 2 1 359.474 0.047 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993911 1204885245 /nfs/dbraw/zinc/88/52/45/1204885245.db2.gz ZDTMRHMJTLSJCP-RCCFBDPRSA-N 2 1 359.474 0.047 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2C)CC1 ZINC001093223870 1206062337 /nfs/dbraw/zinc/06/23/37/1206062337.db2.gz IRUBEHXJDCUBRO-NVXWUHKLSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]2C)CC1 ZINC001093224446 1206063125 /nfs/dbraw/zinc/06/31/25/1206063125.db2.gz WLWBGIQULFOOQU-NXHRZFHOSA-N 2 1 360.502 0.246 20 30 FCEDMP C=C[C@@H](O)C[NH+]1CCC2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)CC1 ZINC001276815115 1224988236 /nfs/dbraw/zinc/98/82/36/1224988236.db2.gz NNPHACRSNVFSIR-GOSISDBHSA-N 2 1 364.534 0.485 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001188918896 1207487240 /nfs/dbraw/zinc/48/72/40/1207487240.db2.gz QQBFAHMABYMODI-RCCFBDPRSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001188918896 1207487243 /nfs/dbraw/zinc/48/72/43/1207487243.db2.gz QQBFAHMABYMODI-RCCFBDPRSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188918896 1207487245 /nfs/dbraw/zinc/48/72/45/1207487245.db2.gz QQBFAHMABYMODI-RCCFBDPRSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188918896 1207487246 /nfs/dbraw/zinc/48/72/46/1207487246.db2.gz QQBFAHMABYMODI-RCCFBDPRSA-N 2 1 362.518 0.943 20 30 FCEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]21)[NH+](C)C ZINC001189144104 1207511596 /nfs/dbraw/zinc/51/15/96/1207511596.db2.gz LQXQYTZUZKTTRK-YESZJQIVSA-N 2 1 363.506 0.621 20 30 FCEDMP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]21)[NH+](C)C ZINC001189144104 1207511600 /nfs/dbraw/zinc/51/16/00/1207511600.db2.gz LQXQYTZUZKTTRK-YESZJQIVSA-N 2 1 363.506 0.621 20 30 FCEDMP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220682981 1225011864 /nfs/dbraw/zinc/01/18/64/1225011864.db2.gz JNDWQDCAFPDMEZ-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220682981 1225011871 /nfs/dbraw/zinc/01/18/71/1225011871.db2.gz JNDWQDCAFPDMEZ-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220682981 1225011877 /nfs/dbraw/zinc/01/18/77/1225011877.db2.gz JNDWQDCAFPDMEZ-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP CC[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220682981 1225011889 /nfs/dbraw/zinc/01/18/89/1225011889.db2.gz JNDWQDCAFPDMEZ-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001190317654 1207674875 /nfs/dbraw/zinc/67/48/75/1207674875.db2.gz KNSBYRCVCKRTCV-NZSAHSFTSA-N 2 1 370.497 0.002 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001190317654 1207674878 /nfs/dbraw/zinc/67/48/78/1207674878.db2.gz KNSBYRCVCKRTCV-NZSAHSFTSA-N 2 1 370.497 0.002 20 30 FCEDMP C=CCCCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001194832738 1207977811 /nfs/dbraw/zinc/97/78/11/1207977811.db2.gz RHRPBITZNDZRBA-SYJBPTKTSA-N 2 1 363.502 0.757 20 30 FCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001194832738 1207977812 /nfs/dbraw/zinc/97/78/12/1207977812.db2.gz RHRPBITZNDZRBA-SYJBPTKTSA-N 2 1 363.502 0.757 20 30 FCEDMP C=CCCCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001194832738 1207977813 /nfs/dbraw/zinc/97/78/13/1207977813.db2.gz RHRPBITZNDZRBA-SYJBPTKTSA-N 2 1 363.502 0.757 20 30 FCEDMP N#Cc1ccccc1C(=O)N1CCC(NC(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001220915331 1225137795 /nfs/dbraw/zinc/13/77/95/1225137795.db2.gz WQIIMJXJIAEVRN-UHFFFAOYSA-N 2 1 369.469 0.621 20 30 FCEDMP C#CCN(C(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)C1CC[NH+](C)CC1 ZINC000886581059 1210832573 /nfs/dbraw/zinc/83/25/73/1210832573.db2.gz IQIVYMXWXMUSGW-PKOBYXMFSA-N 2 1 374.529 0.875 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000890368954 1210976168 /nfs/dbraw/zinc/97/61/68/1210976168.db2.gz OVLDAQUPCDLSIT-DLBZAZTESA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000890368954 1210976176 /nfs/dbraw/zinc/97/61/76/1210976176.db2.gz OVLDAQUPCDLSIT-DLBZAZTESA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000890368954 1210976180 /nfs/dbraw/zinc/97/61/80/1210976180.db2.gz OVLDAQUPCDLSIT-DLBZAZTESA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000890368954 1210976182 /nfs/dbraw/zinc/97/61/82/1210976182.db2.gz OVLDAQUPCDLSIT-DLBZAZTESA-N 2 1 361.490 0.032 20 30 FCEDMP Cn1cc(C[N@H+]2CCC[C@@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cc1C#N ZINC001275456008 1211242781 /nfs/dbraw/zinc/24/27/81/1211242781.db2.gz SQZBHGUIPBHLMG-LJQANCHMSA-N 2 1 357.458 0.799 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001110956301 1211614899 /nfs/dbraw/zinc/61/48/99/1211614899.db2.gz BRQCVVWNYSTOLH-WCXIOVBPSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001110956301 1211614904 /nfs/dbraw/zinc/61/49/04/1211614904.db2.gz BRQCVVWNYSTOLH-WCXIOVBPSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979821 1211683759 /nfs/dbraw/zinc/68/37/59/1211683759.db2.gz FFIRONKKPVRQDF-YJNKXOJESA-N 2 1 365.478 0.060 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979821 1211683761 /nfs/dbraw/zinc/68/37/61/1211683761.db2.gz FFIRONKKPVRQDF-YJNKXOJESA-N 2 1 365.478 0.060 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111038419 1211817600 /nfs/dbraw/zinc/81/76/00/1211817600.db2.gz AFMOIYBFEXFINL-MANSERQUSA-N 2 1 363.502 0.859 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001111038419 1211817601 /nfs/dbraw/zinc/81/76/01/1211817601.db2.gz AFMOIYBFEXFINL-MANSERQUSA-N 2 1 363.502 0.859 20 30 FCEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303893899 1213445608 /nfs/dbraw/zinc/44/56/08/1213445608.db2.gz SFLODZREZHRERB-QGZVFWFLSA-N 2 1 359.518 0.930 20 30 FCEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303893899 1213445614 /nfs/dbraw/zinc/44/56/14/1213445614.db2.gz SFLODZREZHRERB-QGZVFWFLSA-N 2 1 359.518 0.930 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891651 1225663757 /nfs/dbraw/zinc/66/37/57/1225663757.db2.gz ICIQQDCZQIZQRN-IKGGRYGDSA-N 2 1 369.469 0.433 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069928952 1216848754 /nfs/dbraw/zinc/84/87/54/1216848754.db2.gz NCJHXVMSEPQSLO-KURKYZTESA-N 2 1 358.490 0.928 20 30 FCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006318 1216893674 /nfs/dbraw/zinc/89/36/74/1216893674.db2.gz PPIUONQSGJVDJG-IXDOHACOSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006318 1216893675 /nfs/dbraw/zinc/89/36/75/1216893675.db2.gz PPIUONQSGJVDJG-IXDOHACOSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006318 1216893676 /nfs/dbraw/zinc/89/36/76/1216893676.db2.gz PPIUONQSGJVDJG-IXDOHACOSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006318 1216893678 /nfs/dbraw/zinc/89/36/78/1216893678.db2.gz PPIUONQSGJVDJG-IXDOHACOSA-N 2 1 362.478 0.305 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)C[C@@H]21 ZINC001224221793 1225765270 /nfs/dbraw/zinc/76/52/70/1225765270.db2.gz BZXZHYMWHWPRNT-MJGOQNOKSA-N 2 1 370.497 0.004 20 30 FCEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384521 1218136275 /nfs/dbraw/zinc/13/62/75/1218136275.db2.gz WFYWLPYWJXSDIS-XWSJACJDSA-N 2 1 363.502 0.260 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001225346789 1225807898 /nfs/dbraw/zinc/80/78/98/1225807898.db2.gz RRQLPRGXOCZBIR-RBSFLKMASA-N 2 1 365.478 0.109 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)NC2CC2)CC1 ZINC001096605123 1218574809 /nfs/dbraw/zinc/57/48/09/1218574809.db2.gz BRWZVKZXMPXXGH-OAOYMFHYSA-N 2 1 372.513 0.720 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)NC2CC2)CC1 ZINC001096605123 1218574818 /nfs/dbraw/zinc/57/48/18/1218574818.db2.gz BRWZVKZXMPXXGH-OAOYMFHYSA-N 2 1 372.513 0.720 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454231 1218837853 /nfs/dbraw/zinc/83/78/53/1218837853.db2.gz RNDMLMKTXOVJMX-TVFCKZIOSA-N 2 1 360.502 0.722 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454231 1218837856 /nfs/dbraw/zinc/83/78/56/1218837856.db2.gz RNDMLMKTXOVJMX-TVFCKZIOSA-N 2 1 360.502 0.722 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)CC)CC1 ZINC001111455300 1218847468 /nfs/dbraw/zinc/84/74/68/1218847468.db2.gz WVCXQXLXPVFRMZ-KURKYZTESA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)CC)CC1 ZINC001111455300 1218847469 /nfs/dbraw/zinc/84/74/69/1218847469.db2.gz WVCXQXLXPVFRMZ-KURKYZTESA-N 2 1 360.502 0.531 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C2CCN(CC#N)CC2)CC[N@H+]1C ZINC001052990028 1218870296 /nfs/dbraw/zinc/87/02/96/1218870296.db2.gz IIVYYTLMVJPCTF-OQIJWPOYSA-N 2 1 359.518 0.990 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CC#N)CC2)CC[NH+]1C ZINC001052990028 1218870297 /nfs/dbraw/zinc/87/02/97/1218870297.db2.gz IIVYYTLMVJPCTF-OQIJWPOYSA-N 2 1 359.518 0.990 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CCN(CC#N)CC2)CC[NH+]1C ZINC001052990028 1218870299 /nfs/dbraw/zinc/87/02/99/1218870299.db2.gz IIVYYTLMVJPCTF-OQIJWPOYSA-N 2 1 359.518 0.990 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001226860967 1225855905 /nfs/dbraw/zinc/85/59/05/1225855905.db2.gz WRXYBLROQSJFBZ-KURKYZTESA-N 2 1 360.502 0.722 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC001226860967 1225855909 /nfs/dbraw/zinc/85/59/09/1225855909.db2.gz WRXYBLROQSJFBZ-KURKYZTESA-N 2 1 360.502 0.722 20 30 FCEDMP CC(C)C#CC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055573074 1219083099 /nfs/dbraw/zinc/08/30/99/1219083099.db2.gz PIRKUVYOVFJIDZ-SJLPKXTDSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199311 1219288429 /nfs/dbraw/zinc/28/84/29/1219288429.db2.gz REHKTQZQOIRDJX-ZACQAIPSSA-N 2 1 370.461 0.609 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)C[C@@H]1n1ccnn1 ZINC001070199311 1219288431 /nfs/dbraw/zinc/28/84/31/1219288431.db2.gz REHKTQZQOIRDJX-ZACQAIPSSA-N 2 1 370.461 0.609 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001070208866 1219294156 /nfs/dbraw/zinc/29/41/56/1219294156.db2.gz ATPJSXQXANLQDB-PMPSAXMXSA-N 2 1 355.446 0.970 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070333628 1219382965 /nfs/dbraw/zinc/38/29/65/1219382965.db2.gz KTYJVHVLCMQXFF-SQNIBIBYSA-N 2 1 352.442 0.556 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC)CC1 ZINC001070372996 1219403086 /nfs/dbraw/zinc/40/30/86/1219403086.db2.gz TWYVAZQRPIZGNS-AOIWGVFYSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH+](CC)CC1 ZINC001070372996 1219403089 /nfs/dbraw/zinc/40/30/89/1219403089.db2.gz TWYVAZQRPIZGNS-AOIWGVFYSA-N 2 1 360.502 0.579 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670578 1219517460 /nfs/dbraw/zinc/51/74/60/1219517460.db2.gz ZMOQMWCQANNZIZ-PPYPDYFKSA-N 2 1 371.485 0.353 20 30 FCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924840 1219582275 /nfs/dbraw/zinc/58/22/75/1219582275.db2.gz VBAPAMZSNHUQDW-ZACQAIPSSA-N 2 1 362.474 0.764 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924840 1219582279 /nfs/dbraw/zinc/58/22/79/1219582279.db2.gz VBAPAMZSNHUQDW-ZACQAIPSSA-N 2 1 362.474 0.764 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001098223574 1219743939 /nfs/dbraw/zinc/74/39/39/1219743939.db2.gz RQOIFNDFVBJPGE-WCXIOVBPSA-N 2 1 358.486 0.591 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001098223574 1219743944 /nfs/dbraw/zinc/74/39/44/1219743944.db2.gz RQOIFNDFVBJPGE-WCXIOVBPSA-N 2 1 358.486 0.591 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C[C@]2(C)C1 ZINC001101241110 1220241977 /nfs/dbraw/zinc/24/19/77/1220241977.db2.gz QXTNNQFARKGGHP-HLIPFELVSA-N 2 1 360.502 0.411 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365718 1220304078 /nfs/dbraw/zinc/30/40/78/1220304078.db2.gz GCPUKYCIMAABGB-UZLBHIALSA-N 2 1 362.518 0.801 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365718 1220304085 /nfs/dbraw/zinc/30/40/85/1220304085.db2.gz GCPUKYCIMAABGB-UZLBHIALSA-N 2 1 362.518 0.801 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365718 1220304092 /nfs/dbraw/zinc/30/40/92/1220304092.db2.gz GCPUKYCIMAABGB-UZLBHIALSA-N 2 1 362.518 0.801 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101438581 1220345239 /nfs/dbraw/zinc/34/52/39/1220345239.db2.gz HLINUDXCXUDPES-QKLQHJQFSA-N 2 1 362.518 0.637 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101438581 1220345244 /nfs/dbraw/zinc/34/52/44/1220345244.db2.gz HLINUDXCXUDPES-QKLQHJQFSA-N 2 1 362.518 0.637 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101438581 1220345251 /nfs/dbraw/zinc/34/52/51/1220345251.db2.gz HLINUDXCXUDPES-QKLQHJQFSA-N 2 1 362.518 0.637 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045281 1220476396 /nfs/dbraw/zinc/47/63/96/1220476396.db2.gz ZXAYFRBBBGFWRC-KZNAEPCWSA-N 2 1 361.490 0.147 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045281 1220476400 /nfs/dbraw/zinc/47/64/00/1220476400.db2.gz ZXAYFRBBBGFWRC-KZNAEPCWSA-N 2 1 361.490 0.147 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC001102112764 1220502894 /nfs/dbraw/zinc/50/28/94/1220502894.db2.gz FPUHPWGAIOTOHP-KZNAEPCWSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102112764 1220502899 /nfs/dbraw/zinc/50/28/99/1220502899.db2.gz FPUHPWGAIOTOHP-KZNAEPCWSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H](C)C1 ZINC001102112764 1220502906 /nfs/dbraw/zinc/50/29/06/1220502906.db2.gz FPUHPWGAIOTOHP-KZNAEPCWSA-N 2 1 362.518 0.540 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccn2c[nH+]cc2c1 ZINC001102122959 1220510503 /nfs/dbraw/zinc/51/05/03/1220510503.db2.gz WKJMOASQRDPBFP-UKRRQHHQSA-N 2 1 354.414 0.272 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001102264265 1220565704 /nfs/dbraw/zinc/56/57/04/1220565704.db2.gz CGURIHZELDNBGH-FGTMMUONSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264265 1220565707 /nfs/dbraw/zinc/56/57/07/1220565707.db2.gz CGURIHZELDNBGH-FGTMMUONSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264265 1220565709 /nfs/dbraw/zinc/56/57/09/1220565709.db2.gz CGURIHZELDNBGH-FGTMMUONSA-N 2 1 362.518 0.542 20 30 FCEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C)[NH+](C)C ZINC001102376987 1220600788 /nfs/dbraw/zinc/60/07/88/1220600788.db2.gz IAXYVEJEHTUGRU-ZACQAIPSSA-N 2 1 365.522 0.773 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472068 1220641566 /nfs/dbraw/zinc/64/15/66/1220641566.db2.gz GKLZLDOXVDMFMK-LMMKCTJWSA-N 2 1 364.534 0.786 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142058 1225983819 /nfs/dbraw/zinc/98/38/19/1225983819.db2.gz PIDUMHQQAXYBLQ-BRWVUGGUSA-N 2 1 366.506 0.416 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)N(C)CC)C[C@H]2C)CC1 ZINC001102598043 1220719743 /nfs/dbraw/zinc/71/97/43/1220719743.db2.gz LRRQAVGYUYGLTE-SJLPKXTDSA-N 2 1 362.518 0.494 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001103060311 1220826426 /nfs/dbraw/zinc/82/64/26/1220826426.db2.gz FWSRRLIEIDWWJV-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060311 1220826427 /nfs/dbraw/zinc/82/64/27/1220826427.db2.gz FWSRRLIEIDWWJV-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001103060311 1220826429 /nfs/dbraw/zinc/82/64/29/1220826429.db2.gz FWSRRLIEIDWWJV-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001103098735 1220832819 /nfs/dbraw/zinc/83/28/19/1220832819.db2.gz HRSVIQKOAFHOMD-NUJGCVRESA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1C ZINC001103098735 1220832820 /nfs/dbraw/zinc/83/28/20/1220832820.db2.gz HRSVIQKOAFHOMD-NUJGCVRESA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001103098735 1220832824 /nfs/dbraw/zinc/83/28/24/1220832824.db2.gz HRSVIQKOAFHOMD-NUJGCVRESA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC2CC2)C[C@H]1C ZINC001103098735 1220832826 /nfs/dbraw/zinc/83/28/26/1220832826.db2.gz HRSVIQKOAFHOMD-NUJGCVRESA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC=C)C[C@H]1C ZINC001103103432 1220834334 /nfs/dbraw/zinc/83/43/34/1220834334.db2.gz IXCUZZQEBULNLB-KURKYZTESA-N 2 1 360.502 0.460 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC=C)C[C@H]1C ZINC001103103432 1220834336 /nfs/dbraw/zinc/83/43/36/1220834336.db2.gz IXCUZZQEBULNLB-KURKYZTESA-N 2 1 360.502 0.460 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCC=C)C[C@H]1C ZINC001103103432 1220834337 /nfs/dbraw/zinc/83/43/37/1220834337.db2.gz IXCUZZQEBULNLB-KURKYZTESA-N 2 1 360.502 0.460 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCC=C)C[C@H]1C ZINC001103103432 1220834338 /nfs/dbraw/zinc/83/43/38/1220834338.db2.gz IXCUZZQEBULNLB-KURKYZTESA-N 2 1 360.502 0.460 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103364370 1220871545 /nfs/dbraw/zinc/87/15/45/1220871545.db2.gz HOKLHGDXZDBLST-QRVBRYPASA-N 2 1 365.518 0.820 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103364370 1220871548 /nfs/dbraw/zinc/87/15/48/1220871548.db2.gz HOKLHGDXZDBLST-QRVBRYPASA-N 2 1 365.518 0.820 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001103364370 1220871549 /nfs/dbraw/zinc/87/15/49/1220871549.db2.gz HOKLHGDXZDBLST-QRVBRYPASA-N 2 1 365.518 0.820 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CCC[NH+]1CCCC1 ZINC001103751928 1220964492 /nfs/dbraw/zinc/96/44/92/1220964492.db2.gz ZLAZSGZCYOKXFV-IAGOWNOFSA-N 2 1 363.506 0.576 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001111891400 1221153118 /nfs/dbraw/zinc/15/31/18/1221153118.db2.gz PYZSKHMRHOAZSZ-PXNSSMCTSA-N 2 1 362.518 0.991 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001112003883 1221197860 /nfs/dbraw/zinc/19/78/60/1221197860.db2.gz FUGCFUFCJYZYFL-RXVVDRJESA-N 2 1 370.497 0.052 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001112003883 1221197863 /nfs/dbraw/zinc/19/78/63/1221197863.db2.gz FUGCFUFCJYZYFL-RXVVDRJESA-N 2 1 370.497 0.052 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112404336 1221253236 /nfs/dbraw/zinc/25/32/36/1221253236.db2.gz WYLSRENZMQFPKT-ZWOKBUDYSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)N(C)C)C1 ZINC001112404336 1221253240 /nfs/dbraw/zinc/25/32/40/1221253240.db2.gz WYLSRENZMQFPKT-ZWOKBUDYSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000841911027 1222831621 /nfs/dbraw/zinc/83/16/21/1222831621.db2.gz WVRFGUWSVSYDBU-IRXDYDNUSA-N 2 1 363.506 0.231 20 30 FCEDMP N#Cc1c(NCc2cc(=O)n3c(n2)C[NH2+]CCC3)ncc2c1CCC[NH2+]C2 ZINC001155487405 1223035740 /nfs/dbraw/zinc/03/57/40/1223035740.db2.gz CPZMJHGWKKYMLU-UHFFFAOYSA-N 2 1 365.441 0.651 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682846 1223471044 /nfs/dbraw/zinc/47/10/44/1223471044.db2.gz WQWMMOCVIPMGBV-BRWVUGGUSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682846 1223471047 /nfs/dbraw/zinc/47/10/47/1223471047.db2.gz WQWMMOCVIPMGBV-BRWVUGGUSA-N 2 1 360.502 0.437 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434956 1223545144 /nfs/dbraw/zinc/54/51/44/1223545144.db2.gz LBQOYWPEOYVLGJ-IAGOWNOFSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208434956 1223545146 /nfs/dbraw/zinc/54/51/46/1223545146.db2.gz LBQOYWPEOYVLGJ-IAGOWNOFSA-N 2 1 362.518 0.965 20 30 FCEDMP C=C(C)CN1C[C@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276629954 1223607914 /nfs/dbraw/zinc/60/79/14/1223607914.db2.gz HMQDXQWRTIJNDL-HXUWFJFHSA-N 2 1 364.534 0.751 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NCCCC)C[C@H]2C)CC1 ZINC001211307716 1223733646 /nfs/dbraw/zinc/73/36/46/1223733646.db2.gz WVRZRECTMWLPSA-SJLPKXTDSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCCCC)C[C@H]2C)CC1 ZINC001211307716 1223733650 /nfs/dbraw/zinc/73/36/50/1223733650.db2.gz WVRZRECTMWLPSA-SJLPKXTDSA-N 2 1 362.518 0.684 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389331 1223906480 /nfs/dbraw/zinc/90/64/80/1223906480.db2.gz VWFDACFIYCYVLB-BRWVUGGUSA-N 2 1 366.506 0.178 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389331 1223906484 /nfs/dbraw/zinc/90/64/84/1223906484.db2.gz VWFDACFIYCYVLB-BRWVUGGUSA-N 2 1 366.506 0.178 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214389333 1223906961 /nfs/dbraw/zinc/90/69/61/1223906961.db2.gz VWFDACFIYCYVLB-ZACQAIPSSA-N 2 1 366.506 0.178 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214389333 1223906965 /nfs/dbraw/zinc/90/69/65/1223906965.db2.gz VWFDACFIYCYVLB-ZACQAIPSSA-N 2 1 366.506 0.178 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2nc(C)no2)C1 ZINC001214880870 1223951738 /nfs/dbraw/zinc/95/17/38/1223951738.db2.gz XSFWCBYJIMPSTL-OIISXLGYSA-N 2 1 359.474 0.845 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCc2nc(C)no2)C1 ZINC001214880870 1223951741 /nfs/dbraw/zinc/95/17/41/1223951741.db2.gz XSFWCBYJIMPSTL-OIISXLGYSA-N 2 1 359.474 0.845 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215541264 1224005160 /nfs/dbraw/zinc/00/51/60/1224005160.db2.gz WQVSJHBOUMSUML-HBUWYVDXSA-N 2 1 367.469 0.275 20 30 FCEDMP C#Cc1cccc(NC(=O)C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C)c1 ZINC001216754177 1224068578 /nfs/dbraw/zinc/06/85/78/1224068578.db2.gz JZGQWJOLJORSTA-HHXXYDBFSA-N 2 1 368.481 0.995 20 30 FCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283157 1245704415 /nfs/dbraw/zinc/70/44/15/1245704415.db2.gz SHCJYNJUOKYTJA-ROUUACIJSA-N 2 1 372.469 0.442 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)C1 ZINC000923575300 1245731169 /nfs/dbraw/zinc/73/11/69/1245731169.db2.gz MTQFJONHCLHJSM-OKZBNKHCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)C1 ZINC000923575300 1245731179 /nfs/dbraw/zinc/73/11/79/1245731179.db2.gz MTQFJONHCLHJSM-OKZBNKHCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)C1 ZINC000923575300 1245731185 /nfs/dbraw/zinc/73/11/85/1245731185.db2.gz MTQFJONHCLHJSM-OKZBNKHCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[NH+]3CC)C2)C1 ZINC000923575300 1245731190 /nfs/dbraw/zinc/73/11/90/1245731190.db2.gz MTQFJONHCLHJSM-OKZBNKHCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999985756 1252258143 /nfs/dbraw/zinc/25/81/43/1252258143.db2.gz FCPFVXMLRIRVKY-FGTMMUONSA-N 2 1 358.490 0.895 20 30 FCEDMP C#CCC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999985756 1252258155 /nfs/dbraw/zinc/25/81/55/1252258155.db2.gz FCPFVXMLRIRVKY-FGTMMUONSA-N 2 1 358.490 0.895 20 30 FCEDMP C#CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999985756 1252258168 /nfs/dbraw/zinc/25/81/68/1252258168.db2.gz FCPFVXMLRIRVKY-FGTMMUONSA-N 2 1 358.490 0.895 20 30 FCEDMP C=CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)nn2)C1 ZINC001000022272 1252269917 /nfs/dbraw/zinc/26/99/17/1252269917.db2.gz UOEKHPHBZMFTSO-ARFHVFGLSA-N 2 1 355.446 0.864 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@H]2O)CC1 ZINC001078227181 1255339742 /nfs/dbraw/zinc/33/97/42/1255339742.db2.gz MZEQIJSHVXSUTM-WOJBJXKFSA-N 2 1 355.482 0.736 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@H]2O)CC1 ZINC001078227383 1255341413 /nfs/dbraw/zinc/34/14/13/1255341413.db2.gz XJZHKKZWFISSBH-JDGDGYACSA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)nc3C)C[C@H]2O)CC1 ZINC001078228137 1255342560 /nfs/dbraw/zinc/34/25/60/1255342560.db2.gz FDUZUZRIPGVHGK-WOJBJXKFSA-N 2 1 370.497 0.705 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)nc3C)C[C@H]2O)CC1 ZINC001078228137 1255342569 /nfs/dbraw/zinc/34/25/69/1255342569.db2.gz FDUZUZRIPGVHGK-WOJBJXKFSA-N 2 1 370.497 0.705 20 30 FCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001079130002 1255443997 /nfs/dbraw/zinc/44/39/97/1255443997.db2.gz RPTOVFAMCXQHMW-QRVBRYPASA-N 2 1 359.470 0.577 20 30 FCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC001079130002 1255443999 /nfs/dbraw/zinc/44/39/99/1255443999.db2.gz RPTOVFAMCXQHMW-QRVBRYPASA-N 2 1 359.470 0.577 20 30 FCEDMP C#CC[NH+]1CCC2(CN(C(=O)CC[NH+]3CCOCC3)[C@@H]3COC[C@@H]32)CC1 ZINC001079267387 1255494698 /nfs/dbraw/zinc/49/46/98/1255494698.db2.gz UTYLTTZCSGPPLV-ZWKOTPCHSA-N 2 1 361.486 0.281 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCO)C1 ZINC001079298699 1255502697 /nfs/dbraw/zinc/50/26/97/1255502697.db2.gz BNIBUWPEOYXHAK-UHOSZYNNSA-N 2 1 359.445 0.800 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH2+]CCO)C1 ZINC001079298699 1255502701 /nfs/dbraw/zinc/50/27/01/1255502701.db2.gz BNIBUWPEOYXHAK-UHOSZYNNSA-N 2 1 359.445 0.800 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148679 1257403062 /nfs/dbraw/zinc/40/30/62/1257403062.db2.gz AEFJZXVXPYVXKN-VVJOJPPRSA-N 2 1 361.486 0.727 20 30 FCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148679 1257403069 /nfs/dbraw/zinc/40/30/69/1257403069.db2.gz AEFJZXVXPYVXKN-VVJOJPPRSA-N 2 1 361.486 0.727 20 30 FCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148679 1257403074 /nfs/dbraw/zinc/40/30/74/1257403074.db2.gz AEFJZXVXPYVXKN-VVJOJPPRSA-N 2 1 361.486 0.727 20 30 FCEDMP N#CCOc1ccc(C[N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1 ZINC001083958526 1257748177 /nfs/dbraw/zinc/74/81/77/1257748177.db2.gz KLMPSUSSXZPZKM-MSOLQXFVSA-N 2 1 370.453 0.346 20 30 FCEDMP N#CCOc1ccc(C[N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)cc1 ZINC001083958526 1257748180 /nfs/dbraw/zinc/74/81/80/1257748180.db2.gz KLMPSUSSXZPZKM-MSOLQXFVSA-N 2 1 370.453 0.346 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@@H]2O)CC1 ZINC001084090432 1257915107 /nfs/dbraw/zinc/91/51/07/1257915107.db2.gz ZERAQQWXRIZODB-MOPGFXCFSA-N 2 1 363.502 0.310 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC#N)CC3)CC[N@H+]1C ZINC001107410745 1259079827 /nfs/dbraw/zinc/07/98/27/1259079827.db2.gz OIPWMSJPLDIUIB-YKTARERQSA-N 2 1 361.490 0.327 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)CC[NH+]1C ZINC001107410745 1259079835 /nfs/dbraw/zinc/07/98/35/1259079835.db2.gz OIPWMSJPLDIUIB-YKTARERQSA-N 2 1 361.490 0.327 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)CC[NH+]1C ZINC001107410745 1259079846 /nfs/dbraw/zinc/07/98/46/1259079846.db2.gz OIPWMSJPLDIUIB-YKTARERQSA-N 2 1 361.490 0.327 20 30 FCEDMP C[NH+](C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2)C1CC1 ZINC001107439311 1259090992 /nfs/dbraw/zinc/09/09/92/1259090992.db2.gz VKVGQWKSTGNMPH-SZVBFZGTSA-N 2 1 361.490 0.327 20 30 FCEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC#CCOC)CC3)C1 ZINC001107638812 1259140208 /nfs/dbraw/zinc/14/02/08/1259140208.db2.gz NDLIAYOJKGGIGL-QWFCFKBJSA-N 2 1 363.502 0.718 20 30 FCEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC#CCOC)CC3)C1 ZINC001107638812 1259140214 /nfs/dbraw/zinc/14/02/14/1259140214.db2.gz NDLIAYOJKGGIGL-QWFCFKBJSA-N 2 1 363.502 0.718 20 30 FCEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)C1 ZINC001107638812 1259140219 /nfs/dbraw/zinc/14/02/19/1259140219.db2.gz NDLIAYOJKGGIGL-QWFCFKBJSA-N 2 1 363.502 0.718 20 30 FCEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC#CCOC)CC3)C1 ZINC001107638812 1259140222 /nfs/dbraw/zinc/14/02/22/1259140222.db2.gz NDLIAYOJKGGIGL-QWFCFKBJSA-N 2 1 363.502 0.718 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219890 1259347593 /nfs/dbraw/zinc/34/75/93/1259347593.db2.gz MNDMXLKHTCPYNN-SJORKVTESA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCN(CC[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1)C(=O)OCC ZINC001236021677 1259585896 /nfs/dbraw/zinc/58/58/96/1259585896.db2.gz GPCLNHWQEDXJMT-OLMMMNRUSA-N 2 1 365.474 0.961 20 30 FCEDMP N#CCCC[NH+]1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCn3ccnc3)C[C@@H]12 ZINC001280182462 1261023588 /nfs/dbraw/zinc/02/35/88/1261023588.db2.gz ULWUVSFLPOZXLU-IRXDYDNUSA-N 2 1 356.474 0.699 20 30 FCEDMP C[NH+]1CCN(c2ncc(C[NH2+]CCNc3ncccc3C#N)cn2)CC1 ZINC001319690511 1263722247 /nfs/dbraw/zinc/72/22/47/1263722247.db2.gz LTLDHXVDGMRHFI-UHFFFAOYSA-N 2 1 352.446 0.697 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001326598697 1265140299 /nfs/dbraw/zinc/14/02/99/1265140299.db2.gz IMQXVLIGHOPSQC-HXUWFJFHSA-N 2 1 359.518 0.730 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699001670 1289542574 /nfs/dbraw/zinc/54/25/74/1289542574.db2.gz NOROARAQKRMOLB-RBSFLKMASA-N 2 1 367.494 0.117 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001699001670 1289542581 /nfs/dbraw/zinc/54/25/81/1289542581.db2.gz NOROARAQKRMOLB-RBSFLKMASA-N 2 1 367.494 0.117 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001699001670 1289542584 /nfs/dbraw/zinc/54/25/84/1289542584.db2.gz NOROARAQKRMOLB-RBSFLKMASA-N 2 1 367.494 0.117 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001699001670 1289542592 /nfs/dbraw/zinc/54/25/92/1289542592.db2.gz NOROARAQKRMOLB-RBSFLKMASA-N 2 1 367.494 0.117 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001691482533 1294895891 /nfs/dbraw/zinc/89/58/91/1294895891.db2.gz KZVULYURUUQIEP-DLBZAZTESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001691482533 1294895900 /nfs/dbraw/zinc/89/59/00/1294895900.db2.gz KZVULYURUUQIEP-DLBZAZTESA-N 2 1 360.502 0.581 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101958814 844347201 /nfs/dbraw/zinc/34/72/01/844347201.db2.gz UQOWTDYURVRQOM-ZACQAIPSSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101958814 844347212 /nfs/dbraw/zinc/34/72/12/844347212.db2.gz UQOWTDYURVRQOM-ZACQAIPSSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101958814 844347222 /nfs/dbraw/zinc/34/72/22/844347222.db2.gz UQOWTDYURVRQOM-ZACQAIPSSA-N 2 1 350.507 0.846 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273791 844456458 /nfs/dbraw/zinc/45/64/58/844456458.db2.gz QEZUADWOXVKMLZ-KURKYZTESA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273791 844456464 /nfs/dbraw/zinc/45/64/64/844456464.db2.gz QEZUADWOXVKMLZ-KURKYZTESA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273791 844456470 /nfs/dbraw/zinc/45/64/70/844456470.db2.gz QEZUADWOXVKMLZ-KURKYZTESA-N 2 1 351.491 0.430 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320628 844466346 /nfs/dbraw/zinc/46/63/46/844466346.db2.gz LZCRGUAVRFESSY-IAGOWNOFSA-N 2 1 350.507 0.823 20 30 FCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001083174660 840773098 /nfs/dbraw/zinc/77/30/98/840773098.db2.gz SDAFSOJEYVJHCF-RCCFBDPRSA-N 2 1 351.491 0.973 20 30 FCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001083174660 840773110 /nfs/dbraw/zinc/77/31/10/840773110.db2.gz SDAFSOJEYVJHCF-RCCFBDPRSA-N 2 1 351.491 0.973 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001083174660 840773118 /nfs/dbraw/zinc/77/31/18/840773118.db2.gz SDAFSOJEYVJHCF-RCCFBDPRSA-N 2 1 351.491 0.973 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001083174660 840773122 /nfs/dbraw/zinc/77/31/22/840773122.db2.gz SDAFSOJEYVJHCF-RCCFBDPRSA-N 2 1 351.491 0.973 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001083235321 840820047 /nfs/dbraw/zinc/82/00/47/840820047.db2.gz YDTQIHBLQHHRFM-ZWKOTPCHSA-N 2 1 351.491 0.975 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001093224434 843412819 /nfs/dbraw/zinc/41/28/19/843412819.db2.gz WDTSFLBRSJQYFE-NVXWUHKLSA-N 2 1 369.531 0.060 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001093224434 843412828 /nfs/dbraw/zinc/41/28/28/843412828.db2.gz WDTSFLBRSJQYFE-NVXWUHKLSA-N 2 1 369.531 0.060 20 30 FCEDMP COCC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371156 843911824 /nfs/dbraw/zinc/91/18/24/843911824.db2.gz IVWZDMWYVIWAHT-SJLPKXTDSA-N 2 1 351.491 0.262 20 30 FCEDMP COCC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001098371156 843911830 /nfs/dbraw/zinc/91/18/30/843911830.db2.gz IVWZDMWYVIWAHT-SJLPKXTDSA-N 2 1 351.491 0.262 20 30 FCEDMP COCC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371156 843911835 /nfs/dbraw/zinc/91/18/35/843911835.db2.gz IVWZDMWYVIWAHT-SJLPKXTDSA-N 2 1 351.491 0.262 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537016 844775501 /nfs/dbraw/zinc/77/55/01/844775501.db2.gz NQOZPJPAGDMKBB-QZTJIDSGSA-N 2 1 351.491 0.433 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103537016 844775508 /nfs/dbraw/zinc/77/55/08/844775508.db2.gz NQOZPJPAGDMKBB-QZTJIDSGSA-N 2 1 351.491 0.433 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001103755417 844816846 /nfs/dbraw/zinc/81/68/46/844816846.db2.gz GJYXGWWMGKBPPO-IXDOHACOSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755417 844816850 /nfs/dbraw/zinc/81/68/50/844816850.db2.gz GJYXGWWMGKBPPO-IXDOHACOSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001103755417 844816854 /nfs/dbraw/zinc/81/68/54/844816854.db2.gz GJYXGWWMGKBPPO-IXDOHACOSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001105066901 844976531 /nfs/dbraw/zinc/97/65/31/844976531.db2.gz FXOMUPNIKTTYDQ-IXDOHACOSA-N 2 1 350.507 0.539 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)C1=O ZINC001106839444 845265203 /nfs/dbraw/zinc/26/52/03/845265203.db2.gz IQUWVSMGYYFICQ-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112004437 846289698 /nfs/dbraw/zinc/28/96/98/846289698.db2.gz BTZQLCSAKZXDFM-GJYPPUQNSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112004437 846289710 /nfs/dbraw/zinc/28/97/10/846289710.db2.gz BTZQLCSAKZXDFM-GJYPPUQNSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112004437 846289715 /nfs/dbraw/zinc/28/97/15/846289715.db2.gz BTZQLCSAKZXDFM-GJYPPUQNSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112167760 846430556 /nfs/dbraw/zinc/43/05/56/846430556.db2.gz DCCOWSMSFKNODA-UPJWGTAASA-N 2 1 364.412 0.608 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030195 848798053 /nfs/dbraw/zinc/79/80/53/848798053.db2.gz UJTTUKLDFVJWHT-XHSDSOJGSA-N 2 1 352.458 0.876 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107140 848945844 /nfs/dbraw/zinc/94/58/44/848945844.db2.gz FUHOGZBAEPYYEC-CVEARBPZSA-N 2 1 350.467 0.164 20 30 FCEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001178527009 850906138 /nfs/dbraw/zinc/90/61/38/850906138.db2.gz HLUONSFTTZQXTA-DLBZAZTESA-N 2 1 350.507 0.732 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149844 854001844 /nfs/dbraw/zinc/00/18/44/854001844.db2.gz HEAPSSXHIKKHNE-BFYDXBDKSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149844 854001854 /nfs/dbraw/zinc/00/18/54/854001854.db2.gz HEAPSSXHIKKHNE-BFYDXBDKSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210529080 854117198 /nfs/dbraw/zinc/11/71/98/854117198.db2.gz PEJMXZFKCMUNRA-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210529080 854117204 /nfs/dbraw/zinc/11/72/04/854117204.db2.gz PEJMXZFKCMUNRA-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210529080 854117210 /nfs/dbraw/zinc/11/72/10/854117210.db2.gz PEJMXZFKCMUNRA-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210529080 854117211 /nfs/dbraw/zinc/11/72/11/854117211.db2.gz PEJMXZFKCMUNRA-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001215568076 855129080 /nfs/dbraw/zinc/12/90/80/855129080.db2.gz KXRQCGHCVXDOQB-OWCLPIDISA-N 2 1 350.507 0.539 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C)C1=O ZINC001216506395 855209625 /nfs/dbraw/zinc/20/96/25/855209625.db2.gz IIXAKHCWADFDNI-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216854261 855260827 /nfs/dbraw/zinc/26/08/27/855260827.db2.gz WDBMCCQBXZONQT-IAGOWNOFSA-N 2 1 350.507 0.964 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOC(C)C)C[C@@H]2O)CC1 ZINC001221066255 856445352 /nfs/dbraw/zinc/44/53/52/856445352.db2.gz NHXJFSJGDRAUJH-MSOLQXFVSA-N 2 1 351.491 0.308 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763957 856675285 /nfs/dbraw/zinc/67/52/85/856675285.db2.gz MROSYPZGULWTDV-KURKYZTESA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763957 856675289 /nfs/dbraw/zinc/67/52/89/856675289.db2.gz MROSYPZGULWTDV-KURKYZTESA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763957 856675300 /nfs/dbraw/zinc/67/53/00/856675300.db2.gz MROSYPZGULWTDV-KURKYZTESA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763957 856675305 /nfs/dbraw/zinc/67/53/05/856675305.db2.gz MROSYPZGULWTDV-KURKYZTESA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001224199186 856969104 /nfs/dbraw/zinc/96/91/04/856969104.db2.gz UTGHABGNAPSKOR-FGTMMUONSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001224199186 856969114 /nfs/dbraw/zinc/96/91/14/856969114.db2.gz UTGHABGNAPSKOR-FGTMMUONSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224199186 856969121 /nfs/dbraw/zinc/96/91/21/856969121.db2.gz UTGHABGNAPSKOR-FGTMMUONSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224199186 856969127 /nfs/dbraw/zinc/96/91/27/856969127.db2.gz UTGHABGNAPSKOR-FGTMMUONSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246303467 857572576 /nfs/dbraw/zinc/57/25/76/857572576.db2.gz HUCGXFZWIONHIZ-KKUMJFAQSA-N 2 1 370.519 0.066 20 30 FCEDMP COc1ccc(OC)c(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264113875 532951588 /nfs/dbraw/zinc/95/15/88/532951588.db2.gz PJKJTDXMUSMOLW-UHFFFAOYSA-N 2 1 350.463 0.873 20 30 FCEDMP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CCCOCC2)cc1OC ZINC000187857009 533477748 /nfs/dbraw/zinc/47/77/48/533477748.db2.gz FDAXUSTXHXJNBQ-UHFFFAOYSA-N 2 1 350.463 0.873 20 30 FCEDMP COc1ccc(CCNC(=[NH2+])NCC[N@H+]2CCCOCC2)cc1OC ZINC000187857009 533477752 /nfs/dbraw/zinc/47/77/52/533477752.db2.gz FDAXUSTXHXJNBQ-UHFFFAOYSA-N 2 1 350.463 0.873 20 30 FCEDMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000328739806 488934587 /nfs/dbraw/zinc/93/45/87/488934587.db2.gz MUTHZCGIPKLELC-IAGOWNOFSA-N 2 1 354.495 0.665 20 30 FCEDMP O=C(NC[C@@H]1CCc2[nH+]ccn2C1)Nc1ccn(CCN2CCOCC2)n1 ZINC000329815440 489038742 /nfs/dbraw/zinc/03/87/42/489038742.db2.gz DLTLTPMSBTWXLJ-HNNXBMFYSA-N 2 1 373.461 1.000 20 30 FCEDMP C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329896529 489046452 /nfs/dbraw/zinc/04/64/52/489046452.db2.gz COGRPOKTMIMMLH-MRXNPFEDSA-N 2 1 352.479 0.750 20 30 FCEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330177707 489076610 /nfs/dbraw/zinc/07/66/10/489076610.db2.gz KYCIAWCMBBXFME-NXHRZFHOSA-N 2 1 367.538 0.504 20 30 FCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000369752929 489270548 /nfs/dbraw/zinc/27/05/48/489270548.db2.gz LTMABUIMJFLLKH-MJGOQNOKSA-N 2 1 374.529 0.923 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000363392874 489461381 /nfs/dbraw/zinc/46/13/81/489461381.db2.gz KQBYQBHKVOMHTR-ZWKOTPCHSA-N 2 1 360.502 0.487 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000363392874 489461382 /nfs/dbraw/zinc/46/13/82/489461382.db2.gz KQBYQBHKVOMHTR-ZWKOTPCHSA-N 2 1 360.502 0.487 20 30 FCEDMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)Nc1ccccc1C#N ZINC000512247996 490667881 /nfs/dbraw/zinc/66/78/81/490667881.db2.gz COVRDJRUQCDIDO-KRWDZBQOSA-N 2 1 373.501 0.865 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000572364151 491365137 /nfs/dbraw/zinc/36/51/37/491365137.db2.gz VSMDZYUIVZPZBF-VAMGGRTRSA-N 2 1 360.502 0.665 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000572364151 491365138 /nfs/dbraw/zinc/36/51/38/491365138.db2.gz VSMDZYUIVZPZBF-VAMGGRTRSA-N 2 1 360.502 0.665 20 30 FCEDMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000567880091 491537261 /nfs/dbraw/zinc/53/72/61/491537261.db2.gz BQPQQRKRJNRVSC-HOTGVXAUSA-N 2 1 371.485 0.835 20 30 FCEDMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000567880091 491537263 /nfs/dbraw/zinc/53/72/63/491537263.db2.gz BQPQQRKRJNRVSC-HOTGVXAUSA-N 2 1 371.485 0.835 20 30 FCEDMP N#Cc1ccc(S(=O)(=O)CC[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)nc1 ZINC000575312271 491548320 /nfs/dbraw/zinc/54/83/20/491548320.db2.gz JUNVDGRXFDSLDS-INIZCTEOSA-N 2 1 366.487 0.553 20 30 FCEDMP N#CCCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264793067 534623893 /nfs/dbraw/zinc/62/38/93/534623893.db2.gz XWLAYCRIQLSIRR-UHFFFAOYSA-N 2 1 351.476 0.817 20 30 FCEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261641760 526349807 /nfs/dbraw/zinc/34/98/07/526349807.db2.gz DJCAEGSJUGTPIZ-KRWDZBQOSA-N 3 1 367.538 0.327 20 30 FCEDMP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261688073 526352529 /nfs/dbraw/zinc/35/25/29/526352529.db2.gz RINQGWHPVWRYKY-AWEZNQCLSA-N 2 1 357.524 0.060 20 30 FCEDMP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261688073 526352535 /nfs/dbraw/zinc/35/25/35/526352535.db2.gz RINQGWHPVWRYKY-AWEZNQCLSA-N 2 1 357.524 0.060 20 30 FCEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261868582 526355207 /nfs/dbraw/zinc/35/52/07/526355207.db2.gz ZJPQMSRYARHSMP-UHFFFAOYSA-N 2 1 361.494 0.519 20 30 FCEDMP C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261764852 526378693 /nfs/dbraw/zinc/37/86/93/526378693.db2.gz ORCQOZBYRALBQA-YJBOKZPZSA-N 2 1 350.463 0.717 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)=[NH+]C)CC1 ZINC000261701621 526396016 /nfs/dbraw/zinc/39/60/16/526396016.db2.gz UAYITDOJCRGBQW-USXIJHARSA-N 2 1 363.506 0.319 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000069442648 526589360 /nfs/dbraw/zinc/58/93/60/526589360.db2.gz VZXOCVDOPLAXRE-UHFFFAOYSA-N 2 1 365.522 0.879 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261671453 528809745 /nfs/dbraw/zinc/80/97/45/528809745.db2.gz CCUBZBGZFSWDDM-UGSOOPFHSA-N 2 1 364.494 0.214 20 30 FCEDMP CC[N@H+]1CCCC[C@H]1CNC(=[NH+]C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261623015 529007483 /nfs/dbraw/zinc/00/74/83/529007483.db2.gz BPRLLBBUIYYZFW-HNNXBMFYSA-N 2 1 361.494 0.519 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000264134209 529075179 /nfs/dbraw/zinc/07/51/79/529075179.db2.gz ZCORDPHFMWRVLR-RTBURBONSA-N 3 1 359.518 0.794 20 30 FCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000264134209 529075183 /nfs/dbraw/zinc/07/51/83/529075183.db2.gz ZCORDPHFMWRVLR-RTBURBONSA-N 3 1 359.518 0.794 20 30 FCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000264134209 529075190 /nfs/dbraw/zinc/07/51/90/529075190.db2.gz ZCORDPHFMWRVLR-RTBURBONSA-N 3 1 359.518 0.794 20 30 FCEDMP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[NH+](CC(C)C)CC1 ZINC000073942828 667709046 /nfs/dbraw/zinc/70/90/46/667709046.db2.gz AVZGPIJKHSGMGG-UHFFFAOYSA-N 2 1 373.567 0.507 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000104158591 673675647 /nfs/dbraw/zinc/67/56/47/673675647.db2.gz PAZRBXFLLCYRPQ-INIZCTEOSA-N 2 1 367.519 0.624 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001021710581 1169910663 /nfs/dbraw/zinc/91/06/63/1169910663.db2.gz OQTHUQAAMQMEKG-OKZBNKHCSA-N 2 1 358.486 0.239 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001021710581 1169910677 /nfs/dbraw/zinc/91/06/77/1169910677.db2.gz OQTHUQAAMQMEKG-OKZBNKHCSA-N 2 1 358.486 0.239 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217683 1170766030 /nfs/dbraw/zinc/76/60/30/1170766030.db2.gz VNDVQROGWAQHAZ-OKZBNKHCSA-N 2 1 370.497 0.239 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001022217683 1170766041 /nfs/dbraw/zinc/76/60/41/1170766041.db2.gz VNDVQROGWAQHAZ-OKZBNKHCSA-N 2 1 370.497 0.239 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001691116864 1170828152 /nfs/dbraw/zinc/82/81/52/1170828152.db2.gz ZSPDVRGGCBPIHH-IXDOHACOSA-N 2 1 350.507 0.847 20 30 FCEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000329636074 1179833347 /nfs/dbraw/zinc/83/33/47/1179833347.db2.gz YBDVJKXVMKCVBJ-SJORKVTESA-N 2 1 367.538 0.627 20 30 FCEDMP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083274418 1181750585 /nfs/dbraw/zinc/75/05/85/1181750585.db2.gz KSRHKOFRODCKFR-GBESFXJTSA-N 2 1 354.454 0.922 20 30 FCEDMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083274418 1181750593 /nfs/dbraw/zinc/75/05/93/1181750593.db2.gz KSRHKOFRODCKFR-GBESFXJTSA-N 2 1 354.454 0.922 20 30 FCEDMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083274418 1181750600 /nfs/dbraw/zinc/75/06/00/1181750600.db2.gz KSRHKOFRODCKFR-GBESFXJTSA-N 2 1 354.454 0.922 20 30 FCEDMP C[NH+]1CC[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083274418 1181750608 /nfs/dbraw/zinc/75/06/08/1181750608.db2.gz KSRHKOFRODCKFR-GBESFXJTSA-N 2 1 354.454 0.922 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067427 1183099690 /nfs/dbraw/zinc/09/96/90/1183099690.db2.gz ZZZPGKASWCGDQP-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000978953713 1186032925 /nfs/dbraw/zinc/03/29/25/1186032925.db2.gz PTYLSPBNWZTCRQ-SFFUCWETSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000978953713 1186032930 /nfs/dbraw/zinc/03/29/30/1186032930.db2.gz PTYLSPBNWZTCRQ-SFFUCWETSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000978953713 1186032936 /nfs/dbraw/zinc/03/29/36/1186032936.db2.gz PTYLSPBNWZTCRQ-SFFUCWETSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000978953713 1186032941 /nfs/dbraw/zinc/03/29/41/1186032941.db2.gz PTYLSPBNWZTCRQ-SFFUCWETSA-N 2 1 360.502 0.435 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@@H]2C1 ZINC001691582001 1193735513 /nfs/dbraw/zinc/73/55/13/1193735513.db2.gz LISQAKYBWSYQQO-SJORKVTESA-N 2 1 350.507 0.801 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001691582001 1193735515 /nfs/dbraw/zinc/73/55/15/1193735515.db2.gz LISQAKYBWSYQQO-SJORKVTESA-N 2 1 350.507 0.801 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@@H]2C1 ZINC001691582001 1193735518 /nfs/dbraw/zinc/73/55/18/1193735518.db2.gz LISQAKYBWSYQQO-SJORKVTESA-N 2 1 350.507 0.801 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001076605846 1194593387 /nfs/dbraw/zinc/59/33/87/1194593387.db2.gz WDXODUHDLWMHEK-OKZBNKHCSA-N 2 1 358.486 0.095 20 30 FCEDMP C=CCNC(=O)[C@@H](C)N1C[C@H]2OCCN(C(=O)CC[N@H+](C)CCC)[C@H]2C1 ZINC001219004496 1224284406 /nfs/dbraw/zinc/28/44/06/1224284406.db2.gz LWCKDRSUZJRKHT-IXDOHACOSA-N 2 1 366.506 0.321 20 30 FCEDMP N#CC[C@H](N)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727266 1224579822 /nfs/dbraw/zinc/57/98/22/1224579822.db2.gz ZWELTANEWOZLIT-ROUUACIJSA-N 2 1 355.486 0.845 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735289 1200494598 /nfs/dbraw/zinc/49/45/98/1200494598.db2.gz AFMOIYBFEXFINL-RDGPPVDQSA-N 2 1 363.502 0.859 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109735289 1200494601 /nfs/dbraw/zinc/49/46/01/1200494601.db2.gz AFMOIYBFEXFINL-RDGPPVDQSA-N 2 1 363.502 0.859 20 30 FCEDMP N#Cc1ccc([C@H]([NH3+])CC(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)cc1 ZINC001219805878 1224625518 /nfs/dbraw/zinc/62/55/18/1224625518.db2.gz FUTQUPSMBUJORD-MRXNPFEDSA-N 2 1 366.425 0.315 20 30 FCEDMP C#CCN1CCN(C(=O)C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@H]2C)CC1 ZINC000787301770 1200878076 /nfs/dbraw/zinc/87/80/76/1200878076.db2.gz DPEXBRWZBDSELW-MOPGFXCFSA-N 2 1 364.534 0.490 20 30 FCEDMP C#CCN1CCN(C(=O)C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1 ZINC000787301770 1200878079 /nfs/dbraw/zinc/87/80/79/1200878079.db2.gz DPEXBRWZBDSELW-MOPGFXCFSA-N 2 1 364.534 0.490 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153577 1201518030 /nfs/dbraw/zinc/51/80/30/1201518030.db2.gz ZRKJTCYFNMCVSR-MOPGFXCFSA-N 2 1 366.469 0.775 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153577 1201518036 /nfs/dbraw/zinc/51/80/36/1201518036.db2.gz ZRKJTCYFNMCVSR-MOPGFXCFSA-N 2 1 366.469 0.775 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cn(C)cn1 ZINC001130531878 1202710489 /nfs/dbraw/zinc/71/04/89/1202710489.db2.gz JWEJLPXUBBRKFQ-CGTJXYLNSA-N 2 1 359.474 0.048 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130593086 1202726409 /nfs/dbraw/zinc/72/64/09/1202726409.db2.gz OSONGZKUVIHENF-VXIBKDFQSA-N 2 1 373.501 0.294 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1cn(C)cn1 ZINC001130706579 1202757042 /nfs/dbraw/zinc/75/70/42/1202757042.db2.gz NBZBIXWQGGJPHF-FUHWJXTLSA-N 2 1 363.506 0.849 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3CC[NH+](C)CC3)n[nH]2)O1 ZINC001130802170 1202803516 /nfs/dbraw/zinc/80/35/16/1202803516.db2.gz GAWAJDBENHMHLZ-LSDHHAIUSA-N 2 1 362.478 0.758 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@H+](C)CCC)n2)O1 ZINC001130817554 1202808526 /nfs/dbraw/zinc/80/85/26/1202808526.db2.gz SHEXIIQTXYVEKO-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@@H+](C)CCC)n[nH]2)O1 ZINC001130817554 1202808527 /nfs/dbraw/zinc/80/85/27/1202808527.db2.gz SHEXIIQTXYVEKO-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@H+](C)CCC)n[nH]2)O1 ZINC001130817554 1202808529 /nfs/dbraw/zinc/80/85/29/1202808529.db2.gz SHEXIIQTXYVEKO-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@@H+](C)C(C)C)n2)O1 ZINC001130819877 1202809020 /nfs/dbraw/zinc/80/90/20/1202809020.db2.gz IUDPHFDQFRALMK-LSDHHAIUSA-N 2 1 362.478 0.594 20 30 FCEDMP C[NH+](C)CCN1c2ccccc2C(=NNCCC[NH+]2CCOCC2)C1=O ZINC000807986498 1202865507 /nfs/dbraw/zinc/86/55/07/1202865507.db2.gz KRBCTMLDOLELIC-UHFFFAOYSA-N 2 1 359.474 0.611 20 30 FCEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001131607097 1202920508 /nfs/dbraw/zinc/92/05/08/1202920508.db2.gz WYLJIKIBKOFDKB-QYZOEREBSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001131607097 1202920515 /nfs/dbraw/zinc/92/05/15/1202920515.db2.gz WYLJIKIBKOFDKB-QYZOEREBSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000815861408 1203055729 /nfs/dbraw/zinc/05/57/29/1203055729.db2.gz HFMKNHRNHSJCDR-UHFFFAOYSA-N 2 1 360.462 0.160 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cnn(C)c1 ZINC001086981879 1204886437 /nfs/dbraw/zinc/88/64/37/1204886437.db2.gz HWXJWLAQDSCDTB-YTQUADARSA-N 2 1 357.502 0.915 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]2C)CC1 ZINC001093224363 1206063012 /nfs/dbraw/zinc/06/30/12/1206063012.db2.gz SOEUZIFJRWZYQO-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCc3cnn(C)c3)C[C@H]2C)CC1 ZINC001093224349 1206063576 /nfs/dbraw/zinc/06/35/76/1206063576.db2.gz RXHXGVMBLVPKFT-YLJYHZDGSA-N 2 1 371.529 0.992 20 30 FCEDMP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093470608 1206086135 /nfs/dbraw/zinc/08/61/35/1206086135.db2.gz XILANEKYHVVVBM-JYBIWHBTSA-N 2 1 365.518 0.861 20 30 FCEDMP C=CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093470609 1206086309 /nfs/dbraw/zinc/08/63/09/1206086309.db2.gz XILANEKYHVVVBM-LFGUQSLTSA-N 2 1 365.518 0.861 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)no2)[C@H](C)C1 ZINC001093832976 1206126761 /nfs/dbraw/zinc/12/67/61/1206126761.db2.gz LNEPERPNPPCCLP-INMHGKMJSA-N 2 1 360.458 0.965 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2cc(OC)no2)[C@H](C)C1 ZINC001093832976 1206126762 /nfs/dbraw/zinc/12/67/62/1206126762.db2.gz LNEPERPNPPCCLP-INMHGKMJSA-N 2 1 360.458 0.965 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)C1=O ZINC001094221307 1206203831 /nfs/dbraw/zinc/20/38/31/1206203831.db2.gz GCLAXDGDHUTEKK-OIISXLGYSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178810248 1206365566 /nfs/dbraw/zinc/36/55/66/1206365566.db2.gz AELGQFYYKQJULF-IXDOHACOSA-N 2 1 368.522 0.662 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178810248 1206365568 /nfs/dbraw/zinc/36/55/68/1206365568.db2.gz AELGQFYYKQJULF-IXDOHACOSA-N 2 1 368.522 0.662 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188188846 1207430971 /nfs/dbraw/zinc/43/09/71/1207430971.db2.gz HDQBYRLDORHVGI-RCCFBDPRSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188188846 1207430972 /nfs/dbraw/zinc/43/09/72/1207430972.db2.gz HDQBYRLDORHVGI-RCCFBDPRSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188188846 1207430975 /nfs/dbraw/zinc/43/09/75/1207430975.db2.gz HDQBYRLDORHVGI-RCCFBDPRSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188188846 1207430977 /nfs/dbraw/zinc/43/09/77/1207430977.db2.gz HDQBYRLDORHVGI-RCCFBDPRSA-N 2 1 360.502 0.246 20 30 FCEDMP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]21)[NH+](C)C ZINC001188314564 1207443210 /nfs/dbraw/zinc/44/32/10/1207443210.db2.gz LQXQYTZUZKTTRK-GVDBMIGSSA-N 2 1 363.506 0.621 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405418 1207454852 /nfs/dbraw/zinc/45/48/52/1207454852.db2.gz GMIJRKDBYFHWRJ-FUHWJXTLSA-N 2 1 371.485 0.743 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@@H]2C1 ZINC001188405418 1207454855 /nfs/dbraw/zinc/45/48/55/1207454855.db2.gz GMIJRKDBYFHWRJ-FUHWJXTLSA-N 2 1 371.485 0.743 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317365 1207532150 /nfs/dbraw/zinc/53/21/50/1207532150.db2.gz MFWRMCHDBALKED-BPQIPLTHSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317365 1207532156 /nfs/dbraw/zinc/53/21/56/1207532156.db2.gz MFWRMCHDBALKED-BPQIPLTHSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)C[N@H+](C)CCCCCC)[C@@H]2C1 ZINC001189453408 1207558051 /nfs/dbraw/zinc/55/80/51/1207558051.db2.gz JVOOZDNEJBACRX-ZWKOTPCHSA-N 2 1 362.518 0.781 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189530683 1207568637 /nfs/dbraw/zinc/56/86/37/1207568637.db2.gz OYCGXMRWXXGCKV-FGTMMUONSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189530683 1207568639 /nfs/dbraw/zinc/56/86/39/1207568639.db2.gz OYCGXMRWXXGCKV-FGTMMUONSA-N 2 1 360.502 0.389 20 30 FCEDMP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O)[NH+](C)C ZINC001194087092 1207917871 /nfs/dbraw/zinc/91/78/71/1207917871.db2.gz XVOZIZYUZVLYIY-KZNAEPCWSA-N 2 1 360.458 0.590 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@H]2O)CC1 ZINC001199030714 1208312812 /nfs/dbraw/zinc/31/28/12/1208312812.db2.gz YCPKSMSGILZQLF-RTBURBONSA-N 2 1 363.502 0.310 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@H]2O)CC1 ZINC001199030714 1208312816 /nfs/dbraw/zinc/31/28/16/1208312816.db2.gz YCPKSMSGILZQLF-RTBURBONSA-N 2 1 363.502 0.310 20 30 FCEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852919614 1209576965 /nfs/dbraw/zinc/57/69/65/1209576965.db2.gz WQAVWCMGYBRSIE-HXUWFJFHSA-N 2 1 354.498 0.922 20 30 FCEDMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852919614 1209576969 /nfs/dbraw/zinc/57/69/69/1209576969.db2.gz WQAVWCMGYBRSIE-HXUWFJFHSA-N 2 1 354.498 0.922 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C2CCC2)C3)C1=O ZINC001110673670 1209607818 /nfs/dbraw/zinc/60/78/18/1209607818.db2.gz LZATXXWOIXZJHE-BDXSIMOUSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C2CCC2)C3)C1=O ZINC001110673670 1209607825 /nfs/dbraw/zinc/60/78/25/1209607825.db2.gz LZATXXWOIXZJHE-BDXSIMOUSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C2CCC2)C3)C1=O ZINC001110673670 1209607831 /nfs/dbraw/zinc/60/78/31/1209607831.db2.gz LZATXXWOIXZJHE-BDXSIMOUSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C2CCC2)C3)C1=O ZINC001110673670 1209607839 /nfs/dbraw/zinc/60/78/39/1209607839.db2.gz LZATXXWOIXZJHE-BDXSIMOUSA-N 2 1 360.502 0.979 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000884205354 1210722810 /nfs/dbraw/zinc/72/28/10/1210722810.db2.gz UCKXTPRAQAGHGO-DLBZAZTESA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000884205354 1210722812 /nfs/dbraw/zinc/72/28/12/1210722812.db2.gz UCKXTPRAQAGHGO-DLBZAZTESA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000884205354 1210722814 /nfs/dbraw/zinc/72/28/14/1210722814.db2.gz UCKXTPRAQAGHGO-DLBZAZTESA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000884205354 1210722815 /nfs/dbraw/zinc/72/28/15/1210722815.db2.gz UCKXTPRAQAGHGO-DLBZAZTESA-N 2 1 363.506 0.326 20 30 FCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412288 1210733565 /nfs/dbraw/zinc/73/35/65/1210733565.db2.gz MZWWNDFKELMIKY-OUBFZGACSA-N 2 1 359.518 0.753 20 30 FCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412288 1210733570 /nfs/dbraw/zinc/73/35/70/1210733570.db2.gz MZWWNDFKELMIKY-OUBFZGACSA-N 2 1 359.518 0.753 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691712792 1210840694 /nfs/dbraw/zinc/84/06/94/1210840694.db2.gz RELZKGTVUCODHE-KSZLIROESA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691712792 1210840695 /nfs/dbraw/zinc/84/06/95/1210840695.db2.gz RELZKGTVUCODHE-KSZLIROESA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCCC1=O ZINC001095556303 1211410992 /nfs/dbraw/zinc/41/09/92/1211410992.db2.gz KMYQJAQEPWSARS-OWSLCNJRSA-N 2 1 358.486 0.428 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2CCN1CCCC1=O ZINC001095556303 1211410993 /nfs/dbraw/zinc/41/09/93/1211410993.db2.gz KMYQJAQEPWSARS-OWSLCNJRSA-N 2 1 358.486 0.428 20 30 FCEDMP C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031304 1211809209 /nfs/dbraw/zinc/80/92/09/1211809209.db2.gz RXEJIDYQDDNFCX-HZMVEIRTSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001111031304 1211809212 /nfs/dbraw/zinc/80/92/12/1211809212.db2.gz RXEJIDYQDDNFCX-HZMVEIRTSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001111031304 1211809213 /nfs/dbraw/zinc/80/92/13/1211809213.db2.gz RXEJIDYQDDNFCX-HZMVEIRTSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001111031304 1211809214 /nfs/dbraw/zinc/80/92/14/1211809214.db2.gz RXEJIDYQDDNFCX-HZMVEIRTSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111218063 1211931907 /nfs/dbraw/zinc/93/19/07/1211931907.db2.gz GEUJRISCSOEPBM-OWYHZJEWSA-N 2 1 374.529 0.966 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111218063 1211931909 /nfs/dbraw/zinc/93/19/09/1211931909.db2.gz GEUJRISCSOEPBM-OWYHZJEWSA-N 2 1 374.529 0.966 20 30 FCEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000088253143 1213026020 /nfs/dbraw/zinc/02/60/20/1213026020.db2.gz XEUWOTHNZKOREF-HNNXBMFYSA-N 2 1 363.510 0.216 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818267 1225491944 /nfs/dbraw/zinc/49/19/44/1225491944.db2.gz NUNQELDXGNKJCS-GVDBMIGSSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818267 1225491948 /nfs/dbraw/zinc/49/19/48/1225491948.db2.gz NUNQELDXGNKJCS-GVDBMIGSSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818267 1225491951 /nfs/dbraw/zinc/49/19/51/1225491951.db2.gz NUNQELDXGNKJCS-GVDBMIGSSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818267 1225491954 /nfs/dbraw/zinc/49/19/54/1225491954.db2.gz NUNQELDXGNKJCS-GVDBMIGSSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N(C)CC)C[C@H]32)CC1 ZINC001222044041 1225587405 /nfs/dbraw/zinc/58/74/05/1225587405.db2.gz MNVAFFWFYDOCQI-QZTJIDSGSA-N 2 1 360.502 0.343 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)N(C)CC)C[C@H]32)CC1 ZINC001222044041 1225587408 /nfs/dbraw/zinc/58/74/08/1225587408.db2.gz MNVAFFWFYDOCQI-QZTJIDSGSA-N 2 1 360.502 0.343 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223058306 1225677385 /nfs/dbraw/zinc/67/73/85/1225677385.db2.gz NAFPATNTIAJIKT-SJORKVTESA-N 2 1 358.486 0.287 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223058306 1225677390 /nfs/dbraw/zinc/67/73/90/1225677390.db2.gz NAFPATNTIAJIKT-SJORKVTESA-N 2 1 358.486 0.287 20 30 FCEDMP C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223352708 1225700225 /nfs/dbraw/zinc/70/02/25/1225700225.db2.gz AIPFDTOJSDSBMP-MHORFTMASA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223352708 1225700231 /nfs/dbraw/zinc/70/02/31/1225700231.db2.gz AIPFDTOJSDSBMP-MHORFTMASA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223352708 1225700235 /nfs/dbraw/zinc/70/02/35/1225700235.db2.gz AIPFDTOJSDSBMP-MHORFTMASA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223352708 1225700242 /nfs/dbraw/zinc/70/02/42/1225700242.db2.gz AIPFDTOJSDSBMP-MHORFTMASA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@H]21 ZINC001223352708 1225700247 /nfs/dbraw/zinc/70/02/47/1225700247.db2.gz AIPFDTOJSDSBMP-MHORFTMASA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223488782 1225708909 /nfs/dbraw/zinc/70/89/09/1225708909.db2.gz BNUOSSYWJSTMNT-KURKYZTESA-N 2 1 362.518 0.779 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223488782 1225708913 /nfs/dbraw/zinc/70/89/13/1225708913.db2.gz BNUOSSYWJSTMNT-KURKYZTESA-N 2 1 362.518 0.779 20 30 FCEDMP CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045672513 1217946947 /nfs/dbraw/zinc/94/69/47/1217946947.db2.gz FEBFGPHTEGGENG-FGTMMUONSA-N 2 1 363.502 0.716 20 30 FCEDMP CC#CC[NH+]1CCC2(CO[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045672513 1217946951 /nfs/dbraw/zinc/94/69/51/1217946951.db2.gz FEBFGPHTEGGENG-FGTMMUONSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)CC1 ZINC001096605137 1218574976 /nfs/dbraw/zinc/57/49/76/1218574976.db2.gz CAXUCZMNNUQCNC-SQNIBIBYSA-N 2 1 356.474 0.345 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)N(C)C)CC1 ZINC001096605386 1218575489 /nfs/dbraw/zinc/57/54/89/1218575489.db2.gz MOFOOMUDLYAZIF-BGTYHANMSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)N(C)C)CC1 ZINC001096605386 1218575496 /nfs/dbraw/zinc/57/54/96/1218575496.db2.gz MOFOOMUDLYAZIF-BGTYHANMSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457856 1218898245 /nfs/dbraw/zinc/89/82/45/1218898245.db2.gz RJPKWVSYSHCRAT-TVFCKZIOSA-N 2 1 360.502 0.722 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001111457856 1218898246 /nfs/dbraw/zinc/89/82/46/1218898246.db2.gz RJPKWVSYSHCRAT-TVFCKZIOSA-N 2 1 360.502 0.722 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001227614264 1225880203 /nfs/dbraw/zinc/88/02/03/1225880203.db2.gz WEAKEZJJMFZQRE-SYJBPTKTSA-N 2 1 361.486 0.516 20 30 FCEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070446121 1219412725 /nfs/dbraw/zinc/41/27/25/1219412725.db2.gz SROSSMZSPQZFBB-BMFZPTHFSA-N 2 1 358.490 0.867 20 30 FCEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@H]2c1nnc(C)[nH]1 ZINC001070446121 1219412728 /nfs/dbraw/zinc/41/27/28/1219412728.db2.gz SROSSMZSPQZFBB-BMFZPTHFSA-N 2 1 358.490 0.867 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228168377 1225897997 /nfs/dbraw/zinc/89/79/97/1225897997.db2.gz ZWMCPZQQNIXQHJ-ZACQAIPSSA-N 2 1 366.506 0.415 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228168377 1225898000 /nfs/dbraw/zinc/89/80/00/1225898000.db2.gz ZWMCPZQQNIXQHJ-ZACQAIPSSA-N 2 1 366.506 0.415 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070720179 1219542005 /nfs/dbraw/zinc/54/20/05/1219542005.db2.gz JWXGUKNAQPAPQQ-JFIYKMOQSA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070720179 1219542008 /nfs/dbraw/zinc/54/20/08/1219542008.db2.gz JWXGUKNAQPAPQQ-JFIYKMOQSA-N 2 1 361.490 0.601 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cccn2)CC1 ZINC001098460736 1219786939 /nfs/dbraw/zinc/78/69/39/1219786939.db2.gz IRQAAYQVPXODBR-QRVBRYPASA-N 2 1 355.486 0.950 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)CC1 ZINC001098460963 1219787266 /nfs/dbraw/zinc/78/72/66/1219787266.db2.gz NHFHOCARVOYQCP-QRVBRYPASA-N 2 1 372.513 0.676 20 30 FCEDMP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101271055 1220258264 /nfs/dbraw/zinc/25/82/64/1220258264.db2.gz BTCZVCHXRCJELO-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101271055 1220258267 /nfs/dbraw/zinc/25/82/67/1220258267.db2.gz BTCZVCHXRCJELO-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101271055 1220258271 /nfs/dbraw/zinc/25/82/71/1220258271.db2.gz BTCZVCHXRCJELO-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP C[NH+]1CCC[C@H]1CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101271055 1220258277 /nfs/dbraw/zinc/25/82/77/1220258277.db2.gz BTCZVCHXRCJELO-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101290587 1220270765 /nfs/dbraw/zinc/27/07/65/1220270765.db2.gz ZVDZRHCDSCBLAH-QAPCUYQASA-N 2 1 359.474 0.035 20 30 FCEDMP C[C@]12CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101290587 1220270769 /nfs/dbraw/zinc/27/07/69/1220270769.db2.gz ZVDZRHCDSCBLAH-QAPCUYQASA-N 2 1 359.474 0.035 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@]2(C)C1 ZINC001101291448 1220271987 /nfs/dbraw/zinc/27/19/87/1220271987.db2.gz KZYMICUYCLCFPY-UZLBHIALSA-N 2 1 365.437 0.478 20 30 FCEDMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001228853903 1225958421 /nfs/dbraw/zinc/95/84/21/1225958421.db2.gz SVCDEAZYOMMINS-HUUCEWRRSA-N 2 1 360.462 0.663 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348824 1220296445 /nfs/dbraw/zinc/29/64/45/1220296445.db2.gz JWZBKNAFEMMENZ-VPWXQRGCSA-N 2 1 362.518 0.799 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102583076 1220705776 /nfs/dbraw/zinc/70/57/76/1220705776.db2.gz PJUQJHWLMIVLKE-QZTJIDSGSA-N 2 1 362.518 0.686 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC=C)C[C@H]2C)CC1 ZINC001102597960 1220719731 /nfs/dbraw/zinc/71/97/31/1220719731.db2.gz HORWRIWOFVJWAQ-SJLPKXTDSA-N 2 1 360.502 0.318 20 30 FCEDMP CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+]1CCCC1 ZINC001102601450 1220723833 /nfs/dbraw/zinc/72/38/33/1220723833.db2.gz DHXGSSGKDSSXQG-JFIYKMOQSA-N 2 1 363.506 0.431 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103090578 1220831040 /nfs/dbraw/zinc/83/10/40/1220831040.db2.gz ZUGCVZSBAVOQCQ-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103090578 1220831041 /nfs/dbraw/zinc/83/10/41/1220831041.db2.gz ZUGCVZSBAVOQCQ-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103090578 1220831043 /nfs/dbraw/zinc/83/10/43/1220831043.db2.gz ZUGCVZSBAVOQCQ-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001103364369 1220871473 /nfs/dbraw/zinc/87/14/73/1220871473.db2.gz HOKLHGDXZDBLST-GUDVDZBRSA-N 2 1 365.518 0.820 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001103364369 1220871475 /nfs/dbraw/zinc/87/14/75/1220871475.db2.gz HOKLHGDXZDBLST-GUDVDZBRSA-N 2 1 365.518 0.820 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001103364369 1220871478 /nfs/dbraw/zinc/87/14/78/1220871478.db2.gz HOKLHGDXZDBLST-GUDVDZBRSA-N 2 1 365.518 0.820 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001103367698 1220872214 /nfs/dbraw/zinc/87/22/14/1220872214.db2.gz FDUSYFWAKHILRK-VSZNYVQBSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001103367698 1220872215 /nfs/dbraw/zinc/87/22/15/1220872215.db2.gz FDUSYFWAKHILRK-VSZNYVQBSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001103367698 1220872216 /nfs/dbraw/zinc/87/22/16/1220872216.db2.gz FDUSYFWAKHILRK-VSZNYVQBSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646609 1220926992 /nfs/dbraw/zinc/92/69/92/1220926992.db2.gz BLPVDYJFDWECGG-BRWVUGGUSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2C)CC1 ZINC001103751683 1220964221 /nfs/dbraw/zinc/96/42/21/1220964221.db2.gz MDUDSYTXSBKECU-BHIYHBOVSA-N 2 1 365.518 0.413 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359697 1221245520 /nfs/dbraw/zinc/24/55/20/1221245520.db2.gz FRCZTAKQNQNSHH-YZLZLFLDSA-N 2 1 362.518 0.847 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001230138540 1226056506 /nfs/dbraw/zinc/05/65/06/1226056506.db2.gz PBVIXHKFBAIXBY-BRWVUGGUSA-N 2 1 363.506 0.717 20 30 FCEDMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001118045007 1221697119 /nfs/dbraw/zinc/69/71/19/1221697119.db2.gz OMTXNAGOUHUXJV-INIZCTEOSA-N 2 1 371.485 0.707 20 30 FCEDMP C[NH2+][C@@H](C)CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001118045007 1221697124 /nfs/dbraw/zinc/69/71/24/1221697124.db2.gz OMTXNAGOUHUXJV-INIZCTEOSA-N 2 1 371.485 0.707 20 30 FCEDMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC001120604838 1222108026 /nfs/dbraw/zinc/10/80/26/1222108026.db2.gz XFHXJKOBBWYMLB-QZTJIDSGSA-N 2 1 360.458 0.360 20 30 FCEDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3cc(C#N)ccn3)CC[C@@H]2C1 ZINC001232475891 1226153217 /nfs/dbraw/zinc/15/32/17/1226153217.db2.gz OAZGILCEFLGTRG-SJLPKXTDSA-N 2 1 357.458 0.564 20 30 FCEDMP N#Cc1nccnc1N1CCN(C(=O)c2ccc([C@@H]([NH3+])CN)cc2)CC1 ZINC001160635865 1223167121 /nfs/dbraw/zinc/16/71/21/1223167121.db2.gz FASAMISLTBPOEZ-HNNXBMFYSA-N 2 1 351.414 0.269 20 30 FCEDMP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCN(c2[nH+]cccc2N)CC1 ZINC001160826027 1223177085 /nfs/dbraw/zinc/17/70/85/1223177085.db2.gz PTBMQXHDXKCXEY-KRWDZBQOSA-N 2 1 350.426 0.754 20 30 FCEDMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3cncc(C#N)c3)C2)C1=O ZINC001276486792 1223346394 /nfs/dbraw/zinc/34/63/94/1223346394.db2.gz DORXZPOZLZDRTH-IBGZPJMESA-N 2 1 355.442 0.856 20 30 FCEDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC001276504068 1223407732 /nfs/dbraw/zinc/40/77/32/1223407732.db2.gz XOVSHYAQMVZVTR-LJQANCHMSA-N 2 1 357.458 0.566 20 30 FCEDMP C[NH+](C)CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC001276504068 1223407734 /nfs/dbraw/zinc/40/77/34/1223407734.db2.gz XOVSHYAQMVZVTR-LJQANCHMSA-N 2 1 357.458 0.566 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784612 1223478786 /nfs/dbraw/zinc/47/87/86/1223478786.db2.gz PNHSFEVRNORZBW-JFIYKMOQSA-N 2 1 371.485 0.482 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207784612 1223478788 /nfs/dbraw/zinc/47/87/88/1223478788.db2.gz PNHSFEVRNORZBW-JFIYKMOQSA-N 2 1 371.485 0.482 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790397 1223480180 /nfs/dbraw/zinc/48/01/80/1223480180.db2.gz SGEAHVLCBLOQDV-DDUZABMNSA-N 2 1 367.453 0.831 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001207790397 1223480185 /nfs/dbraw/zinc/48/01/85/1223480185.db2.gz SGEAHVLCBLOQDV-DDUZABMNSA-N 2 1 367.453 0.831 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441630 1223546261 /nfs/dbraw/zinc/54/62/61/1223546261.db2.gz JYGPDIKVZMRDNF-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441630 1223546262 /nfs/dbraw/zinc/54/62/62/1223546262.db2.gz JYGPDIKVZMRDNF-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478568 1223623690 /nfs/dbraw/zinc/62/36/90/1223623690.db2.gz WHWBQYXISGODCT-JTDSTZFVSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209478568 1223623694 /nfs/dbraw/zinc/62/36/94/1223623694.db2.gz WHWBQYXISGODCT-JTDSTZFVSA-N 2 1 370.497 0.936 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC3CC3)C[C@H]2C)CC1 ZINC001211307773 1223733454 /nfs/dbraw/zinc/73/34/54/1223733454.db2.gz ZLYXIUHFJPTCIH-CRAIPNDOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NCC3CC3)C[C@H]2C)CC1 ZINC001211307773 1223733457 /nfs/dbraw/zinc/73/34/57/1223733457.db2.gz ZLYXIUHFJPTCIH-CRAIPNDOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](CCCC)C(N)=O)C[C@H]2C)CC1 ZINC001211307284 1223734038 /nfs/dbraw/zinc/73/40/38/1223734038.db2.gz RHOLTZYIHAVEHM-KBAYOESNSA-N 2 1 362.518 0.812 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NCCC)C[C@H]2C)CC1 ZINC001211343977 1223736513 /nfs/dbraw/zinc/73/65/13/1223736513.db2.gz VZCWQJUPGFYFOP-JFIYKMOQSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001214878949 1223951103 /nfs/dbraw/zinc/95/11/03/1223951103.db2.gz KIPPUIUTZBQRNA-ZACQAIPSSA-N 2 1 363.506 0.228 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCNC(=O)NC(C)C)C1 ZINC001214878949 1223951107 /nfs/dbraw/zinc/95/11/07/1223951107.db2.gz KIPPUIUTZBQRNA-ZACQAIPSSA-N 2 1 363.506 0.228 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216980307 1224083327 /nfs/dbraw/zinc/08/33/27/1224083327.db2.gz GCMVDWBHYRMOTB-SJLPKXTDSA-N 2 1 358.486 0.857 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216980307 1224083330 /nfs/dbraw/zinc/08/33/30/1224083330.db2.gz GCMVDWBHYRMOTB-SJLPKXTDSA-N 2 1 358.486 0.857 20 30 FCEDMP N#Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923280468 1245703578 /nfs/dbraw/zinc/70/35/78/1245703578.db2.gz AWJNOMGHAHISRL-QZTJIDSGSA-N 2 1 372.469 0.442 20 30 FCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413480 1245717032 /nfs/dbraw/zinc/71/70/32/1245717032.db2.gz DZEXTEZGARZVRQ-HPFXQQBRSA-N 2 1 372.425 0.165 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000938041001 1245814842 /nfs/dbraw/zinc/81/48/42/1245814842.db2.gz ZOVLDOOGEPTDHW-BPQIPLTHSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997357966 1251558389 /nfs/dbraw/zinc/55/83/89/1251558389.db2.gz SDKXMVJVMFLLLT-XWSJACJDSA-N 2 1 372.513 0.674 20 30 FCEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993747 1252265313 /nfs/dbraw/zinc/26/53/13/1252265313.db2.gz VATINUDVVBEOAR-HYVNUMGLSA-N 2 1 362.478 0.436 20 30 FCEDMP C=C(C)C[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993747 1252265323 /nfs/dbraw/zinc/26/53/23/1252265323.db2.gz VATINUDVVBEOAR-HYVNUMGLSA-N 2 1 362.478 0.436 20 30 FCEDMP C=C(C)C[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993747 1252265335 /nfs/dbraw/zinc/26/53/35/1252265335.db2.gz VATINUDVVBEOAR-HYVNUMGLSA-N 2 1 362.478 0.436 20 30 FCEDMP C=C(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999993747 1252265346 /nfs/dbraw/zinc/26/53/46/1252265346.db2.gz VATINUDVVBEOAR-HYVNUMGLSA-N 2 1 362.478 0.436 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001003675729 1253053765 /nfs/dbraw/zinc/05/37/65/1253053765.db2.gz ZHJRZODDPVWDDY-BDXSIMOUSA-N 2 1 370.497 0.428 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC001003675729 1253053785 /nfs/dbraw/zinc/05/37/85/1253053785.db2.gz ZHJRZODDPVWDDY-BDXSIMOUSA-N 2 1 370.497 0.428 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081127080 1256189424 /nfs/dbraw/zinc/18/94/24/1256189424.db2.gz UNTKYAOKJRXQIO-KSZLIROESA-N 2 1 354.454 0.154 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(N)=O)C1 ZINC001081127080 1256189433 /nfs/dbraw/zinc/18/94/33/1256189433.db2.gz UNTKYAOKJRXQIO-KSZLIROESA-N 2 1 354.454 0.154 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001084090000 1257913355 /nfs/dbraw/zinc/91/33/55/1257913355.db2.gz FVIAADZSMSQEKE-QRQLOZEOSA-N 2 1 363.502 0.310 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC001084850899 1258400474 /nfs/dbraw/zinc/40/04/74/1258400474.db2.gz BSLUROQGKSJGMP-KBAYOESNSA-N 2 1 360.502 0.341 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC001084850899 1258400476 /nfs/dbraw/zinc/40/04/76/1258400476.db2.gz BSLUROQGKSJGMP-KBAYOESNSA-N 2 1 360.502 0.341 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945492 1258767986 /nfs/dbraw/zinc/76/79/86/1258767986.db2.gz RBAKCUMUCWMBMH-FGTMMUONSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945492 1258767995 /nfs/dbraw/zinc/76/79/95/1258767995.db2.gz RBAKCUMUCWMBMH-FGTMMUONSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945492 1258767997 /nfs/dbraw/zinc/76/79/97/1258767997.db2.gz RBAKCUMUCWMBMH-FGTMMUONSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945492 1258768001 /nfs/dbraw/zinc/76/80/01/1258768001.db2.gz RBAKCUMUCWMBMH-FGTMMUONSA-N 2 1 363.502 0.716 20 30 FCEDMP C[C@H]1CCC[N@H+]1CC(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107547052 1259113159 /nfs/dbraw/zinc/11/31/59/1259113159.db2.gz YYHNDMYWTPCFFL-FRQCXROJSA-N 2 1 361.490 0.471 20 30 FCEDMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107547052 1259113163 /nfs/dbraw/zinc/11/31/63/1259113163.db2.gz YYHNDMYWTPCFFL-FRQCXROJSA-N 2 1 361.490 0.471 20 30 FCEDMP C[C@H]1CCC[NH+]1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107547052 1259113165 /nfs/dbraw/zinc/11/31/65/1259113165.db2.gz YYHNDMYWTPCFFL-FRQCXROJSA-N 2 1 361.490 0.471 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187304706 1259400496 /nfs/dbraw/zinc/40/04/96/1259400496.db2.gz MADRHCALVAHEHE-RCCFBDPRSA-N 2 1 360.502 0.814 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001187304706 1259400500 /nfs/dbraw/zinc/40/05/00/1259400500.db2.gz MADRHCALVAHEHE-RCCFBDPRSA-N 2 1 360.502 0.814 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187304706 1259400508 /nfs/dbraw/zinc/40/05/08/1259400508.db2.gz MADRHCALVAHEHE-RCCFBDPRSA-N 2 1 360.502 0.814 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001187304706 1259400513 /nfs/dbraw/zinc/40/05/13/1259400513.db2.gz MADRHCALVAHEHE-RCCFBDPRSA-N 2 1 360.502 0.814 20 30 FCEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252463136 1259790324 /nfs/dbraw/zinc/79/03/24/1259790324.db2.gz MKJFNIGCMMLFGG-QGZVFWFLSA-N 2 1 369.506 0.053 20 30 FCEDMP C=CCOC[C@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252463136 1259790327 /nfs/dbraw/zinc/79/03/27/1259790327.db2.gz MKJFNIGCMMLFGG-QGZVFWFLSA-N 2 1 369.506 0.053 20 30 FCEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001336795651 1260223913 /nfs/dbraw/zinc/22/39/13/1260223913.db2.gz XHOURWZPPKIBKG-LPHOPBHVSA-N 2 1 350.459 0.820 20 30 FCEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001336795651 1260223916 /nfs/dbraw/zinc/22/39/16/1260223916.db2.gz XHOURWZPPKIBKG-LPHOPBHVSA-N 2 1 350.459 0.820 20 30 FCEDMP COc1ccc(C#N)cc1C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496978366 1263907019 /nfs/dbraw/zinc/90/70/19/1263907019.db2.gz BGUKIPYJIPMUGI-KBRIMQKVSA-N 2 1 360.458 0.474 20 30 FCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccc(C[NH+]2CCN(C)CC2)c1 ZINC001326598696 1265140346 /nfs/dbraw/zinc/14/03/46/1265140346.db2.gz IMQXVLIGHOPSQC-FQEVSTJZSA-N 2 1 359.518 0.730 20 30 FCEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC001343473183 1269918516 /nfs/dbraw/zinc/91/85/16/1269918516.db2.gz LNRCLNWCPMIFGF-QYZOEREBSA-N 2 1 354.454 0.803 20 30 FCEDMP N#Cc1ccc2c(c1)CC[NH2+][C@@H]2C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC001343473183 1269918522 /nfs/dbraw/zinc/91/85/22/1269918522.db2.gz LNRCLNWCPMIFGF-QYZOEREBSA-N 2 1 354.454 0.803 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC001574604257 1271409571 /nfs/dbraw/zinc/40/95/71/1271409571.db2.gz KAMSWMGYVZFAMI-UHFFFAOYSA-N 2 1 355.446 0.480 20 30 FCEDMP COCC#CC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001576952599 1273973411 /nfs/dbraw/zinc/97/34/11/1273973411.db2.gz IIODHJLTDAHIHZ-MRXNPFEDSA-N 2 1 374.489 0.199 20 30 FCEDMP C[NH+](C)CCCN(CCC[NH+](C)C)c1cnc(C#N)c(-c2nn[nH]n2)n1 ZINC001578991250 1276566170 /nfs/dbraw/zinc/56/61/70/1276566170.db2.gz RZILDIXLJBIXCS-UHFFFAOYSA-N 2 1 358.454 0.238 20 30 FCEDMP N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)o2)cc1 ZINC001580062788 1278001625 /nfs/dbraw/zinc/00/16/25/1278001625.db2.gz PQJLAQLSLHNMHN-OAHLLOKOSA-N 2 1 354.414 0.895 20 30 FCEDMP N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)o2)cc1 ZINC001580062788 1278001632 /nfs/dbraw/zinc/00/16/32/1278001632.db2.gz PQJLAQLSLHNMHN-OAHLLOKOSA-N 2 1 354.414 0.895 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@]2(C)C1 ZINC001101476544 844202352 /nfs/dbraw/zinc/20/23/52/844202352.db2.gz YGBOEGQQGBMWNN-FCEWJHQRSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101476544 844202368 /nfs/dbraw/zinc/20/23/68/844202368.db2.gz YGBOEGQQGBMWNN-FCEWJHQRSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@]2(C)C1 ZINC001101476544 844202371 /nfs/dbraw/zinc/20/23/71/844202371.db2.gz YGBOEGQQGBMWNN-FCEWJHQRSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102044981 844394745 /nfs/dbraw/zinc/39/47/45/844394745.db2.gz MNSSRHRCCMKFHS-OWCLPIDISA-N 2 1 350.507 0.846 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375418 844478959 /nfs/dbraw/zinc/47/89/59/844478959.db2.gz IGLRKMPNMRNDPJ-HZPDHXFCSA-N 2 1 350.507 0.398 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375418 844478963 /nfs/dbraw/zinc/47/89/63/844478963.db2.gz IGLRKMPNMRNDPJ-HZPDHXFCSA-N 2 1 350.507 0.398 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102375418 844478967 /nfs/dbraw/zinc/47/89/67/844478967.db2.gz IGLRKMPNMRNDPJ-HZPDHXFCSA-N 2 1 350.507 0.398 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136549 844705694 /nfs/dbraw/zinc/70/56/94/844705694.db2.gz IDWKGQZXJGMSGN-BRSBDYLESA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103136549 844705698 /nfs/dbraw/zinc/70/56/98/844705698.db2.gz IDWKGQZXJGMSGN-BRSBDYLESA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103136549 844705703 /nfs/dbraw/zinc/70/57/03/844705703.db2.gz IDWKGQZXJGMSGN-BRSBDYLESA-N 2 1 351.491 0.430 20 30 FCEDMP COCC#CC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103136549 844705709 /nfs/dbraw/zinc/70/57/09/844705709.db2.gz IDWKGQZXJGMSGN-BRSBDYLESA-N 2 1 351.491 0.430 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536974 844776130 /nfs/dbraw/zinc/77/61/30/844776130.db2.gz LLWIZCJLNXHQDA-QZTJIDSGSA-N 2 1 353.507 0.986 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+]2CCOCC2)C1 ZINC001103536974 844776135 /nfs/dbraw/zinc/77/61/35/844776135.db2.gz LLWIZCJLNXHQDA-QZTJIDSGSA-N 2 1 353.507 0.986 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001103662598 844796330 /nfs/dbraw/zinc/79/63/30/844796330.db2.gz FGJRLGGKFNRUTQ-IAGOWNOFSA-N 2 1 350.507 0.542 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662598 844796335 /nfs/dbraw/zinc/79/63/35/844796335.db2.gz FGJRLGGKFNRUTQ-IAGOWNOFSA-N 2 1 350.507 0.542 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001103662598 844796342 /nfs/dbraw/zinc/79/63/42/844796342.db2.gz FGJRLGGKFNRUTQ-IAGOWNOFSA-N 2 1 350.507 0.542 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001106255689 845144586 /nfs/dbraw/zinc/14/45/86/845144586.db2.gz FBGWDIQDEXUDET-OWCLPIDISA-N 2 1 350.507 0.846 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029862 848796559 /nfs/dbraw/zinc/79/65/59/848796559.db2.gz NENLVFTZGNPVPP-XHSDSOJGSA-N 2 1 350.442 0.323 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029862 848796564 /nfs/dbraw/zinc/79/65/64/848796564.db2.gz NENLVFTZGNPVPP-XHSDSOJGSA-N 2 1 350.442 0.323 20 30 FCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029687 848797289 /nfs/dbraw/zinc/79/72/89/848797289.db2.gz JJUJGARPBDMEMF-XHSDSOJGSA-N 2 1 352.458 0.876 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029687 848797296 /nfs/dbraw/zinc/79/72/96/848797296.db2.gz JJUJGARPBDMEMF-XHSDSOJGSA-N 2 1 352.458 0.876 20 30 FCEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001131461631 849108031 /nfs/dbraw/zinc/10/80/31/849108031.db2.gz RUTXHJKQMJVGOD-KURKYZTESA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001131461631 849108040 /nfs/dbraw/zinc/10/80/40/849108040.db2.gz RUTXHJKQMJVGOD-KURKYZTESA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281470 853912920 /nfs/dbraw/zinc/91/29/20/853912920.db2.gz JOCNHYKRTACXHL-OWCLPIDISA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281470 853912925 /nfs/dbraw/zinc/91/29/25/853912925.db2.gz JOCNHYKRTACXHL-OWCLPIDISA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401211 854464012 /nfs/dbraw/zinc/46/40/12/854464012.db2.gz IMKYIFPXSPTOTK-KZNAEPCWSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401211 854464018 /nfs/dbraw/zinc/46/40/18/854464018.db2.gz IMKYIFPXSPTOTK-KZNAEPCWSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401211 854464024 /nfs/dbraw/zinc/46/40/24/854464024.db2.gz IMKYIFPXSPTOTK-KZNAEPCWSA-N 2 1 353.507 0.982 20 30 FCEDMP CCCCCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001215972910 855161858 /nfs/dbraw/zinc/16/18/58/855161858.db2.gz DBWRUGMTSYKKLF-HZPDHXFCSA-N 2 1 351.495 0.575 20 30 FCEDMP C=CCOCCN1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)[C@H]2C1 ZINC001217860679 855378345 /nfs/dbraw/zinc/37/83/45/855378345.db2.gz GYVBUCMGFMDDTO-OKZBNKHCSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)[C@H]2C1 ZINC001217860679 855378348 /nfs/dbraw/zinc/37/83/48/855378348.db2.gz GYVBUCMGFMDDTO-OKZBNKHCSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860679 855378354 /nfs/dbraw/zinc/37/83/54/855378354.db2.gz GYVBUCMGFMDDTO-OKZBNKHCSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@H]2C1 ZINC001217860679 855378358 /nfs/dbraw/zinc/37/83/58/855378358.db2.gz GYVBUCMGFMDDTO-OKZBNKHCSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789394 855479423 /nfs/dbraw/zinc/47/94/23/855479423.db2.gz JMURSBKMSFALEU-FGTMMUONSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCC[C@@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789394 855479429 /nfs/dbraw/zinc/47/94/29/855479429.db2.gz JMURSBKMSFALEU-FGTMMUONSA-N 2 1 351.491 0.975 20 30 FCEDMP C[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N)CC(C)(C)C ZINC001228623542 857219831 /nfs/dbraw/zinc/21/98/31/857219831.db2.gz CZWSTCHTNDXUEV-HUUCEWRRSA-N 2 1 351.495 0.621 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001229837763 857289652 /nfs/dbraw/zinc/28/96/52/857289652.db2.gz SGCGPIIRAPSLDH-BRWVUGGUSA-N 2 1 350.507 0.873 20 30 FCEDMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@H+]([C@@H]1CCN[C@H](C#N)C1)C2 ZINC001246671506 857589751 /nfs/dbraw/zinc/58/97/51/857589751.db2.gz SFZQSZGJQMARQF-CTHBEMJXSA-N 2 1 360.380 0.648 20 30 FCEDMP CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)C[N@@H+]([C@@H]1CCN[C@H](C#N)C1)C2 ZINC001246671506 857589743 /nfs/dbraw/zinc/58/97/43/857589743.db2.gz SFZQSZGJQMARQF-CTHBEMJXSA-N 2 1 360.380 0.648 20 30 FCEDMP C[C@](O)(CNC(=O)[C@@H]1COCCN1C1CCCC1)C[NH+]1CCOCC1 ZINC000329270338 488987589 /nfs/dbraw/zinc/98/75/89/488987589.db2.gz HJSUSCDNHAEJDW-WMZOPIPTSA-N 2 1 355.479 0.670 20 30 FCEDMP COCC[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200296 489079371 /nfs/dbraw/zinc/07/93/71/489079371.db2.gz ADVPRRMVAKQSIG-HOTGVXAUSA-N 2 1 354.495 0.806 20 30 FCEDMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200296 489079374 /nfs/dbraw/zinc/07/93/74/489079374.db2.gz ADVPRRMVAKQSIG-HOTGVXAUSA-N 2 1 354.495 0.806 20 30 FCEDMP COCC[NH+]1CC[C@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200296 489079377 /nfs/dbraw/zinc/07/93/77/489079377.db2.gz ADVPRRMVAKQSIG-HOTGVXAUSA-N 2 1 354.495 0.806 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373977196 489692621 /nfs/dbraw/zinc/69/26/21/489692621.db2.gz DQTBNNRFKKYDIJ-GASCZTMLSA-N 2 1 352.479 0.819 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373977196 489692627 /nfs/dbraw/zinc/69/26/27/489692627.db2.gz DQTBNNRFKKYDIJ-GASCZTMLSA-N 2 1 352.479 0.819 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000559441473 491473031 /nfs/dbraw/zinc/47/30/31/491473031.db2.gz MDVAXTHZLNDDTH-KRWDZBQOSA-N 2 1 366.506 0.226 20 30 FCEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N[C@H]1CCC(=O)N(C)C1 ZINC000262680566 526350764 /nfs/dbraw/zinc/35/07/64/526350764.db2.gz SLRQAWORXJUOPU-KRWDZBQOSA-N 2 1 357.502 0.871 20 30 FCEDMP C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179087721 526353541 /nfs/dbraw/zinc/35/35/41/526353541.db2.gz YRDBFBMLLMUNJO-GOSISDBHSA-N 2 1 365.522 0.474 20 30 FCEDMP C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262823140 526356948 /nfs/dbraw/zinc/35/69/48/526356948.db2.gz SXQXGSLJFHWOKE-ZDUSSCGKSA-N 2 1 355.442 0.684 20 30 FCEDMP C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262823140 526356953 /nfs/dbraw/zinc/35/69/53/526356953.db2.gz SXQXGSLJFHWOKE-ZDUSSCGKSA-N 2 1 355.442 0.684 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)=[NH+]C)CC1 ZINC000262468943 526395952 /nfs/dbraw/zinc/39/59/52/526395952.db2.gz YSKJOOFLKDERCR-IMJJTQAJSA-N 2 1 351.495 0.175 20 30 FCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000262356139 528013975 /nfs/dbraw/zinc/01/39/75/528013975.db2.gz UZPYGQMRDLJHKW-MRXNPFEDSA-N 2 1 361.494 0.270 20 30 FCEDMP CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264101557 528817801 /nfs/dbraw/zinc/81/78/01/528817801.db2.gz OFCSGTLRALHABM-UHFFFAOYSA-N 2 1 361.490 0.662 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000264069098 529073987 /nfs/dbraw/zinc/07/39/87/529073987.db2.gz CPLAKLWWGQDFEV-ZIAGYGMSSA-N 2 1 364.446 0.544 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000553670167 547299260 /nfs/dbraw/zinc/29/92/60/547299260.db2.gz ZDJNWETUXHVIQM-JKSUJKDBSA-N 2 1 350.507 0.990 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccccc1S(=O)(=O)N(C)C ZINC000303785707 674571366 /nfs/dbraw/zinc/57/13/66/674571366.db2.gz QPKBZJDLOKNWNI-HNNXBMFYSA-N 2 1 367.519 0.826 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073776981 667693075 /nfs/dbraw/zinc/69/30/75/667693075.db2.gz WIEABIONMZADNO-HOTGVXAUSA-N 2 1 351.495 0.227 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)C[C@H]1C ZINC001104265355 1168848003 /nfs/dbraw/zinc/84/80/03/1168848003.db2.gz ZLOXLWLJKNZCDF-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001691575859 1192890636 /nfs/dbraw/zinc/89/06/36/1192890636.db2.gz GWQJNSXAPRZMNU-MSOLQXFVSA-N 2 1 363.502 0.527 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1=O ZINC001025795057 1182846933 /nfs/dbraw/zinc/84/69/33/1182846933.db2.gz NJIQCZCKMDBYRO-PVWHLQNVSA-N 2 1 360.502 0.550 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001025795057 1182846937 /nfs/dbraw/zinc/84/69/37/1182846937.db2.gz NJIQCZCKMDBYRO-PVWHLQNVSA-N 2 1 360.502 0.550 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1=O ZINC001025795057 1182846943 /nfs/dbraw/zinc/84/69/43/1182846943.db2.gz NJIQCZCKMDBYRO-PVWHLQNVSA-N 2 1 360.502 0.550 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105040330 1183088671 /nfs/dbraw/zinc/08/86/71/1183088671.db2.gz HIFHFHHJLJIUSY-BRWVUGGUSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105040330 1183088676 /nfs/dbraw/zinc/08/86/76/1183088676.db2.gz HIFHFHHJLJIUSY-BRWVUGGUSA-N 2 1 366.506 0.084 20 30 FCEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112529860 1186092998 /nfs/dbraw/zinc/09/29/98/1186092998.db2.gz RXUMDHDVGYKAJL-GJYPPUQNSA-N 2 1 361.490 0.186 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cncc3C)[C@H]2CC)C1=O ZINC001087659525 1189710099 /nfs/dbraw/zinc/71/00/99/1189710099.db2.gz MJOPSJUNSFHITQ-BBWFWOEESA-N 2 1 359.474 0.948 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2CC)C1=O ZINC001087659525 1189710126 /nfs/dbraw/zinc/71/01/26/1189710126.db2.gz MJOPSJUNSFHITQ-BBWFWOEESA-N 2 1 359.474 0.948 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001083537290 1194228972 /nfs/dbraw/zinc/22/89/72/1194228972.db2.gz MUNMYIAOWFDYDK-AABGKKOBSA-N 2 1 371.481 0.633 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOc2cccc(C)c2)C[C@@H]1O ZINC001083537290 1194228975 /nfs/dbraw/zinc/22/89/75/1194228975.db2.gz MUNMYIAOWFDYDK-AABGKKOBSA-N 2 1 371.481 0.633 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844691 1224238791 /nfs/dbraw/zinc/23/87/91/1224238791.db2.gz JHXSORVJPJZGFA-ZWKOTPCHSA-N 2 1 367.490 0.211 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)COC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218844691 1224238794 /nfs/dbraw/zinc/23/87/94/1224238794.db2.gz JHXSORVJPJZGFA-ZWKOTPCHSA-N 2 1 367.490 0.211 20 30 FCEDMP N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001077131125 1195247049 /nfs/dbraw/zinc/24/70/49/1195247049.db2.gz NMEBUJQQUOFCAM-FGTMMUONSA-N 2 1 365.437 0.994 20 30 FCEDMP C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCN1CC(=O)NCC#N ZINC001691765063 1195922493 /nfs/dbraw/zinc/92/24/93/1195922493.db2.gz JMTYEHZSRVEKCN-UWWQBHOKSA-N 2 1 357.458 0.508 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2c2ccccc2)CC1 ZINC001086625204 1201392936 /nfs/dbraw/zinc/39/29/36/1201392936.db2.gz ORECZUAMWOSJRR-VQTJNVASSA-N 2 1 355.482 0.908 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130014191 1201471913 /nfs/dbraw/zinc/47/19/13/1201471913.db2.gz DTPYMKHMFWVAME-MOPGFXCFSA-N 2 1 366.469 0.427 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130014612 1201472095 /nfs/dbraw/zinc/47/20/95/1201472095.db2.gz VSMAGXXMYJWRPV-MOPGFXCFSA-N 2 1 368.485 0.980 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001130007642 1201476923 /nfs/dbraw/zinc/47/69/23/1201476923.db2.gz OPWCDXKYLGNENL-JQHSSLGASA-N 2 1 369.473 0.963 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC001130220483 1201543046 /nfs/dbraw/zinc/54/30/46/1201543046.db2.gz AFHNGNRJIKAKND-ZNMIVQPWSA-N 2 1 362.478 0.247 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C2CC2)[NH+](C)C)[nH]1 ZINC001130220674 1201549627 /nfs/dbraw/zinc/54/96/27/1201549627.db2.gz INMSADONLSDKLM-DZKIICNBSA-N 2 1 362.478 0.409 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)[N@H+](C)CC)n1 ZINC001130221196 1201551318 /nfs/dbraw/zinc/55/13/18/1201551318.db2.gz ZAZNYVMIYNYANC-KBPBESRZSA-N 2 1 364.494 0.799 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)[N@@H+](C)CC)[nH]1 ZINC001130221196 1201551321 /nfs/dbraw/zinc/55/13/21/1201551321.db2.gz ZAZNYVMIYNYANC-KBPBESRZSA-N 2 1 364.494 0.799 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)[N@H+](C)CC)[nH]1 ZINC001130221196 1201551322 /nfs/dbraw/zinc/55/13/22/1201551322.db2.gz ZAZNYVMIYNYANC-KBPBESRZSA-N 2 1 364.494 0.799 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130233103 1201558329 /nfs/dbraw/zinc/55/83/29/1201558329.db2.gz YBBMNYJULODITC-OFQRWUPVSA-N 2 1 362.478 0.102 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CC)[nH]1 ZINC001130246734 1201566754 /nfs/dbraw/zinc/56/67/54/1201566754.db2.gz OAYGCVFHOANPNR-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@@H+](C)CC)n1 ZINC001130246734 1201566761 /nfs/dbraw/zinc/56/67/61/1201566761.db2.gz OAYGCVFHOANPNR-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@H+](C)CC)n1 ZINC001130246734 1201566768 /nfs/dbraw/zinc/56/67/68/1201566768.db2.gz OAYGCVFHOANPNR-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@@H+](C)CC)n[nH]1 ZINC001130246734 1201566771 /nfs/dbraw/zinc/56/67/71/1201566771.db2.gz OAYGCVFHOANPNR-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@H+](C)CC)n[nH]1 ZINC001130246734 1201566775 /nfs/dbraw/zinc/56/67/75/1201566775.db2.gz OAYGCVFHOANPNR-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731798 1202772177 /nfs/dbraw/zinc/77/21/77/1202772177.db2.gz PPWQDVBHCBOBQS-JQHSSLGASA-N 2 1 359.474 0.048 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731798 1202772182 /nfs/dbraw/zinc/77/21/82/1202772182.db2.gz PPWQDVBHCBOBQS-JQHSSLGASA-N 2 1 359.474 0.048 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H](C3CC3)[NH+](C)C)n[nH]2)O1 ZINC001130790220 1202798701 /nfs/dbraw/zinc/79/87/01/1202798701.db2.gz NMJIMOKLGLBLNP-SQWLQELKSA-N 2 1 362.478 0.757 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134126146 1203015380 /nfs/dbraw/zinc/01/53/80/1203015380.db2.gz AZEGNEZUSVHFRI-JQHSSLGASA-N 2 1 356.470 0.176 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001086720588 1203019911 /nfs/dbraw/zinc/01/99/11/1203019911.db2.gz DLHNBADDBMJQMH-UHOSZYNNSA-N 2 1 357.502 0.935 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC001086720588 1203019914 /nfs/dbraw/zinc/01/99/14/1203019914.db2.gz DLHNBADDBMJQMH-UHOSZYNNSA-N 2 1 357.502 0.935 20 30 FCEDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cncc(C#N)c3)CC2)C1 ZINC001144080621 1204416961 /nfs/dbraw/zinc/41/69/61/1204416961.db2.gz SMZSLGQXGKUCAG-UHFFFAOYSA-N 2 1 371.485 0.956 20 30 FCEDMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC001144158496 1204428296 /nfs/dbraw/zinc/42/82/96/1204428296.db2.gz HZFGMAFWXLHOQK-UHFFFAOYSA-N 2 1 371.485 0.956 20 30 FCEDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3ccc(C#N)cn3)CC2)C1 ZINC001144158496 1204428301 /nfs/dbraw/zinc/42/83/01/1204428301.db2.gz HZFGMAFWXLHOQK-UHFFFAOYSA-N 2 1 371.485 0.956 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845360448 1204494158 /nfs/dbraw/zinc/49/41/58/1204494158.db2.gz DHLLLHYAQORCBC-MRXNPFEDSA-N 2 1 366.506 0.999 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091748436 1204841370 /nfs/dbraw/zinc/84/13/70/1204841370.db2.gz LCQVRQYDMAZGLB-UWVAXJGDSA-N 2 1 358.486 0.097 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091748436 1204841371 /nfs/dbraw/zinc/84/13/71/1204841371.db2.gz LCQVRQYDMAZGLB-UWVAXJGDSA-N 2 1 358.486 0.097 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091748436 1204841373 /nfs/dbraw/zinc/84/13/73/1204841373.db2.gz LCQVRQYDMAZGLB-UWVAXJGDSA-N 2 1 358.486 0.097 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)N3CCC3)C[C@@]2(C)C1 ZINC001091748436 1204841374 /nfs/dbraw/zinc/84/13/74/1204841374.db2.gz LCQVRQYDMAZGLB-UWVAXJGDSA-N 2 1 358.486 0.097 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCn4cncn4)C[C@@]3(C)C2)CC1 ZINC001092300344 1205233793 /nfs/dbraw/zinc/23/37/93/1205233793.db2.gz VSCLXSLTIWMOTP-QUCCMNQESA-N 2 1 370.501 0.404 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)C1=O ZINC001092936715 1205963038 /nfs/dbraw/zinc/96/30/38/1205963038.db2.gz HXDMNRGWFAIPDF-KBAYOESNSA-N 2 1 362.518 0.799 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001110151906 1206170394 /nfs/dbraw/zinc/17/03/94/1206170394.db2.gz DGGDIODBDFWYNO-YSHGAJCASA-N 2 1 370.497 0.191 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001110151906 1206170395 /nfs/dbraw/zinc/17/03/95/1206170395.db2.gz DGGDIODBDFWYNO-YSHGAJCASA-N 2 1 370.497 0.191 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576725 1206456518 /nfs/dbraw/zinc/45/65/18/1206456518.db2.gz QQZVHZNUWCKWID-BRWVUGGUSA-N 2 1 366.506 0.321 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576725 1206456520 /nfs/dbraw/zinc/45/65/20/1206456520.db2.gz QQZVHZNUWCKWID-BRWVUGGUSA-N 2 1 366.506 0.321 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001185784529 1206485843 /nfs/dbraw/zinc/48/58/43/1206485843.db2.gz XBBVAWYWTGAGAE-QRVBRYPASA-N 2 1 370.497 0.825 20 30 FCEDMP CN(CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)c1cc[nH+]cc1 ZINC001188405900 1207454914 /nfs/dbraw/zinc/45/49/14/1207454914.db2.gz TWKRJRFIGUBUJY-DOTOQJQBSA-N 2 1 370.457 0.080 20 30 FCEDMP CN(CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)c1cc[nH+]cc1 ZINC001188405900 1207454916 /nfs/dbraw/zinc/45/49/16/1207454916.db2.gz TWKRJRFIGUBUJY-DOTOQJQBSA-N 2 1 370.457 0.080 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190323668 1207676009 /nfs/dbraw/zinc/67/60/09/1207676009.db2.gz ANLFGSIINKNDNK-OKZBNKHCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190323668 1207676014 /nfs/dbraw/zinc/67/60/14/1207676014.db2.gz ANLFGSIINKNDNK-OKZBNKHCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N(C)CC)C[C@H]32)CC1 ZINC001190325564 1207676507 /nfs/dbraw/zinc/67/65/07/1207676507.db2.gz ZPHTZOAUCCJZTP-ZWKOTPCHSA-N 2 1 360.502 0.343 20 30 FCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cn2cccn2)N(C)C)C1 ZINC001193754816 1207889947 /nfs/dbraw/zinc/88/99/47/1207889947.db2.gz BTNBKNAVYXYKFG-FGTMMUONSA-N 2 1 363.506 0.721 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104477 1208318307 /nfs/dbraw/zinc/31/83/07/1208318307.db2.gz NGJFAAFZPNFXSD-GVDBMIGSSA-N 2 1 368.522 0.301 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000890368685 1210975535 /nfs/dbraw/zinc/97/55/35/1210975535.db2.gz LUXNKPQAWNODEK-CEXWTWQISA-N 2 1 361.534 0.751 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000890368685 1210975540 /nfs/dbraw/zinc/97/55/40/1210975540.db2.gz LUXNKPQAWNODEK-CEXWTWQISA-N 2 1 361.534 0.751 20 30 FCEDMP C[N@@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000930947204 1211730167 /nfs/dbraw/zinc/73/01/67/1211730167.db2.gz LPKBCVDMHNLRHE-SFHVURJKSA-N 2 1 369.469 0.459 20 30 FCEDMP C[N@H+]1CC[C@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000930947204 1211730171 /nfs/dbraw/zinc/73/01/71/1211730171.db2.gz LPKBCVDMHNLRHE-SFHVURJKSA-N 2 1 369.469 0.459 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000950648716 1212622225 /nfs/dbraw/zinc/62/22/25/1212622225.db2.gz ZQHYIPBVZYDLSO-ZACQAIPSSA-N 2 1 358.486 0.143 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000950648716 1212622228 /nfs/dbraw/zinc/62/22/28/1212622228.db2.gz ZQHYIPBVZYDLSO-ZACQAIPSSA-N 2 1 358.486 0.143 20 30 FCEDMP C[N@H+]1CCCN(CCNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000303874890 1213445185 /nfs/dbraw/zinc/44/51/85/1213445185.db2.gz HLMACCUOBUCFRA-UHFFFAOYSA-N 2 1 362.497 0.900 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001223247997 1225694451 /nfs/dbraw/zinc/69/44/51/1225694451.db2.gz AIZDDWKTKHLMBZ-RYQLBKOJSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966075 1216873083 /nfs/dbraw/zinc/87/30/83/1216873083.db2.gz VBWTZESDKQYHBI-KURKYZTESA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966075 1216873089 /nfs/dbraw/zinc/87/30/89/1216873089.db2.gz VBWTZESDKQYHBI-KURKYZTESA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966075 1216873090 /nfs/dbraw/zinc/87/30/90/1216873090.db2.gz VBWTZESDKQYHBI-KURKYZTESA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@@H](n2ccnn2)C1 ZINC001069966075 1216873091 /nfs/dbraw/zinc/87/30/91/1216873091.db2.gz VBWTZESDKQYHBI-KURKYZTESA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987937 1216884988 /nfs/dbraw/zinc/88/49/88/1216884988.db2.gz ATJKDSYRIMIRPL-SQNIBIBYSA-N 2 1 356.474 0.517 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987937 1216884990 /nfs/dbraw/zinc/88/49/90/1216884990.db2.gz ATJKDSYRIMIRPL-SQNIBIBYSA-N 2 1 356.474 0.517 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070026043 1216904331 /nfs/dbraw/zinc/90/43/31/1216904331.db2.gz YJNGTOKURNOWIX-JQHSSLGASA-N 2 1 369.473 0.963 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070026043 1216904334 /nfs/dbraw/zinc/90/43/34/1216904334.db2.gz YJNGTOKURNOWIX-JQHSSLGASA-N 2 1 369.473 0.963 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@@H]21 ZINC001224140232 1225759813 /nfs/dbraw/zinc/75/98/13/1225759813.db2.gz IDLBQSJZSRHKAE-QRVBRYPASA-N 2 1 363.502 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001691744694 1218622538 /nfs/dbraw/zinc/62/25/38/1218622538.db2.gz BKWBEMCRNKKIIV-ZACQAIPSSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001691744694 1218622541 /nfs/dbraw/zinc/62/25/41/1218622541.db2.gz BKWBEMCRNKKIIV-ZACQAIPSSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001691744694 1218622545 /nfs/dbraw/zinc/62/25/45/1218622545.db2.gz BKWBEMCRNKKIIV-ZACQAIPSSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001691744694 1218622550 /nfs/dbraw/zinc/62/25/50/1218622550.db2.gz BKWBEMCRNKKIIV-ZACQAIPSSA-N 2 1 363.506 0.669 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCOC)CC1 ZINC001111455247 1218847180 /nfs/dbraw/zinc/84/71/80/1218847180.db2.gz UORNFHGZUUUKFS-QRVBRYPASA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260440 1219330376 /nfs/dbraw/zinc/33/03/76/1219330376.db2.gz JPUUUQZEILUXNC-OIISXLGYSA-N 2 1 353.430 0.020 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260794 1219330897 /nfs/dbraw/zinc/33/08/97/1219330897.db2.gz RSPQKBYIFGBSQX-OIISXLGYSA-N 2 1 355.446 0.573 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001070381587 1219406366 /nfs/dbraw/zinc/40/63/66/1219406366.db2.gz JOZHPWMMZIJLGM-MDYRTPRTSA-N 2 1 362.518 0.990 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCn2cncn2)CC1 ZINC001098460446 1219786975 /nfs/dbraw/zinc/78/69/75/1219786975.db2.gz CAXUCZMNNUQCNC-KURKYZTESA-N 2 1 356.474 0.345 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCN(CC)C2=O)CC1 ZINC001098460046 1219787350 /nfs/dbraw/zinc/78/73/50/1219787350.db2.gz XTGSUSMZCGMGTF-AKHDSKFASA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCN(CC)C2=O)CC1 ZINC001098460046 1219787353 /nfs/dbraw/zinc/78/73/53/1219787353.db2.gz XTGSUSMZCGMGTF-AKHDSKFASA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCN(C)C2=O)CC1 ZINC001098462949 1219787864 /nfs/dbraw/zinc/78/78/64/1219787864.db2.gz WDDXQVNLMSQOLO-YRXWBPOGSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1 ZINC001099447677 1219999778 /nfs/dbraw/zinc/99/97/78/1219999778.db2.gz PDIUNHMOFNITJB-QRFRQXIXSA-N 2 1 370.501 0.631 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnnn2C)C1 ZINC001099447677 1219999786 /nfs/dbraw/zinc/99/97/86/1219999786.db2.gz PDIUNHMOFNITJB-QRFRQXIXSA-N 2 1 370.501 0.631 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300374 1220277133 /nfs/dbraw/zinc/27/71/33/1220277133.db2.gz WATVWRSWEKLSJB-MDZRGWNJSA-N 2 1 357.458 0.110 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300374 1220277140 /nfs/dbraw/zinc/27/71/40/1220277140.db2.gz WATVWRSWEKLSJB-MDZRGWNJSA-N 2 1 357.458 0.110 20 30 FCEDMP C[C@H](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)n1ccnc1 ZINC001101376587 1220309071 /nfs/dbraw/zinc/30/90/71/1220309071.db2.gz GVBOJKPXYVPEOG-RKVPGOIHSA-N 2 1 358.446 0.254 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382843 1220312562 /nfs/dbraw/zinc/31/25/62/1220312562.db2.gz YNXDYPSJDYMDFY-XLIONFOSSA-N 2 1 360.502 0.248 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001102185489 1220540924 /nfs/dbraw/zinc/54/09/24/1220540924.db2.gz FDGKQQNHAKZZSV-QGPMSJSTSA-N 2 1 361.490 0.185 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001102596765 1220718236 /nfs/dbraw/zinc/71/82/36/1220718236.db2.gz XBJMOZRWEMMBFA-CRAIPNDOSA-N 2 1 371.485 0.686 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103157998 1220841506 /nfs/dbraw/zinc/84/15/06/1220841506.db2.gz NHTLEKORAXBFKQ-BRWVUGGUSA-N 2 1 364.534 0.929 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157998 1220841507 /nfs/dbraw/zinc/84/15/07/1220841507.db2.gz NHTLEKORAXBFKQ-BRWVUGGUSA-N 2 1 364.534 0.929 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103157998 1220841508 /nfs/dbraw/zinc/84/15/08/1220841508.db2.gz NHTLEKORAXBFKQ-BRWVUGGUSA-N 2 1 364.534 0.929 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396625 1220877325 /nfs/dbraw/zinc/87/73/25/1220877325.db2.gz AXAUQGZBBHPCTF-SOLBZPMBSA-N 2 1 362.518 0.540 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001103722629 1220952403 /nfs/dbraw/zinc/95/24/03/1220952403.db2.gz XGUCAMKGZJWJMX-KURKYZTESA-N 2 1 362.518 0.943 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001103752527 1220964554 /nfs/dbraw/zinc/96/45/54/1220964554.db2.gz KGZMDXNTXDAHCH-JFIYKMOQSA-N 2 1 362.518 0.540 20 30 FCEDMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2)[NH+](CC)CC ZINC001111869130 1221143405 /nfs/dbraw/zinc/14/34/05/1221143405.db2.gz YSWCIGBMYVQGPC-FCEWJHQRSA-N 2 1 363.506 0.717 20 30 FCEDMP CC[C@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2)[NH+](CC)CC ZINC001111869130 1221143408 /nfs/dbraw/zinc/14/34/08/1221143408.db2.gz YSWCIGBMYVQGPC-FCEWJHQRSA-N 2 1 363.506 0.717 20 30 FCEDMP N#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004598 1221198892 /nfs/dbraw/zinc/19/88/92/1221198892.db2.gz KMRGFQWUEAPXEV-LPHOPBHVSA-N 2 1 361.490 0.473 20 30 FCEDMP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004598 1221198894 /nfs/dbraw/zinc/19/88/94/1221198894.db2.gz KMRGFQWUEAPXEV-LPHOPBHVSA-N 2 1 361.490 0.473 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112404217 1221253278 /nfs/dbraw/zinc/25/32/78/1221253278.db2.gz MTARXZKMHSVDEC-BJLQDIEVSA-N 2 1 363.502 0.311 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCOCCO)C1 ZINC001112404217 1221253282 /nfs/dbraw/zinc/25/32/82/1221253282.db2.gz MTARXZKMHSVDEC-BJLQDIEVSA-N 2 1 363.502 0.311 20 30 FCEDMP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001121134129 1222150516 /nfs/dbraw/zinc/15/05/16/1222150516.db2.gz UPXYPKYDANYXSQ-IHRTYXHKSA-N 2 1 360.502 0.483 20 30 FCEDMP N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C3)C2)c1 ZINC001160373201 1223156824 /nfs/dbraw/zinc/15/68/24/1223156824.db2.gz XFEAYMSCBLWYNN-ICSRJNTNSA-N 2 1 371.485 0.680 20 30 FCEDMP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1C#N ZINC001160861918 1223177870 /nfs/dbraw/zinc/17/78/70/1223177870.db2.gz ATLJQYOGYOTOOD-RDTXWAMCSA-N 2 1 360.458 0.882 20 30 FCEDMP COc1ccc(C[NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1C#N ZINC001160861918 1223177872 /nfs/dbraw/zinc/17/78/72/1223177872.db2.gz ATLJQYOGYOTOOD-RDTXWAMCSA-N 2 1 360.458 0.882 20 30 FCEDMP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378922 1223197163 /nfs/dbraw/zinc/19/71/63/1223197163.db2.gz OBPPWMKWEARGDR-SXLOBPIMSA-N 3 1 367.497 0.885 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315709 1223682137 /nfs/dbraw/zinc/68/21/37/1223682137.db2.gz VJPNFNMXDFKYFH-IAGOWNOFSA-N 2 1 368.522 0.426 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210315709 1223682139 /nfs/dbraw/zinc/68/21/39/1223682139.db2.gz VJPNFNMXDFKYFH-IAGOWNOFSA-N 2 1 368.522 0.426 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214663754 1223930327 /nfs/dbraw/zinc/93/03/27/1223930327.db2.gz AVDYVGVZTSZKLJ-BRSBDYLESA-N 2 1 362.518 0.964 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1C ZINC001215539958 1224005353 /nfs/dbraw/zinc/00/53/53/1224005353.db2.gz FICIRGBAMHCWEC-CLCXKQKWSA-N 2 1 368.497 0.938 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC001216849987 1224078520 /nfs/dbraw/zinc/07/85/20/1224078520.db2.gz CSTLKLOVSDAUKP-SUMDDJOVSA-N 2 1 356.470 0.475 20 30 FCEDMP CC(C)(C)OC(=O)N1CCN2C(NCC[NH+]3CCC(O)CC3)=[NH+]C[C@@H]2C1 ZINC000849117181 1245392916 /nfs/dbraw/zinc/39/29/16/1245392916.db2.gz VHGDNZFPWZCHIX-CQSZACIVSA-N 2 1 367.494 0.324 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC000996567399 1251388469 /nfs/dbraw/zinc/38/84/69/1251388469.db2.gz GXKQOSLRWNBQJM-OWSLCNJRSA-N 2 1 358.486 0.428 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC000996567399 1251388473 /nfs/dbraw/zinc/38/84/73/1251388473.db2.gz GXKQOSLRWNBQJM-OWSLCNJRSA-N 2 1 358.486 0.428 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC000997792459 1251710135 /nfs/dbraw/zinc/71/01/35/1251710135.db2.gz GWOXUDIGIBLAHK-KBAYOESNSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CC=C)CC1 ZINC001520492545 1265924043 /nfs/dbraw/zinc/92/40/43/1265924043.db2.gz ZDGUOXYSSPSURH-SFHVURJKSA-N 2 1 370.501 0.798 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CC=C)CC1 ZINC001520492545 1265924046 /nfs/dbraw/zinc/92/40/46/1265924046.db2.gz ZDGUOXYSSPSURH-SFHVURJKSA-N 2 1 370.501 0.798 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC1 ZINC001078228341 1255341230 /nfs/dbraw/zinc/34/12/30/1255341230.db2.gz MYROVJJZUUYLOH-WOJBJXKFSA-N 2 1 366.465 0.565 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]2O)CC1 ZINC001078228341 1255341238 /nfs/dbraw/zinc/34/12/38/1255341238.db2.gz MYROVJJZUUYLOH-WOJBJXKFSA-N 2 1 366.465 0.565 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@H]2O)CC1 ZINC001078227413 1255342965 /nfs/dbraw/zinc/34/29/65/1255342965.db2.gz YQNCDPXCILCZNF-IPMKNSEASA-N 2 1 363.502 0.452 20 30 FCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274287 1255498479 /nfs/dbraw/zinc/49/84/79/1255498479.db2.gz LNNYHIFAPKBYDG-RCCFBDPRSA-N 2 1 363.502 0.833 20 30 FCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274287 1255498482 /nfs/dbraw/zinc/49/84/82/1255498482.db2.gz LNNYHIFAPKBYDG-RCCFBDPRSA-N 2 1 363.502 0.833 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccnc(OC)n3)C[C@H]2C)CC1 ZINC001080997393 1256131483 /nfs/dbraw/zinc/13/14/83/1256131483.db2.gz BNFSEKGFJBLWMW-CRAIPNDOSA-N 2 1 371.485 0.767 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccnc(OC)n3)C[C@H]2C)CC1 ZINC001080997393 1256131486 /nfs/dbraw/zinc/13/14/86/1256131486.db2.gz BNFSEKGFJBLWMW-CRAIPNDOSA-N 2 1 371.485 0.767 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001082568094 1256872405 /nfs/dbraw/zinc/87/24/05/1256872405.db2.gz XCTSFKLUVHNVKW-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCCCC2)C1 ZINC001082568094 1256872418 /nfs/dbraw/zinc/87/24/18/1256872418.db2.gz XCTSFKLUVHNVKW-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nncn3C)C2)CC1 ZINC001082941583 1257159334 /nfs/dbraw/zinc/15/93/34/1257159334.db2.gz ZBSFOOOMLXNEES-HLLBOEOZSA-N 2 1 358.490 0.658 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3)C[C@@H]2O)CC1 ZINC001084090005 1257914122 /nfs/dbraw/zinc/91/41/22/1257914122.db2.gz FXAURXPOCRLTCM-AQNXPRMDSA-N 2 1 371.481 0.227 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672464 1258937897 /nfs/dbraw/zinc/93/78/97/1258937897.db2.gz XEBFYZFKIUMPFB-IXDOHACOSA-N 2 1 364.534 0.786 20 30 FCEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106729626 1258949470 /nfs/dbraw/zinc/94/94/70/1258949470.db2.gz VNLGQGQVGRGHKB-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106909790 1258995012 /nfs/dbraw/zinc/99/50/12/1258995012.db2.gz MWDSEBCPQYBNLV-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001107039811 1259022974 /nfs/dbraw/zinc/02/29/74/1259022974.db2.gz ZLWRRBLRJVLEFH-SUMDDJOVSA-N 2 1 371.485 0.613 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472778 1259098769 /nfs/dbraw/zinc/09/87/69/1259098769.db2.gz IRYNNHLBNLFWIY-VQIMIIECSA-N 2 1 357.458 0.302 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3c[nH+]cc3C)CCC[C@@H]12 ZINC001107472778 1259098771 /nfs/dbraw/zinc/09/87/71/1259098771.db2.gz IRYNNHLBNLFWIY-VQIMIIECSA-N 2 1 357.458 0.302 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001107530431 1259108579 /nfs/dbraw/zinc/10/85/79/1259108579.db2.gz RLNCSUAEGZZURM-YLJYHZDGSA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266990 1259358895 /nfs/dbraw/zinc/35/88/95/1259358895.db2.gz SINKBEDVGWSAJM-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266990 1259358899 /nfs/dbraw/zinc/35/88/99/1259358899.db2.gz SINKBEDVGWSAJM-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266990 1259358904 /nfs/dbraw/zinc/35/89/04/1259358904.db2.gz SINKBEDVGWSAJM-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266990 1259358910 /nfs/dbraw/zinc/35/89/10/1259358910.db2.gz SINKBEDVGWSAJM-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP C#CCOC[C@@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001251881390 1259769089 /nfs/dbraw/zinc/76/90/89/1259769089.db2.gz SXMRTMLRLSXLIP-IKGGRYGDSA-N 2 1 367.490 0.528 20 30 FCEDMP C#CCOC[C@@H](O)C[NH2+]C[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001251881390 1259769096 /nfs/dbraw/zinc/76/90/96/1259769096.db2.gz SXMRTMLRLSXLIP-IKGGRYGDSA-N 2 1 367.490 0.528 20 30 FCEDMP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCCC#N)CC3)[C@H]2C1 ZINC001280186844 1261024345 /nfs/dbraw/zinc/02/43/45/1261024345.db2.gz WLBPDIIGXPDECF-HOTGVXAUSA-N 2 1 361.490 0.281 20 30 FCEDMP COCC#CC[NH+]1CCC(N(Cc2cn[nH]n2)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001576952597 1273974145 /nfs/dbraw/zinc/97/41/45/1273974145.db2.gz IIODHJLTDAHIHZ-INIZCTEOSA-N 2 1 374.489 0.199 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001692182981 1289422117 /nfs/dbraw/zinc/42/21/17/1289422117.db2.gz XUDOCLRDUFIBKB-MWDXBVQZSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001692182981 1289422119 /nfs/dbraw/zinc/42/21/19/1289422119.db2.gz XUDOCLRDUFIBKB-MWDXBVQZSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@H]1CC ZINC001692182981 1289422125 /nfs/dbraw/zinc/42/21/25/1289422125.db2.gz XUDOCLRDUFIBKB-MWDXBVQZSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H]1CC ZINC001692182981 1289422128 /nfs/dbraw/zinc/42/21/28/1289422128.db2.gz XUDOCLRDUFIBKB-MWDXBVQZSA-N 2 1 350.507 0.988 20 30 FCEDMP CCO[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC#CCOC ZINC001689067241 1294590990 /nfs/dbraw/zinc/59/09/90/1294590990.db2.gz VOCJMBADDUWACX-CEXWTWQISA-N 2 1 365.518 0.964 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001689091709 1294609825 /nfs/dbraw/zinc/60/98/25/1294609825.db2.gz ODRGCJZJTZPYSH-SQNIBIBYSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001690896804 1294891331 /nfs/dbraw/zinc/89/13/31/1294891331.db2.gz IBUOTLBJGMNPRG-FGTMMUONSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001690896804 1294891343 /nfs/dbraw/zinc/89/13/43/1294891343.db2.gz IBUOTLBJGMNPRG-FGTMMUONSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001690896804 1294891354 /nfs/dbraw/zinc/89/13/54/1294891354.db2.gz IBUOTLBJGMNPRG-FGTMMUONSA-N 2 1 362.518 0.827 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070208910 837634197 /nfs/dbraw/zinc/63/41/97/837634197.db2.gz DNPGFMVWFZZENE-CABCVRRESA-N 2 1 352.870 0.856 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070208910 837634200 /nfs/dbraw/zinc/63/42/00/837634200.db2.gz DNPGFMVWFZZENE-CABCVRRESA-N 2 1 352.870 0.856 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@]2(C)C1 ZINC001101354034 844156738 /nfs/dbraw/zinc/15/67/38/844156738.db2.gz MFZIWHKVBZIIPY-SUMDDJOVSA-N 2 1 350.507 0.655 20 30 FCEDMP C#CCCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000804977219 836496924 /nfs/dbraw/zinc/49/69/24/836496924.db2.gz RGQWMTGPGJLOSE-UHFFFAOYSA-N 2 1 350.488 0.927 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059255 844399348 /nfs/dbraw/zinc/39/93/48/844399348.db2.gz HWXTWPKCONLOPW-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102059255 844399352 /nfs/dbraw/zinc/39/93/52/844399352.db2.gz HWXTWPKCONLOPW-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102059255 844399362 /nfs/dbraw/zinc/39/93/62/844399362.db2.gz HWXTWPKCONLOPW-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488746 844525167 /nfs/dbraw/zinc/52/51/67/844525167.db2.gz HABUJSQEKREJCD-IAGOWNOFSA-N 2 1 353.507 0.984 20 30 FCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001083174659 840773259 /nfs/dbraw/zinc/77/32/59/840773259.db2.gz SDAFSOJEYVJHCF-KSZLIROESA-N 2 1 351.491 0.973 20 30 FCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001083174659 840773262 /nfs/dbraw/zinc/77/32/62/840773262.db2.gz SDAFSOJEYVJHCF-KSZLIROESA-N 2 1 351.491 0.973 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001083174659 840773267 /nfs/dbraw/zinc/77/32/67/840773267.db2.gz SDAFSOJEYVJHCF-KSZLIROESA-N 2 1 351.491 0.973 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001083174659 840773272 /nfs/dbraw/zinc/77/32/72/840773272.db2.gz SDAFSOJEYVJHCF-KSZLIROESA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599178 844588326 /nfs/dbraw/zinc/58/83/26/844588326.db2.gz SFLJDXCDHFNUEE-IAGOWNOFSA-N 2 1 350.507 0.849 20 30 FCEDMP C=CCOCC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001098371450 843911257 /nfs/dbraw/zinc/91/12/57/843911257.db2.gz RHFFLHPNGJFVGU-SJLPKXTDSA-N 2 1 353.507 0.815 20 30 FCEDMP C=CCOCC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371450 843911260 /nfs/dbraw/zinc/91/12/60/843911260.db2.gz RHFFLHPNGJFVGU-SJLPKXTDSA-N 2 1 353.507 0.815 20 30 FCEDMP C=CCOCC[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001098371450 843911265 /nfs/dbraw/zinc/91/12/65/843911265.db2.gz RHFFLHPNGJFVGU-SJLPKXTDSA-N 2 1 353.507 0.815 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103084055 844697869 /nfs/dbraw/zinc/69/78/69/844697869.db2.gz WMEFZNDUJVQQGK-HZPDHXFCSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106336337 845159437 /nfs/dbraw/zinc/15/94/37/845159437.db2.gz JGLYICUWNKUIHG-OWCLPIDISA-N 2 1 350.507 0.539 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276814782 861624897 /nfs/dbraw/zinc/62/48/97/861624897.db2.gz KHDWMMFWVGTLJZ-IEBWSBKVSA-N 2 1 350.507 0.238 20 30 FCEDMP C=C[C@@H](O)C[N@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276814782 861624903 /nfs/dbraw/zinc/62/49/03/861624903.db2.gz KHDWMMFWVGTLJZ-IEBWSBKVSA-N 2 1 350.507 0.238 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276814782 861624910 /nfs/dbraw/zinc/62/49/10/861624910.db2.gz KHDWMMFWVGTLJZ-IEBWSBKVSA-N 2 1 350.507 0.238 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129030194 848798446 /nfs/dbraw/zinc/79/84/46/848798446.db2.gz UJTTUKLDFVJWHT-OAGGEKHMSA-N 2 1 352.458 0.876 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001130307439 848998852 /nfs/dbraw/zinc/99/88/52/848998852.db2.gz PYTKUYABBBKVLS-APWZRJJASA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277775309 862067412 /nfs/dbraw/zinc/06/74/12/862067412.db2.gz MUKPULLYCXBSMF-HKUYNNGSSA-N 2 1 353.507 0.816 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111188 851753864 /nfs/dbraw/zinc/75/38/64/851753864.db2.gz WUIYIXWLIMUNGH-GVDBMIGSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)[C@@H]2C1 ZINC001189111188 851753865 /nfs/dbraw/zinc/75/38/65/851753865.db2.gz WUIYIXWLIMUNGH-GVDBMIGSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642295 854043471 /nfs/dbraw/zinc/04/34/71/854043471.db2.gz FSHCOYFBFQKCED-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642295 854043476 /nfs/dbraw/zinc/04/34/76/854043476.db2.gz FSHCOYFBFQKCED-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001210426176 854108235 /nfs/dbraw/zinc/10/82/35/854108235.db2.gz BFTBIYMXABUKTO-ZACQAIPSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754198 855232644 /nfs/dbraw/zinc/23/26/44/855232644.db2.gz KLQJJRPFUDJISM-IXDOHACOSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645044 855457646 /nfs/dbraw/zinc/45/76/46/855457646.db2.gz BIFJIDKHFOTKDT-DLBZAZTESA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[NH+]1C[C@H]2OCCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645044 855457650 /nfs/dbraw/zinc/45/76/50/855457650.db2.gz BIFJIDKHFOTKDT-DLBZAZTESA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645044 855457654 /nfs/dbraw/zinc/45/76/54/855457654.db2.gz BIFJIDKHFOTKDT-DLBZAZTESA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@H]2C1 ZINC001218645044 855457660 /nfs/dbraw/zinc/45/76/60/855457660.db2.gz BIFJIDKHFOTKDT-DLBZAZTESA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763958 856675720 /nfs/dbraw/zinc/67/57/20/856675720.db2.gz MROSYPZGULWTDV-KZNAEPCWSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763958 856675725 /nfs/dbraw/zinc/67/57/25/856675725.db2.gz MROSYPZGULWTDV-KZNAEPCWSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763958 856675729 /nfs/dbraw/zinc/67/57/29/856675729.db2.gz MROSYPZGULWTDV-KZNAEPCWSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001221763958 856675734 /nfs/dbraw/zinc/67/57/34/856675734.db2.gz MROSYPZGULWTDV-KZNAEPCWSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221894962 856725555 /nfs/dbraw/zinc/72/55/55/856725555.db2.gz PNOYFOJYKURIBR-SJLPKXTDSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001227453733 857160797 /nfs/dbraw/zinc/16/07/97/857160797.db2.gz HKXCJLDHSQJFHA-BHYGNILZSA-N 2 1 350.507 0.988 20 30 FCEDMP C#CCOC[C@@H](O)CN1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001251835089 857755963 /nfs/dbraw/zinc/75/59/63/857755963.db2.gz FLBNFZZXFYGPOY-WMZOPIPTSA-N 2 1 352.475 0.737 20 30 FCEDMP C=CC1CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC001326907906 870565131 /nfs/dbraw/zinc/56/51/31/870565131.db2.gz RLWCPKLRXCIYJF-UHFFFAOYSA-N 2 1 350.507 0.895 20 30 FCEDMP CN(CCNC(=[NH2+])NCCC[NH+]1CCOCC1)Cc1ccc(F)cc1 ZINC000267280028 529853306 /nfs/dbraw/zinc/85/33/06/529853306.db2.gz GTTAGKCLWCMKGY-UHFFFAOYSA-N 2 1 351.470 0.884 20 30 FCEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000285241370 213308865 /nfs/dbraw/zinc/30/88/65/213308865.db2.gz XWTCQMSMFRUWMQ-UHFFFAOYSA-N 2 1 371.485 0.659 20 30 FCEDMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419935693 246378709 /nfs/dbraw/zinc/37/87/09/246378709.db2.gz CWDACWDOOVTGSC-OAHLLOKOSA-N 2 1 357.458 0.304 20 30 FCEDMP C[C@H](C[NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419935693 246378713 /nfs/dbraw/zinc/37/87/13/246378713.db2.gz CWDACWDOOVTGSC-OAHLLOKOSA-N 2 1 357.458 0.304 20 30 FCEDMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424160333 247173126 /nfs/dbraw/zinc/17/31/26/247173126.db2.gz UGEHTQMDMXMQOX-KRWDZBQOSA-N 2 1 357.458 0.963 20 30 FCEDMP COc1ccc(OC)c([C@H](O)CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264113494 532986628 /nfs/dbraw/zinc/98/66/28/532986628.db2.gz RTJQGYWJAWZSFW-MRXNPFEDSA-N 2 1 366.462 0.364 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)c1ccccc1Cl ZINC000264143566 229326292 /nfs/dbraw/zinc/32/62/92/229326292.db2.gz XFEPSTMZOGEIIR-UHFFFAOYSA-N 2 1 367.881 0.696 20 30 FCEDMP C[NH+]1C[C@H]2CN(c3nc(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)ccc3C#N)C[C@H]2C1 ZINC000278285955 488865060 /nfs/dbraw/zinc/86/50/60/488865060.db2.gz CDDARSJWRFYSAB-USTZCAOPSA-N 2 1 352.486 0.949 20 30 FCEDMP C[NH+]1C[C@H]2CN(c3ccc(C#N)c(N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)n3)C[C@H]2C1 ZINC000278285955 488865062 /nfs/dbraw/zinc/86/50/62/488865062.db2.gz CDDARSJWRFYSAB-USTZCAOPSA-N 2 1 352.486 0.949 20 30 FCEDMP C[NH+]1C[C@H]2CN(c3ccc(C#N)c(N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)n3)C[C@H]2C1 ZINC000278285955 488865064 /nfs/dbraw/zinc/86/50/64/488865064.db2.gz CDDARSJWRFYSAB-USTZCAOPSA-N 2 1 352.486 0.949 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@]1(N2CCOCC2)CCSC1 ZINC000303880453 488893134 /nfs/dbraw/zinc/89/31/34/488893134.db2.gz KGTMVRZBDVUDKN-RDJZCZTQSA-N 3 1 355.552 0.583 20 30 FCEDMP C[NH+]1CCN(C(=O)CC[NH+]2CCC([C@@H](O)C(=O)NC3CC3)CC2)CC1 ZINC000328673037 488929332 /nfs/dbraw/zinc/92/93/32/488929332.db2.gz IRDGMAVAVHJYPJ-QGZVFWFLSA-N 2 1 352.479 0.342 20 30 FCEDMP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000328818974 488940725 /nfs/dbraw/zinc/94/07/25/488940725.db2.gz PHABEPRGSNVXKA-INIZCTEOSA-N 2 1 351.495 0.481 20 30 FCEDMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000328818974 488940728 /nfs/dbraw/zinc/94/07/28/488940728.db2.gz PHABEPRGSNVXKA-INIZCTEOSA-N 2 1 351.495 0.481 20 30 FCEDMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000328945469 488954021 /nfs/dbraw/zinc/95/40/21/488954021.db2.gz MBRGLJIVTGMGIJ-SFHVURJKSA-N 2 1 364.494 0.934 20 30 FCEDMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](O)(Cn3ccnn3)C2)CC1 ZINC000328945469 488954023 /nfs/dbraw/zinc/95/40/23/488954023.db2.gz MBRGLJIVTGMGIJ-SFHVURJKSA-N 2 1 364.494 0.934 20 30 FCEDMP C=CC[NH+]1CCC(NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000192611633 488423088 /nfs/dbraw/zinc/42/30/88/488423088.db2.gz KLGJOGUNPLZQJY-UHFFFAOYSA-N 2 1 369.535 0.990 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000180983028 488862796 /nfs/dbraw/zinc/86/27/96/488862796.db2.gz SPLZVDKPKZWWAP-HNNXBMFYSA-N 2 1 352.479 0.916 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@@H]2C)CC1 ZINC000180983028 488862797 /nfs/dbraw/zinc/86/27/97/488862797.db2.gz SPLZVDKPKZWWAP-HNNXBMFYSA-N 2 1 352.479 0.916 20 30 FCEDMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000329155510 488975137 /nfs/dbraw/zinc/97/51/37/488975137.db2.gz BQCQDRZYZQOQMT-ULQDDVLXSA-N 2 1 353.511 0.331 20 30 FCEDMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000329288212 488989828 /nfs/dbraw/zinc/98/98/28/488989828.db2.gz MQXUABKRNDAOJV-INIZCTEOSA-N 2 1 351.495 0.625 20 30 FCEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000329426385 489003623 /nfs/dbraw/zinc/00/36/23/489003623.db2.gz GNPJQBSAWGHDST-FGTMMUONSA-N 2 1 367.538 0.721 20 30 FCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000329506429 489011397 /nfs/dbraw/zinc/01/13/97/489011397.db2.gz ZOSWKIHHQZROGI-QGZVFWFLSA-N 2 1 353.511 0.190 20 30 FCEDMP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000331103937 489174076 /nfs/dbraw/zinc/17/40/76/489174076.db2.gz FFQRHHZKFQLXCQ-OAHLLOKOSA-N 2 1 353.511 0.727 20 30 FCEDMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000331103937 489174079 /nfs/dbraw/zinc/17/40/79/489174079.db2.gz FFQRHHZKFQLXCQ-OAHLLOKOSA-N 2 1 353.511 0.727 20 30 FCEDMP C[NH+]1CCN(C(=O)CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000564857835 491331878 /nfs/dbraw/zinc/33/18/78/491331878.db2.gz ZDPMECVWIZGLFZ-UHFFFAOYSA-N 2 1 364.471 0.086 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCn1cnc(C#N)n1 ZINC000510609469 490527981 /nfs/dbraw/zinc/52/79/81/490527981.db2.gz ZFLRIBSWVGQDHH-OAHLLOKOSA-N 2 1 362.482 0.207 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000572364153 491365274 /nfs/dbraw/zinc/36/52/74/491365274.db2.gz VSMDZYUIVZPZBF-ZCNNSNEGSA-N 2 1 360.502 0.665 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000572364153 491365277 /nfs/dbraw/zinc/36/52/77/491365277.db2.gz VSMDZYUIVZPZBF-ZCNNSNEGSA-N 2 1 360.502 0.665 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O ZINC000609584285 492215048 /nfs/dbraw/zinc/21/50/48/492215048.db2.gz WUQXZMGXEYRFLA-JKSUJKDBSA-N 2 1 361.490 0.423 20 30 FCEDMP O=C(NCC#CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@@H]1CCC[NH+]1C1CC1 ZINC000683869567 493375807 /nfs/dbraw/zinc/37/58/07/493375807.db2.gz QWDRXWWFBDZPNM-ROUUACIJSA-N 2 1 358.486 0.476 20 30 FCEDMP C[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262600533 526372034 /nfs/dbraw/zinc/37/20/34/526372034.db2.gz YKKUQOBHLLHWSG-DOTOQJQBSA-N 2 1 363.506 0.369 20 30 FCEDMP C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262791836 526375065 /nfs/dbraw/zinc/37/50/65/526375065.db2.gz OGNXSHKODMYZPN-MAUKXSAKSA-N 2 1 350.463 0.717 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261977307 528811019 /nfs/dbraw/zinc/81/10/19/528811019.db2.gz NXXCGJRZXSBBFO-RCCFBDPRSA-N 2 1 361.538 0.977 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1N1CCN(C)CC1 ZINC000264081515 529101285 /nfs/dbraw/zinc/10/12/85/529101285.db2.gz HNMWELRVULTEML-KRWDZBQOSA-N 2 1 359.522 0.722 20 30 FCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264081515 529101290 /nfs/dbraw/zinc/10/12/90/529101290.db2.gz HNMWELRVULTEML-KRWDZBQOSA-N 3 1 359.522 0.722 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000264081515 529101293 /nfs/dbraw/zinc/10/12/93/529101293.db2.gz HNMWELRVULTEML-KRWDZBQOSA-N 3 1 359.522 0.722 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001104306028 1169872888 /nfs/dbraw/zinc/87/28/88/1169872888.db2.gz GVEHRBLUGJGGGM-KURKYZTESA-N 2 1 358.490 0.450 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCn2cncn2)C1 ZINC001104306028 1169872890 /nfs/dbraw/zinc/87/28/90/1169872890.db2.gz GVEHRBLUGJGGGM-KURKYZTESA-N 2 1 358.490 0.450 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1OCC ZINC001691318674 1171087358 /nfs/dbraw/zinc/08/73/58/1171087358.db2.gz JNSFZPYEKYUDLN-QBPKDAKJSA-N 2 1 366.506 0.082 20 30 FCEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001211557064 1172066032 /nfs/dbraw/zinc/06/60/32/1172066032.db2.gz AAKKYOGXXRQKRH-RCCFBDPRSA-N 2 1 369.469 0.305 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972834597 1180878356 /nfs/dbraw/zinc/87/83/56/1180878356.db2.gz AOTBQRFRBXVRBD-FGTMMUONSA-N 2 1 370.497 0.239 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C[C@H]21 ZINC000972834597 1180878359 /nfs/dbraw/zinc/87/83/59/1180878359.db2.gz AOTBQRFRBXVRBD-FGTMMUONSA-N 2 1 370.497 0.239 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21 ZINC000972842478 1180886660 /nfs/dbraw/zinc/88/66/60/1180886660.db2.gz BZONKBMNPZDAOU-ZJPYXAASSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]21 ZINC000972842478 1180886662 /nfs/dbraw/zinc/88/66/62/1180886662.db2.gz BZONKBMNPZDAOU-ZJPYXAASSA-N 2 1 360.502 0.484 20 30 FCEDMP C[C@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112529515 1186083330 /nfs/dbraw/zinc/08/33/30/1186083330.db2.gz CSVNVCKMGFPSPA-BXWFABGCSA-N 2 1 361.490 0.329 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887617 1191135974 /nfs/dbraw/zinc/13/59/74/1191135974.db2.gz XLNRNNAEGDVJFP-RYQLBKOJSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887617 1191135977 /nfs/dbraw/zinc/13/59/77/1191135977.db2.gz XLNRNNAEGDVJFP-RYQLBKOJSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001075887617 1191135980 /nfs/dbraw/zinc/13/59/80/1191135980.db2.gz XLNRNNAEGDVJFP-RYQLBKOJSA-N 2 1 360.502 0.790 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#Cc3ccccc3)C[C@@H]2O)CC[N@H+]1C ZINC001083474383 1193907114 /nfs/dbraw/zinc/90/71/14/1193907114.db2.gz DIGZOGJSNMNNRV-NMLBUPMWSA-N 2 1 355.482 0.930 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077023631 1195159801 /nfs/dbraw/zinc/15/98/01/1195159801.db2.gz LCQQITCZHNXGQT-UTRMSSBJSA-N 2 1 372.469 0.590 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077023631 1195159807 /nfs/dbraw/zinc/15/98/07/1195159807.db2.gz LCQQITCZHNXGQT-UTRMSSBJSA-N 2 1 372.469 0.590 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)CC[NH+]1C ZINC001077023631 1195159815 /nfs/dbraw/zinc/15/98/15/1195159815.db2.gz LCQQITCZHNXGQT-UTRMSSBJSA-N 2 1 372.469 0.590 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@H]2O)CC[NH+]1C ZINC001077023631 1195159821 /nfs/dbraw/zinc/15/98/21/1195159821.db2.gz LCQQITCZHNXGQT-UTRMSSBJSA-N 2 1 372.469 0.590 20 30 FCEDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)C2 ZINC000592432210 1196622792 /nfs/dbraw/zinc/62/27/92/1196622792.db2.gz MUVHCSCXLYFNOK-IRXDYDNUSA-N 2 1 370.453 0.942 20 30 FCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106246561 1197780474 /nfs/dbraw/zinc/78/04/74/1197780474.db2.gz OLNUQYDLSDASEH-KZNAEPCWSA-N 2 1 361.490 0.147 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248689 1197782734 /nfs/dbraw/zinc/78/27/34/1197782734.db2.gz WHJSHYBKGZSHMJ-KZNAEPCWSA-N 2 1 362.518 0.398 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@H]1C ZINC001106352472 1197874687 /nfs/dbraw/zinc/87/46/87/1197874687.db2.gz VPVGUXQCNKTLSF-ZIAGYGMSSA-N 2 1 363.462 0.336 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455444 1197936699 /nfs/dbraw/zinc/93/66/99/1197936699.db2.gz UGCGTWOFUZFKME-QUJXQBBWSA-N 2 1 363.502 0.736 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442901 1200288511 /nfs/dbraw/zinc/28/85/11/1200288511.db2.gz LPSXGKHDKCSEBX-BDXSIMOUSA-N 2 1 372.513 0.722 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442901 1200288515 /nfs/dbraw/zinc/28/85/15/1200288515.db2.gz LPSXGKHDKCSEBX-BDXSIMOUSA-N 2 1 372.513 0.722 20 30 FCEDMP C#CCN1CCN(C(=O)C[NH2+][C@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000787301771 1200878385 /nfs/dbraw/zinc/87/83/85/1200878385.db2.gz DPEXBRWZBDSELW-OALUTQOASA-N 2 1 364.534 0.490 20 30 FCEDMP C#CCN1CCN(C(=O)C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000787301771 1200878388 /nfs/dbraw/zinc/87/83/88/1200878388.db2.gz DPEXBRWZBDSELW-OALUTQOASA-N 2 1 364.534 0.490 20 30 FCEDMP O=C1NCC2(CC[NH+](CC#CC[NH+]3CCC4(CNC(=O)O4)CC3)CC2)O1 ZINC000792880431 1201217086 /nfs/dbraw/zinc/21/70/86/1201217086.db2.gz RKULRCFHEUXOKK-UHFFFAOYSA-N 2 1 362.430 0.139 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129433870 1201314425 /nfs/dbraw/zinc/31/44/25/1201314425.db2.gz XBBCJDLZZAXWIX-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441285 1201317640 /nfs/dbraw/zinc/31/76/40/1201317640.db2.gz PSKCQUZNYCZEDH-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441285 1201317645 /nfs/dbraw/zinc/31/76/45/1201317645.db2.gz PSKCQUZNYCZEDH-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441285 1201317650 /nfs/dbraw/zinc/31/76/50/1201317650.db2.gz PSKCQUZNYCZEDH-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001129441285 1201317654 /nfs/dbraw/zinc/31/76/54/1201317654.db2.gz PSKCQUZNYCZEDH-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001129982989 1201462616 /nfs/dbraw/zinc/46/26/16/1201462616.db2.gz MBEPJOLKHVSMLQ-JQHSSLGASA-N 2 1 367.457 0.410 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130086139 1201494237 /nfs/dbraw/zinc/49/42/37/1201494237.db2.gz NENIJJSPAXAFIL-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096475 1201499171 /nfs/dbraw/zinc/49/91/71/1201499171.db2.gz HUSAWQTYHFAAJI-SJORKVTESA-N 2 1 364.494 0.554 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153449 1201517927 /nfs/dbraw/zinc/51/79/27/1201517927.db2.gz RYENOKXGRPDWCO-MSOLQXFVSA-N 2 1 354.458 0.938 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153449 1201517932 /nfs/dbraw/zinc/51/79/32/1201517932.db2.gz RYENOKXGRPDWCO-MSOLQXFVSA-N 2 1 354.458 0.938 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001130232469 1201557246 /nfs/dbraw/zinc/55/72/46/1201557246.db2.gz IIHJDXHDHVIKQH-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC[NH+](C)C)n[nH]1 ZINC001130232469 1201557250 /nfs/dbraw/zinc/55/72/50/1201557250.db2.gz IIHJDXHDHVIKQH-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555402 1202715763 /nfs/dbraw/zinc/71/57/63/1202715763.db2.gz AWYCEMRTHPTYPW-JQHSSLGASA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555402 1202715765 /nfs/dbraw/zinc/71/57/65/1202715765.db2.gz AWYCEMRTHPTYPW-JQHSSLGASA-N 2 1 361.490 0.601 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCCC[NH+](C)C)n[nH]2)O1 ZINC001130817618 1202808560 /nfs/dbraw/zinc/80/85/60/1202808560.db2.gz WFRMUHJVECDCEU-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130943734 1202826932 /nfs/dbraw/zinc/82/69/32/1202826932.db2.gz GUOCZYVFYNIAHL-BRWVUGGUSA-N 2 1 359.474 0.048 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014813 1202845641 /nfs/dbraw/zinc/84/56/41/1202845641.db2.gz HUVWJCQNXWEWKO-YFHUEUNASA-N 2 1 359.474 0.047 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014813 1202845644 /nfs/dbraw/zinc/84/56/44/1202845644.db2.gz HUVWJCQNXWEWKO-YFHUEUNASA-N 2 1 359.474 0.047 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C[C@H]1c1cncn1C ZINC001131115686 1202865074 /nfs/dbraw/zinc/86/50/74/1202865074.db2.gz VBUKGTDKJKICLR-HLIPFELVSA-N 2 1 355.486 0.813 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001131316829 1202886348 /nfs/dbraw/zinc/88/63/48/1202886348.db2.gz XRINUGRABNFFDG-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001131316829 1202886349 /nfs/dbraw/zinc/88/63/49/1202886349.db2.gz XRINUGRABNFFDG-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316829 1202886350 /nfs/dbraw/zinc/88/63/50/1202886350.db2.gz XRINUGRABNFFDG-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001131316829 1202886352 /nfs/dbraw/zinc/88/63/52/1202886352.db2.gz XRINUGRABNFFDG-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372713 1224846855 /nfs/dbraw/zinc/84/68/55/1224846855.db2.gz ICLRYGBXBCAJDZ-MOPGFXCFSA-N 2 1 361.486 0.525 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372713 1224846856 /nfs/dbraw/zinc/84/68/56/1224846856.db2.gz ICLRYGBXBCAJDZ-MOPGFXCFSA-N 2 1 361.486 0.525 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCc2ccccc2)[C@@H](O)C1 ZINC001220372713 1224846860 /nfs/dbraw/zinc/84/68/60/1224846860.db2.gz ICLRYGBXBCAJDZ-MOPGFXCFSA-N 2 1 361.486 0.525 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993528 1204884661 /nfs/dbraw/zinc/88/46/61/1204884661.db2.gz DXHZBFBBTGSGAW-KSZLIROESA-N 2 1 361.490 0.599 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993528 1204884663 /nfs/dbraw/zinc/88/46/63/1204884663.db2.gz DXHZBFBBTGSGAW-KSZLIROESA-N 2 1 361.490 0.599 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1cnn(C)c1 ZINC001086993730 1204884936 /nfs/dbraw/zinc/88/49/36/1204884936.db2.gz OOMZDUDOYCAZIG-AYOQOUSVSA-N 2 1 366.469 0.705 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092299580 1205233402 /nfs/dbraw/zinc/23/34/02/1205233402.db2.gz CFMGVHNWPBHAFT-HLIPFELVSA-N 2 1 358.486 0.000 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001092687459 1205335407 /nfs/dbraw/zinc/33/54/07/1205335407.db2.gz IWLSCWBOKJHWPT-NUJGCVRESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001092687459 1205335410 /nfs/dbraw/zinc/33/54/10/1205335410.db2.gz IWLSCWBOKJHWPT-NUJGCVRESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001092687459 1205335413 /nfs/dbraw/zinc/33/54/13/1205335413.db2.gz IWLSCWBOKJHWPT-NUJGCVRESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(C)C2CC2)C[C@H]1C ZINC001092687459 1205335415 /nfs/dbraw/zinc/33/54/15/1205335415.db2.gz IWLSCWBOKJHWPT-NUJGCVRESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nonc3C)C[C@H]2C)CC1 ZINC001093221797 1206061995 /nfs/dbraw/zinc/06/19/95/1206061995.db2.gz DIYRIONHTCHDSO-RHSMWYFYSA-N 2 1 359.474 0.907 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nonc3C)C[C@H]2C)CC1 ZINC001093221797 1206061998 /nfs/dbraw/zinc/06/19/98/1206061998.db2.gz DIYRIONHTCHDSO-RHSMWYFYSA-N 2 1 359.474 0.907 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)C1=O ZINC001094221306 1206203687 /nfs/dbraw/zinc/20/36/87/1206203687.db2.gz GCLAXDGDHUTEKK-DJIMGWMZSA-N 2 1 359.474 0.663 20 30 FCEDMP CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC001110386230 1206509434 /nfs/dbraw/zinc/50/94/34/1206509434.db2.gz KFSKMFHCIKGIKK-WCXIOVBPSA-N 2 1 361.490 0.564 20 30 FCEDMP CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CCCN1C)C2 ZINC001110386230 1206509438 /nfs/dbraw/zinc/50/94/38/1206509438.db2.gz KFSKMFHCIKGIKK-WCXIOVBPSA-N 2 1 361.490 0.564 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188188845 1207431155 /nfs/dbraw/zinc/43/11/55/1207431155.db2.gz HDQBYRLDORHVGI-OKZBNKHCSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)[C@@H]2C1 ZINC001188188845 1207431158 /nfs/dbraw/zinc/43/11/58/1207431158.db2.gz HDQBYRLDORHVGI-OKZBNKHCSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188188845 1207431163 /nfs/dbraw/zinc/43/11/63/1207431163.db2.gz HDQBYRLDORHVGI-OKZBNKHCSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](CC(C)C)C3)[C@@H]2C1 ZINC001188188845 1207431165 /nfs/dbraw/zinc/43/11/65/1207431165.db2.gz HDQBYRLDORHVGI-OKZBNKHCSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](CCC)C3)[C@@H]2C1 ZINC001188919008 1207487390 /nfs/dbraw/zinc/48/73/90/1207487390.db2.gz SZTPSVBQRDAZSK-OKZBNKHCSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+](CCC)C3)[C@@H]2C1 ZINC001188919008 1207487392 /nfs/dbraw/zinc/48/73/92/1207487392.db2.gz SZTPSVBQRDAZSK-OKZBNKHCSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188919008 1207487398 /nfs/dbraw/zinc/48/73/98/1207487398.db2.gz SZTPSVBQRDAZSK-OKZBNKHCSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)[C@@H]2C1 ZINC001188919008 1207487400 /nfs/dbraw/zinc/48/74/00/1207487400.db2.gz SZTPSVBQRDAZSK-OKZBNKHCSA-N 2 1 360.502 0.391 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148260 1207647514 /nfs/dbraw/zinc/64/75/14/1207647514.db2.gz DYVLVJWSURWRSW-OKZBNKHCSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148260 1207647520 /nfs/dbraw/zinc/64/75/20/1207647520.db2.gz DYVLVJWSURWRSW-OKZBNKHCSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148260 1207647525 /nfs/dbraw/zinc/64/75/25/1207647525.db2.gz DYVLVJWSURWRSW-OKZBNKHCSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148260 1207647531 /nfs/dbraw/zinc/64/75/31/1207647531.db2.gz DYVLVJWSURWRSW-OKZBNKHCSA-N 2 1 360.502 0.671 20 30 FCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C[C@@H]([NH+]3CCOCC3)C13CCC3)C2 ZINC000884413407 1210733369 /nfs/dbraw/zinc/73/33/69/1210733369.db2.gz RUGXXEGNHIYHQB-RVKOJVRFSA-N 2 1 358.486 0.885 20 30 FCEDMP C#CCN(C(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)C1CC[NH+](C)CC1 ZINC000886581056 1210832641 /nfs/dbraw/zinc/83/26/41/1210832641.db2.gz IQIVYMXWXMUSGW-HKUYNNGSSA-N 2 1 374.529 0.875 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000890369219 1210975783 /nfs/dbraw/zinc/97/57/83/1210975783.db2.gz SSDUYEYVVHXLCZ-SJORKVTESA-N 2 1 365.522 0.476 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000890369219 1210975785 /nfs/dbraw/zinc/97/57/85/1210975785.db2.gz SSDUYEYVVHXLCZ-SJORKVTESA-N 2 1 365.522 0.476 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000890369218 1210975887 /nfs/dbraw/zinc/97/58/87/1210975887.db2.gz SSDUYEYVVHXLCZ-IRXDYDNUSA-N 2 1 365.522 0.476 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1 ZINC000890369218 1210975891 /nfs/dbraw/zinc/97/58/91/1210975891.db2.gz SSDUYEYVVHXLCZ-IRXDYDNUSA-N 2 1 365.522 0.476 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831036 1210986420 /nfs/dbraw/zinc/98/64/20/1210986420.db2.gz PQCQKEMJKXKXAK-COXLTSFISA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831036 1210986424 /nfs/dbraw/zinc/98/64/24/1210986424.db2.gz PQCQKEMJKXKXAK-COXLTSFISA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831036 1210986430 /nfs/dbraw/zinc/98/64/30/1210986430.db2.gz PQCQKEMJKXKXAK-COXLTSFISA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831036 1210986434 /nfs/dbraw/zinc/98/64/34/1210986434.db2.gz PQCQKEMJKXKXAK-COXLTSFISA-N 2 1 359.470 0.221 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831409 1210986975 /nfs/dbraw/zinc/98/69/75/1210986975.db2.gz YRUQKPTWTYOOTM-COXLTSFISA-N 2 1 361.486 0.774 20 30 FCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831409 1210986978 /nfs/dbraw/zinc/98/69/78/1210986978.db2.gz YRUQKPTWTYOOTM-COXLTSFISA-N 2 1 361.486 0.774 20 30 FCEDMP C=CCOCC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831409 1210986981 /nfs/dbraw/zinc/98/69/81/1210986981.db2.gz YRUQKPTWTYOOTM-COXLTSFISA-N 2 1 361.486 0.774 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3cnc(C#N)cn3)CC2)CC[N@H+]1C ZINC001111323688 1212643591 /nfs/dbraw/zinc/64/35/91/1212643591.db2.gz PVMTYMAQPXEGSC-RHSMWYFYSA-N 2 1 371.489 0.681 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001221644767 1225415672 /nfs/dbraw/zinc/41/56/72/1225415672.db2.gz YHDQVAPXJSPHCF-QZTJIDSGSA-N 2 1 363.502 0.527 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001221644767 1225415675 /nfs/dbraw/zinc/41/56/75/1225415675.db2.gz YHDQVAPXJSPHCF-QZTJIDSGSA-N 2 1 363.502 0.527 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701233 1225448255 /nfs/dbraw/zinc/44/82/55/1225448255.db2.gz JMZALLQYNHZFPF-SYJBPTKTSA-N 2 1 361.486 0.585 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701233 1225448257 /nfs/dbraw/zinc/44/82/57/1225448257.db2.gz JMZALLQYNHZFPF-SYJBPTKTSA-N 2 1 361.486 0.585 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701233 1225448260 /nfs/dbraw/zinc/44/82/60/1225448260.db2.gz JMZALLQYNHZFPF-SYJBPTKTSA-N 2 1 361.486 0.585 20 30 FCEDMP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000304763158 1213491644 /nfs/dbraw/zinc/49/16/44/1213491644.db2.gz WNEIHCQCKVXLRV-RHSMWYFYSA-N 2 1 361.490 0.823 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987936 1216884842 /nfs/dbraw/zinc/88/48/42/1216884842.db2.gz ATJKDSYRIMIRPL-FGTMMUONSA-N 2 1 356.474 0.517 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001069987936 1216884845 /nfs/dbraw/zinc/88/48/45/1216884845.db2.gz ATJKDSYRIMIRPL-FGTMMUONSA-N 2 1 356.474 0.517 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045666 1216920763 /nfs/dbraw/zinc/92/07/63/1216920763.db2.gz NFXLWOGJDFVBBV-KSZLIROESA-N 2 1 358.490 0.907 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045666 1216920768 /nfs/dbraw/zinc/92/07/68/1216920768.db2.gz NFXLWOGJDFVBBV-KSZLIROESA-N 2 1 358.490 0.907 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000804057872 1219110671 /nfs/dbraw/zinc/11/06/71/1219110671.db2.gz CEBOFANYWNMPKC-DLBZAZTESA-N 2 1 364.490 0.123 20 30 FCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](n2ccnn2)C1 ZINC001070072053 1219138703 /nfs/dbraw/zinc/13/87/03/1219138703.db2.gz YYLKOMUGMXMYFU-MSOLQXFVSA-N 2 1 358.490 0.928 20 30 FCEDMP C=CC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](n2ccnn2)C1 ZINC001070072053 1219138705 /nfs/dbraw/zinc/13/87/05/1219138705.db2.gz YYLKOMUGMXMYFU-MSOLQXFVSA-N 2 1 358.490 0.928 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]2n2ccnn2)CC1 ZINC001070102560 1219177368 /nfs/dbraw/zinc/17/73/68/1219177368.db2.gz QOSDBCPRYQDUGC-MOPGFXCFSA-N 2 1 370.501 0.765 20 30 FCEDMP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001070367093 1219398664 /nfs/dbraw/zinc/39/86/64/1219398664.db2.gz DNNOXEPWJIDQBO-LMMKCTJWSA-N 2 1 360.502 0.579 20 30 FCEDMP C=CCC[NH2+]Cc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685446 1219810672 /nfs/dbraw/zinc/81/06/72/1219810672.db2.gz IHUJUIGDJJQJJD-DJIMGWMZSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268844 1220257253 /nfs/dbraw/zinc/25/72/53/1220257253.db2.gz ZPACIOINVJKDGJ-QINHECLXSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268844 1220257255 /nfs/dbraw/zinc/25/72/55/1220257255.db2.gz ZPACIOINVJKDGJ-QINHECLXSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268844 1220257258 /nfs/dbraw/zinc/25/72/58/1220257258.db2.gz ZPACIOINVJKDGJ-QINHECLXSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342729 1220295313 /nfs/dbraw/zinc/29/53/13/1220295313.db2.gz KQCINAFYJMRPCA-MDZRGWNJSA-N 2 1 360.502 0.246 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)CCC[NH+](C)C)C[C@]3(C)C2)C1=O ZINC001101345091 1220296542 /nfs/dbraw/zinc/29/65/42/1220296542.db2.gz SWLHKQALWNCPKH-UWVAXJGDSA-N 2 1 362.518 0.895 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365606 1220304211 /nfs/dbraw/zinc/30/42/11/1220304211.db2.gz AFGCCNCLFRCVCP-UZLBHIALSA-N 2 1 360.502 0.248 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365606 1220304215 /nfs/dbraw/zinc/30/42/15/1220304215.db2.gz AFGCCNCLFRCVCP-UZLBHIALSA-N 2 1 360.502 0.248 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@]2(C)C1 ZINC001101365606 1220304218 /nfs/dbraw/zinc/30/42/18/1220304218.db2.gz AFGCCNCLFRCVCP-UZLBHIALSA-N 2 1 360.502 0.248 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819321 1220408472 /nfs/dbraw/zinc/40/84/72/1220408472.db2.gz FEGFVOKKQHQXBC-ZACQAIPSSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819321 1220408476 /nfs/dbraw/zinc/40/84/76/1220408476.db2.gz FEGFVOKKQHQXBC-ZACQAIPSSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819321 1220408478 /nfs/dbraw/zinc/40/84/78/1220408478.db2.gz FEGFVOKKQHQXBC-ZACQAIPSSA-N 2 1 363.506 0.527 20 30 FCEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C)[NH+](C)C ZINC001102085917 1220490892 /nfs/dbraw/zinc/49/08/92/1220490892.db2.gz IAXYVEJEHTUGRU-BRWVUGGUSA-N 2 1 365.522 0.773 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102087958 1220491672 /nfs/dbraw/zinc/49/16/72/1220491672.db2.gz DXUPDHLYLZLMTF-RBSFLKMASA-N 2 1 367.494 0.023 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579153 1220701458 /nfs/dbraw/zinc/70/14/58/1220701458.db2.gz KGMDVPNNNKBEMX-QZTJIDSGSA-N 2 1 362.518 0.967 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102601217 1220723551 /nfs/dbraw/zinc/72/35/51/1220723551.db2.gz RIMLDQNSRGVOTM-HUUCEWRRSA-N 2 1 367.494 0.023 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601217 1220723559 /nfs/dbraw/zinc/72/35/59/1220723559.db2.gz RIMLDQNSRGVOTM-HUUCEWRRSA-N 2 1 367.494 0.023 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102601217 1220723565 /nfs/dbraw/zinc/72/35/65/1220723565.db2.gz RIMLDQNSRGVOTM-HUUCEWRRSA-N 2 1 367.494 0.023 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001103004937 1220819079 /nfs/dbraw/zinc/81/90/79/1220819079.db2.gz GOSVXWWQRKQHCF-ZJPYXAASSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103004937 1220819082 /nfs/dbraw/zinc/81/90/82/1220819082.db2.gz GOSVXWWQRKQHCF-ZJPYXAASSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001103004937 1220819083 /nfs/dbraw/zinc/81/90/83/1220819083.db2.gz GOSVXWWQRKQHCF-ZJPYXAASSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001103103277 1220834035 /nfs/dbraw/zinc/83/40/35/1220834035.db2.gz BKTZSAIBYNSPGY-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001103103277 1220834037 /nfs/dbraw/zinc/83/40/37/1220834037.db2.gz BKTZSAIBYNSPGY-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001103103277 1220834038 /nfs/dbraw/zinc/83/40/38/1220834038.db2.gz BKTZSAIBYNSPGY-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001103396624 1220876965 /nfs/dbraw/zinc/87/69/65/1220876965.db2.gz AXAUQGZBBHPCTF-JFIYKMOQSA-N 2 1 362.518 0.540 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001103570945 1220904985 /nfs/dbraw/zinc/90/49/85/1220904985.db2.gz MUKPMCNFSNMWIY-IAGOWNOFSA-N 2 1 363.506 0.432 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@H+](C)C1CCC1)C2 ZINC001112401382 1221252740 /nfs/dbraw/zinc/25/27/40/1221252740.db2.gz AVAZVMCYZZFSBJ-JXFKEZNVSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112429341 1221257690 /nfs/dbraw/zinc/25/76/90/1221257690.db2.gz WTYFPIBWYUZPAX-ZWOKBUDYSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000838622791 1222688623 /nfs/dbraw/zinc/68/86/23/1222688623.db2.gz NHWJJVZDNVUKAK-HXUWFJFHSA-N 2 1 358.486 0.878 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000838622791 1222688627 /nfs/dbraw/zinc/68/86/27/1222688627.db2.gz NHWJJVZDNVUKAK-HXUWFJFHSA-N 2 1 358.486 0.878 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000838622791 1222688629 /nfs/dbraw/zinc/68/86/29/1222688629.db2.gz NHWJJVZDNVUKAK-HXUWFJFHSA-N 2 1 358.486 0.878 20 30 FCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001156672117 1223060314 /nfs/dbraw/zinc/06/03/14/1223060314.db2.gz GVBJXZBMBMFTEA-QGZVFWFLSA-N 2 1 366.506 0.133 20 30 FCEDMP N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C3)C2)n1 ZINC001158782236 1223108984 /nfs/dbraw/zinc/10/89/84/1223108984.db2.gz MZZVXEUKFAHHNI-LPHOPBHVSA-N 2 1 372.473 0.075 20 30 FCEDMP C=CCN1CCN(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)COC(C)(C)C)CC1 ZINC001160437541 1223160164 /nfs/dbraw/zinc/16/01/64/1223160164.db2.gz ZVJDMJHQZRAMCA-HOTGVXAUSA-N 2 1 366.506 0.450 20 30 FCEDMP N#CCCN1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)CC1 ZINC001160483232 1223162669 /nfs/dbraw/zinc/16/26/69/1223162669.db2.gz GNZVALCECFDGRV-LJQANCHMSA-N 2 1 367.497 0.766 20 30 FCEDMP N#CCCN1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)CC1 ZINC001160483232 1223162671 /nfs/dbraw/zinc/16/26/71/1223162671.db2.gz GNZVALCECFDGRV-LJQANCHMSA-N 2 1 367.497 0.766 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070767 1223513621 /nfs/dbraw/zinc/51/36/21/1223513621.db2.gz RDERDZGDJVPURE-IXDOHACOSA-N 2 1 363.506 0.669 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210282826 1223680493 /nfs/dbraw/zinc/68/04/93/1223680493.db2.gz CQOOSUCGKHXPEH-FGTMMUONSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210282826 1223680497 /nfs/dbraw/zinc/68/04/97/1223680497.db2.gz CQOOSUCGKHXPEH-FGTMMUONSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210282826 1223680500 /nfs/dbraw/zinc/68/05/00/1223680500.db2.gz CQOOSUCGKHXPEH-FGTMMUONSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210282826 1223680504 /nfs/dbraw/zinc/68/05/04/1223680504.db2.gz CQOOSUCGKHXPEH-FGTMMUONSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210486206 1223694550 /nfs/dbraw/zinc/69/45/50/1223694550.db2.gz OOWPCQRRPRVEBI-HUUCEWRRSA-N 2 1 367.494 0.167 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210486206 1223694556 /nfs/dbraw/zinc/69/45/56/1223694556.db2.gz OOWPCQRRPRVEBI-HUUCEWRRSA-N 2 1 367.494 0.167 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210486206 1223694561 /nfs/dbraw/zinc/69/45/61/1223694561.db2.gz OOWPCQRRPRVEBI-HUUCEWRRSA-N 2 1 367.494 0.167 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210486206 1223694565 /nfs/dbraw/zinc/69/45/65/1223694565.db2.gz OOWPCQRRPRVEBI-HUUCEWRRSA-N 2 1 367.494 0.167 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCCn3ccnc3)C2)C1=O ZINC001211450348 1223743747 /nfs/dbraw/zinc/74/37/47/1223743747.db2.gz VHLVSZCBAODSRH-BRWVUGGUSA-N 2 1 359.474 0.887 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216850987 1224078939 /nfs/dbraw/zinc/07/89/39/1224078939.db2.gz VTTWDVJPQUFPBN-QGPMSJSTSA-N 2 1 357.458 0.366 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997357967 1251560409 /nfs/dbraw/zinc/56/04/09/1251560409.db2.gz SDKXMVJVMFLLLT-YDZRNGNQSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000997769144 1251697435 /nfs/dbraw/zinc/69/74/35/1251697435.db2.gz HRXYLMWJBSZJIQ-HVMFNXBNSA-N 2 1 374.529 0.918 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000997769144 1251697449 /nfs/dbraw/zinc/69/74/49/1251697449.db2.gz HRXYLMWJBSZJIQ-HVMFNXBNSA-N 2 1 374.529 0.918 20 30 FCEDMP C#CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999985764 1252259953 /nfs/dbraw/zinc/25/99/53/1252259953.db2.gz FCPFVXMLRIRVKY-OKZBNKHCSA-N 2 1 358.490 0.895 20 30 FCEDMP C#CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999985764 1252259963 /nfs/dbraw/zinc/25/99/63/1252259963.db2.gz FCPFVXMLRIRVKY-OKZBNKHCSA-N 2 1 358.490 0.895 20 30 FCEDMP C#CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999985764 1252259976 /nfs/dbraw/zinc/25/99/76/1252259976.db2.gz FCPFVXMLRIRVKY-OKZBNKHCSA-N 2 1 358.490 0.895 20 30 FCEDMP C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001518955648 1265691919 /nfs/dbraw/zinc/69/19/19/1265691919.db2.gz ULPRRFKLOVIVHC-LPHOPBHVSA-N 2 1 355.486 0.837 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@H]2O)CC1 ZINC001078227054 1255339207 /nfs/dbraw/zinc/33/92/07/1255339207.db2.gz HAJRLGZABWBNHM-GUDVDZBRSA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@H]2O)CC1 ZINC001078227248 1255339451 /nfs/dbraw/zinc/33/94/51/1255339451.db2.gz PYFBNCIUGIDDGL-WOJBJXKFSA-N 2 1 371.481 0.185 20 30 FCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079247041 1255486745 /nfs/dbraw/zinc/48/67/45/1255486745.db2.gz IKUIIOHFYJLZIM-XMTFNYHQSA-N 2 1 363.502 0.831 20 30 FCEDMP C=CC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079247041 1255486749 /nfs/dbraw/zinc/48/67/49/1255486749.db2.gz IKUIIOHFYJLZIM-XMTFNYHQSA-N 2 1 363.502 0.831 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)CC1 ZINC001080992787 1256129618 /nfs/dbraw/zinc/12/96/18/1256129618.db2.gz ZENREBPSADZDOU-RVKKMQEKSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC3CC3)C[C@H]2C)CC1 ZINC001080992787 1256129622 /nfs/dbraw/zinc/12/96/22/1256129622.db2.gz ZENREBPSADZDOU-RVKKMQEKSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001082567867 1256874313 /nfs/dbraw/zinc/87/43/13/1256874313.db2.gz HVUYIMFISRCNGF-NXHRZFHOSA-N 2 1 356.470 0.419 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001082567867 1256874321 /nfs/dbraw/zinc/87/43/21/1256874321.db2.gz HVUYIMFISRCNGF-NXHRZFHOSA-N 2 1 356.470 0.419 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cnn(CC)n3)C2)CC1 ZINC001082941248 1257159568 /nfs/dbraw/zinc/15/95/68/1257159568.db2.gz ADCBUTYBCAOCMQ-CRAIPNDOSA-N 2 1 358.490 0.580 20 30 FCEDMP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)C1 ZINC001084052943 1257865141 /nfs/dbraw/zinc/86/51/41/1257865141.db2.gz NHUWIMHZRSBMNV-JQHSSLGASA-N 2 1 358.442 0.202 20 30 FCEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)C1 ZINC001084052943 1257865149 /nfs/dbraw/zinc/86/51/49/1257865149.db2.gz NHUWIMHZRSBMNV-JQHSSLGASA-N 2 1 358.442 0.202 20 30 FCEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)C1 ZINC001084052943 1257865154 /nfs/dbraw/zinc/86/51/54/1257865154.db2.gz NHUWIMHZRSBMNV-JQHSSLGASA-N 2 1 358.442 0.202 20 30 FCEDMP C[NH+]1CC[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OCC#N)cc3)C[C@@H]2O)C1 ZINC001084052943 1257865156 /nfs/dbraw/zinc/86/51/56/1257865156.db2.gz NHUWIMHZRSBMNV-JQHSSLGASA-N 2 1 358.442 0.202 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001084409786 1258088465 /nfs/dbraw/zinc/08/84/65/1258088465.db2.gz ILODCCOLGQUARK-BPQIPLTHSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001084409786 1258088470 /nfs/dbraw/zinc/08/84/70/1258088470.db2.gz ILODCCOLGQUARK-BPQIPLTHSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001084409786 1258088476 /nfs/dbraw/zinc/08/84/76/1258088476.db2.gz ILODCCOLGQUARK-BPQIPLTHSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)C1=O ZINC001084409786 1258088481 /nfs/dbraw/zinc/08/84/81/1258088481.db2.gz ILODCCOLGQUARK-BPQIPLTHSA-N 2 1 360.502 0.790 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107449258 1259092665 /nfs/dbraw/zinc/09/26/65/1259092665.db2.gz BUXIDTXQIKTCPK-MBOZVWFJSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107449258 1259092669 /nfs/dbraw/zinc/09/26/69/1259092669.db2.gz BUXIDTXQIKTCPK-MBOZVWFJSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107449258 1259092673 /nfs/dbraw/zinc/09/26/73/1259092673.db2.gz BUXIDTXQIKTCPK-MBOZVWFJSA-N 2 1 360.502 0.581 20 30 FCEDMP CC(C)[C@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2)[NH+](C)C ZINC001107538690 1259110248 /nfs/dbraw/zinc/11/02/48/1259110248.db2.gz UCWDXCWVISXIKO-SZVBFZGTSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CCOC[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001251843891 1259765999 /nfs/dbraw/zinc/76/59/99/1259765999.db2.gz NEQDEINYAAIJAP-HSALFYBXSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001251843891 1259766005 /nfs/dbraw/zinc/76/60/05/1259766005.db2.gz NEQDEINYAAIJAP-HSALFYBXSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCOC[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)CCO[C@@H]2C1 ZINC001251843891 1259766015 /nfs/dbraw/zinc/76/60/15/1259766015.db2.gz NEQDEINYAAIJAP-HSALFYBXSA-N 2 1 359.470 0.615 20 30 FCEDMP C#CCCC[N@@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@@H]1C ZINC001279749947 1260927684 /nfs/dbraw/zinc/92/76/84/1260927684.db2.gz OHOJQTNXCBVJGQ-HNNXBMFYSA-N 2 1 358.490 0.762 20 30 FCEDMP C#CCN(CC#C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001574632468 1271429519 /nfs/dbraw/zinc/42/95/19/1271429519.db2.gz RNQXEGRPZYBUQP-CALCHBBNSA-N 2 1 370.501 0.666 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101400249 844174857 /nfs/dbraw/zinc/17/48/57/844174857.db2.gz NPLADKZEXSCJRA-MDZRGWNJSA-N 2 1 350.507 0.799 20 30 FCEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015207 838217233 /nfs/dbraw/zinc/21/72/33/838217233.db2.gz HDPCHJUATBKMLP-TVFCKZIOSA-N 2 1 351.491 0.471 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102580611 844575074 /nfs/dbraw/zinc/57/50/74/844575074.db2.gz DPXCZTCVLQQTPC-FGTMMUONSA-N 2 1 353.507 0.841 20 30 FCEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001103156738 844711812 /nfs/dbraw/zinc/71/18/12/844711812.db2.gz UFQNWKQXDWXOND-HUUCEWRRSA-N 2 1 351.495 0.431 20 30 FCEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103156738 844711818 /nfs/dbraw/zinc/71/18/18/844711818.db2.gz UFQNWKQXDWXOND-HUUCEWRRSA-N 2 1 351.495 0.431 20 30 FCEDMP CC[NH+](C)C(C)(C)C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103156738 844711823 /nfs/dbraw/zinc/71/18/23/844711823.db2.gz UFQNWKQXDWXOND-HUUCEWRRSA-N 2 1 351.495 0.431 20 30 FCEDMP CCC[N@@H+](C)CCC(=O)NCC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001103662697 844796874 /nfs/dbraw/zinc/79/68/74/844796874.db2.gz LJDIZXLKZOKLHB-HZPDHXFCSA-N 2 1 351.495 0.432 20 30 FCEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103662697 844796880 /nfs/dbraw/zinc/79/68/80/844796880.db2.gz LJDIZXLKZOKLHB-HZPDHXFCSA-N 2 1 351.495 0.432 20 30 FCEDMP CCC[NH+](C)CCC(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103662697 844796881 /nfs/dbraw/zinc/79/68/81/844796881.db2.gz LJDIZXLKZOKLHB-HZPDHXFCSA-N 2 1 351.495 0.432 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C)C1=O ZINC001106910579 845284235 /nfs/dbraw/zinc/28/42/35/845284235.db2.gz DYYYZSVIXFFHCL-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001111786987 846206083 /nfs/dbraw/zinc/20/60/83/846206083.db2.gz URAQARKIIVMWSK-NTDBWNAOSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001111786987 846206094 /nfs/dbraw/zinc/20/60/94/846206094.db2.gz URAQARKIIVMWSK-NTDBWNAOSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111786987 846206102 /nfs/dbraw/zinc/20/61/02/846206102.db2.gz URAQARKIIVMWSK-NTDBWNAOSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001111786987 846206111 /nfs/dbraw/zinc/20/61/11/846206111.db2.gz URAQARKIIVMWSK-NTDBWNAOSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071659 848802105 /nfs/dbraw/zinc/80/21/05/848802105.db2.gz HVYMVFYYBKVQTQ-OAGGEKHMSA-N 2 1 350.467 0.162 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071659 848802113 /nfs/dbraw/zinc/80/21/13/848802113.db2.gz HVYMVFYYBKVQTQ-OAGGEKHMSA-N 2 1 350.467 0.162 20 30 FCEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277713544 862026138 /nfs/dbraw/zinc/02/61/38/862026138.db2.gz VMNSSXZWPSUYTA-IEBWSBKVSA-N 2 1 351.491 0.263 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001195901065 852844682 /nfs/dbraw/zinc/84/46/82/852844682.db2.gz WJAPXGCMIJOXFZ-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195901065 852844685 /nfs/dbraw/zinc/84/46/85/852844685.db2.gz WJAPXGCMIJOXFZ-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195901065 852844686 /nfs/dbraw/zinc/84/46/86/852844686.db2.gz WJAPXGCMIJOXFZ-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195901065 852844689 /nfs/dbraw/zinc/84/46/89/852844689.db2.gz WJAPXGCMIJOXFZ-YESZJQIVSA-N 2 1 350.507 0.942 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@H]2O)CC1 ZINC001199030270 853357807 /nfs/dbraw/zinc/35/78/07/853357807.db2.gz SGMNHLUGOAWDII-QZTJIDSGSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@H]2O)CC1 ZINC001199030270 853357811 /nfs/dbraw/zinc/35/78/11/853357811.db2.gz SGMNHLUGOAWDII-QZTJIDSGSA-N 2 1 351.491 0.166 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001207705799 853843320 /nfs/dbraw/zinc/84/33/20/853843320.db2.gz JCDNLBVFMFEMFN-IAGOWNOFSA-N 2 1 353.507 0.984 20 30 FCEDMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001210514631 854115552 /nfs/dbraw/zinc/11/55/52/854115552.db2.gz ZKWCWJMVJCUWMO-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001210514631 854115556 /nfs/dbraw/zinc/11/55/56/854115556.db2.gz ZKWCWJMVJCUWMO-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001210514631 854115559 /nfs/dbraw/zinc/11/55/59/854115559.db2.gz ZKWCWJMVJCUWMO-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C ZINC001210514631 854115563 /nfs/dbraw/zinc/11/55/63/854115563.db2.gz ZKWCWJMVJCUWMO-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301462 854174839 /nfs/dbraw/zinc/17/48/39/854174839.db2.gz XTYGJXLTKOPQFU-IXDOHACOSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301462 854174843 /nfs/dbraw/zinc/17/48/43/854174843.db2.gz XTYGJXLTKOPQFU-IXDOHACOSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCC[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650925 855458349 /nfs/dbraw/zinc/45/83/49/855458349.db2.gz PNMLKSHFVFEVML-OKZBNKHCSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033589 855519424 /nfs/dbraw/zinc/51/94/24/855519424.db2.gz QRUYHYSFBGJUQA-FGTMMUONSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033589 855519427 /nfs/dbraw/zinc/51/94/27/855519427.db2.gz QRUYHYSFBGJUQA-FGTMMUONSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000481295895 250331323 /nfs/dbraw/zinc/33/13/23/250331323.db2.gz OLQYITBWBSBLKA-CVEARBPZSA-N 2 1 350.507 0.990 20 30 FCEDMP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262322851 229302084 /nfs/dbraw/zinc/30/20/84/229302084.db2.gz SGKKJCCKCWVZOQ-MRXNPFEDSA-N 2 1 365.522 0.617 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](O)COc1ccc(F)cc1 ZINC000264130611 229325645 /nfs/dbraw/zinc/32/56/45/229325645.db2.gz XWAWQYWCXZUGIC-OAHLLOKOSA-N 2 1 354.426 0.192 20 30 FCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)CC1 ZINC000303903936 488893181 /nfs/dbraw/zinc/89/31/81/488893181.db2.gz YNANWGDYPSMPRG-UHFFFAOYSA-N 2 1 354.499 0.149 20 30 FCEDMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000171659232 488825380 /nfs/dbraw/zinc/82/53/80/488825380.db2.gz RQJQYSLLTWVUME-UHFFFAOYSA-N 2 1 357.458 0.887 20 30 FCEDMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000171659191 488825512 /nfs/dbraw/zinc/82/55/12/488825512.db2.gz ATNIZUPTAONAIP-UHFFFAOYSA-N 2 1 357.458 0.887 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C)C1 ZINC000329298781 488991036 /nfs/dbraw/zinc/99/10/36/488991036.db2.gz UUVLAAMGAIHIJF-ULQDDVLXSA-N 2 1 368.522 0.788 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000330000813 489060169 /nfs/dbraw/zinc/06/01/69/489060169.db2.gz XDMKGIVIGZXZMM-UHFFFAOYSA-N 2 1 367.494 0.748 20 30 FCEDMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330205343 489080155 /nfs/dbraw/zinc/08/01/55/489080155.db2.gz DJPNHLMGJXIIKJ-VDHUWJSZSA-N 2 1 368.522 0.665 20 30 FCEDMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000330206365 489080747 /nfs/dbraw/zinc/08/07/47/489080747.db2.gz DEWIGKOEZUGJFK-DLBZAZTESA-N 2 1 367.538 0.721 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000330450519 489103307 /nfs/dbraw/zinc/10/33/07/489103307.db2.gz YCHTYYWTDKNUSS-OAHLLOKOSA-N 2 1 353.511 0.821 20 30 FCEDMP COCC[N@@H+](C)CCCNC1=[NH+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000370377421 489351438 /nfs/dbraw/zinc/35/14/38/489351438.db2.gz REYRQFSUBYMSFY-OAHLLOKOSA-N 2 1 369.510 0.835 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509343184 490417754 /nfs/dbraw/zinc/41/77/54/490417754.db2.gz JFKGHORHCSAWLI-HOTGVXAUSA-N 2 1 359.540 0.813 20 30 FCEDMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000532098405 490987177 /nfs/dbraw/zinc/98/71/77/490987177.db2.gz ZQSYBVRVZXFOPN-SFHVURJKSA-N 2 1 360.506 0.743 20 30 FCEDMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(CCC#N)CCC#N)C2)CC1 ZINC000532098405 490987178 /nfs/dbraw/zinc/98/71/78/490987178.db2.gz ZQSYBVRVZXFOPN-SFHVURJKSA-N 2 1 360.506 0.743 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000557730541 491394394 /nfs/dbraw/zinc/39/43/94/491394394.db2.gz BEJACVIWXALJHL-OAHLLOKOSA-N 2 1 366.506 0.057 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000557730541 491394396 /nfs/dbraw/zinc/39/43/96/491394396.db2.gz BEJACVIWXALJHL-OAHLLOKOSA-N 2 1 366.506 0.057 20 30 FCEDMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000567880090 491537272 /nfs/dbraw/zinc/53/72/72/491537272.db2.gz BQPQQRKRJNRVSC-CVEARBPZSA-N 2 1 371.485 0.835 20 30 FCEDMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000567880090 491537274 /nfs/dbraw/zinc/53/72/74/491537274.db2.gz BQPQQRKRJNRVSC-CVEARBPZSA-N 2 1 371.485 0.835 20 30 FCEDMP N#Cc1ccccc1OC[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000600721644 491878592 /nfs/dbraw/zinc/87/85/92/491878592.db2.gz DPGJEQOICFKKIS-IAGOWNOFSA-N 2 1 360.458 0.475 20 30 FCEDMP C[C@](O)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)c1ccc(F)cc1F ZINC000267386524 534155836 /nfs/dbraw/zinc/15/58/36/534155836.db2.gz BRSTXDLLTKIUIQ-KRWDZBQOSA-N 2 1 356.417 0.799 20 30 FCEDMP C[C@@H]1C[N@H+](CCCNC(=[NH2+])N2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000264115346 534459993 /nfs/dbraw/zinc/45/99/93/534459993.db2.gz PTBNLXXUIWPSSR-IYBDPMFKSA-N 2 1 361.494 0.413 20 30 FCEDMP C[NH+]=C(NCCN1CCC[N@@H+](C)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262498586 526356536 /nfs/dbraw/zinc/35/65/36/526356536.db2.gz XJEMOZIXKJSOGV-GOSISDBHSA-N 3 1 350.555 0.760 20 30 FCEDMP CNC(=O)CC1CCN(C(NC[C@@]2([NH+](C)C)CCSC2)=[NH+]C)CC1 ZINC000261795062 526375073 /nfs/dbraw/zinc/37/50/73/526375073.db2.gz QVGPMYCRANWKEO-KRWDZBQOSA-N 2 1 355.552 0.847 20 30 FCEDMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261823476 526375518 /nfs/dbraw/zinc/37/55/18/526375518.db2.gz UTPLXPQBKLRZGT-SGTLLEGYSA-N 2 1 364.494 0.355 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)=[NH+]C)CC1 ZINC000262468945 526395977 /nfs/dbraw/zinc/39/59/77/526395977.db2.gz YSKJOOFLKDERCR-NUEKZKHPSA-N 2 1 351.495 0.175 20 30 FCEDMP CCOC1CC(CNC(=[NH2+])NC[C@H]2CCC[N@H+]2CC)(N2CCOCC2)C1 ZINC000193827529 528480643 /nfs/dbraw/zinc/48/06/43/528480643.db2.gz AWOORWPWJCJOEJ-LRYGQEGESA-N 2 1 367.538 0.645 20 30 FCEDMP CC[NH+]=C(NCCn1cc[nH+]c1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261699325 528807939 /nfs/dbraw/zinc/80/79/39/528807939.db2.gz JAJOORDVCOPBTP-UHFFFAOYSA-N 2 1 358.450 0.239 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261997385 528811713 /nfs/dbraw/zinc/81/17/13/528811713.db2.gz SSOMUJRNRFGUJZ-OFQRWUPVSA-N 2 1 371.551 0.306 20 30 FCEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261715144 528812730 /nfs/dbraw/zinc/81/27/30/528812730.db2.gz HRTFVWCMOMEZNW-SJCJKPOMSA-N 2 1 352.483 0.212 20 30 FCEDMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H]1CCc2nc(C)nn2C1 ZINC000262785308 528815898 /nfs/dbraw/zinc/81/58/98/528815898.db2.gz MILQMCQNBFVQOQ-WMLDXEAASA-N 2 1 365.551 0.894 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000553670166 547299342 /nfs/dbraw/zinc/29/93/42/547299342.db2.gz ZDJNWETUXHVIQM-HZPDHXFCSA-N 2 1 350.507 0.990 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000303895367 674572982 /nfs/dbraw/zinc/57/29/82/674572982.db2.gz PKALWGCZQUBHGN-INIZCTEOSA-N 2 1 352.527 0.353 20 30 FCEDMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001033292629 667726992 /nfs/dbraw/zinc/72/69/92/667726992.db2.gz SVEXNUAJDALIJX-KURKYZTESA-N 2 1 351.491 0.975 20 30 FCEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384461 675795398 /nfs/dbraw/zinc/79/53/98/675795398.db2.gz SEVVHTSKXJKTHF-OWSLCNJRSA-N 2 1 351.491 0.423 20 30 FCEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384461 675795400 /nfs/dbraw/zinc/79/54/00/675795400.db2.gz SEVVHTSKXJKTHF-OWSLCNJRSA-N 2 1 351.491 0.423 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470117 1167766702 /nfs/dbraw/zinc/76/67/02/1167766702.db2.gz CUAQJLPHSJUMRV-LPHOPBHVSA-N 2 1 357.458 0.159 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001083220993 1170585224 /nfs/dbraw/zinc/58/52/24/1170585224.db2.gz FBYZOKNSYKMASJ-ZWKOTPCHSA-N 2 1 361.490 0.936 20 30 FCEDMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001024573079 1181348346 /nfs/dbraw/zinc/34/83/46/1181348346.db2.gz WKVMCMOITPKYHC-QRVBRYPASA-N 2 1 363.502 0.860 20 30 FCEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098610754 1182976822 /nfs/dbraw/zinc/97/68/22/1182976822.db2.gz PZICUFAFKRYFMI-KZNAEPCWSA-N 2 1 363.502 0.811 20 30 FCEDMP CC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098610754 1182976828 /nfs/dbraw/zinc/97/68/28/1182976828.db2.gz PZICUFAFKRYFMI-KZNAEPCWSA-N 2 1 363.502 0.811 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105016928 1183070267 /nfs/dbraw/zinc/07/02/67/1183070267.db2.gz HKNOYHLZJZLOBN-BFYDXBDKSA-N 2 1 359.474 0.404 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105040332 1183087612 /nfs/dbraw/zinc/08/76/12/1183087612.db2.gz HIFHFHHJLJIUSY-ZACQAIPSSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105040332 1183087621 /nfs/dbraw/zinc/08/76/21/1183087621.db2.gz HIFHFHHJLJIUSY-ZACQAIPSSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC001105244227 1183153368 /nfs/dbraw/zinc/15/33/68/1183153368.db2.gz RHYYTUHDTHPNJI-RHSMWYFYSA-N 2 1 362.478 0.294 20 30 FCEDMP C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)nn1 ZINC001105244227 1183153372 /nfs/dbraw/zinc/15/33/72/1183153372.db2.gz RHYYTUHDTHPNJI-RHSMWYFYSA-N 2 1 362.478 0.294 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC000975229664 1183792147 /nfs/dbraw/zinc/79/21/47/1183792147.db2.gz LAEQPCRZXIHWEM-VSZNYVQBSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC000975229664 1183792148 /nfs/dbraw/zinc/79/21/48/1183792148.db2.gz LAEQPCRZXIHWEM-VSZNYVQBSA-N 2 1 360.502 0.484 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001112529477 1186082616 /nfs/dbraw/zinc/08/26/16/1186082616.db2.gz AYBYFBMRCZSFKX-UWVAXJGDSA-N 2 1 362.518 0.991 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981624974 1186467253 /nfs/dbraw/zinc/46/72/53/1186467253.db2.gz CXLQOQNBRGXWLP-KSZLIROESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000981624974 1186467259 /nfs/dbraw/zinc/46/72/59/1186467259.db2.gz CXLQOQNBRGXWLP-KSZLIROESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720301 1187465600 /nfs/dbraw/zinc/46/56/00/1187465600.db2.gz DNJFESYILNSWPB-GBESFXJTSA-N 2 1 368.481 0.272 20 30 FCEDMP CN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643585 1187565084 /nfs/dbraw/zinc/56/50/84/1187565084.db2.gz DELPGPAPNNDYHO-IPMKNSEASA-N 2 1 354.454 0.922 20 30 FCEDMP CN1CCO[C@@H](C(=O)N2CC[C@H]3CN(Cc4ccc(C#N)cc4)C[C@H]32)C1 ZINC001075643585 1187565095 /nfs/dbraw/zinc/56/50/95/1187565095.db2.gz DELPGPAPNNDYHO-IPMKNSEASA-N 2 1 354.454 0.922 20 30 FCEDMP COc1ccc(C#N)cc1CN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472936 1193904971 /nfs/dbraw/zinc/90/49/71/1193904971.db2.gz XZLRPBYZFXJNBX-PILAGYSTSA-N 2 1 372.469 0.568 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)C1=O ZINC001076571407 1194576622 /nfs/dbraw/zinc/57/66/22/1194576622.db2.gz IUPGGHCTYWXVMN-YESZJQIVSA-N 2 1 357.458 0.511 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4cc[nH+]c4C)[C@@H]3C2)C1=O ZINC001076571407 1194576626 /nfs/dbraw/zinc/57/66/26/1194576626.db2.gz IUPGGHCTYWXVMN-YESZJQIVSA-N 2 1 357.458 0.511 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCCC3)[C@@H]2C)CC1 ZINC001089060011 1196879523 /nfs/dbraw/zinc/87/95/23/1196879523.db2.gz NODHFSXUQSGFBA-AEFFLSMTSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCCC3)[C@@H]2C)CC1 ZINC001089060011 1196879524 /nfs/dbraw/zinc/87/95/24/1196879524.db2.gz NODHFSXUQSGFBA-AEFFLSMTSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106266296 1197806142 /nfs/dbraw/zinc/80/61/42/1197806142.db2.gz ATCZINIIHBGPJU-NUJGCVRESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C2CC2)[C@H](C)C1 ZINC001106266296 1197806143 /nfs/dbraw/zinc/80/61/43/1197806143.db2.gz ATCZINIIHBGPJU-NUJGCVRESA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1 ZINC001106266507 1197806276 /nfs/dbraw/zinc/80/62/76/1197806276.db2.gz NRSCZXXMAGRMAZ-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCCCC)[C@H](C)C1 ZINC001106266507 1197806281 /nfs/dbraw/zinc/80/62/81/1197806281.db2.gz NRSCZXXMAGRMAZ-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001086091384 1198156736 /nfs/dbraw/zinc/15/67/36/1198156736.db2.gz VUHRZGZPQRHYMY-FLXSYLCISA-N 2 1 362.518 0.988 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001086371200 1198333868 /nfs/dbraw/zinc/33/38/68/1198333868.db2.gz VUHRZGZPQRHYMY-NNPSNHGLSA-N 2 1 362.518 0.988 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301756 1200159335 /nfs/dbraw/zinc/15/93/35/1200159335.db2.gz KNYUAPKYAMVESB-NJAFHUGGSA-N 2 1 359.474 0.430 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301756 1200159340 /nfs/dbraw/zinc/15/93/40/1200159340.db2.gz KNYUAPKYAMVESB-NJAFHUGGSA-N 2 1 359.474 0.430 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112578750 1200817327 /nfs/dbraw/zinc/81/73/27/1200817327.db2.gz FQPWZAIIQLTMOM-LPHOPBHVSA-N 2 1 357.458 0.159 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114304443 1201294267 /nfs/dbraw/zinc/29/42/67/1201294267.db2.gz QZDLADMWOAWISN-RXYDEIHYSA-N 2 1 360.502 0.574 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304443 1201294271 /nfs/dbraw/zinc/29/42/71/1201294271.db2.gz QZDLADMWOAWISN-RXYDEIHYSA-N 2 1 360.502 0.574 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114304443 1201294274 /nfs/dbraw/zinc/29/42/74/1201294274.db2.gz QZDLADMWOAWISN-RXYDEIHYSA-N 2 1 360.502 0.574 20 30 FCEDMP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C#N)[C@@H](n2ccnn2)C1 ZINC001129992092 1201470373 /nfs/dbraw/zinc/47/03/73/1201470373.db2.gz KZXUKTYKGRNRTB-MSOLQXFVSA-N 2 1 367.457 0.643 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001130026203 1201479631 /nfs/dbraw/zinc/47/96/31/1201479631.db2.gz GLJLNXXTJOXROY-CVEARBPZSA-N 2 1 355.446 0.663 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@H]2C)n1 ZINC001130237856 1201560044 /nfs/dbraw/zinc/56/00/44/1201560044.db2.gz GTMOERHLYCXYOK-ILXRZTDVSA-N 2 1 360.462 0.001 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@H]2C)[nH]1 ZINC001130237856 1201560048 /nfs/dbraw/zinc/56/00/48/1201560048.db2.gz GTMOERHLYCXYOK-ILXRZTDVSA-N 2 1 360.462 0.001 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@H]2C)[nH]1 ZINC001130237856 1201560052 /nfs/dbraw/zinc/56/00/52/1201560052.db2.gz GTMOERHLYCXYOK-ILXRZTDVSA-N 2 1 360.462 0.001 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CC[C@H](C)C2)n1 ZINC001130238005 1201560061 /nfs/dbraw/zinc/56/00/61/1201560061.db2.gz NYZRDHXVPFNRKL-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CC[C@H](C)C2)[nH]1 ZINC001130238005 1201560064 /nfs/dbraw/zinc/56/00/64/1201560064.db2.gz NYZRDHXVPFNRKL-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)[nH]1 ZINC001130238005 1201560069 /nfs/dbraw/zinc/56/00/69/1201560069.db2.gz NYZRDHXVPFNRKL-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[nH]1 ZINC001130242303 1201562711 /nfs/dbraw/zinc/56/27/11/1201562711.db2.gz QHWWOZJJZDNCMV-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615679 1202733220 /nfs/dbraw/zinc/73/32/20/1202733220.db2.gz WXFMVVDPRYNLBA-CYGHRXIMSA-N 2 1 359.474 0.047 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615679 1202733223 /nfs/dbraw/zinc/73/32/23/1202733223.db2.gz WXFMVVDPRYNLBA-CYGHRXIMSA-N 2 1 359.474 0.047 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1cn(C)cn1 ZINC001130719552 1202765988 /nfs/dbraw/zinc/76/59/88/1202765988.db2.gz XTTLIAJGQOANGH-FUHWJXTLSA-N 2 1 363.506 0.849 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C[NH+](C)C)CC3)n[nH]2)O1 ZINC001130802184 1202803437 /nfs/dbraw/zinc/80/34/37/1202803437.db2.gz GTEIKCWNDDSVIU-UONOGXRCSA-N 2 1 362.478 0.758 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC=C)C1 ZINC001131010187 1202844119 /nfs/dbraw/zinc/84/41/19/1202844119.db2.gz DUKSSVLSYMTZJU-KURKYZTESA-N 2 1 355.486 0.978 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCC=C)C1 ZINC001131010187 1202844120 /nfs/dbraw/zinc/84/41/20/1202844120.db2.gz DUKSSVLSYMTZJU-KURKYZTESA-N 2 1 355.486 0.978 20 30 FCEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1 ZINC001131101406 1202863340 /nfs/dbraw/zinc/86/33/40/1202863340.db2.gz ZSZNEMIABJKPTO-IAGOWNOFSA-N 2 1 361.490 0.296 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130173 1202868678 /nfs/dbraw/zinc/86/86/78/1202868678.db2.gz CDECFEQSLLIWOF-IAGOWNOFSA-N 2 1 363.506 0.847 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001086720868 1203019420 /nfs/dbraw/zinc/01/94/20/1203019420.db2.gz SKBNPENSZVYYQR-SCTDSRPQSA-N 2 1 357.502 0.935 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC001086720868 1203019425 /nfs/dbraw/zinc/01/94/25/1203019425.db2.gz SKBNPENSZVYYQR-SCTDSRPQSA-N 2 1 357.502 0.935 20 30 FCEDMP C#Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000817824129 1203122154 /nfs/dbraw/zinc/12/21/54/1203122154.db2.gz ZEQVCYONZGCPTL-GOSISDBHSA-N 2 1 368.481 0.569 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cnn(C)c1 ZINC001086984291 1204879037 /nfs/dbraw/zinc/87/90/37/1204879037.db2.gz IVZOTSFEESBPLX-BZZMCLGOSA-N 2 1 361.490 0.599 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cnn(C)c1 ZINC001086984291 1204879038 /nfs/dbraw/zinc/87/90/38/1204879038.db2.gz IVZOTSFEESBPLX-BZZMCLGOSA-N 2 1 361.490 0.599 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001087010230 1204897825 /nfs/dbraw/zinc/89/78/25/1204897825.db2.gz RHMUXDUJYWBYSK-RCCFBDPRSA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cnn(C)c1 ZINC001087010230 1204897826 /nfs/dbraw/zinc/89/78/26/1204897826.db2.gz RHMUXDUJYWBYSK-RCCFBDPRSA-N 2 1 361.490 0.601 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@@H](CC)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092299741 1205233435 /nfs/dbraw/zinc/23/34/35/1205233435.db2.gz FYVQFWXLICBHTR-UWVAXJGDSA-N 2 1 360.502 0.376 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nncn3C)C[C@H]2C)CC1 ZINC001093221648 1206062098 /nfs/dbraw/zinc/06/20/98/1206062098.db2.gz AIYHVQAWFIVBMX-NVXWUHKLSA-N 2 1 358.490 0.344 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nncn3C)C[C@H]2C)CC1 ZINC001093221648 1206062102 /nfs/dbraw/zinc/06/21/02/1206062102.db2.gz AIYHVQAWFIVBMX-NVXWUHKLSA-N 2 1 358.490 0.344 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3cnn(C)n3)C[C@H]2C)CC1 ZINC001093224495 1206062923 /nfs/dbraw/zinc/06/29/23/1206062923.db2.gz ZEDOMJOQECISEB-NVXWUHKLSA-N 2 1 358.490 0.344 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)n3)C[C@H]2C)CC1 ZINC001093224495 1206062929 /nfs/dbraw/zinc/06/29/29/1206062929.db2.gz ZEDOMJOQECISEB-NVXWUHKLSA-N 2 1 358.490 0.344 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C4(C[NH+](C)C)CC4)[C@@H]3C2)C1=O ZINC001188971608 1207493102 /nfs/dbraw/zinc/49/31/02/1207493102.db2.gz YAFJUVVRHGTPHF-GVDBMIGSSA-N 2 1 360.502 0.648 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167667 1207521631 /nfs/dbraw/zinc/52/16/31/1207521631.db2.gz ZLVNCZOYBQXVOI-IXDOHACOSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167667 1207521633 /nfs/dbraw/zinc/52/16/33/1207521633.db2.gz ZLVNCZOYBQXVOI-IXDOHACOSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167667 1207521634 /nfs/dbraw/zinc/52/16/34/1207521634.db2.gz ZLVNCZOYBQXVOI-IXDOHACOSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167667 1207521636 /nfs/dbraw/zinc/52/16/36/1207521636.db2.gz ZLVNCZOYBQXVOI-IXDOHACOSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212626 1207664156 /nfs/dbraw/zinc/66/41/56/1207664156.db2.gz HIGXGAUIDYEPLN-ZWKOTPCHSA-N 2 1 360.502 0.535 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190212626 1207664168 /nfs/dbraw/zinc/66/41/68/1207664168.db2.gz HIGXGAUIDYEPLN-ZWKOTPCHSA-N 2 1 360.502 0.535 20 30 FCEDMP C=C[C@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276815429 1225018297 /nfs/dbraw/zinc/01/82/97/1225018297.db2.gz PTHOBRNOMXAONH-ROUUACIJSA-N 2 1 364.534 0.389 20 30 FCEDMP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220817223 1225086377 /nfs/dbraw/zinc/08/63/77/1225086377.db2.gz QLJNDIPFUPKUHL-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220817223 1225086382 /nfs/dbraw/zinc/08/63/82/1225086382.db2.gz QLJNDIPFUPKUHL-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220817223 1225086386 /nfs/dbraw/zinc/08/63/86/1225086386.db2.gz QLJNDIPFUPKUHL-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220817223 1225086393 /nfs/dbraw/zinc/08/63/93/1225086393.db2.gz QLJNDIPFUPKUHL-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2O)CC1 ZINC001221066454 1225206941 /nfs/dbraw/zinc/20/69/41/1225206941.db2.gz YCPKSMSGILZQLF-MOPGFXCFSA-N 2 1 363.502 0.310 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2O)CC1 ZINC001221066454 1225206946 /nfs/dbraw/zinc/20/69/46/1225206946.db2.gz YCPKSMSGILZQLF-MOPGFXCFSA-N 2 1 363.502 0.310 20 30 FCEDMP C[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000930947203 1211730242 /nfs/dbraw/zinc/73/02/42/1211730242.db2.gz LPKBCVDMHNLRHE-GOSISDBHSA-N 2 1 369.469 0.459 20 30 FCEDMP C[N@H+]1CC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000930947203 1211730244 /nfs/dbraw/zinc/73/02/44/1211730244.db2.gz LPKBCVDMHNLRHE-GOSISDBHSA-N 2 1 369.469 0.459 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001221559348 1225366355 /nfs/dbraw/zinc/36/63/55/1225366355.db2.gz CPIAOAPTQSMDAY-SJLPKXTDSA-N 2 1 359.474 0.241 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001221559348 1225366360 /nfs/dbraw/zinc/36/63/60/1225366360.db2.gz CPIAOAPTQSMDAY-SJLPKXTDSA-N 2 1 359.474 0.241 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000950247906 1212541837 /nfs/dbraw/zinc/54/18/37/1212541837.db2.gz JCHIOVINPDSELP-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000950431673 1212574983 /nfs/dbraw/zinc/57/49/83/1212574983.db2.gz HCFRIGFIEMGQHQ-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221849136 1225504787 /nfs/dbraw/zinc/50/47/87/1225504787.db2.gz YCVJFWQPXRFQLK-CGTJXYLNSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221849136 1225504793 /nfs/dbraw/zinc/50/47/93/1225504793.db2.gz YCVJFWQPXRFQLK-CGTJXYLNSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046467 1225590113 /nfs/dbraw/zinc/59/01/13/1225590113.db2.gz FGGUKGXSQVKULS-RCCFBDPRSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001222046467 1225590117 /nfs/dbraw/zinc/59/01/17/1225590117.db2.gz FGGUKGXSQVKULS-RCCFBDPRSA-N 2 1 360.502 0.533 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001000702907 1216108946 /nfs/dbraw/zinc/10/89/46/1216108946.db2.gz YUNCLHFORNLUAR-NXHRZFHOSA-N 2 1 360.502 0.862 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC001000702907 1216108949 /nfs/dbraw/zinc/10/89/49/1216108949.db2.gz YUNCLHFORNLUAR-NXHRZFHOSA-N 2 1 360.502 0.862 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC=C(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1=O ZINC001000702907 1216108952 /nfs/dbraw/zinc/10/89/52/1216108952.db2.gz YUNCLHFORNLUAR-NXHRZFHOSA-N 2 1 360.502 0.862 20 30 FCEDMP C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)C1 ZINC001069838790 1216805322 /nfs/dbraw/zinc/80/53/22/1216805322.db2.gz IAXQWVVLKRUTTK-KBAYOESNSA-N 2 1 371.485 0.218 20 30 FCEDMP C#CC[NH2+][C@@H]1CCN(c2cccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)n2)C1 ZINC001069838790 1216805323 /nfs/dbraw/zinc/80/53/23/1216805323.db2.gz IAXQWVVLKRUTTK-KBAYOESNSA-N 2 1 371.485 0.218 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070008959 1216895380 /nfs/dbraw/zinc/89/53/80/1216895380.db2.gz AZILLZZEOFYHGQ-NXHRZFHOSA-N 2 1 369.473 0.963 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@@H](n2ccnn2)C1 ZINC001070008959 1216895382 /nfs/dbraw/zinc/89/53/82/1216895382.db2.gz AZILLZZEOFYHGQ-NXHRZFHOSA-N 2 1 369.473 0.963 20 30 FCEDMP C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046038090 1217988900 /nfs/dbraw/zinc/98/89/00/1217988900.db2.gz HHSKNNZIXRSNQB-CEXWTWQISA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038090 1217988907 /nfs/dbraw/zinc/98/89/07/1217988907.db2.gz HHSKNNZIXRSNQB-CEXWTWQISA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038090 1217988913 /nfs/dbraw/zinc/98/89/13/1217988913.db2.gz HHSKNNZIXRSNQB-CEXWTWQISA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038090 1217988918 /nfs/dbraw/zinc/98/89/18/1217988918.db2.gz HHSKNNZIXRSNQB-CEXWTWQISA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038090 1217988926 /nfs/dbraw/zinc/98/89/26/1217988926.db2.gz HHSKNNZIXRSNQB-CEXWTWQISA-N 2 1 364.534 0.890 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001226772996 1225853938 /nfs/dbraw/zinc/85/39/38/1225853938.db2.gz BIXDEKKGSOKYGX-BZUAXINKSA-N 2 1 357.458 0.527 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CC)CC ZINC001226860074 1225856011 /nfs/dbraw/zinc/85/60/11/1225856011.db2.gz IBSUWDZYAQMVIH-KURKYZTESA-N 2 1 362.518 0.969 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(CC)CC ZINC001226860074 1225856013 /nfs/dbraw/zinc/85/60/13/1225856013.db2.gz IBSUWDZYAQMVIH-KURKYZTESA-N 2 1 362.518 0.969 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001227224776 1225866983 /nfs/dbraw/zinc/86/69/83/1225866983.db2.gz JVEINHGJXKFPKS-KURKYZTESA-N 2 1 362.518 0.873 20 30 FCEDMP C#CCCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583323 1219087858 /nfs/dbraw/zinc/08/78/58/1219087858.db2.gz JHTXYTYGZOMFMC-SJLPKXTDSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001070068046 1219131689 /nfs/dbraw/zinc/13/16/89/1219131689.db2.gz CPILBJCUIFUXBX-MSOLQXFVSA-N 2 1 358.490 0.763 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100608 1219175242 /nfs/dbraw/zinc/17/52/42/1219175242.db2.gz YPMWTLZTLKRQAF-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100608 1219175248 /nfs/dbraw/zinc/17/52/48/1219175248.db2.gz YPMWTLZTLKRQAF-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100608 1219175257 /nfs/dbraw/zinc/17/52/57/1219175257.db2.gz YPMWTLZTLKRQAF-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100608 1219175262 /nfs/dbraw/zinc/17/52/62/1219175262.db2.gz YPMWTLZTLKRQAF-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=C)C)C[C@@H]2n2ccnn2)CC1 ZINC001070102289 1219177818 /nfs/dbraw/zinc/17/78/18/1219177818.db2.gz AVZUTKJNDIJYSL-MSOLQXFVSA-N 2 1 356.474 0.541 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=C)C)C[C@@H]2n2ccnn2)CC1 ZINC001070102289 1219177821 /nfs/dbraw/zinc/17/78/21/1219177821.db2.gz AVZUTKJNDIJYSL-MSOLQXFVSA-N 2 1 356.474 0.541 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001227444431 1225875091 /nfs/dbraw/zinc/87/50/91/1225875091.db2.gz RLCCRADNQUFYAS-NVXWUHKLSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001227444431 1225875092 /nfs/dbraw/zinc/87/50/92/1225875092.db2.gz RLCCRADNQUFYAS-NVXWUHKLSA-N 2 1 363.506 0.669 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070275361 1219342557 /nfs/dbraw/zinc/34/25/57/1219342557.db2.gz IJUWTMOBSRITPZ-NXHRZFHOSA-N 2 1 369.473 0.963 20 30 FCEDMP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001070382621 1219407952 /nfs/dbraw/zinc/40/79/52/1219407952.db2.gz IXYIAEJUODCTAK-XLIONFOSSA-N 2 1 371.485 0.690 20 30 FCEDMP C#CCC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446155 1219412569 /nfs/dbraw/zinc/41/25/69/1219412569.db2.gz UVLFLGCDGYRMBW-DJIMGWMZSA-N 2 1 370.501 0.704 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566222 1219473005 /nfs/dbraw/zinc/47/30/05/1219473005.db2.gz FJXOCLLPXFUAGA-JQHSSLGASA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070566222 1219473007 /nfs/dbraw/zinc/47/30/07/1219473007.db2.gz FJXOCLLPXFUAGA-JQHSSLGASA-N 2 1 361.490 0.601 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1cncn1C ZINC001070683545 1219523833 /nfs/dbraw/zinc/52/38/33/1219523833.db2.gz SBGIMSCOWJBKNX-KBAYOESNSA-N 2 1 366.469 0.705 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCN(C)C2=O)CC1 ZINC001098462948 1219788126 /nfs/dbraw/zinc/78/81/26/1219788126.db2.gz WDDXQVNLMSQOLO-AKHDSKFASA-N 2 1 372.513 0.674 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285028 1220267153 /nfs/dbraw/zinc/26/71/53/1220267153.db2.gz LPSJOZXPCYRKNG-YRNRMSPPSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285028 1220267158 /nfs/dbraw/zinc/26/71/58/1220267158.db2.gz LPSJOZXPCYRKNG-YRNRMSPPSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285028 1220267162 /nfs/dbraw/zinc/26/71/62/1220267162.db2.gz LPSJOZXPCYRKNG-YRNRMSPPSA-N 2 1 362.518 0.635 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461539 1220358787 /nfs/dbraw/zinc/35/87/87/1220358787.db2.gz HVUMXHWWSLAVSR-OGWOLHLISA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461539 1220358790 /nfs/dbraw/zinc/35/87/90/1220358790.db2.gz HVUMXHWWSLAVSR-OGWOLHLISA-N 2 1 359.474 0.663 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC)C[C@@]3(C)C2)CC1 ZINC001101473482 1220365708 /nfs/dbraw/zinc/36/57/08/1220365708.db2.gz YTLRYTCQHNWFAN-XLIONFOSSA-N 2 1 360.502 0.248 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101819320 1220408723 /nfs/dbraw/zinc/40/87/23/1220408723.db2.gz FEGFVOKKQHQXBC-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101819320 1220408725 /nfs/dbraw/zinc/40/87/25/1220408725.db2.gz FEGFVOKKQHQXBC-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101819320 1220408727 /nfs/dbraw/zinc/40/87/27/1220408727.db2.gz FEGFVOKKQHQXBC-BRWVUGGUSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC001101974666 1220449300 /nfs/dbraw/zinc/44/93/00/1220449300.db2.gz LHWFYWBSZIMGTK-IAGOWNOFSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102213813 1220557724 /nfs/dbraw/zinc/55/77/24/1220557724.db2.gz SYXMNNUMDIZZBF-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](CC)CC)[C@H](C)C1 ZINC001102472069 1220641970 /nfs/dbraw/zinc/64/19/70/1220641970.db2.gz GKLZLDOXVDMFMK-ZHALLVOQSA-N 2 1 364.534 0.786 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCCCCC)[C@H](C)C1 ZINC001102472051 1220641988 /nfs/dbraw/zinc/64/19/88/1220641988.db2.gz FQQWXYIJIKRBIO-QZTJIDSGSA-N 2 1 364.534 0.932 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472051 1220641989 /nfs/dbraw/zinc/64/19/89/1220641989.db2.gz FQQWXYIJIKRBIO-QZTJIDSGSA-N 2 1 364.534 0.932 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCCCCC)[C@H](C)C1 ZINC001102472051 1220641990 /nfs/dbraw/zinc/64/19/90/1220641990.db2.gz FQQWXYIJIKRBIO-QZTJIDSGSA-N 2 1 364.534 0.932 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001102583079 1220704809 /nfs/dbraw/zinc/70/48/09/1220704809.db2.gz PVVPVYQJKOYPRF-IAGOWNOFSA-N 2 1 363.506 0.576 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596397 1220718388 /nfs/dbraw/zinc/71/83/88/1220718388.db2.gz CYJBTIDYBPZWKJ-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NC(C)C)C[C@H]1C ZINC001103098965 1220832611 /nfs/dbraw/zinc/83/26/11/1220832611.db2.gz UMABNZBTPARDJR-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NC(C)C)C[C@H]1C ZINC001103098965 1220832614 /nfs/dbraw/zinc/83/26/14/1220832614.db2.gz UMABNZBTPARDJR-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1C ZINC001103098965 1220832616 /nfs/dbraw/zinc/83/26/16/1220832616.db2.gz UMABNZBTPARDJR-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NC(C)C)C[C@H]1C ZINC001103098965 1220832617 /nfs/dbraw/zinc/83/26/17/1220832617.db2.gz UMABNZBTPARDJR-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001103103276 1220833248 /nfs/dbraw/zinc/83/32/48/1220833248.db2.gz BKTZSAIBYNSPGY-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001103103276 1220833250 /nfs/dbraw/zinc/83/32/50/1220833250.db2.gz BKTZSAIBYNSPGY-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001103103276 1220833252 /nfs/dbraw/zinc/83/32/52/1220833252.db2.gz BKTZSAIBYNSPGY-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[NH+]1CCC(C)(C)C1 ZINC001103438583 1220882430 /nfs/dbraw/zinc/88/24/30/1220882430.db2.gz RBSRYZFLODCELT-HZPDHXFCSA-N 2 1 363.506 0.432 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001103438583 1220882431 /nfs/dbraw/zinc/88/24/31/1220882431.db2.gz RBSRYZFLODCELT-HZPDHXFCSA-N 2 1 363.506 0.432 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001103438583 1220882435 /nfs/dbraw/zinc/88/24/35/1220882435.db2.gz RBSRYZFLODCELT-HZPDHXFCSA-N 2 1 363.506 0.432 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646696 1220927667 /nfs/dbraw/zinc/92/76/67/1220927667.db2.gz FVVIDVWBUQOTJT-IXDOHACOSA-N 2 1 362.518 0.847 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111750975 1221089529 /nfs/dbraw/zinc/08/95/29/1221089529.db2.gz GRTXVCJPPIFPAF-QKLQHJQFSA-N 2 1 358.486 0.048 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111750975 1221089530 /nfs/dbraw/zinc/08/95/30/1221089530.db2.gz GRTXVCJPPIFPAF-QKLQHJQFSA-N 2 1 358.486 0.048 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001111855749 1221137985 /nfs/dbraw/zinc/13/79/85/1221137985.db2.gz LBBBHMVLKKJMFP-FTRWYGJKSA-N 2 1 360.502 0.437 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938345 1221179923 /nfs/dbraw/zinc/17/99/23/1221179923.db2.gz XGKMGTRMJKYRRK-FTRWYGJKSA-N 2 1 360.502 0.744 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001112134885 1221210385 /nfs/dbraw/zinc/21/03/85/1221210385.db2.gz NIYZRECCTJSWCS-VXSWHIBVSA-N 2 1 371.403 0.852 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC000834711165 1222586313 /nfs/dbraw/zinc/58/63/13/1222586313.db2.gz MKMICCMXIBEVNF-IYBDPMFKSA-N 2 1 366.506 0.321 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000834711165 1222586315 /nfs/dbraw/zinc/58/63/15/1222586315.db2.gz MKMICCMXIBEVNF-IYBDPMFKSA-N 2 1 366.506 0.321 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000836490045 1222625317 /nfs/dbraw/zinc/62/53/17/1222625317.db2.gz DFGZPMFAEXUROB-ALOPSCKCSA-N 2 1 363.506 0.324 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000836490045 1222625323 /nfs/dbraw/zinc/62/53/23/1222625323.db2.gz DFGZPMFAEXUROB-ALOPSCKCSA-N 2 1 363.506 0.324 20 30 FCEDMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cc(C#N)ccn1)CC2 ZINC001232476906 1226153661 /nfs/dbraw/zinc/15/36/61/1226153661.db2.gz YXPNJDZPINGDST-UHFFFAOYSA-N 2 1 370.501 0.623 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857404 1223178402 /nfs/dbraw/zinc/17/84/02/1223178402.db2.gz IDFLUSXRBUNTPG-IXDOHACOSA-N 2 1 368.522 0.615 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857404 1223178404 /nfs/dbraw/zinc/17/84/04/1223178404.db2.gz IDFLUSXRBUNTPG-IXDOHACOSA-N 2 1 368.522 0.615 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001205518667 1223330280 /nfs/dbraw/zinc/33/02/80/1223330280.db2.gz GLOVYBNIUIJRJJ-HLLBOEOZSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001205518667 1223330282 /nfs/dbraw/zinc/33/02/82/1223330282.db2.gz GLOVYBNIUIJRJJ-HLLBOEOZSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207554142 1223455911 /nfs/dbraw/zinc/45/59/11/1223455911.db2.gz WJZXOZYUJAKMQF-SUMDDJOVSA-N 2 1 362.518 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207554142 1223455915 /nfs/dbraw/zinc/45/59/15/1223455915.db2.gz WJZXOZYUJAKMQF-SUMDDJOVSA-N 2 1 362.518 0.964 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207767385 1223478290 /nfs/dbraw/zinc/47/82/90/1223478290.db2.gz VLBHXFCENONFLC-NVXWUHKLSA-N 2 1 357.458 0.094 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207767385 1223478294 /nfs/dbraw/zinc/47/82/94/1223478294.db2.gz VLBHXFCENONFLC-NVXWUHKLSA-N 2 1 357.458 0.094 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861661 1223949248 /nfs/dbraw/zinc/94/92/48/1223949248.db2.gz ZSTFZUABSIMQIM-NVXWUHKLSA-N 2 1 363.506 0.669 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216850986 1224079197 /nfs/dbraw/zinc/07/91/97/1224079197.db2.gz VTTWDVJPQUFPBN-KYJSFNMBSA-N 2 1 357.458 0.366 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)CC1 ZINC001080992786 1256129266 /nfs/dbraw/zinc/12/92/66/1256129266.db2.gz ZENREBPSADZDOU-IIDMSEBBSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NC3CC3)C[C@H]2C)CC1 ZINC001080992786 1256129274 /nfs/dbraw/zinc/12/92/74/1256129274.db2.gz ZENREBPSADZDOU-IIDMSEBBSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCOC3)C[C@H]2OC)CC1 ZINC001082384185 1256735303 /nfs/dbraw/zinc/73/53/03/1256735303.db2.gz HPWBWQKFQNHPTM-BHIYHBOVSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccccc3)C[C@@H]2O)CC1 ZINC001084088031 1257910883 /nfs/dbraw/zinc/91/08/83/1257910883.db2.gz MZEQIJSHVXSUTM-UXHICEINSA-N 2 1 355.482 0.736 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(C)nc3C)C[C@@H]2O)CC1 ZINC001084089343 1257913923 /nfs/dbraw/zinc/91/39/23/1257913923.db2.gz FDUZUZRIPGVHGK-UXHICEINSA-N 2 1 370.497 0.705 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C)nc3C)C[C@@H]2O)CC1 ZINC001084089343 1257913928 /nfs/dbraw/zinc/91/39/28/1257913928.db2.gz FDUZUZRIPGVHGK-UXHICEINSA-N 2 1 370.497 0.705 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1=O ZINC001084404028 1258083761 /nfs/dbraw/zinc/08/37/61/1258083761.db2.gz OPLVROKLPMMERT-BRWVUGGUSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)C1=O ZINC001084404028 1258083767 /nfs/dbraw/zinc/08/37/67/1258083767.db2.gz OPLVROKLPMMERT-BRWVUGGUSA-N 2 1 360.502 0.790 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001084778234 1258320366 /nfs/dbraw/zinc/32/03/66/1258320366.db2.gz MQDPWPVVCWCEHV-BRWVUGGUSA-N 2 1 358.486 0.402 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001084778234 1258320374 /nfs/dbraw/zinc/32/03/74/1258320374.db2.gz MQDPWPVVCWCEHV-BRWVUGGUSA-N 2 1 358.486 0.402 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCc3ccnn3C)[C@H]2C1 ZINC001084961170 1258472085 /nfs/dbraw/zinc/47/20/85/1258472085.db2.gz PIXZLRAPZMWOJU-HOJAQTOUSA-N 2 1 369.513 0.983 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCc3ccnn3C)[C@H]2C1 ZINC001084961170 1258472090 /nfs/dbraw/zinc/47/20/90/1258472090.db2.gz PIXZLRAPZMWOJU-HOJAQTOUSA-N 2 1 369.513 0.983 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCc3ccnn3C)[C@H]2C1 ZINC001084961170 1258472096 /nfs/dbraw/zinc/47/20/96/1258472096.db2.gz PIXZLRAPZMWOJU-HOJAQTOUSA-N 2 1 369.513 0.983 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCc3ccnn3C)[C@H]2C1 ZINC001084961170 1258472100 /nfs/dbraw/zinc/47/21/00/1258472100.db2.gz PIXZLRAPZMWOJU-HOJAQTOUSA-N 2 1 369.513 0.983 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1C ZINC001106667089 1258936793 /nfs/dbraw/zinc/93/67/93/1258936793.db2.gz HMLUIQIANSBHMW-HYVNUMGLSA-N 2 1 371.485 0.187 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001107439359 1259090672 /nfs/dbraw/zinc/09/06/72/1259090672.db2.gz XJZPIEXASOXLFL-YLJYHZDGSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439359 1259090679 /nfs/dbraw/zinc/09/06/79/1259090679.db2.gz XJZPIEXASOXLFL-YLJYHZDGSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001107439359 1259090687 /nfs/dbraw/zinc/09/06/87/1259090687.db2.gz XJZPIEXASOXLFL-YLJYHZDGSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546860 1259111974 /nfs/dbraw/zinc/11/19/74/1259111974.db2.gz RKDBWNCKHPFAQJ-SQGPQFPESA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546860 1259111978 /nfs/dbraw/zinc/11/19/78/1259111978.db2.gz RKDBWNCKHPFAQJ-SQGPQFPESA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546860 1259111986 /nfs/dbraw/zinc/11/19/86/1259111986.db2.gz RKDBWNCKHPFAQJ-SQGPQFPESA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609513 1259132052 /nfs/dbraw/zinc/13/20/52/1259132052.db2.gz VTCKGAWVYVSKHC-MBOZVWFJSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609513 1259132055 /nfs/dbraw/zinc/13/20/55/1259132055.db2.gz VTCKGAWVYVSKHC-MBOZVWFJSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609513 1259132058 /nfs/dbraw/zinc/13/20/58/1259132058.db2.gz VTCKGAWVYVSKHC-MBOZVWFJSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCc3cncn3C)CCC[C@@H]12 ZINC001107622722 1259135365 /nfs/dbraw/zinc/13/53/65/1259135365.db2.gz URDVGVUDDMODPJ-YLJYHZDGSA-N 2 1 371.485 0.463 20 30 FCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@H]1n1ccnn1 ZINC001129223982 1259347175 /nfs/dbraw/zinc/34/71/75/1259347175.db2.gz QPGDTVCTTNOVBL-MSOLQXFVSA-N 2 1 367.457 0.643 20 30 FCEDMP C[NH+](C)CCC(=O)N[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1n1ccnn1 ZINC001129223982 1259347185 /nfs/dbraw/zinc/34/71/85/1259347185.db2.gz QPGDTVCTTNOVBL-MSOLQXFVSA-N 2 1 367.457 0.643 20 30 FCEDMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC001335398423 1259644928 /nfs/dbraw/zinc/64/49/28/1259644928.db2.gz OWEDWYOSESWADB-SFHVURJKSA-N 2 1 370.453 0.942 20 30 FCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001251839942 1259764432 /nfs/dbraw/zinc/76/44/32/1259764432.db2.gz KGLJRGFAMZLTID-GUDVDZBRSA-N 2 1 363.502 0.404 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001574966768 1271685640 /nfs/dbraw/zinc/68/56/40/1271685640.db2.gz HGNRUXKCZYQFLX-APWZRJJASA-N 2 1 372.517 0.909 20 30 FCEDMP CC[N@H+]1CC[C@H](Cn2c([C@H]3CCC[NH2+]C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001577763694 1274847946 /nfs/dbraw/zinc/84/79/46/1274847946.db2.gz HNZSJWYIUBWBBO-ULQDDVLXSA-N 2 1 373.505 0.816 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001692082659 1289388364 /nfs/dbraw/zinc/38/83/64/1289388364.db2.gz FOZHMRLSFJZFKA-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001692082659 1289388372 /nfs/dbraw/zinc/38/83/72/1289388372.db2.gz FOZHMRLSFJZFKA-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001692082659 1289388379 /nfs/dbraw/zinc/38/83/79/1289388379.db2.gz FOZHMRLSFJZFKA-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+](CC)CC)C1 ZINC001757357086 1290759248 /nfs/dbraw/zinc/75/92/48/1290759248.db2.gz OIMHAOLNCPZBGK-KSZLIROESA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)C[NH+](CC)CC)C1 ZINC001757357086 1290759252 /nfs/dbraw/zinc/75/92/52/1290759252.db2.gz OIMHAOLNCPZBGK-KSZLIROESA-N 2 1 362.518 0.827 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219835 837636096 /nfs/dbraw/zinc/63/60/96/837636096.db2.gz MSCNSUDWXDONBU-ILXRZTDVSA-N 2 1 352.870 0.856 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219835 837636099 /nfs/dbraw/zinc/63/60/99/837636099.db2.gz MSCNSUDWXDONBU-ILXRZTDVSA-N 2 1 352.870 0.856 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070213588 837635183 /nfs/dbraw/zinc/63/51/83/837635183.db2.gz RPFHHQSOGSGMRC-ILXRZTDVSA-N 2 1 354.886 0.958 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101392703 844172601 /nfs/dbraw/zinc/17/26/01/844172601.db2.gz AGOBRGOENXXMIK-MJGOQNOKSA-N 2 1 351.491 0.692 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101392703 844172608 /nfs/dbraw/zinc/17/26/08/844172608.db2.gz AGOBRGOENXXMIK-MJGOQNOKSA-N 2 1 351.491 0.692 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021585 844384920 /nfs/dbraw/zinc/38/49/20/844384920.db2.gz TXLVQQAAYMHWCD-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021585 844384931 /nfs/dbraw/zinc/38/49/31/844384931.db2.gz TXLVQQAAYMHWCD-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021585 844384943 /nfs/dbraw/zinc/38/49/43/844384943.db2.gz TXLVQQAAYMHWCD-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001078227428 839417259 /nfs/dbraw/zinc/41/72/59/839417259.db2.gz ZDSCVDANYCKYLQ-IAGOWNOFSA-N 2 1 362.499 0.192 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3ccns3)C[C@H]2O)CC1 ZINC001078227428 839417263 /nfs/dbraw/zinc/41/72/63/839417263.db2.gz ZDSCVDANYCKYLQ-IAGOWNOFSA-N 2 1 362.499 0.192 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102215777 844447478 /nfs/dbraw/zinc/44/74/78/844447478.db2.gz YOOYXJRUHBAODA-HZPDHXFCSA-N 2 1 350.507 0.847 20 30 FCEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](CC)CC ZINC001102356394 844474077 /nfs/dbraw/zinc/47/40/77/844474077.db2.gz IQWVJOCSMJNEDX-OAGGEKHMSA-N 2 1 351.495 0.431 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@H](C)F)C[C@@H]32)CC1 ZINC001083283784 840868136 /nfs/dbraw/zinc/86/81/36/840868136.db2.gz SZNZKCTVSLHJRM-RYQLBKOJSA-N 2 1 351.466 0.991 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001099283821 844003458 /nfs/dbraw/zinc/00/34/58/844003458.db2.gz KONREHVOZVGUQP-NTTUHNMPSA-N 2 1 357.376 0.462 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001104294383 844891732 /nfs/dbraw/zinc/89/17/32/844891732.db2.gz MSJHRLXHNIJYHA-HZPDHXFCSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104353665 844896879 /nfs/dbraw/zinc/89/68/79/844896879.db2.gz DDHJMFKDDAYGJY-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001104679117 844932468 /nfs/dbraw/zinc/93/24/68/844932468.db2.gz GTKQWDQEECJHQO-BRWVUGGUSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001105042309 844973853 /nfs/dbraw/zinc/97/38/53/844973853.db2.gz VQPFNJJSKMJZBS-KURKYZTESA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001105042309 844973856 /nfs/dbraw/zinc/97/38/56/844973856.db2.gz VQPFNJJSKMJZBS-KURKYZTESA-N 2 1 353.507 0.984 20 30 FCEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105978932 845071808 /nfs/dbraw/zinc/07/18/08/845071808.db2.gz MJQKWYCXKPQJHX-BNOWGMLFSA-N 2 1 360.296 0.910 20 30 FCEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105978932 845071809 /nfs/dbraw/zinc/07/18/09/845071809.db2.gz MJQKWYCXKPQJHX-BNOWGMLFSA-N 2 1 360.296 0.910 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112120111 846398524 /nfs/dbraw/zinc/39/85/24/846398524.db2.gz DCCOWSMSFKNODA-JHJVBQTASA-N 2 1 364.412 0.608 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313024 849094241 /nfs/dbraw/zinc/09/42/41/849094241.db2.gz FHZPJZNSKNAIJC-OAGGEKHMSA-N 2 1 350.463 0.620 20 30 FCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313189 849095813 /nfs/dbraw/zinc/09/58/13/849095813.db2.gz JNNHJHAITTXWSN-XHSDSOJGSA-N 2 1 350.463 0.620 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313189 849095820 /nfs/dbraw/zinc/09/58/20/849095820.db2.gz JNNHJHAITTXWSN-XHSDSOJGSA-N 2 1 350.463 0.620 20 30 FCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410525 851430830 /nfs/dbraw/zinc/43/08/30/851430830.db2.gz XWDUDAOXMRXCDE-IXDOHACOSA-N 2 1 351.491 0.736 20 30 FCEDMP C=CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC12CCOCC2 ZINC001186410525 851430838 /nfs/dbraw/zinc/43/08/38/851430838.db2.gz XWDUDAOXMRXCDE-IXDOHACOSA-N 2 1 351.491 0.736 20 30 FCEDMP C=CCN(CC[N@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)C(=O)OCC ZINC001278201956 862250004 /nfs/dbraw/zinc/25/00/04/862250004.db2.gz IQANQZZUAAXVMR-SJORKVTESA-N 2 1 354.495 0.578 20 30 FCEDMP C=CCN(CC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)C(=O)OCC ZINC001278201956 862250020 /nfs/dbraw/zinc/25/00/20/862250020.db2.gz IQANQZZUAAXVMR-SJORKVTESA-N 2 1 354.495 0.578 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756004 852483103 /nfs/dbraw/zinc/48/31/03/852483103.db2.gz OSJMCPRZTKRMPW-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756004 852483107 /nfs/dbraw/zinc/48/31/07/852483107.db2.gz OSJMCPRZTKRMPW-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193756004 852483110 /nfs/dbraw/zinc/48/31/10/852483110.db2.gz OSJMCPRZTKRMPW-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193756004 852483113 /nfs/dbraw/zinc/48/31/13/852483113.db2.gz OSJMCPRZTKRMPW-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCCC)C[C@H]2O)CC1 ZINC001199029105 853357963 /nfs/dbraw/zinc/35/79/63/853357963.db2.gz FNDWEYXOLJQGMF-QZTJIDSGSA-N 2 1 351.491 0.310 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001200554736 853502215 /nfs/dbraw/zinc/50/22/15/853502215.db2.gz MBSPKPRQROCWBR-OKZBNKHCSA-N 2 1 351.491 0.574 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787044 853511356 /nfs/dbraw/zinc/51/13/56/853511356.db2.gz MSFNEXOGWWSKJO-BRWVUGGUSA-N 2 1 355.479 0.115 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200787044 853511358 /nfs/dbraw/zinc/51/13/58/853511358.db2.gz MSFNEXOGWWSKJO-BRWVUGGUSA-N 2 1 355.479 0.115 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149845 854002035 /nfs/dbraw/zinc/00/20/35/854002035.db2.gz HEAPSSXHIKKHNE-HLLBOEOZSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001209149845 854002037 /nfs/dbraw/zinc/00/20/37/854002037.db2.gz HEAPSSXHIKKHNE-HLLBOEOZSA-N 2 1 350.507 0.846 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585241 854038491 /nfs/dbraw/zinc/03/84/91/854038491.db2.gz ISLLTIBPBIWBRI-JFIYKMOQSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](CC)CC)C1 ZINC001209585241 854038497 /nfs/dbraw/zinc/03/84/97/854038497.db2.gz ISLLTIBPBIWBRI-JFIYKMOQSA-N 2 1 350.507 0.539 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C2)C1=O ZINC001210426170 854108690 /nfs/dbraw/zinc/10/86/90/854108690.db2.gz BFTBIYMXABUKTO-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCCCOC)C[C@@H]2O)CC1 ZINC001221066350 856444950 /nfs/dbraw/zinc/44/49/50/856444950.db2.gz SFLWFKFFZHGJDH-MSOLQXFVSA-N 2 1 351.491 0.310 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@@H]2O)CC1 ZINC001221066352 856445183 /nfs/dbraw/zinc/44/51/83/856445183.db2.gz SGMNHLUGOAWDII-MSOLQXFVSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC(C)C)C[C@@H]2O)CC1 ZINC001221066352 856445186 /nfs/dbraw/zinc/44/51/86/856445186.db2.gz SGMNHLUGOAWDII-MSOLQXFVSA-N 2 1 351.491 0.166 20 30 FCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CN[C@H](C(=O)N2CCSC2)C1 ZINC001246303465 857573013 /nfs/dbraw/zinc/57/30/13/857573013.db2.gz HUCGXFZWIONHIZ-ILXRZTDVSA-N 2 1 370.519 0.066 20 30 FCEDMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC(C)(C)C#N ZINC001261311084 858513948 /nfs/dbraw/zinc/51/39/48/858513948.db2.gz HHUDBQXDLYLWLT-UHFFFAOYSA-N 2 1 351.495 0.479 20 30 FCEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(C)CC(C)(C)C#N ZINC001261311084 858513952 /nfs/dbraw/zinc/51/39/52/858513952.db2.gz HHUDBQXDLYLWLT-UHFFFAOYSA-N 2 1 351.495 0.479 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC3(C2)OCCO3)CC1 ZINC001347874313 872516698 /nfs/dbraw/zinc/51/66/98/872516698.db2.gz JOIOJNQSOZSJRW-UHFFFAOYSA-N 2 1 352.479 0.775 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)NCC[N@H+]2CCC3(C2)OCCO3)CC1 ZINC001347874313 872516704 /nfs/dbraw/zinc/51/67/04/872516704.db2.gz JOIOJNQSOZSJRW-UHFFFAOYSA-N 2 1 352.479 0.775 20 30 FCEDMP Cc1nnc(CNC(=[NH+]C2CC2)N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C ZINC000261948893 229292784 /nfs/dbraw/zinc/29/27/84/229292784.db2.gz GSNUFFLIZBZUDM-HNNXBMFYSA-N 2 1 361.494 0.386 20 30 FCEDMP COc1cccc([C@@H](CNC(=[NH2+])NCCC[NH+]2CCOCC2)N(C)C)c1 ZINC000264134568 533716506 /nfs/dbraw/zinc/71/65/06/533716506.db2.gz UWEWFQNYQGMTLY-GOSISDBHSA-N 2 1 363.506 0.925 20 30 FCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000329021420 488960746 /nfs/dbraw/zinc/96/07/46/488960746.db2.gz MEDBMCVLUAYPRS-KZNAEPCWSA-N 2 1 368.522 0.705 20 30 FCEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)C1 ZINC000329021420 488960748 /nfs/dbraw/zinc/96/07/48/488960748.db2.gz MEDBMCVLUAYPRS-KZNAEPCWSA-N 2 1 368.522 0.705 20 30 FCEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000329021420 488960751 /nfs/dbraw/zinc/96/07/51/488960751.db2.gz MEDBMCVLUAYPRS-KZNAEPCWSA-N 2 1 368.522 0.705 20 30 FCEDMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)CN2CCO[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000329021419 488961067 /nfs/dbraw/zinc/96/10/67/488961067.db2.gz MEDBMCVLUAYPRS-FGTMMUONSA-N 2 1 368.522 0.705 20 30 FCEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCO[C@@H]3CC[N@H+](C)C[C@@H]32)C1 ZINC000329021419 488961069 /nfs/dbraw/zinc/96/10/69/488961069.db2.gz MEDBMCVLUAYPRS-FGTMMUONSA-N 2 1 368.522 0.705 20 30 FCEDMP CC(C)C[NH+]1CCO[C@H](CNC(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000329021419 488961071 /nfs/dbraw/zinc/96/10/71/488961071.db2.gz MEDBMCVLUAYPRS-FGTMMUONSA-N 2 1 368.522 0.705 20 30 FCEDMP CN(C)C(=O)c1cccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000081987149 488445004 /nfs/dbraw/zinc/44/50/04/488445004.db2.gz RVQSRKVDBHGRET-UHFFFAOYSA-N 2 1 361.490 0.558 20 30 FCEDMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)Nc1cccc(C#N)c1 ZINC000114501973 488540829 /nfs/dbraw/zinc/54/08/29/488540829.db2.gz MTLWRLMHLAFWPZ-QGZVFWFLSA-N 2 1 373.501 0.865 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(N2CCCC2=O)c1 ZINC000170904627 488817546 /nfs/dbraw/zinc/81/75/46/488817546.db2.gz AGUTVNWTZCYTKD-UHFFFAOYSA-N 2 1 359.474 0.940 20 30 FCEDMP COCC[N@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000329285456 488989458 /nfs/dbraw/zinc/98/94/58/488989458.db2.gz OIKAKMJXIYZFOG-KSZLIROESA-N 2 1 368.522 0.979 20 30 FCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000329399215 489001612 /nfs/dbraw/zinc/00/16/12/489001612.db2.gz YJEOCADNTZCTAQ-GOSISDBHSA-N 2 1 367.538 0.581 20 30 FCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330173172 489076020 /nfs/dbraw/zinc/07/60/20/489076020.db2.gz HCLGBNDFSZHAQK-BRWVUGGUSA-N 2 1 353.511 0.114 20 30 FCEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000369752928 489270567 /nfs/dbraw/zinc/27/05/67/489270567.db2.gz LTMABUIMJFLLKH-IEBWSBKVSA-N 2 1 374.529 0.923 20 30 FCEDMP COCC[N@@H+](C)CCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000370377420 489351348 /nfs/dbraw/zinc/35/13/48/489351348.db2.gz REYRQFSUBYMSFY-HNNXBMFYSA-N 2 1 369.510 0.835 20 30 FCEDMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420163323 489937059 /nfs/dbraw/zinc/93/70/59/489937059.db2.gz DKARJNCSNJNQIX-MRXNPFEDSA-N 2 1 371.485 0.707 20 30 FCEDMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420163323 489937061 /nfs/dbraw/zinc/93/70/61/489937061.db2.gz DKARJNCSNJNQIX-MRXNPFEDSA-N 2 1 371.485 0.707 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000557730925 491394317 /nfs/dbraw/zinc/39/43/17/491394317.db2.gz LZKUBQLDPJQUTP-KRWDZBQOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000557730925 491394319 /nfs/dbraw/zinc/39/43/19/491394319.db2.gz LZKUBQLDPJQUTP-KRWDZBQOSA-N 2 1 350.507 0.942 20 30 FCEDMP C[NH+]1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000579465049 491698271 /nfs/dbraw/zinc/69/82/71/491698271.db2.gz IDGHFKLSNAZFJH-KRWDZBQOSA-N 2 1 360.458 0.246 20 30 FCEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3ccc(C#N)c(F)c3)C2)CC1 ZINC000589416063 491761569 /nfs/dbraw/zinc/76/15/69/491761569.db2.gz HSYBTEQMWAWPMO-HNNXBMFYSA-N 2 1 373.432 0.921 20 30 FCEDMP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261688079 526353213 /nfs/dbraw/zinc/35/32/13/526353213.db2.gz RINQGWHPVWRYKY-CQSZACIVSA-N 2 1 357.524 0.060 20 30 FCEDMP C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261688079 526353219 /nfs/dbraw/zinc/35/32/19/526353219.db2.gz RINQGWHPVWRYKY-CQSZACIVSA-N 2 1 357.524 0.060 20 30 FCEDMP C[NH+]=C(NCC[N@@H+](C)C(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261665553 526354784 /nfs/dbraw/zinc/35/47/84/526354784.db2.gz BINWHTJHKAVPFY-QGZVFWFLSA-N 2 1 352.483 0.212 20 30 FCEDMP C[NH+]=C(NCCN1CCOCC1)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000267324236 526357742 /nfs/dbraw/zinc/35/77/42/526357742.db2.gz KSMLBMZVXCYXRT-UHFFFAOYSA-N 2 1 359.518 0.583 20 30 FCEDMP C[NH+]=C(NC[C@H](C)[N@@H+](C)C1CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262604533 526375263 /nfs/dbraw/zinc/37/52/63/526375263.db2.gz ZMNOVUAKZRUAAW-GOEBONIOSA-N 2 1 351.495 0.368 20 30 FCEDMP C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261985874 526377404 /nfs/dbraw/zinc/37/74/04/526377404.db2.gz QCOOCAQROLKANP-BPLDGKMQSA-N 2 1 357.524 0.058 20 30 FCEDMP C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000262431232 526416827 /nfs/dbraw/zinc/41/68/27/526416827.db2.gz SNUQDRLDXBHIGR-BEFAXECRSA-N 2 1 367.538 0.908 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409591006 529099720 /nfs/dbraw/zinc/09/97/20/529099720.db2.gz IBQDJAJNUBRPSU-CVEARBPZSA-N 2 1 359.540 0.671 20 30 FCEDMP CC(C)(C)OC(=O)N1CC[NH+](CCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303905356 674573009 /nfs/dbraw/zinc/57/30/09/674573009.db2.gz ZIGQDSUMPLRNNY-UHFFFAOYSA-N 2 1 355.483 0.576 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000304746982 674582730 /nfs/dbraw/zinc/58/27/30/674582730.db2.gz GCSVAVRICGHWIG-UHFFFAOYSA-N 3 1 353.511 0.258 20 30 FCEDMP C=CCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055538623 676022917 /nfs/dbraw/zinc/02/29/17/676022917.db2.gz HZCVZBKIQYOBKE-NVXWUHKLSA-N 2 1 350.507 0.990 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104305991 1169873390 /nfs/dbraw/zinc/87/33/90/1169873390.db2.gz FEOBQEPWHJYMRK-NUJGCVRESA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC2CC2)C1 ZINC001104305991 1169873391 /nfs/dbraw/zinc/87/33/91/1169873391.db2.gz FEOBQEPWHJYMRK-NUJGCVRESA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001022737469 1171840361 /nfs/dbraw/zinc/84/03/61/1171840361.db2.gz HBIUAIROGQWHFX-XLAORIBOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001022737469 1171840366 /nfs/dbraw/zinc/84/03/66/1171840366.db2.gz HBIUAIROGQWHFX-XLAORIBOSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000972842908 1180887265 /nfs/dbraw/zinc/88/72/65/1180887265.db2.gz XOBUWJHKBOUHBC-ZJPYXAASSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C[C@H]21 ZINC000972842908 1180887266 /nfs/dbraw/zinc/88/72/66/1180887266.db2.gz XOBUWJHKBOUHBC-ZJPYXAASSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]21 ZINC000972842908 1180887270 /nfs/dbraw/zinc/88/72/70/1180887270.db2.gz XOBUWJHKBOUHBC-ZJPYXAASSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]21 ZINC000972842908 1180887273 /nfs/dbraw/zinc/88/72/73/1180887273.db2.gz XOBUWJHKBOUHBC-ZJPYXAASSA-N 2 1 358.486 0.238 20 30 FCEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268748 1183167220 /nfs/dbraw/zinc/16/72/20/1183167220.db2.gz XOPJJPGCUUTKSS-RHSMWYFYSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268748 1183167238 /nfs/dbraw/zinc/16/72/38/1183167238.db2.gz XOPJJPGCUUTKSS-RHSMWYFYSA-N 2 1 362.478 0.436 20 30 FCEDMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@@H+]1CC(=O)NCC#N ZINC001691507750 1188217240 /nfs/dbraw/zinc/21/72/40/1188217240.db2.gz NVEDYGBJEHAEEE-DLBZAZTESA-N 2 1 363.506 0.716 20 30 FCEDMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1CC(=O)NCC#N ZINC001691507750 1188217244 /nfs/dbraw/zinc/21/72/44/1188217244.db2.gz NVEDYGBJEHAEEE-DLBZAZTESA-N 2 1 363.506 0.716 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2CC)C1=O ZINC001087799140 1189828725 /nfs/dbraw/zinc/82/87/25/1189828725.db2.gz FWFRVOZKUAMNAB-BBWFWOEESA-N 2 1 360.502 0.838 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001087998165 1190175093 /nfs/dbraw/zinc/17/50/93/1190175093.db2.gz UNKRWKPVSYCFMN-HBFSDRIKSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001087998165 1190175096 /nfs/dbraw/zinc/17/50/96/1190175096.db2.gz UNKRWKPVSYCFMN-HBFSDRIKSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001087998165 1190175098 /nfs/dbraw/zinc/17/50/98/1190175098.db2.gz UNKRWKPVSYCFMN-HBFSDRIKSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCc3ccnn3C)CC[C@@H]2C1 ZINC001087998165 1190175099 /nfs/dbraw/zinc/17/50/99/1190175099.db2.gz UNKRWKPVSYCFMN-HBFSDRIKSA-N 2 1 369.513 0.841 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)CCC)C[C@@H]3C2)C1=O ZINC001691581943 1193735422 /nfs/dbraw/zinc/73/54/22/1193735422.db2.gz JIFCVNSWNIELQH-SQNIBIBYSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CCC)C[C@@H]3C2)C1=O ZINC001691581943 1193735426 /nfs/dbraw/zinc/73/54/26/1193735426.db2.gz JIFCVNSWNIELQH-SQNIBIBYSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CCC)C[C@@H]3C2)C1=O ZINC001691581943 1193735428 /nfs/dbraw/zinc/73/54/28/1193735428.db2.gz JIFCVNSWNIELQH-SQNIBIBYSA-N 2 1 362.518 0.895 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(CC#Cc3ccc(F)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083472949 1193904689 /nfs/dbraw/zinc/90/46/89/1193904689.db2.gz YXRVWRCCWXTMKW-AXUOBQJMSA-N 2 1 359.445 0.679 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000553329912 1193989107 /nfs/dbraw/zinc/98/91/07/1193989107.db2.gz SSKSSQAILVJVIH-UHFFFAOYSA-N 2 1 366.506 0.058 20 30 FCEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106357868 1197876332 /nfs/dbraw/zinc/87/63/32/1197876332.db2.gz ORUPLSWCKOQZML-BRWVUGGUSA-N 2 1 363.506 0.431 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001086091385 1198158286 /nfs/dbraw/zinc/15/82/86/1198158286.db2.gz VUHRZGZPQRHYMY-IGKNDFSCSA-N 2 1 362.518 0.988 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C2 ZINC001112564004 1200800668 /nfs/dbraw/zinc/80/06/68/1200800668.db2.gz YKVPGBDAFBSASY-ZWOKBUDYSA-N 2 1 362.518 0.849 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129460661 1201327404 /nfs/dbraw/zinc/32/74/04/1201327404.db2.gz MNACOQOPMBAIIT-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129460661 1201327411 /nfs/dbraw/zinc/32/74/11/1201327411.db2.gz MNACOQOPMBAIIT-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910461 1201423100 /nfs/dbraw/zinc/42/31/00/1201423100.db2.gz UQILBKPNTFXISF-IKGGRYGDSA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912371 1201424304 /nfs/dbraw/zinc/42/43/04/1201424304.db2.gz BDKFILDKRVHQGB-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912371 1201424306 /nfs/dbraw/zinc/42/43/06/1201424306.db2.gz BDKFILDKRVHQGB-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)c1 ZINC001130182827 1201535063 /nfs/dbraw/zinc/53/50/63/1201535063.db2.gz XFWFTDYTJVISSU-RHSMWYFYSA-N 2 1 358.442 0.031 20 30 FCEDMP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)c1 ZINC001130182827 1201535067 /nfs/dbraw/zinc/53/50/67/1201535067.db2.gz XFWFTDYTJVISSU-RHSMWYFYSA-N 2 1 358.442 0.031 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC001130220558 1201546070 /nfs/dbraw/zinc/54/60/70/1201546070.db2.gz DGVGQZPTBULSSW-ZNMIVQPWSA-N 2 1 362.478 0.247 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001130307566 1201582583 /nfs/dbraw/zinc/58/25/83/1201582583.db2.gz UOPIVMQTKAFUIK-XLIONFOSSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001147591059 1204800765 /nfs/dbraw/zinc/80/07/65/1204800765.db2.gz VKNZBYPNHYCXRF-YESZJQIVSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147591059 1204800768 /nfs/dbraw/zinc/80/07/68/1204800768.db2.gz VKNZBYPNHYCXRF-YESZJQIVSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147591059 1204800770 /nfs/dbraw/zinc/80/07/70/1204800770.db2.gz VKNZBYPNHYCXRF-YESZJQIVSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cnn(C)c1 ZINC001086988684 1204881912 /nfs/dbraw/zinc/88/19/12/1204881912.db2.gz MCLKXRYIDWKHBY-KTHLUNLYSA-N 2 1 371.485 0.353 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@H](CC)C(N)=O)C[C@@]3(C)C2)CC1 ZINC001092299740 1205233691 /nfs/dbraw/zinc/23/36/91/1205233691.db2.gz FYVQFWXLICBHTR-HLIPFELVSA-N 2 1 360.502 0.376 20 30 FCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001220517170 1224900285 /nfs/dbraw/zinc/90/02/85/1224900285.db2.gz ZHZJQWHHISMHJD-MSOLQXFVSA-N 2 1 363.506 0.966 20 30 FCEDMP N#CC1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC001220643765 1224983577 /nfs/dbraw/zinc/98/35/77/1224983577.db2.gz RZGPFMZXZTZNHA-QGZVFWFLSA-N 2 1 353.470 0.470 20 30 FCEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001188205070 1207434009 /nfs/dbraw/zinc/43/40/09/1207434009.db2.gz BEBQHOZQDLLSMQ-GVDBMIGSSA-N 2 1 361.490 0.422 20 30 FCEDMP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001188205070 1207434011 /nfs/dbraw/zinc/43/40/11/1207434011.db2.gz BEBQHOZQDLLSMQ-GVDBMIGSSA-N 2 1 361.490 0.422 20 30 FCEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001188205070 1207434013 /nfs/dbraw/zinc/43/40/13/1207434013.db2.gz BEBQHOZQDLLSMQ-GVDBMIGSSA-N 2 1 361.490 0.422 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188205070 1207434015 /nfs/dbraw/zinc/43/40/15/1207434015.db2.gz BEBQHOZQDLLSMQ-GVDBMIGSSA-N 2 1 361.490 0.422 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188205070 1207434018 /nfs/dbraw/zinc/43/40/18/1207434018.db2.gz BEBQHOZQDLLSMQ-GVDBMIGSSA-N 2 1 361.490 0.422 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136377 1207511441 /nfs/dbraw/zinc/51/14/41/1207511441.db2.gz WUJVXTUYDRQXMD-YESZJQIVSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136377 1207511444 /nfs/dbraw/zinc/51/14/44/1207511444.db2.gz WUJVXTUYDRQXMD-YESZJQIVSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136377 1207511445 /nfs/dbraw/zinc/51/14/45/1207511445.db2.gz WUJVXTUYDRQXMD-YESZJQIVSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)[C@@H]2C1 ZINC001189136377 1207511447 /nfs/dbraw/zinc/51/14/47/1207511447.db2.gz WUJVXTUYDRQXMD-YESZJQIVSA-N 2 1 360.502 0.389 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001189181753 1207515728 /nfs/dbraw/zinc/51/57/28/1207515728.db2.gz HLZPEFVZDOLTEB-GBESFXJTSA-N 2 1 363.502 0.670 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189530684 1207568299 /nfs/dbraw/zinc/56/82/99/1207568299.db2.gz OYCGXMRWXXGCKV-OKZBNKHCSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001189530684 1207568307 /nfs/dbraw/zinc/56/83/07/1207568307.db2.gz OYCGXMRWXXGCKV-OKZBNKHCSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](OCC)C3CC3)C[C@H]2O)CC1 ZINC001199029374 1208312711 /nfs/dbraw/zinc/31/27/11/1208312711.db2.gz IJSBMTJJZPKYGL-QRVBRYPASA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000884205356 1210722334 /nfs/dbraw/zinc/72/23/34/1210722334.db2.gz UCKXTPRAQAGHGO-IRXDYDNUSA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000884205356 1210722337 /nfs/dbraw/zinc/72/23/37/1210722337.db2.gz UCKXTPRAQAGHGO-IRXDYDNUSA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000884205356 1210722341 /nfs/dbraw/zinc/72/23/41/1210722341.db2.gz UCKXTPRAQAGHGO-IRXDYDNUSA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000884205356 1210722344 /nfs/dbraw/zinc/72/23/44/1210722344.db2.gz UCKXTPRAQAGHGO-IRXDYDNUSA-N 2 1 363.506 0.326 20 30 FCEDMP C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2CC[N@@H+](CC(=O)N(C)C)CC[C@@H]2C1 ZINC001274432888 1211053906 /nfs/dbraw/zinc/05/39/06/1211053906.db2.gz LWCZYRKBHXZYNP-HDICACEKSA-N 2 1 362.518 0.897 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000949865023 1212475151 /nfs/dbraw/zinc/47/51/51/1212475151.db2.gz RAKSVQZHCIUIQN-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000088253142 1213026455 /nfs/dbraw/zinc/02/64/55/1213026455.db2.gz XEUWOTHNZKOREF-OAHLLOKOSA-N 2 1 363.510 0.216 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCNC(=O)[C@@H](C)C#N)CC2)CC[N@H+]1C ZINC001055631451 1215893173 /nfs/dbraw/zinc/89/31/73/1215893173.db2.gz GRZLLAOSOCVCOT-BHYGNILZSA-N 2 1 363.506 0.573 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)C1=O ZINC001001420601 1216194739 /nfs/dbraw/zinc/19/47/39/1216194739.db2.gz NKMLOBKJLLNMEK-NXHRZFHOSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C[C@@H]21 ZINC001222921000 1225667017 /nfs/dbraw/zinc/66/70/17/1225667017.db2.gz BFJRGUXANNGHAA-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)C1 ZINC001069838725 1216805363 /nfs/dbraw/zinc/80/53/63/1216805363.db2.gz GASBOLKTJOIJMJ-BPQIPLTHSA-N 2 1 355.486 0.840 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H](n2ccnn2)C1 ZINC001069955850 1216865578 /nfs/dbraw/zinc/86/55/78/1216865578.db2.gz PYLHCFMPGRVEOX-SJORKVTESA-N 2 1 356.474 0.519 20 30 FCEDMP CC[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1)[NH+](CC)CC ZINC001223489334 1225709682 /nfs/dbraw/zinc/70/96/82/1225709682.db2.gz MRKANXKOVFEHRE-ZACQAIPSSA-N 2 1 363.506 0.669 20 30 FCEDMP CC[C@H](C(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1)[NH+](CC)CC ZINC001223489334 1225709684 /nfs/dbraw/zinc/70/96/84/1225709684.db2.gz MRKANXKOVFEHRE-ZACQAIPSSA-N 2 1 363.506 0.669 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(c3cc(C)[nH+]c(C)n3)C[C@@H]2O)CC1 ZINC001043989559 1217787379 /nfs/dbraw/zinc/78/73/79/1217787379.db2.gz ZVOGMBPZUNXNMD-SJORKVTESA-N 2 1 357.458 0.104 20 30 FCEDMP C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)C1 ZINC001046038091 1217989305 /nfs/dbraw/zinc/98/93/05/1217989305.db2.gz HHSKNNZIXRSNQB-GUDVDZBRSA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038091 1217989309 /nfs/dbraw/zinc/98/93/09/1217989309.db2.gz HHSKNNZIXRSNQB-GUDVDZBRSA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038091 1217989313 /nfs/dbraw/zinc/98/93/13/1217989313.db2.gz HHSKNNZIXRSNQB-GUDVDZBRSA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038091 1217989316 /nfs/dbraw/zinc/98/93/16/1217989316.db2.gz HHSKNNZIXRSNQB-GUDVDZBRSA-N 2 1 364.534 0.890 20 30 FCEDMP C=C(C)CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046038091 1217989317 /nfs/dbraw/zinc/98/93/17/1217989317.db2.gz HHSKNNZIXRSNQB-GUDVDZBRSA-N 2 1 364.534 0.890 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCN(C)C2=O)CC1 ZINC001096605598 1218576367 /nfs/dbraw/zinc/57/63/67/1218576367.db2.gz WHLDECPTJFCTPZ-OWSLCNJRSA-N 2 1 358.486 0.284 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCN(C)C2=O)CC1 ZINC001096605598 1218576380 /nfs/dbraw/zinc/57/63/80/1218576380.db2.gz WHLDECPTJFCTPZ-OWSLCNJRSA-N 2 1 358.486 0.284 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001097779562 1218845228 /nfs/dbraw/zinc/84/52/28/1218845228.db2.gz RKMLQQSHOFBGMP-BDXSIMOUSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001097779562 1218845231 /nfs/dbraw/zinc/84/52/31/1218845231.db2.gz RKMLQQSHOFBGMP-BDXSIMOUSA-N 2 1 360.502 0.837 20 30 FCEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001226766274 1225854174 /nfs/dbraw/zinc/85/41/74/1225854174.db2.gz KNMDEKVIPJFLOC-GVDBMIGSSA-N 2 1 363.506 0.621 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070211718 1219295747 /nfs/dbraw/zinc/29/57/47/1219295747.db2.gz XHYKEWCWKPPNOV-SQNIBIBYSA-N 2 1 356.474 0.517 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC2CC2)[C@@H](n2ccnn2)C1 ZINC001070211718 1219295753 /nfs/dbraw/zinc/29/57/53/1219295753.db2.gz XHYKEWCWKPPNOV-SQNIBIBYSA-N 2 1 356.474 0.517 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070275653 1219343298 /nfs/dbraw/zinc/34/32/98/1219343298.db2.gz YIDZMLKKKYHVOU-RVKKMQEKSA-N 2 1 362.453 0.465 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@@H]1n1ccnn1 ZINC001070309072 1219366961 /nfs/dbraw/zinc/36/69/61/1219366961.db2.gz QKUJGPJJMWSEJZ-KURKYZTESA-N 2 1 358.490 0.907 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001070378465 1219405280 /nfs/dbraw/zinc/40/52/80/1219405280.db2.gz RMAAQVSKURNMMM-VPWXQRGCSA-N 2 1 360.502 0.437 20 30 FCEDMP C=C(C)C[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382646 1219407793 /nfs/dbraw/zinc/40/77/93/1219407793.db2.gz KKMWBNJLTIMHNP-SCTDSRPQSA-N 2 1 362.518 0.990 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1c1cn(C)cn1 ZINC001070525925 1219453360 /nfs/dbraw/zinc/45/33/60/1219453360.db2.gz HNFMZWRKMJOKTC-HHXXYDBFSA-N 2 1 366.469 0.705 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526030 1219453732 /nfs/dbraw/zinc/45/37/32/1219453732.db2.gz MQHLPGBCKOHJAG-JQHSSLGASA-N 2 1 359.474 0.047 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070526030 1219453736 /nfs/dbraw/zinc/45/37/36/1219453736.db2.gz MQHLPGBCKOHJAG-JQHSSLGASA-N 2 1 359.474 0.047 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001228138123 1225896827 /nfs/dbraw/zinc/89/68/27/1225896827.db2.gz OQXGRZSWWVPKNX-KZNAEPCWSA-N 2 1 362.518 0.875 20 30 FCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924839 1219582189 /nfs/dbraw/zinc/58/21/89/1219582189.db2.gz VBAPAMZSNHUQDW-BBWFWOEESA-N 2 1 362.474 0.764 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070924839 1219582191 /nfs/dbraw/zinc/58/21/91/1219582191.db2.gz VBAPAMZSNHUQDW-BBWFWOEESA-N 2 1 362.474 0.764 20 30 FCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001071066891 1219598566 /nfs/dbraw/zinc/59/85/66/1219598566.db2.gz YKNMKFWVGRMWAC-AEFFLSMTSA-N 2 1 360.458 0.969 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2CCC3(CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C3)C2)C1=O ZINC001072751972 1219621423 /nfs/dbraw/zinc/62/14/23/1219621423.db2.gz NQVRBZDJUWPTQP-BRWVUGGUSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC001072751972 1219621426 /nfs/dbraw/zinc/62/14/26/1219621426.db2.gz NQVRBZDJUWPTQP-BRWVUGGUSA-N 2 1 360.502 0.648 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CCC3(CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C3)C2)C1=O ZINC001072751972 1219621429 /nfs/dbraw/zinc/62/14/29/1219621429.db2.gz NQVRBZDJUWPTQP-BRWVUGGUSA-N 2 1 360.502 0.648 20 30 FCEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC001277297085 1225919763 /nfs/dbraw/zinc/91/97/63/1225919763.db2.gz MCZCTDCXYTXZLK-IBGZPJMESA-N 2 1 357.458 0.566 20 30 FCEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC001277297085 1225919768 /nfs/dbraw/zinc/91/97/68/1225919768.db2.gz MCZCTDCXYTXZLK-IBGZPJMESA-N 2 1 357.458 0.566 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C3)CC1 ZINC001099174428 1219940499 /nfs/dbraw/zinc/94/04/99/1219940499.db2.gz LOGJHVJQJWTZHZ-ZWOKBUDYSA-N 2 1 360.502 0.566 20 30 FCEDMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257215 1220250510 /nfs/dbraw/zinc/25/05/10/1220250510.db2.gz KUVJNUBGENEOLG-VKJFTORMSA-N 2 1 367.469 0.086 20 30 FCEDMP CC[NH+](CC)C[C@H](F)C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101257215 1220250516 /nfs/dbraw/zinc/25/05/16/1220250516.db2.gz KUVJNUBGENEOLG-VKJFTORMSA-N 2 1 367.469 0.086 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCOCCOC)C[C@@]2(C)C1 ZINC001101270119 1220258777 /nfs/dbraw/zinc/25/87/77/1220258777.db2.gz BPSBDBYREOKEPF-HBFSDRIKSA-N 2 1 363.502 0.527 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCOCCOC)C[C@@]2(C)C1 ZINC001101270119 1220258781 /nfs/dbraw/zinc/25/87/81/1220258781.db2.gz BPSBDBYREOKEPF-HBFSDRIKSA-N 2 1 363.502 0.527 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCOC)C[C@@]2(C)C1 ZINC001101270119 1220258785 /nfs/dbraw/zinc/25/87/85/1220258785.db2.gz BPSBDBYREOKEPF-HBFSDRIKSA-N 2 1 363.502 0.527 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCOCCOC)C[C@@]2(C)C1 ZINC001101270119 1220258790 /nfs/dbraw/zinc/25/87/90/1220258790.db2.gz BPSBDBYREOKEPF-HBFSDRIKSA-N 2 1 363.502 0.527 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@]2(C)C1 ZINC001101290162 1220269882 /nfs/dbraw/zinc/26/98/82/1220269882.db2.gz ALOLEFJLYLZDAW-APWZRJJASA-N 2 1 358.486 0.145 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461538 1220359354 /nfs/dbraw/zinc/35/93/54/1220359354.db2.gz HVUMXHWWSLAVSR-GMBSWORKSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461538 1220359360 /nfs/dbraw/zinc/35/93/60/1220359360.db2.gz HVUMXHWWSLAVSR-GMBSWORKSA-N 2 1 359.474 0.663 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](C)C1 ZINC001102078858 1220489320 /nfs/dbraw/zinc/48/93/20/1220489320.db2.gz MFPADDBNANMJAY-IAGOWNOFSA-N 2 1 360.502 0.296 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102147864 1220524239 /nfs/dbraw/zinc/52/42/39/1220524239.db2.gz QEGKPVFBLADRIT-HLLBOEOZSA-N 2 1 367.453 0.770 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)C1=O ZINC001102156436 1220527322 /nfs/dbraw/zinc/52/73/22/1220527322.db2.gz UJYLIZVTRLONSL-DJIMGWMZSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)Cn3c[nH+]cc3C)[C@H](C)C2)C1=O ZINC001102156436 1220527325 /nfs/dbraw/zinc/52/73/25/1220527325.db2.gz UJYLIZVTRLONSL-DJIMGWMZSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](C)C1 ZINC001102185445 1220541221 /nfs/dbraw/zinc/54/12/21/1220541221.db2.gz CGQLFDQHJMSMNK-SZVBFZGTSA-N 2 1 362.518 0.847 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)[C@H](C)C1 ZINC001102264266 1220566137 /nfs/dbraw/zinc/56/61/37/1220566137.db2.gz CGURIHZELDNBGH-KZNAEPCWSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264266 1220566144 /nfs/dbraw/zinc/56/61/44/1220566144.db2.gz CGURIHZELDNBGH-KZNAEPCWSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+](CCC)C2)[C@H](C)C1 ZINC001102264266 1220566153 /nfs/dbraw/zinc/56/61/53/1220566153.db2.gz CGURIHZELDNBGH-KZNAEPCWSA-N 2 1 362.518 0.542 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)COC[C@H](C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102384796 1220603495 /nfs/dbraw/zinc/60/34/95/1220603495.db2.gz BZSMNCRBYPKYSR-CEXWTWQISA-N 2 1 365.518 0.821 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102427465 1220622203 /nfs/dbraw/zinc/62/22/03/1220622203.db2.gz VNXVJHKYRZGIBQ-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427465 1220622205 /nfs/dbraw/zinc/62/22/05/1220622205.db2.gz VNXVJHKYRZGIBQ-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427465 1220622210 /nfs/dbraw/zinc/62/22/10/1220622210.db2.gz VNXVJHKYRZGIBQ-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001102479841 1220647102 /nfs/dbraw/zinc/64/71/02/1220647102.db2.gz KXBVABPSZGNOEO-KZNAEPCWSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515253 1220674749 /nfs/dbraw/zinc/67/47/49/1220674749.db2.gz KQIPNXCJVWOEAP-OWCLPIDISA-N 2 1 371.485 0.583 20 30 FCEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102976892 1220815179 /nfs/dbraw/zinc/81/51/79/1220815179.db2.gz BOEXETHRHHMQFG-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102976892 1220815180 /nfs/dbraw/zinc/81/51/80/1220815180.db2.gz BOEXETHRHHMQFG-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102976892 1220815181 /nfs/dbraw/zinc/81/51/81/1220815181.db2.gz BOEXETHRHHMQFG-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085258 1220831117 /nfs/dbraw/zinc/83/11/17/1220831117.db2.gz NWRKXBYIMJYHEL-BRWVUGGUSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103137086 1220839124 /nfs/dbraw/zinc/83/91/24/1220839124.db2.gz WIKMMXUXAASSPS-QBPKDAKJSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001103137086 1220839126 /nfs/dbraw/zinc/83/91/26/1220839126.db2.gz WIKMMXUXAASSPS-QBPKDAKJSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001103137086 1220839127 /nfs/dbraw/zinc/83/91/27/1220839127.db2.gz WIKMMXUXAASSPS-QBPKDAKJSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001103137086 1220839128 /nfs/dbraw/zinc/83/91/28/1220839128.db2.gz WIKMMXUXAASSPS-QBPKDAKJSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103396888 1220877385 /nfs/dbraw/zinc/87/73/85/1220877385.db2.gz OJMDWLVIKIGDGV-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP CC[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](CC)CC ZINC001103426886 1220880223 /nfs/dbraw/zinc/88/02/23/1220880223.db2.gz RSSKXBVDCXABDF-BRWVUGGUSA-N 2 1 365.522 0.821 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001111782817 1221105667 /nfs/dbraw/zinc/10/56/67/1221105667.db2.gz ZICBNOSVKBVASP-ZWOKBUDYSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782817 1221105669 /nfs/dbraw/zinc/10/56/69/1221105669.db2.gz ZICBNOSVKBVASP-ZWOKBUDYSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001111782817 1221105672 /nfs/dbraw/zinc/10/56/72/1221105672.db2.gz ZICBNOSVKBVASP-ZWOKBUDYSA-N 2 1 360.502 0.581 20 30 FCEDMP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C2 ZINC001112423848 1221256853 /nfs/dbraw/zinc/25/68/53/1221256853.db2.gz ICWLLRZBIJCKOP-RMJJICAUSA-N 2 1 363.502 0.574 20 30 FCEDMP COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C2 ZINC001112423848 1221256855 /nfs/dbraw/zinc/25/68/55/1221256855.db2.gz ICWLLRZBIJCKOP-RMJJICAUSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCCC1 ZINC001115544836 1221313048 /nfs/dbraw/zinc/31/30/48/1221313048.db2.gz DKMRQBURMJGBIE-DLBZAZTESA-N 2 1 362.518 0.875 20 30 FCEDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@H]([NH3+])CCCC#N)CC2)cc1 ZINC000829500654 1222439555 /nfs/dbraw/zinc/43/95/55/1222439555.db2.gz OYKAOBGMOAKQGZ-GOSISDBHSA-N 2 1 359.474 0.955 20 30 FCEDMP C=CCN1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN)CC1 ZINC001160437004 1223159631 /nfs/dbraw/zinc/15/96/31/1223159631.db2.gz PVJQMFXEZTXRFN-SFHVURJKSA-N 2 1 369.469 0.484 20 30 FCEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)(COC)CC1 ZINC001162283414 1223212631 /nfs/dbraw/zinc/21/26/31/1223212631.db2.gz ZJLCXYMNWHUESR-QZTJIDSGSA-N 2 1 365.518 0.821 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128591 1223518207 /nfs/dbraw/zinc/51/82/07/1223518207.db2.gz BFMCXHXSFNWTOW-SJLPKXTDSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001208128591 1223518212 /nfs/dbraw/zinc/51/82/12/1223518212.db2.gz BFMCXHXSFNWTOW-SJLPKXTDSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001208128591 1223518213 /nfs/dbraw/zinc/51/82/13/1223518213.db2.gz BFMCXHXSFNWTOW-SJLPKXTDSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001208128591 1223518219 /nfs/dbraw/zinc/51/82/19/1223518219.db2.gz BFMCXHXSFNWTOW-SJLPKXTDSA-N 2 1 362.518 0.827 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425349 1223543016 /nfs/dbraw/zinc/54/30/16/1223543016.db2.gz DMHCNWJDKLEFTM-HZPDHXFCSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425349 1223543024 /nfs/dbraw/zinc/54/30/24/1223543024.db2.gz DMHCNWJDKLEFTM-HZPDHXFCSA-N 2 1 363.506 0.527 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208706906 1223571749 /nfs/dbraw/zinc/57/17/49/1223571749.db2.gz FGCJGXQLCCPUGE-BRWVUGGUSA-N 2 1 366.506 0.226 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001208706906 1223571756 /nfs/dbraw/zinc/57/17/56/1223571756.db2.gz FGCJGXQLCCPUGE-BRWVUGGUSA-N 2 1 366.506 0.226 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC(C)C)C[C@H]2OC)CC1 ZINC001213914847 1223871265 /nfs/dbraw/zinc/87/12/65/1223871265.db2.gz ZVTPDAAYULJWFV-RTBURBONSA-N 2 1 365.518 0.820 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@H]2OC)CC1 ZINC001213920434 1223872836 /nfs/dbraw/zinc/87/28/36/1223872836.db2.gz ZBMRWGRMXWXFCG-RTBURBONSA-N 2 1 363.502 0.574 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214849966 1223948110 /nfs/dbraw/zinc/94/81/10/1223948110.db2.gz LWZQBFVMLDHOTC-BHIYHBOVSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855945 1223948357 /nfs/dbraw/zinc/94/83/57/1223948357.db2.gz SACVCJXLRJWCNH-KBAYOESNSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001214880840 1223951731 /nfs/dbraw/zinc/95/17/31/1223951731.db2.gz WUCORCNQZXDGGQ-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCN2CCCC2=O)C1 ZINC001214880840 1223951733 /nfs/dbraw/zinc/95/17/33/1223951733.db2.gz WUCORCNQZXDGGQ-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)C2CC2)C1 ZINC001214880727 1223951895 /nfs/dbraw/zinc/95/18/95/1223951895.db2.gz RLNSMTGXZOMZAY-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)C2CC2)C1 ZINC001214880727 1223951897 /nfs/dbraw/zinc/95/18/97/1223951897.db2.gz RLNSMTGXZOMZAY-NXHRZFHOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC000938096130 1245819936 /nfs/dbraw/zinc/81/99/36/1245819936.db2.gz VYNBIEORGUCRKT-BPQIPLTHSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000994204707 1250283404 /nfs/dbraw/zinc/28/34/04/1250283404.db2.gz WEYCOGFFHKHMBI-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000994204707 1250283413 /nfs/dbraw/zinc/28/34/13/1250283413.db2.gz WEYCOGFFHKHMBI-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP CC#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999987500 1252259460 /nfs/dbraw/zinc/25/94/60/1252259460.db2.gz OTUISXMTIYGSGH-FGTMMUONSA-N 2 1 358.490 0.895 20 30 FCEDMP CC#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999987500 1252259469 /nfs/dbraw/zinc/25/94/69/1252259469.db2.gz OTUISXMTIYGSGH-FGTMMUONSA-N 2 1 358.490 0.895 20 30 FCEDMP CC#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999987500 1252259479 /nfs/dbraw/zinc/25/94/79/1252259479.db2.gz OTUISXMTIYGSGH-FGTMMUONSA-N 2 1 358.490 0.895 20 30 FCEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994315 1252266230 /nfs/dbraw/zinc/26/62/30/1252266230.db2.gz WWWGKLDDRPULEU-HYVNUMGLSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994315 1252266240 /nfs/dbraw/zinc/26/62/40/1252266240.db2.gz WWWGKLDDRPULEU-HYVNUMGLSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994315 1252266247 /nfs/dbraw/zinc/26/62/47/1252266247.db2.gz WWWGKLDDRPULEU-HYVNUMGLSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)nn2)C1 ZINC000999994315 1252266260 /nfs/dbraw/zinc/26/62/60/1252266260.db2.gz WWWGKLDDRPULEU-HYVNUMGLSA-N 2 1 362.478 0.436 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)CC1 ZINC001002802774 1252682824 /nfs/dbraw/zinc/68/28/24/1252682824.db2.gz LRTFSDQRLVQFDH-MANSERQUSA-N 2 1 372.513 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001002823310 1252688618 /nfs/dbraw/zinc/68/86/18/1252688618.db2.gz GXKQOSLRWNBQJM-BDXSIMOUSA-N 2 1 358.486 0.428 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001002823310 1252688622 /nfs/dbraw/zinc/68/86/22/1252688622.db2.gz GXKQOSLRWNBQJM-BDXSIMOUSA-N 2 1 358.486 0.428 20 30 FCEDMP C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001518955649 1265691859 /nfs/dbraw/zinc/69/18/59/1265691859.db2.gz ULPRRFKLOVIVHC-QFBILLFUSA-N 2 1 355.486 0.837 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001003749180 1253090423 /nfs/dbraw/zinc/09/04/23/1253090423.db2.gz NFBJIQYVVALLRL-YRXWBPOGSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001003749180 1253090432 /nfs/dbraw/zinc/09/04/32/1253090432.db2.gz NFBJIQYVVALLRL-YRXWBPOGSA-N 2 1 372.513 0.674 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001077778671 1254981353 /nfs/dbraw/zinc/98/13/53/1254981353.db2.gz WBNTVXCAQDCKAV-RTBURBONSA-N 2 1 356.470 0.951 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC1 ZINC001077778671 1254981364 /nfs/dbraw/zinc/98/13/64/1254981364.db2.gz WBNTVXCAQDCKAV-RTBURBONSA-N 2 1 356.470 0.951 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001080037643 1255720247 /nfs/dbraw/zinc/72/02/47/1255720247.db2.gz PRWXTFVCOAJVJZ-ZACQAIPSSA-N 2 1 360.502 0.838 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)C1=O ZINC001080037643 1255720254 /nfs/dbraw/zinc/72/02/54/1255720254.db2.gz PRWXTFVCOAJVJZ-ZACQAIPSSA-N 2 1 360.502 0.838 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCc4ncnn43)C[C@H]2C)CC1 ZINC001080997619 1256131434 /nfs/dbraw/zinc/13/14/34/1256131434.db2.gz HBTADGNSVRSGCI-BPQIPLTHSA-N 2 1 370.501 0.547 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@H](C)c3nnnn3C)C2)CC1 ZINC001082941486 1257159515 /nfs/dbraw/zinc/15/95/15/1257159515.db2.gz SJFIPSZMXUQMNI-IIAWOOMASA-N 2 1 359.478 0.053 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@@H]2O)CC1 ZINC001084089644 1257914069 /nfs/dbraw/zinc/91/40/69/1257914069.db2.gz UJZHONCBOSBAAY-UXHICEINSA-N 2 1 371.481 0.702 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(OC)cc3)C[C@@H]2O)CC1 ZINC001084089644 1257914075 /nfs/dbraw/zinc/91/40/75/1257914075.db2.gz UJZHONCBOSBAAY-UXHICEINSA-N 2 1 371.481 0.702 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCn4cncn4)C[C@H]32)CC1 ZINC001084851090 1258399247 /nfs/dbraw/zinc/39/92/47/1258399247.db2.gz MLYLDYCFUPVABH-QZTJIDSGSA-N 2 1 356.474 0.156 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106983241 1259010527 /nfs/dbraw/zinc/01/05/27/1259010527.db2.gz WPRSMCNYTYKLPP-BRWVUGGUSA-N 2 1 363.506 0.384 20 30 FCEDMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC#N)CC3)C1 ZINC001107546508 1259112664 /nfs/dbraw/zinc/11/26/64/1259112664.db2.gz FSRCZODCYYGKKM-GPMSIDNRSA-N 2 1 361.490 0.329 20 30 FCEDMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C1 ZINC001107546508 1259112669 /nfs/dbraw/zinc/11/26/69/1259112669.db2.gz FSRCZODCYYGKKM-GPMSIDNRSA-N 2 1 361.490 0.329 20 30 FCEDMP C[C@@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)C1 ZINC001107546508 1259112673 /nfs/dbraw/zinc/11/26/73/1259112673.db2.gz FSRCZODCYYGKKM-GPMSIDNRSA-N 2 1 361.490 0.329 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634288 1259140720 /nfs/dbraw/zinc/14/07/20/1259140720.db2.gz TWTPAAIOKCNROX-VQIMIIECSA-N 2 1 357.458 0.302 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634288 1259140724 /nfs/dbraw/zinc/14/07/24/1259140724.db2.gz TWTPAAIOKCNROX-VQIMIIECSA-N 2 1 357.458 0.302 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001130251211 1259376814 /nfs/dbraw/zinc/37/68/14/1259376814.db2.gz IIDILLNHOBAEPT-GJZGRUSLSA-N 2 1 362.478 0.247 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)C(C)C)[nH]1 ZINC001130251211 1259376820 /nfs/dbraw/zinc/37/68/20/1259376820.db2.gz IIDILLNHOBAEPT-GJZGRUSLSA-N 2 1 362.478 0.247 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)C(C)C)[nH]1 ZINC001130251211 1259376826 /nfs/dbraw/zinc/37/68/26/1259376826.db2.gz IIDILLNHOBAEPT-GJZGRUSLSA-N 2 1 362.478 0.247 20 30 FCEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252463125 1259790729 /nfs/dbraw/zinc/79/07/29/1259790729.db2.gz MKJFNIGCMMLFGG-KRWDZBQOSA-N 2 1 369.506 0.053 20 30 FCEDMP C=CCOC[C@@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252463125 1259790737 /nfs/dbraw/zinc/79/07/37/1259790737.db2.gz MKJFNIGCMMLFGG-KRWDZBQOSA-N 2 1 369.506 0.053 20 30 FCEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001336795653 1260224314 /nfs/dbraw/zinc/22/43/14/1260224314.db2.gz XHOURWZPPKIBKG-QFBILLFUSA-N 2 1 350.459 0.820 20 30 FCEDMP C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c(OC)c1 ZINC001336795653 1260224322 /nfs/dbraw/zinc/22/43/22/1260224322.db2.gz XHOURWZPPKIBKG-QFBILLFUSA-N 2 1 350.459 0.820 20 30 FCEDMP C=CCNC(=[NH+]CC1(O)CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001337621136 1260442136 /nfs/dbraw/zinc/44/21/36/1260442136.db2.gz FDFSXVCWUBRKBC-KRWDZBQOSA-N 2 1 366.506 0.314 20 30 FCEDMP C=CCNC(=[NH+]CC1(O)CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001337621138 1260442658 /nfs/dbraw/zinc/44/26/58/1260442658.db2.gz FDFSXVCWUBRKBC-QGZVFWFLSA-N 2 1 366.506 0.314 20 30 FCEDMP COCCOC[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCCCC#N)CC3)[C@H]2C1 ZINC001280186173 1261024711 /nfs/dbraw/zinc/02/47/11/1261024711.db2.gz OXCHXFIRBBSOJC-IRXDYDNUSA-N 2 1 364.490 0.813 20 30 FCEDMP C[C@H]1CCC[N@@H+](CCn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001576710227 1273579110 /nfs/dbraw/zinc/57/91/10/1273579110.db2.gz YZVOHLPENDSFNV-MWDXBVQZSA-N 2 1 373.505 0.943 20 30 FCEDMP COC(=O)[C@@H]([NH2+]CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C(C)C ZINC001578830117 1276341712 /nfs/dbraw/zinc/34/17/12/1276341712.db2.gz YWQMRNONAFDJFH-DIODGJHASA-N 2 1 350.463 0.419 20 30 FCEDMP COCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH3+])CC1 ZINC001579039655 1276627579 /nfs/dbraw/zinc/62/75/79/1276627579.db2.gz XGSTWQLWKGNVCK-UHFFFAOYSA-N 2 1 369.473 0.934 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001588351382 1282447378 /nfs/dbraw/zinc/44/73/78/1282447378.db2.gz QZMVFOZBMUMPOI-YOEHRIQHSA-N 2 1 367.457 0.559 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001588351382 1282447380 /nfs/dbraw/zinc/44/73/80/1282447380.db2.gz QZMVFOZBMUMPOI-YOEHRIQHSA-N 2 1 367.457 0.559 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@@H]2C1 ZINC001692084748 1289391313 /nfs/dbraw/zinc/39/13/13/1289391313.db2.gz KMHKTSOJYGGVJY-OTWHNJEPSA-N 2 1 363.502 0.385 20 30 FCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692086759 1289395627 /nfs/dbraw/zinc/39/56/27/1289395627.db2.gz MBKZJYDKRUGDQS-IKGGRYGDSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692086759 1289395636 /nfs/dbraw/zinc/39/56/36/1289395636.db2.gz MBKZJYDKRUGDQS-IKGGRYGDSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692086759 1289395646 /nfs/dbraw/zinc/39/56/46/1289395646.db2.gz MBKZJYDKRUGDQS-IKGGRYGDSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001692086759 1289395655 /nfs/dbraw/zinc/39/56/55/1289395655.db2.gz MBKZJYDKRUGDQS-IKGGRYGDSA-N 2 1 361.490 0.281 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001692318685 1289446940 /nfs/dbraw/zinc/44/69/40/1289446940.db2.gz GJYFZBXLMBAGPK-FGTMMUONSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001699875188 1289570008 /nfs/dbraw/zinc/57/00/08/1289570008.db2.gz SLUNDQJZOZOQRZ-QKLQHJQFSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001699875188 1289570013 /nfs/dbraw/zinc/57/00/13/1289570013.db2.gz SLUNDQJZOZOQRZ-QKLQHJQFSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001699875188 1289570019 /nfs/dbraw/zinc/57/00/19/1289570019.db2.gz SLUNDQJZOZOQRZ-QKLQHJQFSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001699875188 1289570025 /nfs/dbraw/zinc/57/00/25/1289570025.db2.gz SLUNDQJZOZOQRZ-QKLQHJQFSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001689232903 1294694482 /nfs/dbraw/zinc/69/44/82/1294694482.db2.gz ZCPGYEIFDYYDOU-MSOLQXFVSA-N 2 1 360.502 0.248 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070273800 837642479 /nfs/dbraw/zinc/64/24/79/837642479.db2.gz HNZIQIQBQPFUNL-ZNMIVQPWSA-N 2 1 352.870 0.856 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070273800 837642480 /nfs/dbraw/zinc/64/24/80/837642480.db2.gz HNZIQIQBQPFUNL-ZNMIVQPWSA-N 2 1 352.870 0.856 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312950 844464424 /nfs/dbraw/zinc/46/44/24/844464424.db2.gz WDVGFUNUIZTRQC-HLLBOEOZSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)[C@H](C)C1 ZINC001102600118 844590582 /nfs/dbraw/zinc/59/05/82/844590582.db2.gz NDTFIAOQJIZIOQ-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600118 844590589 /nfs/dbraw/zinc/59/05/89/844590589.db2.gz NDTFIAOQJIZIOQ-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)[C@H](C)C1 ZINC001102600118 844590593 /nfs/dbraw/zinc/59/05/93/844590593.db2.gz NDTFIAOQJIZIOQ-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469741 841041724 /nfs/dbraw/zinc/04/17/24/841041724.db2.gz HDPCHJUATBKMLP-BDXSIMOUSA-N 2 1 351.491 0.471 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001099263425 843995378 /nfs/dbraw/zinc/99/53/78/843995378.db2.gz SJJWZAQADQIOND-MGPQQGTHSA-N 2 1 359.396 0.978 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001103086934 844699329 /nfs/dbraw/zinc/69/93/29/844699329.db2.gz XXUTXNHODZWECG-KYJSFNMBSA-N 2 1 350.507 0.703 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](CC)CC)C1 ZINC001103550566 844778668 /nfs/dbraw/zinc/77/86/68/844778668.db2.gz WZCSKFUJGHERRN-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC#CCOC)C[C@H]2C)C1 ZINC001103740713 844813528 /nfs/dbraw/zinc/81/35/28/844813528.db2.gz ROFVQAMXGKVAAV-KZNAEPCWSA-N 2 1 351.491 0.431 20 30 FCEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC[C@@H]2C[NH+](CC#CCOC)C[C@H]2C)C1 ZINC001103740713 844813530 /nfs/dbraw/zinc/81/35/30/844813530.db2.gz ROFVQAMXGKVAAV-KZNAEPCWSA-N 2 1 351.491 0.431 20 30 FCEDMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC#CCOC)C[C@H]2C)C1 ZINC001103740713 844813533 /nfs/dbraw/zinc/81/35/33/844813533.db2.gz ROFVQAMXGKVAAV-KZNAEPCWSA-N 2 1 351.491 0.431 20 30 FCEDMP CC[NH+]1CCO[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC#CCOC)C[C@H]2C)C1 ZINC001103740713 844813535 /nfs/dbraw/zinc/81/35/35/844813535.db2.gz ROFVQAMXGKVAAV-KZNAEPCWSA-N 2 1 351.491 0.431 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C1 ZINC001104305982 844892422 /nfs/dbraw/zinc/89/24/22/844892422.db2.gz DLVPIRMFHXTBDU-TVFCKZIOSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@@H](O)COC)C1 ZINC001104305982 844892424 /nfs/dbraw/zinc/89/24/24/844892424.db2.gz DLVPIRMFHXTBDU-TVFCKZIOSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106266336 845145332 /nfs/dbraw/zinc/14/53/32/845145332.db2.gz DGDYQAMQPJSNTP-ZACQAIPSSA-N 2 1 369.531 0.203 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCCS(C)(=O)=O)[C@H](C)C1 ZINC001106266336 845145339 /nfs/dbraw/zinc/14/53/39/845145339.db2.gz DGDYQAMQPJSNTP-ZACQAIPSSA-N 2 1 369.531 0.203 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001106581449 845200063 /nfs/dbraw/zinc/20/00/63/845200063.db2.gz DBOJULVDOPVBRN-LTIDMASMSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C)C1=O ZINC001106839445 845266188 /nfs/dbraw/zinc/26/61/88/845266188.db2.gz IQUWVSMGYYFICQ-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036513 845315706 /nfs/dbraw/zinc/31/57/06/845315706.db2.gz MZZUNUNZRNSTMV-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CC)C1 ZINC001111925803 846262399 /nfs/dbraw/zinc/26/23/99/846262399.db2.gz KMPYNZTUBKWXMY-BXWFABGCSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111925803 846262413 /nfs/dbraw/zinc/26/24/13/846262413.db2.gz KMPYNZTUBKWXMY-BXWFABGCSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)CC)C1 ZINC001111925803 846262419 /nfs/dbraw/zinc/26/24/19/846262419.db2.gz KMPYNZTUBKWXMY-BXWFABGCSA-N 2 1 350.507 0.990 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029861 848797407 /nfs/dbraw/zinc/79/74/07/848797407.db2.gz NENLVFTZGNPVPP-OAGGEKHMSA-N 2 1 350.442 0.323 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029861 848797411 /nfs/dbraw/zinc/79/74/11/848797411.db2.gz NENLVFTZGNPVPP-OAGGEKHMSA-N 2 1 350.442 0.323 20 30 FCEDMP C=CCCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131361963 849096882 /nfs/dbraw/zinc/09/68/82/849096882.db2.gz IIIYFDZGLZUHMJ-IAGOWNOFSA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361963 849096889 /nfs/dbraw/zinc/09/68/89/849096889.db2.gz IIIYFDZGLZUHMJ-IAGOWNOFSA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001131361963 849096901 /nfs/dbraw/zinc/09/69/01/849096901.db2.gz IIIYFDZGLZUHMJ-IAGOWNOFSA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCOC[C@H]1CCC[C@@]12CN(C(=O)C[NH2+]C1CC[NH2+]CC1)CCO2 ZINC001160240653 850161376 /nfs/dbraw/zinc/16/13/76/850161376.db2.gz WFJODUPOKUTXLD-VQIMIIECSA-N 2 1 351.491 0.928 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208739699 853970937 /nfs/dbraw/zinc/97/09/37/853970937.db2.gz WIWIWPFHYFXXLW-FGTMMUONSA-N 2 1 351.491 0.574 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208739699 853970940 /nfs/dbraw/zinc/97/09/40/853970940.db2.gz WIWIWPFHYFXXLW-FGTMMUONSA-N 2 1 351.491 0.574 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301460 854174714 /nfs/dbraw/zinc/17/47/14/854174714.db2.gz XTYGJXLTKOPQFU-BRWVUGGUSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001211301460 854174716 /nfs/dbraw/zinc/17/47/16/854174716.db2.gz XTYGJXLTKOPQFU-BRWVUGGUSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213794 854535855 /nfs/dbraw/zinc/53/58/55/854535855.db2.gz RYDDFVVXHPCYJE-KZNAEPCWSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213213794 854535860 /nfs/dbraw/zinc/53/58/60/854535860.db2.gz RYDDFVVXHPCYJE-KZNAEPCWSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033590 855518696 /nfs/dbraw/zinc/51/86/96/855518696.db2.gz QRUYHYSFBGJUQA-OKZBNKHCSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001219033590 855518701 /nfs/dbraw/zinc/51/87/01/855518701.db2.gz QRUYHYSFBGJUQA-OKZBNKHCSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796754 855817274 /nfs/dbraw/zinc/81/72/74/855817274.db2.gz OSJMCPRZTKRMPW-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@@H](O)C1 ZINC001219796754 855817280 /nfs/dbraw/zinc/81/72/80/855817280.db2.gz OSJMCPRZTKRMPW-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796754 855817285 /nfs/dbraw/zinc/81/72/85/855817285.db2.gz OSJMCPRZTKRMPW-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[C@@H](O)C1 ZINC001219796754 855817291 /nfs/dbraw/zinc/81/72/91/855817291.db2.gz OSJMCPRZTKRMPW-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235455804 857424051 /nfs/dbraw/zinc/42/40/51/857424051.db2.gz YZJRPTVHJQQQOF-LPHOPBHVSA-N 2 1 350.507 0.894 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235455804 857424053 /nfs/dbraw/zinc/42/40/53/857424053.db2.gz YZJRPTVHJQQQOF-LPHOPBHVSA-N 2 1 350.507 0.894 20 30 FCEDMP Cn1cc(C[N@H+]2[C@@H]3CC[C@H]2CN(C(=S)NCC[NH+](C)C)C3)cc1C#N ZINC001279975969 863161788 /nfs/dbraw/zinc/16/17/88/863161788.db2.gz VIDAEGULYZBDLO-IYBDPMFKSA-N 2 1 360.531 0.981 20 30 FCEDMP Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CN(C(=S)NCC[NH+](C)C)C3)cc1C#N ZINC001279975969 863161792 /nfs/dbraw/zinc/16/17/92/863161792.db2.gz VIDAEGULYZBDLO-IYBDPMFKSA-N 2 1 360.531 0.981 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000481295896 250330503 /nfs/dbraw/zinc/33/05/03/250330503.db2.gz OLQYITBWBSBLKA-HOTGVXAUSA-N 2 1 350.507 0.990 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)Nc1ccc(F)c(F)c1F ZINC000264093203 229320834 /nfs/dbraw/zinc/32/08/34/229320834.db2.gz LHVNPIDVEQZETE-UHFFFAOYSA-N 2 1 373.379 0.669 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccccc1CN1CCCC1=O ZINC000264098593 229323639 /nfs/dbraw/zinc/32/36/39/229323639.db2.gz NFEPDUOEOOVVAY-UHFFFAOYSA-N 2 1 373.501 0.936 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000264103943 229323737 /nfs/dbraw/zinc/32/37/37/229323737.db2.gz OWUBGHZQCVXQJM-INIZCTEOSA-N 2 1 352.454 0.603 20 30 FCEDMP COc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc(OC)c1OC ZINC000264084448 533711586 /nfs/dbraw/zinc/71/15/86/533711586.db2.gz JLTQLRAUOVXHHY-UHFFFAOYSA-N 2 1 366.462 0.839 20 30 FCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(c2cccs2)CC1 ZINC000261845708 488537901 /nfs/dbraw/zinc/53/79/01/488537901.db2.gz XFGCXONUMMEQAG-OAHLLOKOSA-N 2 1 350.536 0.691 20 30 FCEDMP N#CC1(CS(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000274198434 488689788 /nfs/dbraw/zinc/68/97/88/488689788.db2.gz HPAFQIBAXUUWGU-UHFFFAOYSA-N 2 1 363.487 0.817 20 30 FCEDMP O=C(NC[C@H]1CCc2[nH+]ccn2C1)Nc1ccn(CCN2CCOCC2)n1 ZINC000329815442 489038994 /nfs/dbraw/zinc/03/89/94/489038994.db2.gz DLTLTPMSBTWXLJ-OAHLLOKOSA-N 2 1 373.461 1.000 20 30 FCEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507427992 490221469 /nfs/dbraw/zinc/22/14/69/490221469.db2.gz YVCXQCMTMKIWQH-DNVCBOLYSA-N 2 1 365.522 0.819 20 30 FCEDMP N#Cc1ccc(OC[C@H](O)C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000564848377 491331390 /nfs/dbraw/zinc/33/13/90/491331390.db2.gz VSQBYIIBDZXWIJ-DLBZAZTESA-N 2 1 360.458 0.475 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000572364150 491365093 /nfs/dbraw/zinc/36/50/93/491365093.db2.gz VSMDZYUIVZPZBF-AQNXPRMDSA-N 2 1 360.502 0.665 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000572364150 491365095 /nfs/dbraw/zinc/36/50/95/491365095.db2.gz VSMDZYUIVZPZBF-AQNXPRMDSA-N 2 1 360.502 0.665 20 30 FCEDMP O=C1CC[C@@H]2C[NH+](CC#CC[N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@@H]2N1 ZINC000661602096 493451228 /nfs/dbraw/zinc/45/12/28/493451228.db2.gz PYGJQZCJOSLONC-MHORFTMASA-N 2 1 358.486 0.191 20 30 FCEDMP O=C1CC[C@@H]2C[N@H+](CC#CC[NH+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@@H]2N1 ZINC000661602096 493451231 /nfs/dbraw/zinc/45/12/31/493451231.db2.gz PYGJQZCJOSLONC-MHORFTMASA-N 2 1 358.486 0.191 20 30 FCEDMP O=C1CC[C@@H]2C[N@@H+](CC#CC[NH+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@@H]2N1 ZINC000661602096 493451234 /nfs/dbraw/zinc/45/12/34/493451234.db2.gz PYGJQZCJOSLONC-MHORFTMASA-N 2 1 358.486 0.191 20 30 FCEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262806978 526346084 /nfs/dbraw/zinc/34/60/84/526346084.db2.gz QFGQAYICNYIXRK-QGZVFWFLSA-N 2 1 355.486 0.973 20 30 FCEDMP C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262806978 526346088 /nfs/dbraw/zinc/34/60/88/526346088.db2.gz QFGQAYICNYIXRK-QGZVFWFLSA-N 2 1 355.486 0.973 20 30 FCEDMP CNC(=O)CC1CCN(C(NCCN2CCC[N@@H+](C)CC2)=[NH+]C)CC1 ZINC000261817925 526356747 /nfs/dbraw/zinc/35/67/47/526356747.db2.gz UDACQIMGNODNRQ-UHFFFAOYSA-N 2 1 352.527 0.047 20 30 FCEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000262812114 526373975 /nfs/dbraw/zinc/37/39/75/526373975.db2.gz USDGCULIVDXMAH-GOSISDBHSA-N 2 1 362.497 0.769 20 30 FCEDMP C[NH+]=C(NCc1cnc(N(C)C)n1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261843868 526389146 /nfs/dbraw/zinc/38/91/46/526389146.db2.gz WONXEIHHZMYZLZ-HNNXBMFYSA-N 2 1 363.510 0.216 20 30 FCEDMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419949329 536449158 /nfs/dbraw/zinc/44/91/58/536449158.db2.gz KZAVRYRAFJXUQG-MRXNPFEDSA-N 2 1 371.485 0.564 20 30 FCEDMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419949329 536449161 /nfs/dbraw/zinc/44/91/61/536449161.db2.gz KZAVRYRAFJXUQG-MRXNPFEDSA-N 2 1 371.485 0.564 20 30 FCEDMP CC(=O)Nc1cccc(OCCNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264327579 527072478 /nfs/dbraw/zinc/07/24/78/527072478.db2.gz ZGIUSJRRDXJFGN-UHFFFAOYSA-N 2 1 363.462 0.650 20 30 FCEDMP CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261638767 528805447 /nfs/dbraw/zinc/80/54/47/528805447.db2.gz KOARIEJWISUZSD-HNNXBMFYSA-N 2 1 371.551 0.450 20 30 FCEDMP CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261638767 528805450 /nfs/dbraw/zinc/80/54/50/528805450.db2.gz KOARIEJWISUZSD-HNNXBMFYSA-N 2 1 371.551 0.450 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1C[NH+]=C(NCC(=O)N(C)C)N1CC[C@]2(CCOC2)C1 ZINC000185535140 529058430 /nfs/dbraw/zinc/05/84/30/529058430.db2.gz LLAIYZCBEAUQBT-APWZRJJASA-N 2 1 365.522 0.617 20 30 FCEDMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419908075 535159235 /nfs/dbraw/zinc/15/92/35/535159235.db2.gz HSPQQYUIAUIIHB-UHFFFAOYSA-N 2 1 371.485 0.708 20 30 FCEDMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419908075 535159237 /nfs/dbraw/zinc/15/92/37/535159237.db2.gz HSPQQYUIAUIIHB-UHFFFAOYSA-N 2 1 371.485 0.708 20 30 FCEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000735399057 598530336 /nfs/dbraw/zinc/53/03/36/598530336.db2.gz OIGLJSHJALBSKD-ZDUSSCGKSA-N 2 1 357.466 0.735 20 30 FCEDMP CC(C)(C)OC(=O)N1CCN(C(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303702869 674570812 /nfs/dbraw/zinc/57/08/12/674570812.db2.gz JDINJXRAJACWBC-UHFFFAOYSA-N 2 1 355.483 0.576 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)CC1CCCCC1 ZINC000303986131 674574186 /nfs/dbraw/zinc/57/41/86/674574186.db2.gz UEAICYSUGMEMJQ-UHFFFAOYSA-N 2 1 353.511 0.700 20 30 FCEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124176 664854183 /nfs/dbraw/zinc/85/41/83/664854183.db2.gz SCIDRHSICGZBCA-IAGOWNOFSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)CCO2 ZINC000949124176 664854184 /nfs/dbraw/zinc/85/41/84/664854184.db2.gz SCIDRHSICGZBCA-IAGOWNOFSA-N 2 1 351.491 0.975 20 30 FCEDMP CC(C)(O)C[NH+]1CCC(=NNC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000814213332 669878374 /nfs/dbraw/zinc/87/83/74/669878374.db2.gz IGAQDKYRBUOFGC-UHFFFAOYSA-N 2 1 371.551 0.396 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CS(=O)(=O)NC)cc1 ZINC000104158589 673675706 /nfs/dbraw/zinc/67/57/06/673675706.db2.gz PAZRBXFLLCYRPQ-MRXNPFEDSA-N 2 1 367.519 0.624 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362768 1170484797 /nfs/dbraw/zinc/48/47/97/1170484797.db2.gz IUASLNKICROMAA-IXDOHACOSA-N 2 1 364.534 0.929 20 30 FCEDMP CC[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CC[N@H+]1CC#CCOC ZINC001691478007 1180168183 /nfs/dbraw/zinc/16/81/83/1180168183.db2.gz NUGGKLXXRHYPMC-FUHWJXTLSA-N 2 1 361.490 0.677 20 30 FCEDMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001024573078 1181348751 /nfs/dbraw/zinc/34/87/51/1181348751.db2.gz WKVMCMOITPKYHC-OTWHNJEPSA-N 2 1 363.502 0.860 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529478 1186082783 /nfs/dbraw/zinc/08/27/83/1186082783.db2.gz AYBYFBMRCZSFKX-ZWOKBUDYSA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C2 ZINC001112529701 1186085296 /nfs/dbraw/zinc/08/52/96/1186085296.db2.gz LHQMGVLKDFWXFS-UWVAXJGDSA-N 2 1 362.518 0.849 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cccn3)CC[C@@H]2C1 ZINC001087997860 1190173227 /nfs/dbraw/zinc/17/32/27/1190173227.db2.gz CTQOTSLCIREUGZ-QYZOEREBSA-N 2 1 355.486 0.761 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCn3cccn3)CC[C@@H]2C1 ZINC001087997860 1190173231 /nfs/dbraw/zinc/17/32/31/1190173231.db2.gz CTQOTSLCIREUGZ-QYZOEREBSA-N 2 1 355.486 0.761 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cccn3)CC[C@@H]2C1 ZINC001087997860 1190173235 /nfs/dbraw/zinc/17/32/35/1190173235.db2.gz CTQOTSLCIREUGZ-QYZOEREBSA-N 2 1 355.486 0.761 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cccn3)CC[C@@H]2C1 ZINC001087997860 1190173238 /nfs/dbraw/zinc/17/32/38/1190173238.db2.gz CTQOTSLCIREUGZ-QYZOEREBSA-N 2 1 355.486 0.761 20 30 FCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218332434 1224154233 /nfs/dbraw/zinc/15/42/33/1224154233.db2.gz INVSACPGXCQPIS-VVJOJPPRSA-N 2 1 361.486 0.727 20 30 FCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218332434 1224154235 /nfs/dbraw/zinc/15/42/35/1224154235.db2.gz INVSACPGXCQPIS-VVJOJPPRSA-N 2 1 361.486 0.727 20 30 FCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218332434 1224154238 /nfs/dbraw/zinc/15/42/38/1224154238.db2.gz INVSACPGXCQPIS-VVJOJPPRSA-N 2 1 361.486 0.727 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083535527 1194226964 /nfs/dbraw/zinc/22/69/64/1194226964.db2.gz WCHZRFYKVILVEI-AABGKKOBSA-N 2 1 370.497 0.512 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(Cc2cccc(N(C)C)c2)C[C@@H]1O ZINC001083535527 1194226967 /nfs/dbraw/zinc/22/69/67/1194226967.db2.gz WCHZRFYKVILVEI-AABGKKOBSA-N 2 1 370.497 0.512 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](Cc4cnn(C)c4)C[C@H]32)CC1 ZINC001076604602 1194593574 /nfs/dbraw/zinc/59/35/74/1194593574.db2.gz NJPTXISLELWTEP-RBUKOAKNSA-N 2 1 355.486 0.798 20 30 FCEDMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)C2 ZINC000592432207 1196622717 /nfs/dbraw/zinc/62/27/17/1196622717.db2.gz MUVHCSCXLYFNOK-DLBZAZTESA-N 2 1 370.453 0.942 20 30 FCEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106357871 1197876290 /nfs/dbraw/zinc/87/62/90/1197876290.db2.gz ORUPLSWCKOQZML-ZACQAIPSSA-N 2 1 363.506 0.431 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357679 1197876321 /nfs/dbraw/zinc/87/63/21/1197876321.db2.gz JARRBEJRUKFXAS-KZNAEPCWSA-N 2 1 362.518 0.540 20 30 FCEDMP N#CC[C@H](N)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219727265 1224580387 /nfs/dbraw/zinc/58/03/87/1224580387.db2.gz ZWELTANEWOZLIT-MSOLQXFVSA-N 2 1 355.486 0.845 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001109649747 1200441875 /nfs/dbraw/zinc/44/18/75/1200441875.db2.gz BRQCVVWNYSTOLH-QZWWFDLISA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001109649747 1200441882 /nfs/dbraw/zinc/44/18/82/1200441882.db2.gz BRQCVVWNYSTOLH-QZWWFDLISA-N 2 1 360.502 0.837 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892028 1201415159 /nfs/dbraw/zinc/41/51/59/1201415159.db2.gz DIEJQJAGTVMLHH-OAGGEKHMSA-N 2 1 353.430 0.417 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@@H]1n1ccnn1 ZINC001129892383 1201415965 /nfs/dbraw/zinc/41/59/65/1201415965.db2.gz UVBZRPYRXIGDCA-PMPSAXMXSA-N 2 1 355.446 0.970 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129923663 1201443058 /nfs/dbraw/zinc/44/30/58/1201443058.db2.gz PBBSXYBQZBFXJD-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001129978012 1201460193 /nfs/dbraw/zinc/46/01/93/1201460193.db2.gz NXTOHDYCMAPHTF-IKGGRYGDSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@@H]1n1ccnn1 ZINC001129978012 1201460194 /nfs/dbraw/zinc/46/01/94/1201460194.db2.gz NXTOHDYCMAPHTF-IKGGRYGDSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001130012112 1201471224 /nfs/dbraw/zinc/47/12/24/1201471224.db2.gz PHQRBCSQONVEHR-BBWFWOEESA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[nH]1 ZINC001130242200 1201562402 /nfs/dbraw/zinc/56/24/02/1201562402.db2.gz LMBZYKRQQJVPJW-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001130692547 1202755415 /nfs/dbraw/zinc/75/54/15/1202755415.db2.gz PYUNOGULDOJELF-FUHWJXTLSA-N 2 1 359.474 0.050 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C34CC[NH+](CC3)C4)n[nH]2)O1 ZINC001130817761 1202808425 /nfs/dbraw/zinc/80/84/25/1202808425.db2.gz YOLHFLRXHCYAMN-UONOGXRCSA-N 2 1 360.462 0.512 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316430 1202885177 /nfs/dbraw/zinc/88/51/77/1202885177.db2.gz IYEMHBOSCLULRV-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001131316430 1202885179 /nfs/dbraw/zinc/88/51/79/1202885179.db2.gz IYEMHBOSCLULRV-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131312968 1202887399 /nfs/dbraw/zinc/88/73/99/1202887399.db2.gz CPFVUJUMJLFWJU-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001131312968 1202887401 /nfs/dbraw/zinc/88/74/01/1202887401.db2.gz CPFVUJUMJLFWJU-BBWFWOEESA-N 2 1 362.474 0.457 20 30 FCEDMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+](Cc1cncc(C#N)c1)CC2 ZINC001144080523 1204417243 /nfs/dbraw/zinc/41/72/43/1204417243.db2.gz OYEZJIYUWPPOIH-UHFFFAOYSA-N 2 1 370.501 0.623 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481589 1207686845 /nfs/dbraw/zinc/68/68/45/1207686845.db2.gz WVVJOQWJHKQQLT-ZWKOTPCHSA-N 2 1 360.502 0.535 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190481589 1207686847 /nfs/dbraw/zinc/68/68/47/1207686847.db2.gz WVVJOQWJHKQQLT-ZWKOTPCHSA-N 2 1 360.502 0.535 20 30 FCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001196799072 1208107617 /nfs/dbraw/zinc/10/76/17/1208107617.db2.gz ZHZJQWHHISMHJD-QZTJIDSGSA-N 2 1 363.506 0.966 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001110664178 1209589271 /nfs/dbraw/zinc/58/92/71/1209589271.db2.gz IRMCEBAPFMFRST-NCOADZHNSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001110664178 1209589279 /nfs/dbraw/zinc/58/92/79/1209589279.db2.gz IRMCEBAPFMFRST-NCOADZHNSA-N 2 1 360.502 0.979 20 30 FCEDMP C=C(C[NH+](C)C)C(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000854468175 1209629698 /nfs/dbraw/zinc/62/96/98/1209629698.db2.gz BDYUVXMNJILZEK-UHFFFAOYSA-N 2 1 372.469 0.791 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000890368687 1210976130 /nfs/dbraw/zinc/97/61/30/1210976130.db2.gz LUXNKPQAWNODEK-GBESFXJTSA-N 2 1 361.534 0.751 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000890368687 1210976134 /nfs/dbraw/zinc/97/61/34/1210976134.db2.gz LUXNKPQAWNODEK-GBESFXJTSA-N 2 1 361.534 0.751 20 30 FCEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000303893897 1213445858 /nfs/dbraw/zinc/44/58/58/1213445858.db2.gz SFLODZREZHRERB-KRWDZBQOSA-N 2 1 359.518 0.930 20 30 FCEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000303893897 1213445860 /nfs/dbraw/zinc/44/58/60/1213445860.db2.gz SFLODZREZHRERB-KRWDZBQOSA-N 2 1 359.518 0.930 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919589 1225535838 /nfs/dbraw/zinc/53/58/38/1225535838.db2.gz XCQLGRFKUUIHLQ-IAGOWNOFSA-N 2 1 363.506 0.623 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001221919589 1225535840 /nfs/dbraw/zinc/53/58/40/1225535840.db2.gz XCQLGRFKUUIHLQ-IAGOWNOFSA-N 2 1 363.506 0.623 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001221919589 1225535843 /nfs/dbraw/zinc/53/58/43/1225535843.db2.gz XCQLGRFKUUIHLQ-IAGOWNOFSA-N 2 1 363.506 0.623 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001221919589 1225535846 /nfs/dbraw/zinc/53/58/46/1225535846.db2.gz XCQLGRFKUUIHLQ-IAGOWNOFSA-N 2 1 363.506 0.623 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945834 1216859210 /nfs/dbraw/zinc/85/92/10/1216859210.db2.gz YIAQQDULZCVTAY-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945834 1216859213 /nfs/dbraw/zinc/85/92/13/1216859213.db2.gz YIAQQDULZCVTAY-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001069945834 1216859214 /nfs/dbraw/zinc/85/92/14/1216859214.db2.gz YIAQQDULZCVTAY-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001225377650 1225808979 /nfs/dbraw/zinc/80/89/79/1225808979.db2.gz DDTVKIGZGKIPBH-ZACQAIPSSA-N 2 1 363.506 0.860 20 30 FCEDMP C[NH+](C)CCN1C[C@@]2(CC[N@H+](Cc3ccc(C#N)cc3O)C2)OCC1=O ZINC001277130228 1225845050 /nfs/dbraw/zinc/84/50/50/1225845050.db2.gz IYFULDIFGGLYQL-IBGZPJMESA-N 2 1 358.442 0.629 20 30 FCEDMP C[NH+](C)CCN1C[C@@]2(CC[N@@H+](Cc3ccc(C#N)cc3O)C2)OCC1=O ZINC001277130228 1225845052 /nfs/dbraw/zinc/84/50/52/1225845052.db2.gz IYFULDIFGGLYQL-IBGZPJMESA-N 2 1 358.442 0.629 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454230 1218838163 /nfs/dbraw/zinc/83/81/63/1218838163.db2.gz RNDMLMKTXOVJMX-MLHJIOFPSA-N 2 1 360.502 0.722 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001111454230 1218838164 /nfs/dbraw/zinc/83/81/64/1218838164.db2.gz RNDMLMKTXOVJMX-MLHJIOFPSA-N 2 1 360.502 0.722 20 30 FCEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001226766267 1225854191 /nfs/dbraw/zinc/85/41/91/1225854191.db2.gz KNMDEKVIPJFLOC-BRWVUGGUSA-N 2 1 363.506 0.621 20 30 FCEDMP CC(C)C#CC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583652 1219088095 /nfs/dbraw/zinc/08/80/95/1219088095.db2.gz WMWCXIGPFZVLOS-SJLPKXTDSA-N 2 1 362.518 0.683 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100609 1219175656 /nfs/dbraw/zinc/17/56/56/1219175656.db2.gz YPMWTLZTLKRQAF-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100609 1219175658 /nfs/dbraw/zinc/17/56/58/1219175658.db2.gz YPMWTLZTLKRQAF-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100609 1219175661 /nfs/dbraw/zinc/17/56/61/1219175661.db2.gz YPMWTLZTLKRQAF-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100609 1219175664 /nfs/dbraw/zinc/17/56/64/1219175664.db2.gz YPMWTLZTLKRQAF-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC(=C)C)C[C@@H]2n2ccnn2)CC1 ZINC001070102487 1219177643 /nfs/dbraw/zinc/17/76/43/1219177643.db2.gz NHUZSQIFXKZCOY-MOPGFXCFSA-N 2 1 370.501 0.931 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@@H]1n1ccnn1 ZINC001070275654 1219343388 /nfs/dbraw/zinc/34/33/88/1219343388.db2.gz YIDZMLKKKYHVOU-VKJFTORMSA-N 2 1 362.453 0.465 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@@H]1n1ccnn1 ZINC001070302665 1219361194 /nfs/dbraw/zinc/36/11/94/1219361194.db2.gz DGGBVYBVTMFADR-SJORKVTESA-N 2 1 362.397 0.147 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070372076 1219401714 /nfs/dbraw/zinc/40/17/14/1219401714.db2.gz WCDVLHMOBVGYSG-MYZZLAAOSA-N 2 1 362.518 0.988 20 30 FCEDMP C=CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382801 1219407815 /nfs/dbraw/zinc/40/78/15/1219407815.db2.gz RKTGHUMNEHSLCS-SCTDSRPQSA-N 2 1 362.518 0.990 20 30 FCEDMP C#CCCC[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276384224 1219412127 /nfs/dbraw/zinc/41/21/27/1219412127.db2.gz LPSRYWBKPVDJNR-HXUWFJFHSA-N 2 1 362.518 0.341 20 30 FCEDMP C#CCCC[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276384224 1219412128 /nfs/dbraw/zinc/41/21/28/1219412128.db2.gz LPSRYWBKPVDJNR-HXUWFJFHSA-N 2 1 362.518 0.341 20 30 FCEDMP C#CCCC[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276384224 1219412131 /nfs/dbraw/zinc/41/21/31/1219412131.db2.gz LPSRYWBKPVDJNR-HXUWFJFHSA-N 2 1 362.518 0.341 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cncn1C ZINC001070655652 1219510560 /nfs/dbraw/zinc/51/05/60/1219510560.db2.gz WYPKNQFSFACVJO-BZUAXINKSA-N 2 1 352.442 0.711 20 30 FCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001071080006 1219601377 /nfs/dbraw/zinc/60/13/77/1219601377.db2.gz HVHNSRHVSHJUES-QYZOEREBSA-N 2 1 363.502 0.715 20 30 FCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001071080006 1219601379 /nfs/dbraw/zinc/60/13/79/1219601379.db2.gz HVHNSRHVSHJUES-QYZOEREBSA-N 2 1 363.502 0.715 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCCC2)CC1 ZINC001098461139 1219787154 /nfs/dbraw/zinc/78/71/54/1219787154.db2.gz QLYPJNWEOSSGJK-QRVBRYPASA-N 2 1 372.513 0.676 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCCC2)CC1 ZINC001098461139 1219787158 /nfs/dbraw/zinc/78/71/58/1219787158.db2.gz QLYPJNWEOSSGJK-QRVBRYPASA-N 2 1 372.513 0.676 20 30 FCEDMP C=CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001098685447 1219810947 /nfs/dbraw/zinc/81/09/47/1219810947.db2.gz IHUJUIGDJJQJJD-HYVNUMGLSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001098946780 1219871619 /nfs/dbraw/zinc/87/16/19/1219871619.db2.gz ZCVRJYOTLIWMKY-QKLQHJQFSA-N 2 1 371.485 0.949 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3c[nH+]cc3C)C2)C1=O ZINC001098946780 1219871621 /nfs/dbraw/zinc/87/16/21/1219871621.db2.gz ZCVRJYOTLIWMKY-QKLQHJQFSA-N 2 1 371.485 0.949 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001099448002 1220000114 /nfs/dbraw/zinc/00/01/14/1220000114.db2.gz XAZDMCJBYQCDCV-BXWFABGCSA-N 2 1 371.489 0.026 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2nnnn2C)C1 ZINC001099448002 1220000119 /nfs/dbraw/zinc/00/01/19/1220000119.db2.gz XAZDMCJBYQCDCV-BXWFABGCSA-N 2 1 371.489 0.026 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101352663 1220298519 /nfs/dbraw/zinc/29/85/19/1220298519.db2.gz JECREGCOYGALHY-XLIONFOSSA-N 2 1 362.518 0.919 20 30 FCEDMP C[C@@H](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)n1ccnc1 ZINC001101376585 1220308265 /nfs/dbraw/zinc/30/82/65/1220308265.db2.gz GVBOJKPXYVPEOG-DAYGRLMNSA-N 2 1 358.446 0.254 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@]2(C)C1 ZINC001101402504 1220324820 /nfs/dbraw/zinc/32/48/20/1220324820.db2.gz MFDVAVMQLMLAPS-XLIONFOSSA-N 2 1 362.518 0.801 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102045263 1220475894 /nfs/dbraw/zinc/47/58/94/1220475894.db2.gz ZDJMAAFVYACVHZ-BZUAXINKSA-N 2 1 359.474 0.747 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102045263 1220475897 /nfs/dbraw/zinc/47/58/97/1220475897.db2.gz ZDJMAAFVYACVHZ-BZUAXINKSA-N 2 1 359.474 0.747 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046104 1220475986 /nfs/dbraw/zinc/47/59/86/1220475986.db2.gz NDTCDVADFMBVNP-ZACQAIPSSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC001102454748 1220630620 /nfs/dbraw/zinc/63/06/20/1220630620.db2.gz QFIILHXQLNODSP-IAGOWNOFSA-N 2 1 363.506 0.945 20 30 FCEDMP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+]1CCCC1 ZINC001102601451 1220722848 /nfs/dbraw/zinc/72/28/48/1220722848.db2.gz DHXGSSGKDSSXQG-NUJGCVRESA-N 2 1 363.506 0.431 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001103426758 1220880090 /nfs/dbraw/zinc/88/00/90/1220880090.db2.gz MANWPTBVDIXAKG-KURKYZTESA-N 2 1 364.534 0.930 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103646694 1220927341 /nfs/dbraw/zinc/92/73/41/1220927341.db2.gz FVVIDVWBUQOTJT-BRWVUGGUSA-N 2 1 362.518 0.847 20 30 FCEDMP C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851978 1221135281 /nfs/dbraw/zinc/13/52/81/1221135281.db2.gz WYBCFAUNCKQOCK-BOSXTWCSSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001111851978 1221135283 /nfs/dbraw/zinc/13/52/83/1221135283.db2.gz WYBCFAUNCKQOCK-BOSXTWCSSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851978 1221135286 /nfs/dbraw/zinc/13/52/86/1221135286.db2.gz WYBCFAUNCKQOCK-BOSXTWCSSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851978 1221135289 /nfs/dbraw/zinc/13/52/89/1221135289.db2.gz WYBCFAUNCKQOCK-BOSXTWCSSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001111851978 1221135291 /nfs/dbraw/zinc/13/52/91/1221135291.db2.gz WYBCFAUNCKQOCK-BOSXTWCSSA-N 2 1 360.502 0.437 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001111861146 1221140771 /nfs/dbraw/zinc/14/07/71/1221140771.db2.gz XFFUONGCFYZLQI-KNBMTAEXSA-N 2 1 362.518 0.990 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001112134987 1221210635 /nfs/dbraw/zinc/21/06/35/1221210635.db2.gz VBLOFEBNYHWYPU-QJNCVLDKSA-N 2 1 371.403 0.852 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCCCC2)CC[N@H+]1C ZINC001115544910 1221313003 /nfs/dbraw/zinc/31/30/03/1221313003.db2.gz HPWTUTKGQJJUKD-JKSUJKDBSA-N 2 1 363.506 0.765 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[N@@H+]4CCOC[C@H]4C3)n2CC)CC1 ZINC001121813113 1222214053 /nfs/dbraw/zinc/21/40/53/1222214053.db2.gz MTPOKLYKXNWZPW-QGZVFWFLSA-N 2 1 358.490 0.631 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[N@H+]4CCOC[C@H]4C3)n2CC)CC1 ZINC001121813113 1222214066 /nfs/dbraw/zinc/21/40/66/1222214066.db2.gz MTPOKLYKXNWZPW-QGZVFWFLSA-N 2 1 358.490 0.631 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000840379910 1222786210 /nfs/dbraw/zinc/78/62/10/1222786210.db2.gz QDAGFPYTVYMDOX-UHFFFAOYSA-N 2 1 365.522 0.037 20 30 FCEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)cn1)C2 ZINC001276504067 1223407496 /nfs/dbraw/zinc/40/74/96/1223407496.db2.gz XOVSHYAQMVZVTR-IBGZPJMESA-N 2 1 357.458 0.566 20 30 FCEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)cn1)C2 ZINC001276504067 1223407499 /nfs/dbraw/zinc/40/74/99/1223407499.db2.gz XOVSHYAQMVZVTR-IBGZPJMESA-N 2 1 357.458 0.566 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207554143 1223456180 /nfs/dbraw/zinc/45/61/80/1223456180.db2.gz WJZXOZYUJAKMQF-SZVBFZGTSA-N 2 1 362.518 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207554143 1223456183 /nfs/dbraw/zinc/45/61/83/1223456183.db2.gz WJZXOZYUJAKMQF-SZVBFZGTSA-N 2 1 362.518 0.964 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988647 1223503818 /nfs/dbraw/zinc/50/38/18/1223503818.db2.gz SVVQSVOOAUOTPO-JKIFEVAISA-N 2 1 353.426 0.522 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988647 1223503821 /nfs/dbraw/zinc/50/38/21/1223503821.db2.gz SVVQSVOOAUOTPO-JKIFEVAISA-N 2 1 353.426 0.522 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCCn3ccnc3)C2)C1=O ZINC001211450349 1223743347 /nfs/dbraw/zinc/74/33/47/1223743347.db2.gz VHLVSZCBAODSRH-ZACQAIPSSA-N 2 1 359.474 0.887 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCCN2CCOCC2)[C@H](OC)C1 ZINC001213576103 1223816317 /nfs/dbraw/zinc/81/63/17/1223816317.db2.gz FPYGLPPQCDIICG-QZTJIDSGSA-N 2 1 369.506 0.507 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213576103 1223816322 /nfs/dbraw/zinc/81/63/22/1223816322.db2.gz FPYGLPPQCDIICG-QZTJIDSGSA-N 2 1 369.506 0.507 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998656465 1251942263 /nfs/dbraw/zinc/94/22/63/1251942263.db2.gz QRQOHUFKMQWILU-OWSLCNJRSA-N 2 1 370.497 0.428 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC000998656465 1251942268 /nfs/dbraw/zinc/94/22/68/1251942268.db2.gz QRQOHUFKMQWILU-OWSLCNJRSA-N 2 1 370.497 0.428 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001003363705 1252874177 /nfs/dbraw/zinc/87/41/77/1252874177.db2.gz SDKXMVJVMFLLLT-YRXWBPOGSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004396472 1253313817 /nfs/dbraw/zinc/31/38/17/1253313817.db2.gz QRQOHUFKMQWILU-BDXSIMOUSA-N 2 1 370.497 0.428 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004396472 1253313826 /nfs/dbraw/zinc/31/38/26/1253313826.db2.gz QRQOHUFKMQWILU-BDXSIMOUSA-N 2 1 370.497 0.428 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC3CCOCC3)C[C@H]2O)CC1 ZINC001078227432 1255342408 /nfs/dbraw/zinc/34/24/08/1255342408.db2.gz ZERAQQWXRIZODB-RTBURBONSA-N 2 1 363.502 0.310 20 30 FCEDMP C=CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H](C)COC ZINC001330465613 1266032114 /nfs/dbraw/zinc/03/21/14/1266032114.db2.gz GSDVIHASEOKNLN-HOTGVXAUSA-N 2 1 366.506 0.321 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H]3CCCOC3)C[C@H]2OC)CC1 ZINC001082384186 1256734813 /nfs/dbraw/zinc/73/48/13/1256734813.db2.gz HPWBWQKFQNHPTM-QXAKKESOSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC3CCC3)C[C@H]2OC)CC1 ZINC001082384438 1256737081 /nfs/dbraw/zinc/73/70/81/1256737081.db2.gz WIAUFJJULPDQJN-RTBURBONSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106728994 1258949451 /nfs/dbraw/zinc/94/94/51/1258949451.db2.gz CAJVHTZIRHHZPB-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106983242 1259010403 /nfs/dbraw/zinc/01/04/03/1259010403.db2.gz WPRSMCNYTYKLPP-IXDOHACOSA-N 2 1 363.506 0.384 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439093 1259087166 /nfs/dbraw/zinc/08/71/66/1259087166.db2.gz RDHHFBQGZZWHJN-IMFGXOCKSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C3CC3)[NH+](C)C)CCC[C@@H]12 ZINC001107439095 1259087283 /nfs/dbraw/zinc/08/72/83/1259087283.db2.gz RDHHFBQGZZWHJN-YVWKXTFCSA-N 2 1 360.502 0.437 20 30 FCEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107449830 1259091892 /nfs/dbraw/zinc/09/18/92/1259091892.db2.gz ZBNGGKHDZVLJAS-GPMSIDNRSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107449830 1259091901 /nfs/dbraw/zinc/09/19/01/1259091901.db2.gz ZBNGGKHDZVLJAS-GPMSIDNRSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107449830 1259091910 /nfs/dbraw/zinc/09/19/10/1259091910.db2.gz ZBNGGKHDZVLJAS-GPMSIDNRSA-N 2 1 361.490 0.471 20 30 FCEDMP C#CC[NH2+]Cc1cccc(N2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107261 1259192690 /nfs/dbraw/zinc/19/26/90/1259192690.db2.gz OZZIBVXFHHGJPU-KBAYOESNSA-N 2 1 355.486 0.840 20 30 FCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001128993828 1259284640 /nfs/dbraw/zinc/28/46/40/1259284640.db2.gz UPNZGFLAXVMRSU-KURKYZTESA-N 2 1 358.490 0.928 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084673 1259308348 /nfs/dbraw/zinc/30/83/48/1259308348.db2.gz SBOUVEPQLZYVEI-CVEARBPZSA-N 2 1 364.494 0.553 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084673 1259308354 /nfs/dbraw/zinc/30/83/54/1259308354.db2.gz SBOUVEPQLZYVEI-CVEARBPZSA-N 2 1 364.494 0.553 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084673 1259308362 /nfs/dbraw/zinc/30/83/62/1259308362.db2.gz SBOUVEPQLZYVEI-CVEARBPZSA-N 2 1 364.494 0.553 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129084673 1259308368 /nfs/dbraw/zinc/30/83/68/1259308368.db2.gz SBOUVEPQLZYVEI-CVEARBPZSA-N 2 1 364.494 0.553 20 30 FCEDMP N#Cc1ccc(C(=O)N2CCC([N@@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246638806 1259656407 /nfs/dbraw/zinc/65/64/07/1259656407.db2.gz UFAQHWVSEGMRSR-HXUWFJFHSA-N 2 1 353.470 0.800 20 30 FCEDMP N#Cc1ccc(C(=O)N2CCC([N@H+]3CCN[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC001246638806 1259656415 /nfs/dbraw/zinc/65/64/15/1259656415.db2.gz UFAQHWVSEGMRSR-HXUWFJFHSA-N 2 1 353.470 0.800 20 30 FCEDMP CC[NH+]=C(NCC1(O)CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001336888508 1260246760 /nfs/dbraw/zinc/24/67/60/1260246760.db2.gz GPBCHVANPFTWFF-INIZCTEOSA-N 2 1 354.495 0.148 20 30 FCEDMP C#CCCC[N@@H+]1CCn2c(nnc2C(=O)NC2CC[NH+](C)CC2)C[C@H]1C ZINC001279749948 1260927520 /nfs/dbraw/zinc/92/75/20/1260927520.db2.gz OHOJQTNXCBVJGQ-OAHLLOKOSA-N 2 1 358.490 0.762 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CCc3c[nH]nn3)C2)CC1 ZINC001574966835 1271686791 /nfs/dbraw/zinc/68/67/91/1271686791.db2.gz IGLVMOFPGVFKLQ-MRXNPFEDSA-N 2 1 358.490 0.473 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)CCc3cn[nH]n3)C2)CC1 ZINC001574966835 1271686797 /nfs/dbraw/zinc/68/67/97/1271686797.db2.gz IGLVMOFPGVFKLQ-MRXNPFEDSA-N 2 1 358.490 0.473 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@@H+](C)CCc3cn[nH]n3)C2)CC1 ZINC001574966835 1271686803 /nfs/dbraw/zinc/68/68/03/1271686803.db2.gz IGLVMOFPGVFKLQ-MRXNPFEDSA-N 2 1 358.490 0.473 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2C[NH2+]CCc2c[nH]nn2)CC1 ZINC001574966773 1271687579 /nfs/dbraw/zinc/68/75/79/1271687579.db2.gz HGNRUXKCZYQFLX-QFBILLFUSA-N 2 1 372.517 0.909 20 30 FCEDMP COCC#CC[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CCO2 ZINC001755171122 1290641192 /nfs/dbraw/zinc/64/11/92/1290641192.db2.gz KUVPSQMRANYDJC-QZTJIDSGSA-N 2 1 363.502 0.670 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1n1ccnn1 ZINC001070267872 837641476 /nfs/dbraw/zinc/64/14/76/837641476.db2.gz VCCSEURSJGFOSH-CABCVRRESA-N 2 1 352.870 0.714 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070268905 837641804 /nfs/dbraw/zinc/64/18/04/837641804.db2.gz RPFHHQSOGSGMRC-QLFBSQMISA-N 2 1 354.886 0.958 20 30 FCEDMP C=C(C)CC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001070964505 837705180 /nfs/dbraw/zinc/70/51/80/837705180.db2.gz MEOCXNVYPZAHOO-IAGOWNOFSA-N 2 1 350.507 0.943 20 30 FCEDMP C=C(C)CC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964505 837705190 /nfs/dbraw/zinc/70/51/90/837705190.db2.gz MEOCXNVYPZAHOO-IAGOWNOFSA-N 2 1 350.507 0.943 20 30 FCEDMP C=C(C)CC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001070964505 837705196 /nfs/dbraw/zinc/70/51/96/837705196.db2.gz MEOCXNVYPZAHOO-IAGOWNOFSA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@]2(C)C1 ZINC001101345835 844153076 /nfs/dbraw/zinc/15/30/76/844153076.db2.gz IYPVEDVBQBVVEL-FCEWJHQRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276375 844456585 /nfs/dbraw/zinc/45/65/85/844456585.db2.gz LXIIQYLRAFUBBO-LTIDMASMSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276375 844456588 /nfs/dbraw/zinc/45/65/88/844456588.db2.gz LXIIQYLRAFUBBO-LTIDMASMSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC001102276375 844456590 /nfs/dbraw/zinc/45/65/90/844456590.db2.gz LXIIQYLRAFUBBO-LTIDMASMSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373886 844479431 /nfs/dbraw/zinc/47/94/31/844479431.db2.gz QTRKEAQKHMQACU-HZPDHXFCSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373886 844479436 /nfs/dbraw/zinc/47/94/36/844479436.db2.gz QTRKEAQKHMQACU-HZPDHXFCSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102373886 844479438 /nfs/dbraw/zinc/47/94/38/844479438.db2.gz QTRKEAQKHMQACU-HZPDHXFCSA-N 2 1 350.507 0.705 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](CC)OC)C[C@H]2OC)CC1 ZINC001082384364 840375800 /nfs/dbraw/zinc/37/58/00/840375800.db2.gz RHXSLVLCJIMOTQ-RCCFBDPRSA-N 2 1 351.491 0.572 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2C)CC1 ZINC001102596608 844587066 /nfs/dbraw/zinc/58/70/66/844587066.db2.gz PEEPNMIWCUMQFZ-KBAYOESNSA-N 2 1 351.491 0.023 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001103089941 844699350 /nfs/dbraw/zinc/69/93/50/844699350.db2.gz GZTYUNVQXDZRLC-HZPDHXFCSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001103089941 844699356 /nfs/dbraw/zinc/69/93/56/844699356.db2.gz GZTYUNVQXDZRLC-HZPDHXFCSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001103089941 844699361 /nfs/dbraw/zinc/69/93/61/844699361.db2.gz GZTYUNVQXDZRLC-HZPDHXFCSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577710 845199317 /nfs/dbraw/zinc/19/93/17/845199317.db2.gz QECXOSAMNNCZHU-KZNAEPCWSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001106577710 845199324 /nfs/dbraw/zinc/19/93/24/845199324.db2.gz QECXOSAMNNCZHU-KZNAEPCWSA-N 2 1 353.507 0.982 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672763 845222067 /nfs/dbraw/zinc/22/20/67/845222067.db2.gz JNBZJZZPQRERMN-HZPDHXFCSA-N 2 1 350.507 0.398 20 30 FCEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001193738138 852479244 /nfs/dbraw/zinc/47/92/44/852479244.db2.gz OOVYOMBFMRGALQ-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001193738138 852479250 /nfs/dbraw/zinc/47/92/50/852479250.db2.gz OOVYOMBFMRGALQ-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001193738138 852479257 /nfs/dbraw/zinc/47/92/57/852479257.db2.gz OOVYOMBFMRGALQ-KZNAEPCWSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCCCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198698852 853303716 /nfs/dbraw/zinc/30/37/16/853303716.db2.gz GSZMKJTYZXTCCD-KZNAEPCWSA-N 2 1 353.507 0.862 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001207537688 853820934 /nfs/dbraw/zinc/82/09/34/853820934.db2.gz GRNVRBQLGNLSJW-BRWVUGGUSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001207537688 853820937 /nfs/dbraw/zinc/82/09/37/853820937.db2.gz GRNVRBQLGNLSJW-BRWVUGGUSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537688 853820940 /nfs/dbraw/zinc/82/09/40/853820940.db2.gz GRNVRBQLGNLSJW-BRWVUGGUSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001207537688 853820944 /nfs/dbraw/zinc/82/09/44/853820944.db2.gz GRNVRBQLGNLSJW-BRWVUGGUSA-N 2 1 350.507 0.703 20 30 FCEDMP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC(=O)N(CC)CCC#N)C[C@H]1C)[NH+](C)C ZINC001207703263 853843629 /nfs/dbraw/zinc/84/36/29/853843629.db2.gz UMYQXVBQGGJUOP-BZUAXINKSA-N 2 1 351.495 0.525 20 30 FCEDMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC(=O)N(CC)CCC#N)C[C@H]1C)[NH+](C)C ZINC001207703263 853843632 /nfs/dbraw/zinc/84/36/32/853843632.db2.gz UMYQXVBQGGJUOP-BZUAXINKSA-N 2 1 351.495 0.525 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211366463 854181804 /nfs/dbraw/zinc/18/18/04/854181804.db2.gz DGGQZYDGEHRVMW-IAGOWNOFSA-N 2 1 350.507 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211366463 854181807 /nfs/dbraw/zinc/18/18/07/854181807.db2.gz DGGQZYDGEHRVMW-IAGOWNOFSA-N 2 1 350.507 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366463 854181811 /nfs/dbraw/zinc/18/18/11/854181811.db2.gz DGGQZYDGEHRVMW-IAGOWNOFSA-N 2 1 350.507 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211366463 854181812 /nfs/dbraw/zinc/18/18/12/854181812.db2.gz DGGQZYDGEHRVMW-IAGOWNOFSA-N 2 1 350.507 0.964 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401212 854464199 /nfs/dbraw/zinc/46/41/99/854464199.db2.gz IMKYIFPXSPTOTK-RCCFBDPRSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401212 854464202 /nfs/dbraw/zinc/46/42/02/854464202.db2.gz IMKYIFPXSPTOTK-RCCFBDPRSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@H](OC)C1 ZINC001212401212 854464205 /nfs/dbraw/zinc/46/42/05/854464205.db2.gz IMKYIFPXSPTOTK-RCCFBDPRSA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001214845315 855021258 /nfs/dbraw/zinc/02/12/58/855021258.db2.gz NYBBVXYRCVIKHY-BRWVUGGUSA-N 2 1 350.507 0.703 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)CCC#N)C1 ZINC001216499280 855208612 /nfs/dbraw/zinc/20/86/12/855208612.db2.gz IRHSUNCQOUAKQR-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](O)C1 ZINC001220072443 855947147 /nfs/dbraw/zinc/94/71/47/855947147.db2.gz WIWFIFIGQCEJLY-SJORKVTESA-N 2 1 353.507 0.862 20 30 FCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985809 856407863 /nfs/dbraw/zinc/40/78/63/856407863.db2.gz GSZMKJTYZXTCCD-KSZLIROESA-N 2 1 353.507 0.862 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@@H+](C)CC)C[C@@H]21 ZINC001223023816 856891328 /nfs/dbraw/zinc/89/13/28/856891328.db2.gz PRBBUGBPPKCRFV-CVEARBPZSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]21 ZINC001223023816 856891342 /nfs/dbraw/zinc/89/13/42/856891342.db2.gz PRBBUGBPPKCRFV-CVEARBPZSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223023816 856891352 /nfs/dbraw/zinc/89/13/52/856891352.db2.gz PRBBUGBPPKCRFV-CVEARBPZSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C(C)(C)[NH+](C)CC)C[C@@H]21 ZINC001223023816 856891361 /nfs/dbraw/zinc/89/13/61/856891361.db2.gz PRBBUGBPPKCRFV-CVEARBPZSA-N 2 1 350.507 0.942 20 30 FCEDMP C#CCOC[C@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001251842289 857759685 /nfs/dbraw/zinc/75/96/85/857759685.db2.gz AQGQHEJMKSPNMH-GOSISDBHSA-N 2 1 351.491 0.262 20 30 FCEDMP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000292250544 214088405 /nfs/dbraw/zinc/08/84/05/214088405.db2.gz QUUMWRVIJGHDRA-WBVHZDCISA-N 2 1 357.458 0.959 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000481295897 250329992 /nfs/dbraw/zinc/32/99/92/250329992.db2.gz OLQYITBWBSBLKA-HZPDHXFCSA-N 2 1 350.507 0.990 20 30 FCEDMP COc1ccc([N+](=O)[O-])cc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264068763 533219721 /nfs/dbraw/zinc/21/97/21/533219721.db2.gz CMRHLAKUIUZGND-UHFFFAOYSA-N 2 1 351.407 0.730 20 30 FCEDMP CCc1nsc(N2CCN(C(NC[C@@H]3CC[N@@H+](C)C3)=[NH+]C)CC2)n1 ZINC000153163303 229184437 /nfs/dbraw/zinc/18/44/37/229184437.db2.gz UORZJPLGVYOQHY-ZDUSSCGKSA-N 2 1 351.524 0.750 20 30 FCEDMP CNC(=O)[C@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1c1cnn(C)c1 ZINC000329120102 488970916 /nfs/dbraw/zinc/97/09/16/488970916.db2.gz JZRVSMOUAZJIMY-CVEARBPZSA-N 2 1 362.478 0.186 20 30 FCEDMP CNC(=O)[C@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@@H]1c1cnn(C)c1 ZINC000329120102 488970917 /nfs/dbraw/zinc/97/09/17/488970917.db2.gz JZRVSMOUAZJIMY-CVEARBPZSA-N 2 1 362.478 0.186 20 30 FCEDMP COc1ccc(COCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000092854023 488477107 /nfs/dbraw/zinc/47/71/07/488477107.db2.gz IUKKOZDEIFJBJZ-UHFFFAOYSA-N 2 1 350.463 0.838 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCOC2=O)cc1 ZINC000272845821 488610837 /nfs/dbraw/zinc/61/08/37/488610837.db2.gz OZLZMFKYMKCOGY-UHFFFAOYSA-N 2 1 361.446 0.770 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C)C1 ZINC000329298779 488990956 /nfs/dbraw/zinc/99/09/56/488990956.db2.gz UUVLAAMGAIHIJF-IKGGRYGDSA-N 2 1 368.522 0.788 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OC)c(S(N)(=O)=O)c1 ZINC000288709287 489007813 /nfs/dbraw/zinc/00/78/13/489007813.db2.gz KSZFXWBOJWFFJC-CYBMUJFWSA-N 2 1 369.491 0.231 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000329549030 489014940 /nfs/dbraw/zinc/01/49/40/489014940.db2.gz OYXIFSBKWBZMAD-JKSUJKDBSA-N 2 1 354.495 0.400 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000369399381 489232665 /nfs/dbraw/zinc/23/26/65/489232665.db2.gz BUDFCVITFFLQOF-GOSISDBHSA-N 2 1 365.522 0.343 20 30 FCEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000369752927 489270784 /nfs/dbraw/zinc/27/07/84/489270784.db2.gz LTMABUIMJFLLKH-HKUYNNGSSA-N 2 1 374.529 0.923 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)[C@@H](C)CC#N ZINC000509343188 490418251 /nfs/dbraw/zinc/41/82/51/490418251.db2.gz JFKGHORHCSAWLI-JKSUJKDBSA-N 2 1 359.540 0.813 20 30 FCEDMP C[N@@H+]1CCN(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000564862572 491332036 /nfs/dbraw/zinc/33/20/36/491332036.db2.gz DFWHGQZXCFMVID-UHFFFAOYSA-N 2 1 364.515 0.948 20 30 FCEDMP C[N@H+]1CCN(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C ZINC000564862572 491332039 /nfs/dbraw/zinc/33/20/39/491332039.db2.gz DFWHGQZXCFMVID-UHFFFAOYSA-N 2 1 364.515 0.948 20 30 FCEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000569474862 491664722 /nfs/dbraw/zinc/66/47/22/491664722.db2.gz TYYBLHGDIGNDHD-HKUYNNGSSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000569474862 491664723 /nfs/dbraw/zinc/66/47/23/491664723.db2.gz TYYBLHGDIGNDHD-HKUYNNGSSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000591728057 491822602 /nfs/dbraw/zinc/82/26/02/491822602.db2.gz JAUCAYDUOJHGMW-HXUWFJFHSA-N 2 1 359.518 0.730 20 30 FCEDMP C[N@@H+]1CCN(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1(C)C ZINC000583318073 491842151 /nfs/dbraw/zinc/84/21/51/491842151.db2.gz PGCJGNJAUQIYHK-UHFFFAOYSA-N 2 1 365.503 0.343 20 30 FCEDMP C[N@H+]1CCN(CC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1(C)C ZINC000583318073 491842152 /nfs/dbraw/zinc/84/21/52/491842152.db2.gz PGCJGNJAUQIYHK-UHFFFAOYSA-N 2 1 365.503 0.343 20 30 FCEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N[C@@H]1CCc2ncnn2C1 ZINC000262663764 526350197 /nfs/dbraw/zinc/35/01/97/526350197.db2.gz MNIFVAHXYNECOI-QGZVFWFLSA-N 2 1 367.501 0.857 20 30 FCEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000085788170 526354935 /nfs/dbraw/zinc/35/49/35/526354935.db2.gz VFLPOXBRWGNQID-QGZVFWFLSA-N 2 1 365.522 0.759 20 30 FCEDMP C[NH+]=C(NC[C@@]1([NH+](C)C)CCSC1)N1CCN(c2ncccn2)CC1 ZINC000262819252 526374438 /nfs/dbraw/zinc/37/44/38/526374438.db2.gz WPRBHKOXMGRXNI-KRWDZBQOSA-N 2 1 363.535 0.611 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)=[NH+]C)CC1 ZINC000262380451 526395088 /nfs/dbraw/zinc/39/50/88/526395088.db2.gz KJPRWDJHLKTKJA-UAGQMJEPSA-N 2 1 365.522 0.565 20 30 FCEDMP CC(=O)N1CC[NH+](CCOc2ccc(CCNC3=[NH+]CCN3C)cc2)CC1 ZINC000262670492 526629015 /nfs/dbraw/zinc/62/90/15/526629015.db2.gz QQZCAYGDFKJMJY-UHFFFAOYSA-N 2 1 373.501 0.663 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCN(c2ncccn2)CC1 ZINC000264121147 529101016 /nfs/dbraw/zinc/10/10/16/529101016.db2.gz RBEDNRKYFWWQLG-KRWDZBQOSA-N 2 1 374.537 0.377 20 30 FCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264121147 529101021 /nfs/dbraw/zinc/10/10/21/529101021.db2.gz RBEDNRKYFWWQLG-KRWDZBQOSA-N 3 1 374.537 0.377 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000264121147 529101025 /nfs/dbraw/zinc/10/10/25/529101025.db2.gz RBEDNRKYFWWQLG-KRWDZBQOSA-N 3 1 374.537 0.377 20 30 FCEDMP CC[NH+]1CCN(C[C@@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264101833 529146458 /nfs/dbraw/zinc/14/64/58/529146458.db2.gz OKKDOTHVQQZNOD-KRWDZBQOSA-N 2 1 374.537 0.187 20 30 FCEDMP CC[NH+]1CCN(C[C@H](C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000264101834 529147786 /nfs/dbraw/zinc/14/77/86/529147786.db2.gz OKKDOTHVQQZNOD-QGZVFWFLSA-N 2 1 374.537 0.187 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000553328023 547269584 /nfs/dbraw/zinc/26/95/84/547269584.db2.gz BOPQAUHKUUJPFH-INIZCTEOSA-N 2 1 350.507 0.990 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000303895369 674573072 /nfs/dbraw/zinc/57/30/72/674573072.db2.gz PKALWGCZQUBHGN-MRXNPFEDSA-N 2 1 352.527 0.353 20 30 FCEDMP C[NH+](C)CC#CCNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000913519684 666532194 /nfs/dbraw/zinc/53/21/94/666532194.db2.gz KMSYHTQIGPBDRL-UHFFFAOYSA-N 2 1 352.479 0.610 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000804626533 669391164 /nfs/dbraw/zinc/39/11/64/669391164.db2.gz KQQVPBNYBVEITJ-SFHVURJKSA-N 2 1 351.491 0.670 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000804626533 669391170 /nfs/dbraw/zinc/39/11/70/669391170.db2.gz KQQVPBNYBVEITJ-SFHVURJKSA-N 2 1 351.491 0.670 20 30 FCEDMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCCN(O)C3=O)CC2)CC1 ZINC000848133107 671252634 /nfs/dbraw/zinc/25/26/34/671252634.db2.gz SDRZDJOZQOJHQR-MRXNPFEDSA-N 2 1 352.479 0.679 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C)CC1 ZINC000988506000 1192238420 /nfs/dbraw/zinc/23/84/20/1192238420.db2.gz HRKDFWCLAXAXID-NJAFHUGGSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310730 1169884109 /nfs/dbraw/zinc/88/41/09/1169884109.db2.gz FOHYWZWZEVSDBJ-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COCC[NH+](C)C)C1 ZINC001111939714 1181546094 /nfs/dbraw/zinc/54/60/94/1181546094.db2.gz OORFHXWSJMEBLK-BXWFABGCSA-N 2 1 366.506 0.226 20 30 FCEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420158441 1187798548 /nfs/dbraw/zinc/79/85/48/1187798548.db2.gz XVCFSJOCOONSIJ-UHFFFAOYSA-N 2 1 367.400 0.159 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]C[C@H]2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC000983714354 1188281018 /nfs/dbraw/zinc/28/10/18/1188281018.db2.gz QKQGXNFIXQGQQZ-KFGODFMUSA-N 2 1 362.518 0.988 20 30 FCEDMP CCC[N@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3CN(CC#CCOC)C[C@@H]32)C1 ZINC001218509668 1224165225 /nfs/dbraw/zinc/16/52/25/1224165225.db2.gz GEVALSFOCTYDIE-GBESFXJTSA-N 2 1 363.502 0.670 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@@H]3C2)C1=O ZINC001076467108 1194501065 /nfs/dbraw/zinc/50/10/65/1194501065.db2.gz DBOWRTKWFCACHB-GVDBMIGSSA-N 2 1 358.486 0.402 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085229609 1197716337 /nfs/dbraw/zinc/71/63/37/1197716337.db2.gz AWEJOJGTHSHHHX-ZACQAIPSSA-N 2 1 361.490 0.126 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCNC1=O ZINC001085229609 1197716347 /nfs/dbraw/zinc/71/63/47/1197716347.db2.gz AWEJOJGTHSHHHX-ZACQAIPSSA-N 2 1 361.490 0.126 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106249447 1197781090 /nfs/dbraw/zinc/78/10/90/1197781090.db2.gz HZBVMYQELACNKX-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1C ZINC001106248688 1197781943 /nfs/dbraw/zinc/78/19/43/1197781943.db2.gz WHJSHYBKGZSHMJ-FGTMMUONSA-N 2 1 362.518 0.398 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249434 1197781979 /nfs/dbraw/zinc/78/19/79/1197781979.db2.gz HNNUNMUVHXEPKZ-BZUAXINKSA-N 2 1 359.474 0.747 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001106455443 1197936474 /nfs/dbraw/zinc/93/64/74/1197936474.db2.gz UGCGTWOFUZFKME-MJQPBPLVSA-N 2 1 363.502 0.736 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928470 1200614904 /nfs/dbraw/zinc/61/49/04/1200614904.db2.gz XFBFENSLTVRLCR-IKGGRYGDSA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928470 1200614907 /nfs/dbraw/zinc/61/49/07/1200614907.db2.gz XFBFENSLTVRLCR-IKGGRYGDSA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109928470 1200614909 /nfs/dbraw/zinc/61/49/09/1200614909.db2.gz XFBFENSLTVRLCR-IKGGRYGDSA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109928470 1200614911 /nfs/dbraw/zinc/61/49/11/1200614911.db2.gz XFBFENSLTVRLCR-IKGGRYGDSA-N 2 1 363.506 0.812 20 30 FCEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112579347 1200819213 /nfs/dbraw/zinc/81/92/13/1200819213.db2.gz IPEWZEQQRKNUSV-YJBOKZPZSA-N 2 1 358.446 0.050 20 30 FCEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)C1 ZINC001112583529 1200820744 /nfs/dbraw/zinc/82/07/44/1200820744.db2.gz WRPFWPLYLDZJOJ-BJLQDIEVSA-N 2 1 363.502 0.575 20 30 FCEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC#CCOC)C2)C1 ZINC001112583529 1200820747 /nfs/dbraw/zinc/82/07/47/1200820747.db2.gz WRPFWPLYLDZJOJ-BJLQDIEVSA-N 2 1 363.502 0.575 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001130005976 1201475901 /nfs/dbraw/zinc/47/59/01/1201475901.db2.gz NLJMWBMHOYWMIA-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001130007246 1201476727 /nfs/dbraw/zinc/47/67/27/1201476727.db2.gz GIGYTEAYRPUZOG-NXHRZFHOSA-N 2 1 367.457 0.410 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001130232187 1201556926 /nfs/dbraw/zinc/55/69/26/1201556926.db2.gz BXUWHFMCBNZSOH-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC[NH+](C)C)n[nH]1 ZINC001130232187 1201556929 /nfs/dbraw/zinc/55/69/29/1201556929.db2.gz BXUWHFMCBNZSOH-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[NH+](C)C)n1 ZINC001130234651 1201557802 /nfs/dbraw/zinc/55/78/02/1201557802.db2.gz GLRWCKYHPKQMII-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[NH+](C)C)n[nH]1 ZINC001130234651 1201557808 /nfs/dbraw/zinc/55/78/08/1201557808.db2.gz GLRWCKYHPKQMII-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC#CCOC)C1 ZINC001130706668 1202757484 /nfs/dbraw/zinc/75/74/84/1202757484.db2.gz RUJYBAUVMLHESL-FUHWJXTLSA-N 2 1 361.490 0.296 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@H+](C)C3)n2)O1 ZINC001130817122 1202807960 /nfs/dbraw/zinc/80/79/60/1202807960.db2.gz AKJHLOHRXVZKOM-QLFBSQMISA-N 2 1 362.478 0.758 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130817122 1202807962 /nfs/dbraw/zinc/80/79/62/1202807962.db2.gz AKJHLOHRXVZKOM-QLFBSQMISA-N 2 1 362.478 0.758 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130817122 1202807967 /nfs/dbraw/zinc/80/79/67/1202807967.db2.gz AKJHLOHRXVZKOM-QLFBSQMISA-N 2 1 362.478 0.758 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945884 1202827616 /nfs/dbraw/zinc/82/76/16/1202827616.db2.gz FNKVVWUHWAHGLC-JFIYKMOQSA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945884 1202827617 /nfs/dbraw/zinc/82/76/17/1202827617.db2.gz FNKVVWUHWAHGLC-JFIYKMOQSA-N 2 1 361.490 0.601 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1c1cncn1C ZINC001131130360 1202869150 /nfs/dbraw/zinc/86/91/50/1202869150.db2.gz IHFPZVGPSAHASW-IAGOWNOFSA-N 2 1 361.490 0.294 20 30 FCEDMP CC#CCN1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001131316396 1202885416 /nfs/dbraw/zinc/88/54/16/1202885416.db2.gz HMIINNYHVUKMCY-ZACQAIPSSA-N 2 1 362.474 0.457 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134129156 1203014636 /nfs/dbraw/zinc/01/46/36/1203014636.db2.gz AFEWECSSSXHZBE-NXHRZFHOSA-N 2 1 358.486 0.728 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CC2)C1 ZINC001086983026 1204878509 /nfs/dbraw/zinc/87/85/09/1204878509.db2.gz SBDUVFVTUVKBBP-OTWHNJEPSA-N 2 1 355.486 0.812 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC2CC2)C1 ZINC001086983026 1204878510 /nfs/dbraw/zinc/87/85/10/1204878510.db2.gz SBDUVFVTUVKBBP-OTWHNJEPSA-N 2 1 355.486 0.812 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCN2CCCC2=O)C[C@H]1C ZINC001092687793 1205347627 /nfs/dbraw/zinc/34/76/27/1205347627.db2.gz QKVXELORQYEZFM-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCN2CCCC2=O)C[C@H]1C ZINC001092687793 1205347629 /nfs/dbraw/zinc/34/76/29/1205347629.db2.gz QKVXELORQYEZFM-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001092687793 1205347630 /nfs/dbraw/zinc/34/76/30/1205347630.db2.gz QKVXELORQYEZFM-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCN2CCCC2=O)C[C@H]1C ZINC001092687793 1205347631 /nfs/dbraw/zinc/34/76/31/1205347631.db2.gz QKVXELORQYEZFM-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3nccn3C)C[C@H]2C)CC1 ZINC001093221859 1206062125 /nfs/dbraw/zinc/06/21/25/1206062125.db2.gz FPGOBPITYHPWDX-SJLPKXTDSA-N 2 1 357.502 0.949 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3nccn3C)C[C@H]2C)CC1 ZINC001093221859 1206062130 /nfs/dbraw/zinc/06/21/30/1206062130.db2.gz FPGOBPITYHPWDX-SJLPKXTDSA-N 2 1 357.502 0.949 20 30 FCEDMP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093470607 1206086427 /nfs/dbraw/zinc/08/64/27/1206086427.db2.gz XILANEKYHVVVBM-IZBJGVDFSA-N 2 1 365.518 0.861 20 30 FCEDMP N#Cc1ccc(C(=O)N2CCC([NH2+]CCC[NH+](CCO)CCO)CC2)cc1 ZINC001173422502 1206272790 /nfs/dbraw/zinc/27/27/90/1206272790.db2.gz REIIFUFBAQZPLY-UHFFFAOYSA-N 2 1 374.485 0.429 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187952063 1207405797 /nfs/dbraw/zinc/40/57/97/1207405797.db2.gz SYVIETBJGIZQFW-FUHWJXTLSA-N 2 1 361.490 0.794 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188609444 1207466855 /nfs/dbraw/zinc/46/68/55/1207466855.db2.gz BVVXXZVCUCEULZ-KZIZELGASA-N 2 1 359.470 0.032 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001190317655 1207675247 /nfs/dbraw/zinc/67/52/47/1207675247.db2.gz KNSBYRCVCKRTCV-YTQUADARSA-N 2 1 370.497 0.002 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001190317655 1207675250 /nfs/dbraw/zinc/67/52/50/1207675250.db2.gz KNSBYRCVCKRTCV-YTQUADARSA-N 2 1 370.497 0.002 20 30 FCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2cc(C#N)ccc2OC)C[C@H]1O ZINC001197529090 1208170461 /nfs/dbraw/zinc/17/04/61/1208170461.db2.gz YOCDKVXFTJGBER-IAGOWNOFSA-N 2 1 360.458 0.570 20 30 FCEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CN(Cc2ccc(OC)c(C#N)c2)C[C@H]1O ZINC001197528489 1208171002 /nfs/dbraw/zinc/17/10/02/1208171002.db2.gz LMCQJWYKNIZBJO-IAGOWNOFSA-N 2 1 360.458 0.570 20 30 FCEDMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852919613 1209577016 /nfs/dbraw/zinc/57/70/16/1209577016.db2.gz WQAVWCMGYBRSIE-FQEVSTJZSA-N 2 1 354.498 0.922 20 30 FCEDMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852919613 1209577025 /nfs/dbraw/zinc/57/70/25/1209577025.db2.gz WQAVWCMGYBRSIE-FQEVSTJZSA-N 2 1 354.498 0.922 20 30 FCEDMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000863753207 1209949926 /nfs/dbraw/zinc/94/99/26/1209949926.db2.gz ONXQEWKDHMCBLW-HNNXBMFYSA-N 2 1 357.458 0.398 20 30 FCEDMP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000863753207 1209949929 /nfs/dbraw/zinc/94/99/29/1209949929.db2.gz ONXQEWKDHMCBLW-HNNXBMFYSA-N 2 1 357.458 0.398 20 30 FCEDMP C=CCn1cc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275972936 1211319321 /nfs/dbraw/zinc/31/93/21/1211319321.db2.gz IWKLGKGVCCHVDN-LJQANCHMSA-N 2 1 361.490 0.682 20 30 FCEDMP C=CCn1cc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cn1 ZINC001275972936 1211319324 /nfs/dbraw/zinc/31/93/24/1211319324.db2.gz IWKLGKGVCCHVDN-LJQANCHMSA-N 2 1 361.490 0.682 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111218062 1211931797 /nfs/dbraw/zinc/93/17/97/1211931797.db2.gz GEUJRISCSOEPBM-AITUJVMLSA-N 2 1 374.529 0.966 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001111218062 1211931801 /nfs/dbraw/zinc/93/18/01/1211931801.db2.gz GEUJRISCSOEPBM-AITUJVMLSA-N 2 1 374.529 0.966 20 30 FCEDMP CCN(CCC#N)C(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111229111 1211935278 /nfs/dbraw/zinc/93/52/78/1211935278.db2.gz XFBFENSLTVRLCR-ZACQAIPSSA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229111 1211935282 /nfs/dbraw/zinc/93/52/82/1211935282.db2.gz XFBFENSLTVRLCR-ZACQAIPSSA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)CC)C2 ZINC001111229111 1211935287 /nfs/dbraw/zinc/93/52/87/1211935287.db2.gz XFBFENSLTVRLCR-ZACQAIPSSA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001111229111 1211935293 /nfs/dbraw/zinc/93/52/93/1211935293.db2.gz XFBFENSLTVRLCR-ZACQAIPSSA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001111229111 1211935295 /nfs/dbraw/zinc/93/52/95/1211935295.db2.gz XFBFENSLTVRLCR-ZACQAIPSSA-N 2 1 363.506 0.812 20 30 FCEDMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000968962776 1212203052 /nfs/dbraw/zinc/20/30/52/1212203052.db2.gz ODDWYSYRYRNZJG-QRVBRYPASA-N 2 1 363.502 0.860 20 30 FCEDMP C#CCN1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000968962776 1212203058 /nfs/dbraw/zinc/20/30/58/1212203058.db2.gz ODDWYSYRYRNZJG-QRVBRYPASA-N 2 1 363.502 0.860 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001221559875 1225367676 /nfs/dbraw/zinc/36/76/76/1225367676.db2.gz QJGBMJQVCZETKT-SJLPKXTDSA-N 2 1 361.490 0.794 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC000950003487 1212500601 /nfs/dbraw/zinc/50/06/01/1212500601.db2.gz CGYNUHQNWXBILG-BDXSIMOUSA-N 2 1 362.518 0.633 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@H]1C ZINC000950003487 1212500608 /nfs/dbraw/zinc/50/06/08/1212500608.db2.gz CGYNUHQNWXBILG-BDXSIMOUSA-N 2 1 362.518 0.633 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCC[NH+]2CCC(Nc3nccnc3C#N)CC2)CC[N@H+]1C ZINC001111323685 1212643559 /nfs/dbraw/zinc/64/35/59/1212643559.db2.gz PSXYFUVHOJFWLD-GDBMZVCRSA-N 2 1 371.489 0.681 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823496 1225495119 /nfs/dbraw/zinc/49/51/19/1225495119.db2.gz RURALVPXFQFDEH-GUDVDZBRSA-N 2 1 363.502 0.670 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)COC[C@@H](C)[NH+]3CCCC3)[C@@H]2C1 ZINC001221823496 1225495122 /nfs/dbraw/zinc/49/51/22/1225495122.db2.gz RURALVPXFQFDEH-GUDVDZBRSA-N 2 1 363.502 0.670 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799408 1225653876 /nfs/dbraw/zinc/65/38/76/1225653876.db2.gz JEAVWJCLUSDFJG-ZACQAIPSSA-N 2 1 368.497 0.891 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799408 1225653879 /nfs/dbraw/zinc/65/38/79/1225653879.db2.gz JEAVWJCLUSDFJG-ZACQAIPSSA-N 2 1 368.497 0.891 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223116528 1225682144 /nfs/dbraw/zinc/68/21/44/1225682144.db2.gz ZRIZYAVFMQQVQY-QAPCUYQASA-N 2 1 365.437 0.620 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C[C@@H]21 ZINC001223116528 1225682146 /nfs/dbraw/zinc/68/21/46/1225682146.db2.gz ZRIZYAVFMQQVQY-QAPCUYQASA-N 2 1 365.437 0.620 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945594 1216858785 /nfs/dbraw/zinc/85/87/85/1216858785.db2.gz QMVYXLLWHCGAOP-PMPSAXMXSA-N 2 1 355.446 0.970 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCc3[nH+]ccn32)[C@@H](n2ccnn2)C1 ZINC001069945594 1216858788 /nfs/dbraw/zinc/85/87/88/1216858788.db2.gz QMVYXLLWHCGAOP-PMPSAXMXSA-N 2 1 355.446 0.970 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958754 1216867678 /nfs/dbraw/zinc/86/76/78/1216867678.db2.gz LPMDDDYIYLWUNU-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958754 1216867680 /nfs/dbraw/zinc/86/76/80/1216867680.db2.gz LPMDDDYIYLWUNU-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958754 1216867681 /nfs/dbraw/zinc/86/76/81/1216867681.db2.gz LPMDDDYIYLWUNU-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958754 1216867682 /nfs/dbraw/zinc/86/76/82/1216867682.db2.gz LPMDDDYIYLWUNU-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045667 1216921202 /nfs/dbraw/zinc/92/12/02/1216921202.db2.gz NFXLWOGJDFVBBV-KURKYZTESA-N 2 1 358.490 0.907 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@@H](n2ccnn2)C1 ZINC001070045667 1216921205 /nfs/dbraw/zinc/92/12/05/1216921205.db2.gz NFXLWOGJDFVBBV-KURKYZTESA-N 2 1 358.490 0.907 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430787 1225705937 /nfs/dbraw/zinc/70/59/37/1225705937.db2.gz QNCXVLJNOCOUGW-SJORKVTESA-N 2 1 363.506 0.623 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505436 1225711588 /nfs/dbraw/zinc/71/15/88/1225711588.db2.gz BWVXYTNHKVYABQ-SJORKVTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505436 1225711590 /nfs/dbraw/zinc/71/15/90/1225711590.db2.gz BWVXYTNHKVYABQ-SJORKVTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505436 1225711594 /nfs/dbraw/zinc/71/15/94/1225711594.db2.gz BWVXYTNHKVYABQ-SJORKVTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505436 1225711597 /nfs/dbraw/zinc/71/15/97/1225711597.db2.gz BWVXYTNHKVYABQ-SJORKVTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001224233099 1225766415 /nfs/dbraw/zinc/76/64/15/1225766415.db2.gz ISDXVVGLSYMARX-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001224233099 1225766418 /nfs/dbraw/zinc/76/64/18/1225766418.db2.gz ISDXVVGLSYMARX-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224233099 1225766422 /nfs/dbraw/zinc/76/64/22/1225766422.db2.gz ISDXVVGLSYMARX-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224233099 1225766425 /nfs/dbraw/zinc/76/64/25/1225766425.db2.gz ISDXVVGLSYMARX-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048829336 1218324451 /nfs/dbraw/zinc/32/44/51/1218324451.db2.gz NAKARHABPSSGOA-SFFUCWETSA-N 2 1 360.502 0.504 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048829336 1218324456 /nfs/dbraw/zinc/32/44/56/1218324456.db2.gz NAKARHABPSSGOA-SFFUCWETSA-N 2 1 360.502 0.504 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048829336 1218324463 /nfs/dbraw/zinc/32/44/63/1218324463.db2.gz NAKARHABPSSGOA-SFFUCWETSA-N 2 1 360.502 0.504 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001691744693 1218622433 /nfs/dbraw/zinc/62/24/33/1218622433.db2.gz BKWBEMCRNKKIIV-IKGGRYGDSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001691744693 1218622438 /nfs/dbraw/zinc/62/24/38/1218622438.db2.gz BKWBEMCRNKKIIV-IKGGRYGDSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001691744693 1218622443 /nfs/dbraw/zinc/62/24/43/1218622443.db2.gz BKWBEMCRNKKIIV-IKGGRYGDSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001691744693 1218622448 /nfs/dbraw/zinc/62/24/48/1218622448.db2.gz BKWBEMCRNKKIIV-IKGGRYGDSA-N 2 1 363.506 0.669 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001070367281 1219399227 /nfs/dbraw/zinc/39/92/27/1219399227.db2.gz NMOQTKJJLBTKCJ-LMMKCTJWSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001070500854 1219441841 /nfs/dbraw/zinc/44/18/41/1219441841.db2.gz LFOIXJXQBSYDHW-USXIJHARSA-N 2 1 352.442 0.711 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cncn1C ZINC001070655273 1219509720 /nfs/dbraw/zinc/50/97/20/1219509720.db2.gz CYXMJLWQNWRRCJ-KZNAEPCWSA-N 2 1 357.502 0.915 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070720180 1219542197 /nfs/dbraw/zinc/54/21/97/1219542197.db2.gz JWXGUKNAQPAPQQ-NUJGCVRESA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001070720180 1219542198 /nfs/dbraw/zinc/54/21/98/1219542198.db2.gz JWXGUKNAQPAPQQ-NUJGCVRESA-N 2 1 361.490 0.601 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCN(C)C2=O)CC1 ZINC001098461320 1219786780 /nfs/dbraw/zinc/78/67/80/1219786780.db2.gz WHLDECPTJFCTPZ-ZJPYXAASSA-N 2 1 358.486 0.284 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCN(C)C2=O)CC1 ZINC001098461320 1219786783 /nfs/dbraw/zinc/78/67/83/1219786783.db2.gz WHLDECPTJFCTPZ-ZJPYXAASSA-N 2 1 358.486 0.284 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCC2)CC1 ZINC001098462727 1219787455 /nfs/dbraw/zinc/78/74/55/1219787455.db2.gz KAUYFDFLDSEDBH-KURKYZTESA-N 2 1 358.486 0.285 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCC2)CC1 ZINC001098462727 1219787457 /nfs/dbraw/zinc/78/74/57/1219787457.db2.gz KAUYFDFLDSEDBH-KURKYZTESA-N 2 1 358.486 0.285 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001099163527 1219937429 /nfs/dbraw/zinc/93/74/29/1219937429.db2.gz ZBZKXBNCRJTEEN-ZWOKBUDYSA-N 2 1 371.485 0.949 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001099163527 1219937433 /nfs/dbraw/zinc/93/74/33/1219937433.db2.gz ZBZKXBNCRJTEEN-ZWOKBUDYSA-N 2 1 371.485 0.949 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@]2(C)C1 ZINC001101285027 1220266941 /nfs/dbraw/zinc/26/69/41/1220266941.db2.gz LPSJOZXPCYRKNG-QINHECLXSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285027 1220266943 /nfs/dbraw/zinc/26/69/43/1220266943.db2.gz LPSJOZXPCYRKNG-QINHECLXSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)C[C@]2(C)C1 ZINC001101285027 1220266945 /nfs/dbraw/zinc/26/69/45/1220266945.db2.gz LPSJOZXPCYRKNG-QINHECLXSA-N 2 1 362.518 0.635 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981472 1220451834 /nfs/dbraw/zinc/45/18/34/1220451834.db2.gz DONHTGMBBPIZME-IAGOWNOFSA-N 2 1 363.506 0.945 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102150640 1220525828 /nfs/dbraw/zinc/52/58/28/1220525828.db2.gz HARIGTBHASUKHA-GDBMZVCRSA-N 2 1 353.426 0.381 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102150726 1220526814 /nfs/dbraw/zinc/52/68/14/1220526814.db2.gz LSACYXLXFJJYKV-GDBMZVCRSA-N 2 1 355.442 0.934 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285289 1220573527 /nfs/dbraw/zinc/57/35/27/1220573527.db2.gz JCVRVYKXIPXDMI-DJIMGWMZSA-N 2 1 371.485 0.187 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)[C@H](C)C1 ZINC001102285289 1220573532 /nfs/dbraw/zinc/57/35/32/1220573532.db2.gz JCVRVYKXIPXDMI-DJIMGWMZSA-N 2 1 371.485 0.187 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102417103 1220616005 /nfs/dbraw/zinc/61/60/05/1220616005.db2.gz INMKLPRVHGFVIH-HZPDHXFCSA-N 2 1 361.490 0.993 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102417103 1220616012 /nfs/dbraw/zinc/61/60/12/1220616012.db2.gz INMKLPRVHGFVIH-HZPDHXFCSA-N 2 1 361.490 0.993 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C2)C1=O ZINC001102513474 1220672677 /nfs/dbraw/zinc/67/26/77/1220672677.db2.gz MBFJJWNARNPFIS-BRWVUGGUSA-N 2 1 366.506 0.036 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086845 1220831332 /nfs/dbraw/zinc/83/13/32/1220831332.db2.gz SXIVIXOXQOACCC-BRWVUGGUSA-N 2 1 371.485 0.584 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCc3[nH+]ccn32)C1 ZINC001103086845 1220831335 /nfs/dbraw/zinc/83/13/35/1220831335.db2.gz SXIVIXOXQOACCC-BRWVUGGUSA-N 2 1 371.485 0.584 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001103426759 1220880551 /nfs/dbraw/zinc/88/05/51/1220880551.db2.gz MANWPTBVDIXAKG-KZNAEPCWSA-N 2 1 364.534 0.930 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001103438386 1220882250 /nfs/dbraw/zinc/88/22/50/1220882250.db2.gz FGJGRKJALWRKIL-IAGOWNOFSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001103438386 1220882252 /nfs/dbraw/zinc/88/22/52/1220882252.db2.gz FGJGRKJALWRKIL-IAGOWNOFSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC001103438386 1220882255 /nfs/dbraw/zinc/88/22/55/1220882255.db2.gz FGJGRKJALWRKIL-IAGOWNOFSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724740 1220954098 /nfs/dbraw/zinc/95/40/98/1220954098.db2.gz RDIKGSCVUZWPLC-HLLBOEOZSA-N 2 1 359.474 0.404 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724740 1220954102 /nfs/dbraw/zinc/95/41/02/1220954102.db2.gz RDIKGSCVUZWPLC-HLLBOEOZSA-N 2 1 359.474 0.404 20 30 FCEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001103755401 1220966203 /nfs/dbraw/zinc/96/62/03/1220966203.db2.gz GAVJDJMAKDLHPX-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103755401 1220966206 /nfs/dbraw/zinc/96/62/06/1220966206.db2.gz GAVJDJMAKDLHPX-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP CC[NH+]1CCCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103755401 1220966208 /nfs/dbraw/zinc/96/62/08/1220966208.db2.gz GAVJDJMAKDLHPX-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001111851643 1221135597 /nfs/dbraw/zinc/13/55/97/1221135597.db2.gz IKVUHJHOSLRQKW-BOSXTWCSSA-N 2 1 362.518 0.990 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001111917102 1221166992 /nfs/dbraw/zinc/16/69/92/1221166992.db2.gz MFZZQTKANFRPTO-PXNSSMCTSA-N 2 1 363.502 0.718 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001112004549 1221198769 /nfs/dbraw/zinc/19/87/69/1221198769.db2.gz JJSKVCYSIQWVBD-PXNSSMCTSA-N 2 1 360.502 0.583 20 30 FCEDMP COCC[N@@H+](C)CCN1C[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1=O ZINC001120604841 1222108348 /nfs/dbraw/zinc/10/83/48/1222108348.db2.gz XFHXJKOBBWYMLB-ZWKOTPCHSA-N 2 1 360.458 0.360 20 30 FCEDMP CC(C)[NH+]=C(NCC1(O)CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001120770647 1222119814 /nfs/dbraw/zinc/11/98/14/1222119814.db2.gz BGQYDHKZQIVNBQ-QGZVFWFLSA-N 2 1 368.522 0.536 20 30 FCEDMP CC(C)[NH+]=C(NCC1(O)CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001120770646 1222120010 /nfs/dbraw/zinc/12/00/10/1222120010.db2.gz BGQYDHKZQIVNBQ-KRWDZBQOSA-N 2 1 368.522 0.536 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988645 1223503653 /nfs/dbraw/zinc/50/36/53/1223503653.db2.gz SVVQSVOOAUOTPO-CKEIUWERSA-N 2 1 353.426 0.522 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001207988645 1223503656 /nfs/dbraw/zinc/50/36/56/1223503656.db2.gz SVVQSVOOAUOTPO-CKEIUWERSA-N 2 1 353.426 0.522 20 30 FCEDMP C[C@@H]1C[N@H+](CC(=O)NCC#Cc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492003 1223550928 /nfs/dbraw/zinc/55/09/28/1223550928.db2.gz CAWXYFUVEYUBAE-IEBWSBKVSA-N 2 1 370.497 0.543 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#Cc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001208492003 1223550931 /nfs/dbraw/zinc/55/09/31/1223550931.db2.gz CAWXYFUVEYUBAE-IEBWSBKVSA-N 2 1 370.497 0.543 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208706912 1223571634 /nfs/dbraw/zinc/57/16/34/1223571634.db2.gz FGCJGXQLCCPUGE-IXDOHACOSA-N 2 1 366.506 0.226 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001208706912 1223571636 /nfs/dbraw/zinc/57/16/36/1223571636.db2.gz FGCJGXQLCCPUGE-IXDOHACOSA-N 2 1 366.506 0.226 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477964 1223623486 /nfs/dbraw/zinc/62/34/86/1223623486.db2.gz NHRPDEPHMCFZRQ-CRAIPNDOSA-N 2 1 356.470 0.548 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001209477964 1223623489 /nfs/dbraw/zinc/62/34/89/1223623489.db2.gz NHRPDEPHMCFZRQ-CRAIPNDOSA-N 2 1 356.470 0.548 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1C ZINC001214855946 1223948512 /nfs/dbraw/zinc/94/85/12/1223948512.db2.gz SACVCJXLRJWCNH-NXHRZFHOSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216319525 1224043722 /nfs/dbraw/zinc/04/37/22/1224043722.db2.gz AICSUXQVQWEREV-KURKYZTESA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)CC1 ZINC000996548313 1251381285 /nfs/dbraw/zinc/38/12/85/1251381285.db2.gz LRTFSDQRLVQFDH-YRXWBPOGSA-N 2 1 372.513 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997358341 1251558773 /nfs/dbraw/zinc/55/87/73/1251558773.db2.gz YYICQZJBIJGJTO-YRXWBPOGSA-N 2 1 372.513 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001003363704 1252873625 /nfs/dbraw/zinc/87/36/25/1252873625.db2.gz SDKXMVJVMFLLLT-AKHDSKFASA-N 2 1 372.513 0.674 20 30 FCEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328551 1256670817 /nfs/dbraw/zinc/67/08/17/1256670817.db2.gz ZLQLOOGPPWBPLR-QZTJIDSGSA-N 2 1 354.454 0.969 20 30 FCEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001082328551 1256670824 /nfs/dbraw/zinc/67/08/24/1256670824.db2.gz ZLQLOOGPPWBPLR-QZTJIDSGSA-N 2 1 354.454 0.969 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083085092 1257287011 /nfs/dbraw/zinc/28/70/11/1257287011.db2.gz ZLPYRABSOJZSHC-ZWKOTPCHSA-N 2 1 361.490 0.936 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@@H]2O)CC1 ZINC001084089283 1257913140 /nfs/dbraw/zinc/91/31/40/1257913140.db2.gz ANHYZRZXTMPCJE-MOPGFXCFSA-N 2 1 356.470 0.397 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@@H]2O)CC1 ZINC001084089283 1257913149 /nfs/dbraw/zinc/91/31/49/1257913149.db2.gz ANHYZRZXTMPCJE-MOPGFXCFSA-N 2 1 356.470 0.397 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnccc3C)C[C@@H]2O)CC1 ZINC001084089372 1257913348 /nfs/dbraw/zinc/91/33/48/1257913348.db2.gz GGPGUCWCVFMZSU-MOPGFXCFSA-N 2 1 356.470 0.397 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnccc3C)C[C@@H]2O)CC1 ZINC001084089372 1257913349 /nfs/dbraw/zinc/91/33/49/1257913349.db2.gz GGPGUCWCVFMZSU-MOPGFXCFSA-N 2 1 356.470 0.397 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1=O ZINC001085093731 1258588227 /nfs/dbraw/zinc/58/82/27/1258588227.db2.gz ZCKJXJRWDDNRAV-KSZLIROESA-N 2 1 360.502 0.792 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106669141 1258938649 /nfs/dbraw/zinc/93/86/49/1258938649.db2.gz YJKPVDZGVRURHV-BRWVUGGUSA-N 2 1 362.518 0.540 20 30 FCEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106729631 1258949105 /nfs/dbraw/zinc/94/91/05/1258949105.db2.gz VNLGQGQVGRGHKB-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C ZINC001106840542 1258974935 /nfs/dbraw/zinc/97/49/35/1258974935.db2.gz SGOGRYHIFGLVOE-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546706 1259112307 /nfs/dbraw/zinc/11/23/07/1259112307.db2.gz MFXJBSBGSKCZEU-SQGPQFPESA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546706 1259112309 /nfs/dbraw/zinc/11/23/09/1259112309.db2.gz MFXJBSBGSKCZEU-SQGPQFPESA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001107546706 1259112312 /nfs/dbraw/zinc/11/23/12/1259112312.db2.gz MFXJBSBGSKCZEU-SQGPQFPESA-N 2 1 362.518 0.991 20 30 FCEDMP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(Cc3[nH]ccc3C#N)CC2)C1=O ZINC001233045358 1259545941 /nfs/dbraw/zinc/54/59/41/1259545941.db2.gz WCGXAKOBDDNJNF-UHFFFAOYSA-N 2 1 358.490 0.557 20 30 FCEDMP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(Cc3[nH]ccc3C#N)CC2)C1=O ZINC001233045358 1259545946 /nfs/dbraw/zinc/54/59/46/1259545946.db2.gz WCGXAKOBDDNJNF-UHFFFAOYSA-N 2 1 358.490 0.557 20 30 FCEDMP COC(=O)[C@@]12C[C@@H]([NH3+])C[C@@H]1C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C2 ZINC001578843131 1276363541 /nfs/dbraw/zinc/36/35/41/1276363541.db2.gz XBBCINSRINLJSB-JTDSTZFVSA-N 2 1 356.426 0.387 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001588351426 1282446808 /nfs/dbraw/zinc/44/68/08/1282446808.db2.gz UGLJETOQTOWPHI-INIZCTEOSA-N 2 1 371.420 0.309 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001588351426 1282446814 /nfs/dbraw/zinc/44/68/14/1282446814.db2.gz UGLJETOQTOWPHI-INIZCTEOSA-N 2 1 371.420 0.309 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001692185260 1289422262 /nfs/dbraw/zinc/42/22/62/1289422262.db2.gz NLSQJZMKHYWCPO-APWZRJJASA-N 2 1 370.497 0.733 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001692185260 1289422265 /nfs/dbraw/zinc/42/22/65/1289422265.db2.gz NLSQJZMKHYWCPO-APWZRJJASA-N 2 1 370.497 0.733 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+](CCC)CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1=O ZINC001753143054 1290622497 /nfs/dbraw/zinc/62/24/97/1290622497.db2.gz GSBUKMSVHMHZSR-ZACQAIPSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN1CC[C@H]([NH+](CCC)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001753143054 1290622505 /nfs/dbraw/zinc/62/25/05/1290622505.db2.gz GSBUKMSVHMHZSR-ZACQAIPSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN1CC[C@H]([NH+](CCC)CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001753143054 1290622514 /nfs/dbraw/zinc/62/25/14/1290622514.db2.gz GSBUKMSVHMHZSR-ZACQAIPSSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070208899 837634085 /nfs/dbraw/zinc/63/40/85/837634085.db2.gz CSTYSVDZPYXMEU-ILXRZTDVSA-N 2 1 352.870 0.712 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CC[C@@H](C)F)C[C@@H]32)CC1 ZINC001083283783 840868596 /nfs/dbraw/zinc/86/85/96/840868596.db2.gz SZNZKCTVSLHJRM-BPQIPLTHSA-N 2 1 351.466 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001103148257 844708269 /nfs/dbraw/zinc/70/82/69/844708269.db2.gz UCXMODDLUUPDFJ-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001103148257 844708271 /nfs/dbraw/zinc/70/82/71/844708271.db2.gz UCXMODDLUUPDFJ-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001103148257 844708275 /nfs/dbraw/zinc/70/82/75/844708275.db2.gz UCXMODDLUUPDFJ-ZACQAIPSSA-N 2 1 350.507 0.847 20 30 FCEDMP CC(C)[C@H](C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](C)C ZINC001103407638 844752645 /nfs/dbraw/zinc/75/26/45/844752645.db2.gz MTTMBMBMUIHIGO-BFYDXBDKSA-N 2 1 351.495 0.287 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001103435876 844756837 /nfs/dbraw/zinc/75/68/37/844756837.db2.gz CGFXWHBFQUFAFZ-GVDBMIGSSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435876 844756843 /nfs/dbraw/zinc/75/68/43/844756843.db2.gz CGFXWHBFQUFAFZ-GVDBMIGSSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001103435876 844756850 /nfs/dbraw/zinc/75/68/50/844756850.db2.gz CGFXWHBFQUFAFZ-GVDBMIGSSA-N 2 1 350.507 0.705 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612640 844787416 /nfs/dbraw/zinc/78/74/16/844787416.db2.gz NGEDIPBNRDFSRJ-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612640 844787424 /nfs/dbraw/zinc/78/74/24/844787424.db2.gz NGEDIPBNRDFSRJ-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612640 844787429 /nfs/dbraw/zinc/78/74/29/844787429.db2.gz NGEDIPBNRDFSRJ-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672206 845221768 /nfs/dbraw/zinc/22/17/68/845221768.db2.gz KGYBBYXNLVUPDD-HZPDHXFCSA-N 2 1 352.523 0.951 20 30 FCEDMP C=C[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276814215 861622299 /nfs/dbraw/zinc/62/22/99/861622299.db2.gz FLNCMNJAAQVKNY-MJGOQNOKSA-N 2 1 350.507 0.095 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276814215 861622306 /nfs/dbraw/zinc/62/23/06/861622306.db2.gz FLNCMNJAAQVKNY-MJGOQNOKSA-N 2 1 350.507 0.095 20 30 FCEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029686 848796899 /nfs/dbraw/zinc/79/68/99/848796899.db2.gz JJUJGARPBDMEMF-OAGGEKHMSA-N 2 1 352.458 0.876 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129029686 848796909 /nfs/dbraw/zinc/79/69/09/848796909.db2.gz JJUJGARPBDMEMF-OAGGEKHMSA-N 2 1 352.458 0.876 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276391 848825142 /nfs/dbraw/zinc/82/51/42/848825142.db2.gz HVYMVFYYBKVQTQ-PMPSAXMXSA-N 2 1 350.467 0.162 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276391 848825147 /nfs/dbraw/zinc/82/51/47/848825147.db2.gz HVYMVFYYBKVQTQ-PMPSAXMXSA-N 2 1 350.467 0.162 20 30 FCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162319835 850308438 /nfs/dbraw/zinc/30/84/38/850308438.db2.gz CYCPEEHPBOOZKF-IAGOWNOFSA-N 2 1 351.491 0.574 20 30 FCEDMP C#CCC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)(COC)CC1 ZINC001162319835 850308447 /nfs/dbraw/zinc/30/84/47/850308447.db2.gz CYCPEEHPBOOZKF-IAGOWNOFSA-N 2 1 351.491 0.574 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756003 852482858 /nfs/dbraw/zinc/48/28/58/852482858.db2.gz OSJMCPRZTKRMPW-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001193756003 852482864 /nfs/dbraw/zinc/48/28/64/852482864.db2.gz OSJMCPRZTKRMPW-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001193756003 852482871 /nfs/dbraw/zinc/48/28/71/852482871.db2.gz OSJMCPRZTKRMPW-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC001193756003 852482878 /nfs/dbraw/zinc/48/28/78/852482878.db2.gz OSJMCPRZTKRMPW-FGTMMUONSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102424 852537074 /nfs/dbraw/zinc/53/70/74/852537074.db2.gz KRFIAPKOUGDGRE-BRWVUGGUSA-N 2 1 353.507 0.861 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281469 853912812 /nfs/dbraw/zinc/91/28/12/853912812.db2.gz JOCNHYKRTACXHL-BZUAXINKSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001208281469 853912816 /nfs/dbraw/zinc/91/28/16/853912816.db2.gz JOCNHYKRTACXHL-BZUAXINKSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208707083 853967916 /nfs/dbraw/zinc/96/79/16/853967916.db2.gz GTNJALHGEJBCLI-ZACQAIPSSA-N 2 1 350.507 0.964 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208707083 853967920 /nfs/dbraw/zinc/96/79/20/853967920.db2.gz GTNJALHGEJBCLI-ZACQAIPSSA-N 2 1 350.507 0.964 20 30 FCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]2C)C1=O ZINC001214998500 855049605 /nfs/dbraw/zinc/04/96/05/855049605.db2.gz XFRQCIJTSPTIEF-OWCLPIDISA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C)C1=O ZINC001216506399 855209741 /nfs/dbraw/zinc/20/97/41/855209741.db2.gz IIXAKHCWADFDNI-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(C)C[N@H+]1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650505 855458978 /nfs/dbraw/zinc/45/89/78/855458978.db2.gz BYQFKMYTRSAOIZ-OKZBNKHCSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@H]2OCCN(C(=O)COC[C@H](C)[NH+]3CCCC3)[C@H]2C1 ZINC001218650505 855458982 /nfs/dbraw/zinc/45/89/82/855458982.db2.gz BYQFKMYTRSAOIZ-OKZBNKHCSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877543 855857790 /nfs/dbraw/zinc/85/77/90/855857790.db2.gz KRFIAPKOUGDGRE-ZACQAIPSSA-N 2 1 353.507 0.861 20 30 FCEDMP C[N@H+]1CCCN(CCC[NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC001262563466 859000678 /nfs/dbraw/zinc/00/06/78/859000678.db2.gz FUMJDGROFGQXTH-UHFFFAOYSA-N 2 1 365.503 0.344 20 30 FCEDMP CNC(NCCc1ccc(OCC[NH+]2CCN(C(C)=O)CC2)cc1)=[NH+]C ZINC000264251181 529836283 /nfs/dbraw/zinc/83/62/83/529836283.db2.gz HBQUABQNEPMBJH-UHFFFAOYSA-N 2 1 361.490 0.567 20 30 FCEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424142503 247171705 /nfs/dbraw/zinc/17/17/05/247171705.db2.gz YJPMFILDSOHVBT-KRWDZBQOSA-N 2 1 357.458 0.712 20 30 FCEDMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000328710734 488932079 /nfs/dbraw/zinc/93/20/79/488932079.db2.gz MUTHZCGIPKLELC-IRXDYDNUSA-N 2 1 354.495 0.665 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000329130885 488972401 /nfs/dbraw/zinc/97/24/01/488972401.db2.gz OPHVCMSHACWMHC-IBGZPJMESA-N 2 1 366.506 0.877 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](O)(C(=O)N3CCCC3)C2)CC1 ZINC000329130885 488972405 /nfs/dbraw/zinc/97/24/05/488972405.db2.gz OPHVCMSHACWMHC-IBGZPJMESA-N 2 1 366.506 0.877 20 30 FCEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(c2ccccc2F)CC1 ZINC000088663283 488456230 /nfs/dbraw/zinc/45/62/30/488456230.db2.gz XYJNGGFNOBLWIG-INIZCTEOSA-N 2 1 362.497 0.769 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H](C)C1 ZINC000329270980 488988113 /nfs/dbraw/zinc/98/81/13/488988113.db2.gz HUZQAVRZEILUSM-ONIAQPFYSA-N 2 1 368.522 0.665 20 30 FCEDMP C=CCN1CC[C@H]([NH+](C)C/C=C/C[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000281179875 489059342 /nfs/dbraw/zinc/05/93/42/489059342.db2.gz ATKKZGPICQLZBG-VUOWKATKSA-N 2 1 360.502 0.980 20 30 FCEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000331173262 489180877 /nfs/dbraw/zinc/18/08/77/489180877.db2.gz UVUIWKWQDDZHFB-HZPDHXFCSA-N 2 1 353.511 0.915 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000293267474 489183052 /nfs/dbraw/zinc/18/30/52/489183052.db2.gz FLQWDRHNFJMXIE-UHFFFAOYSA-N 2 1 360.458 0.637 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000296306962 489197356 /nfs/dbraw/zinc/19/73/56/489197356.db2.gz GCQYRPYZRPBGPN-SFHVURJKSA-N 2 1 372.517 0.846 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000296306962 489197358 /nfs/dbraw/zinc/19/73/58/489197358.db2.gz GCQYRPYZRPBGPN-SFHVURJKSA-N 2 1 372.517 0.846 20 30 FCEDMP C[C@H]1CN(c2nccnc2C#N)CCN1CCC(=O)N1CCN(C)CC1 ZINC000283102940 489215502 /nfs/dbraw/zinc/21/55/02/489215502.db2.gz LXZASAYEFNUESQ-HNNXBMFYSA-N 2 1 357.462 0.023 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908162 489727690 /nfs/dbraw/zinc/72/76/90/489727690.db2.gz VOCUIHCTYNPDKM-HOTGVXAUSA-N 2 1 351.495 0.487 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908162 489727692 /nfs/dbraw/zinc/72/76/92/489727692.db2.gz VOCUIHCTYNPDKM-HOTGVXAUSA-N 2 1 351.495 0.487 20 30 FCEDMP CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507427994 490221860 /nfs/dbraw/zinc/22/18/60/490221860.db2.gz YVCXQCMTMKIWQH-HNAYVOBHSA-N 2 1 365.522 0.819 20 30 FCEDMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423030700 490524767 /nfs/dbraw/zinc/52/47/67/490524767.db2.gz CILOREJKOSBNJB-SFHVURJKSA-N 2 1 369.469 0.413 20 30 FCEDMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423030700 490524771 /nfs/dbraw/zinc/52/47/71/490524771.db2.gz CILOREJKOSBNJB-SFHVURJKSA-N 2 1 369.469 0.413 20 30 FCEDMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C#N)CC1 ZINC000530232314 490894737 /nfs/dbraw/zinc/89/47/37/490894737.db2.gz XXMXWFWTTMJDLX-SFHVURJKSA-N 2 1 374.485 0.830 20 30 FCEDMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000567880093 491537382 /nfs/dbraw/zinc/53/73/82/491537382.db2.gz BQPQQRKRJNRVSC-JKSUJKDBSA-N 2 1 371.485 0.835 20 30 FCEDMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000567880093 491537384 /nfs/dbraw/zinc/53/73/84/491537384.db2.gz BQPQQRKRJNRVSC-JKSUJKDBSA-N 2 1 371.485 0.835 20 30 FCEDMP C[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179085699 526355549 /nfs/dbraw/zinc/35/55/49/526355549.db2.gz GZXLXGPLKNFAAG-KRWDZBQOSA-N 2 1 367.538 0.327 20 30 FCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N1CCN(c2ncccn2)CC1 ZINC000262819254 526378315 /nfs/dbraw/zinc/37/83/15/526378315.db2.gz WPRBHKOXMGRXNI-QGZVFWFLSA-N 2 1 363.535 0.611 20 30 FCEDMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261733897 526383690 /nfs/dbraw/zinc/38/36/90/526383690.db2.gz JTQLGKKBUSJKDS-ZWNOBZJWSA-N 2 1 371.532 0.543 20 30 FCEDMP C[NH+]=C(NCc1sc(C)nc1C)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000262670244 526393474 /nfs/dbraw/zinc/39/34/74/526393474.db2.gz PCOWMMAEOGAWMF-UHFFFAOYSA-N 2 1 366.535 0.978 20 30 FCEDMP CNC(=O)C[NH+]1CCC(NC(N[C@@H]2C[C@@](C)(OC)C2(C)C)=[NH+]C)CC1 ZINC000262441780 526394456 /nfs/dbraw/zinc/39/44/56/526394456.db2.gz UQRJAEGAZCGYNS-RDTXWAMCSA-N 2 1 353.511 0.565 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000413239901 526585125 /nfs/dbraw/zinc/58/51/25/526585125.db2.gz MPEAWWSRZGQIMH-HNNXBMFYSA-N 2 1 352.479 0.773 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000108932036 526923934 /nfs/dbraw/zinc/92/39/34/526923934.db2.gz ZEMSPYVKVCFXNN-UHFFFAOYSA-N 2 1 370.501 0.450 20 30 FCEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262418652 528815815 /nfs/dbraw/zinc/81/58/15/528815815.db2.gz QOWDZLLJKNJZDY-NVXWUHKLSA-N 2 1 356.536 0.474 20 30 FCEDMP CC[NH+]=C(NC[C@]1(O)CCSC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262418650 528816458 /nfs/dbraw/zinc/81/64/58/528816458.db2.gz QOWDZLLJKNJZDY-DOTOQJQBSA-N 2 1 356.536 0.474 20 30 FCEDMP CC[NH+]=C(NCc1nnc2n1CCC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261653003 528820282 /nfs/dbraw/zinc/82/02/82/528820282.db2.gz FFDMQWPVPQYORO-OAHLLOKOSA-N 2 1 361.494 0.344 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264119535 529100887 /nfs/dbraw/zinc/10/08/87/529100887.db2.gz ULPXZIXJUOCTLQ-IBGZPJMESA-N 4 1 373.549 0.982 20 30 FCEDMP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264119535 529100890 /nfs/dbraw/zinc/10/08/90/529100890.db2.gz ULPXZIXJUOCTLQ-IBGZPJMESA-N 3 1 373.549 0.982 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264119535 529100893 /nfs/dbraw/zinc/10/08/93/529100893.db2.gz ULPXZIXJUOCTLQ-IBGZPJMESA-N 3 1 373.549 0.982 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000553328024 547269968 /nfs/dbraw/zinc/26/99/68/547269968.db2.gz BOPQAUHKUUJPFH-MRXNPFEDSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583371 676025203 /nfs/dbraw/zinc/02/52/03/676025203.db2.gz LEJHFSXIKACOOF-NVXWUHKLSA-N 2 1 350.507 0.990 20 30 FCEDMP C#CCC1([NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCOCC1 ZINC000887125829 673622696 /nfs/dbraw/zinc/62/26/96/673622696.db2.gz LOHPDHJBWFCXDS-QGZVFWFLSA-N 2 1 351.491 0.622 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001691226017 1170871129 /nfs/dbraw/zinc/87/11/29/1170871129.db2.gz KAEZQVKPWRLPJA-VVLHAWIVSA-N 2 1 350.507 0.893 20 30 FCEDMP C#CCNC(=O)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001691394709 1171259237 /nfs/dbraw/zinc/25/92/37/1171259237.db2.gz MKWUWKQBXUIRON-KURKYZTESA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21 ZINC000972834618 1180878723 /nfs/dbraw/zinc/87/87/23/1180878723.db2.gz BZONKBMNPZDAOU-VSZNYVQBSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]21 ZINC000972834618 1180878724 /nfs/dbraw/zinc/87/87/24/1180878724.db2.gz BZONKBMNPZDAOU-VSZNYVQBSA-N 2 1 360.502 0.484 20 30 FCEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268579 1183167050 /nfs/dbraw/zinc/16/70/50/1183167050.db2.gz UAIBZAHYMPCVLC-RHSMWYFYSA-N 2 1 362.478 0.436 20 30 FCEDMP C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268579 1183167052 /nfs/dbraw/zinc/16/70/52/1183167052.db2.gz UAIBZAHYMPCVLC-RHSMWYFYSA-N 2 1 362.478 0.436 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218354313 1224155439 /nfs/dbraw/zinc/15/54/39/1224155439.db2.gz BHWXQRGZOBRGFW-IPMKNSEASA-N 2 1 363.502 0.975 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)[C@H]2C1 ZINC001218354313 1224155440 /nfs/dbraw/zinc/15/54/40/1224155440.db2.gz BHWXQRGZOBRGFW-IPMKNSEASA-N 2 1 363.502 0.975 20 30 FCEDMP C[NH+]1CCN(c2cc(NC(=O)[C@@H]([NH3+])Cc3ccccc3C#N)ncn2)CC1 ZINC001218572161 1224176032 /nfs/dbraw/zinc/17/60/32/1224176032.db2.gz FTLDBMXRCNNPQJ-INIZCTEOSA-N 2 1 365.441 0.609 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCc4ccnn4C)C[C@H]32)CC1 ZINC001076604940 1194593650 /nfs/dbraw/zinc/59/36/50/1194593650.db2.gz YZMBFSSGZXRITP-AZUAARDMSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC001076605719 1194593725 /nfs/dbraw/zinc/59/37/25/1194593725.db2.gz PCTVKQDNBKOOBX-BPQIPLTHSA-N 2 1 360.502 0.341 20 30 FCEDMP N#Cc1ccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001077007295 1195141021 /nfs/dbraw/zinc/14/10/21/1195141021.db2.gz HURSRDRLNLIZET-IPMKNSEASA-N 2 1 354.454 0.561 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001077007295 1195141026 /nfs/dbraw/zinc/14/10/26/1195141026.db2.gz HURSRDRLNLIZET-IPMKNSEASA-N 2 1 354.454 0.561 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105945467 1196750326 /nfs/dbraw/zinc/75/03/26/1196750326.db2.gz YJVKTTCICMGEDZ-ZACQAIPSSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC001085230212 1197718266 /nfs/dbraw/zinc/71/82/66/1197718266.db2.gz JDDYCHCPJSKPEV-KURKYZTESA-N 2 1 360.502 0.723 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC001085230212 1197718287 /nfs/dbraw/zinc/71/82/87/1197718287.db2.gz JDDYCHCPJSKPEV-KURKYZTESA-N 2 1 360.502 0.723 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106246516 1197780530 /nfs/dbraw/zinc/78/05/30/1197780530.db2.gz MPKNARGHNXNYTK-KURKYZTESA-N 2 1 363.506 0.700 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@H]1C ZINC001106357678 1197875910 /nfs/dbraw/zinc/87/59/10/1197875910.db2.gz JARRBEJRUKFXAS-KURKYZTESA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442902 1200287981 /nfs/dbraw/zinc/28/79/81/1200287981.db2.gz LPSXGKHDKCSEBX-MHORFTMASA-N 2 1 372.513 0.722 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001109442902 1200287987 /nfs/dbraw/zinc/28/79/87/1200287987.db2.gz LPSXGKHDKCSEBX-MHORFTMASA-N 2 1 372.513 0.722 20 30 FCEDMP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1 ZINC001219766132 1224602690 /nfs/dbraw/zinc/60/26/90/1224602690.db2.gz MPKIFLFWRUDNIF-HYEGPXJVSA-N 2 1 353.470 0.271 20 30 FCEDMP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001219766132 1224602694 /nfs/dbraw/zinc/60/26/94/1224602694.db2.gz MPKIFLFWRUDNIF-HYEGPXJVSA-N 2 1 353.470 0.271 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109467038 1200305571 /nfs/dbraw/zinc/30/55/71/1200305571.db2.gz IYUGOWSTYZQDFD-SQNIBIBYSA-N 2 1 371.485 0.932 20 30 FCEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN(C)c1cc[nH+]cc1)C2 ZINC001109467038 1200305576 /nfs/dbraw/zinc/30/55/76/1200305576.db2.gz IYUGOWSTYZQDFD-SQNIBIBYSA-N 2 1 371.485 0.932 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799301 1200523986 /nfs/dbraw/zinc/52/39/86/1200523986.db2.gz SEXVVNQTNRPUTG-RANZSIQMSA-N 2 1 360.502 0.578 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799301 1200523995 /nfs/dbraw/zinc/52/39/95/1200523995.db2.gz SEXVVNQTNRPUTG-RANZSIQMSA-N 2 1 360.502 0.578 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129396396 1201295088 /nfs/dbraw/zinc/29/50/88/1201295088.db2.gz BDFSRYFJWGPDIL-SJORKVTESA-N 2 1 364.494 0.554 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CCc2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129412133 1201300236 /nfs/dbraw/zinc/30/02/36/1201300236.db2.gz JMPPPLJXWHTJDQ-SJORKVTESA-N 2 1 357.462 0.952 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCC)[C@@H](n2ccnn2)C1 ZINC001129897863 1201432298 /nfs/dbraw/zinc/43/22/98/1201432298.db2.gz KTXWNLGKYGRXHA-SQNIBIBYSA-N 2 1 358.490 0.907 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCCC)[C@@H](n2ccnn2)C1 ZINC001129897863 1201432300 /nfs/dbraw/zinc/43/23/00/1201432300.db2.gz KTXWNLGKYGRXHA-SQNIBIBYSA-N 2 1 358.490 0.907 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001129982631 1201462410 /nfs/dbraw/zinc/46/24/10/1201462410.db2.gz GKIGQMMDOSIGQZ-JQHSSLGASA-N 2 1 369.473 0.963 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132788 1201512564 /nfs/dbraw/zinc/51/25/64/1201512564.db2.gz PESGDMNENDHIOE-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001130132788 1201512574 /nfs/dbraw/zinc/51/25/74/1201512574.db2.gz PESGDMNENDHIOE-IXDOHACOSA-N 2 1 362.478 0.307 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140011 1201516198 /nfs/dbraw/zinc/51/61/98/1201516198.db2.gz MHXWPZHUZFFKKE-CEXWTWQISA-N 2 1 366.469 0.946 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCC[NH+](C)C)[nH]1 ZINC001130232398 1201557106 /nfs/dbraw/zinc/55/71/06/1201557106.db2.gz GDKMRDDLVQBDOE-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)[nH]1 ZINC001130233112 1201558076 /nfs/dbraw/zinc/55/80/76/1201558076.db2.gz YMBIUDVRMXFUOU-OFQRWUPVSA-N 2 1 364.494 0.655 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C(C)(C)[N@H+](C)CC)CC1 ZINC001130292776 1201578966 /nfs/dbraw/zinc/57/89/66/1201578966.db2.gz AVBKNBLZUWZSSV-AEFFLSMTSA-N 2 1 362.518 0.825 20 30 FCEDMP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001130306858 1201581804 /nfs/dbraw/zinc/58/18/04/1201581804.db2.gz BAJCQACGANULMC-XLIONFOSSA-N 2 1 362.518 0.825 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615500 1202733254 /nfs/dbraw/zinc/73/32/54/1202733254.db2.gz SNDFHMFVPHDMRM-CYGHRXIMSA-N 2 1 361.490 0.599 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615500 1202733257 /nfs/dbraw/zinc/73/32/57/1202733257.db2.gz SNDFHMFVPHDMRM-CYGHRXIMSA-N 2 1 361.490 0.599 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1c1cn(C)cn1 ZINC001130626294 1202735481 /nfs/dbraw/zinc/73/54/81/1202735481.db2.gz HLPUKMMBXSYVQO-FUHWJXTLSA-N 2 1 370.457 0.159 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731451 1202772078 /nfs/dbraw/zinc/77/20/78/1202772078.db2.gz DVMYBPGELRDOII-CGTJXYLNSA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731451 1202772079 /nfs/dbraw/zinc/77/20/79/1202772079.db2.gz DVMYBPGELRDOII-CGTJXYLNSA-N 2 1 359.474 0.048 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)n2)O1 ZINC001130783424 1202794375 /nfs/dbraw/zinc/79/43/75/1202794375.db2.gz XKRGMLMVMRVMDD-CAOSSQGBSA-N 2 1 374.489 0.594 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001131464456 1202900118 /nfs/dbraw/zinc/90/01/18/1202900118.db2.gz RVIQOJFZBBAZPM-QYZOEREBSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC001086720675 1203019197 /nfs/dbraw/zinc/01/91/97/1203019197.db2.gz IFSZLRRRUFEVOZ-JZXOWHBKSA-N 2 1 358.490 0.770 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC001086720675 1203019201 /nfs/dbraw/zinc/01/92/01/1203019201.db2.gz IFSZLRRRUFEVOZ-JZXOWHBKSA-N 2 1 358.490 0.770 20 30 FCEDMP C#CCC[NH+]1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC1 ZINC000845360447 1204494171 /nfs/dbraw/zinc/49/41/71/1204494171.db2.gz DHLLLHYAQORCBC-INIZCTEOSA-N 2 1 366.506 0.999 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2C)CC1 ZINC001093222249 1206061981 /nfs/dbraw/zinc/06/19/81/1206061981.db2.gz JTQHVRSGRNYKGC-VQIMIIECSA-N 2 1 357.502 0.949 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+]([C@H](C)C(=O)N(C)C)C[C@H]2C)CC1 ZINC001093223597 1206062246 /nfs/dbraw/zinc/06/22/46/1206062246.db2.gz CDRLISRKLDZBLB-JFIYKMOQSA-N 2 1 362.518 0.492 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)NCCC)CC1 ZINC001110151889 1206170376 /nfs/dbraw/zinc/17/03/76/1206170376.db2.gz CPXMUWXKTHHUMP-NQYYFHDYSA-N 2 1 374.529 0.968 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)NCCC)CC1 ZINC001110151889 1206170377 /nfs/dbraw/zinc/17/03/77/1206170377.db2.gz CPXMUWXKTHHUMP-NQYYFHDYSA-N 2 1 374.529 0.968 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCn1cncn1)CC2 ZINC001094436395 1206226502 /nfs/dbraw/zinc/22/65/02/1206226502.db2.gz PSFVQDQBFMBPBV-NLWGTHIKSA-N 2 1 370.501 0.737 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCn1cncn1)CC2 ZINC001094436395 1206226505 /nfs/dbraw/zinc/22/65/05/1206226505.db2.gz PSFVQDQBFMBPBV-NLWGTHIKSA-N 2 1 370.501 0.737 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCn1cncn1)CC2 ZINC001094436395 1206226508 /nfs/dbraw/zinc/22/65/08/1206226508.db2.gz PSFVQDQBFMBPBV-NLWGTHIKSA-N 2 1 370.501 0.737 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCn1cncn1)CC2 ZINC001094436395 1206226512 /nfs/dbraw/zinc/22/65/12/1206226512.db2.gz PSFVQDQBFMBPBV-NLWGTHIKSA-N 2 1 370.501 0.737 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001188348537 1207449585 /nfs/dbraw/zinc/44/95/85/1207449585.db2.gz CYRASCRJZSVIAT-QWQRMKEZSA-N 2 1 365.437 0.847 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3cc4c[nH]ccc-4n3)[C@@H]2C1 ZINC001188348537 1207449586 /nfs/dbraw/zinc/44/95/86/1207449586.db2.gz CYRASCRJZSVIAT-QWQRMKEZSA-N 2 1 365.437 0.847 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC=C)C[C@H]32)CC1 ZINC001190325486 1207676087 /nfs/dbraw/zinc/67/60/87/1207676087.db2.gz WJKGZRYIMJNMSR-ZWKOTPCHSA-N 2 1 358.486 0.167 20 30 FCEDMP COc1ccc(C#N)cc1CN1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199104436 1208318491 /nfs/dbraw/zinc/31/84/91/1208318491.db2.gz MMGVBPQXSNYCDH-IAGOWNOFSA-N 2 1 360.458 0.568 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000882628967 1210630216 /nfs/dbraw/zinc/63/02/16/1210630216.db2.gz CFTMKSPUMGTJLT-IBGZPJMESA-N 2 1 362.518 0.244 20 30 FCEDMP C#CCN1CCC[C@@H](NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000890362230 1210974967 /nfs/dbraw/zinc/97/49/67/1210974967.db2.gz ALFXWBGKDVXIBV-WOJBJXKFSA-N 2 1 370.497 0.802 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000890362230 1210974970 /nfs/dbraw/zinc/97/49/70/1210974970.db2.gz ALFXWBGKDVXIBV-WOJBJXKFSA-N 2 1 370.497 0.802 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000890362230 1210974971 /nfs/dbraw/zinc/97/49/71/1210974971.db2.gz ALFXWBGKDVXIBV-WOJBJXKFSA-N 2 1 370.497 0.802 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000890362230 1210974978 /nfs/dbraw/zinc/97/49/78/1210974978.db2.gz ALFXWBGKDVXIBV-WOJBJXKFSA-N 2 1 370.497 0.802 20 30 FCEDMP C#CCN1CC[C@@]2(CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)s3)C2)C1=O ZINC001275515534 1211253150 /nfs/dbraw/zinc/25/31/50/1211253150.db2.gz NOEMFXZYSTUBHO-LJQANCHMSA-N 2 1 373.526 0.953 20 30 FCEDMP C#CCN1CC[C@@]2(CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)s3)C2)C1=O ZINC001275515534 1211253153 /nfs/dbraw/zinc/25/31/53/1211253153.db2.gz NOEMFXZYSTUBHO-LJQANCHMSA-N 2 1 373.526 0.953 20 30 FCEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000931872787 1211776380 /nfs/dbraw/zinc/77/63/80/1211776380.db2.gz QUQXPMNBQNGMFD-KRWDZBQOSA-N 2 1 357.458 0.269 20 30 FCEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000931872787 1211776384 /nfs/dbraw/zinc/77/63/84/1211776384.db2.gz QUQXPMNBQNGMFD-KRWDZBQOSA-N 2 1 357.458 0.269 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935326650 1211876084 /nfs/dbraw/zinc/87/60/84/1211876084.db2.gz JDUVSWYQEUZLPE-ROUUACIJSA-N 2 1 362.518 0.968 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000935326648 1211876199 /nfs/dbraw/zinc/87/61/99/1211876199.db2.gz JDUVSWYQEUZLPE-QZTJIDSGSA-N 2 1 362.518 0.968 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000949862252 1212474312 /nfs/dbraw/zinc/47/43/12/1212474312.db2.gz RAKSVQZHCIUIQN-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)CC1 ZINC000952409991 1212948441 /nfs/dbraw/zinc/94/84/41/1212948441.db2.gz HWDMKLLYZCTYNH-CRAIPNDOSA-N 2 1 371.485 0.500 20 30 FCEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276339149 1213419235 /nfs/dbraw/zinc/41/92/35/1213419235.db2.gz OYSVMCLGBZGVNN-HXUWFJFHSA-N 2 1 364.534 0.893 20 30 FCEDMP C=CCCC[N@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276339149 1213419236 /nfs/dbraw/zinc/41/92/36/1213419236.db2.gz OYSVMCLGBZGVNN-HXUWFJFHSA-N 2 1 364.534 0.893 20 30 FCEDMP C=CCCC[N@@H+]1CC[C@@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276339149 1213419237 /nfs/dbraw/zinc/41/92/37/1213419237.db2.gz OYSVMCLGBZGVNN-HXUWFJFHSA-N 2 1 364.534 0.893 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701541 1225448007 /nfs/dbraw/zinc/44/80/07/1225448007.db2.gz SYBMHJFQJPOTIL-MOXMWUHRSA-N 2 1 359.470 0.032 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701541 1225448011 /nfs/dbraw/zinc/44/80/11/1225448011.db2.gz SYBMHJFQJPOTIL-MOXMWUHRSA-N 2 1 359.470 0.032 20 30 FCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701541 1225448016 /nfs/dbraw/zinc/44/80/16/1225448016.db2.gz SYBMHJFQJPOTIL-MOXMWUHRSA-N 2 1 359.470 0.032 20 30 FCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701541 1225448019 /nfs/dbraw/zinc/44/80/19/1225448019.db2.gz SYBMHJFQJPOTIL-MOXMWUHRSA-N 2 1 359.470 0.032 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC001011209700 1213849879 /nfs/dbraw/zinc/84/98/79/1213849879.db2.gz PCMCXKRDSWRUJD-SJLPKXTDSA-N 2 1 360.502 0.343 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221849137 1225505536 /nfs/dbraw/zinc/50/55/36/1225505536.db2.gz YCVJFWQPXRFQLK-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221849137 1225505540 /nfs/dbraw/zinc/50/55/40/1225505540.db2.gz YCVJFWQPXRFQLK-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799407 1225654522 /nfs/dbraw/zinc/65/45/22/1225654522.db2.gz JEAVWJCLUSDFJG-IKGGRYGDSA-N 2 1 368.497 0.891 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@@H]21 ZINC001222799407 1225654527 /nfs/dbraw/zinc/65/45/27/1225654527.db2.gz JEAVWJCLUSDFJG-IKGGRYGDSA-N 2 1 368.497 0.891 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CCOCCO)[C@H]3C2)CC1 ZINC001224227396 1225767078 /nfs/dbraw/zinc/76/70/78/1225767078.db2.gz JWIKVIAJCPZSRO-MJGOQNOKSA-N 2 1 363.502 0.263 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001047385813 1218137232 /nfs/dbraw/zinc/13/72/32/1218137232.db2.gz BTUVUELIURADIY-OAOYMFHYSA-N 2 1 356.470 0.902 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[N@H+]1C ZINC001047385813 1218137237 /nfs/dbraw/zinc/13/72/37/1218137237.db2.gz BTUVUELIURADIY-OAOYMFHYSA-N 2 1 356.470 0.902 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001047385813 1218137238 /nfs/dbraw/zinc/13/72/38/1218137238.db2.gz BTUVUELIURADIY-OAOYMFHYSA-N 2 1 356.470 0.902 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N(C)[C@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001047385813 1218137242 /nfs/dbraw/zinc/13/72/42/1218137242.db2.gz BTUVUELIURADIY-OAOYMFHYSA-N 2 1 356.470 0.902 20 30 FCEDMP C=CCOCC(=O)NC1CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055583623 1219088720 /nfs/dbraw/zinc/08/87/20/1219088720.db2.gz VSZXWEATIYDKBJ-NVXWUHKLSA-N 2 1 366.506 0.226 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001070372252 1219402200 /nfs/dbraw/zinc/40/22/00/1219402200.db2.gz ZEKYYBJSUDHOAB-XFKSJGNHSA-N 2 1 374.529 0.825 20 30 FCEDMP C#CCCC[N@@H+]1CC[C@]2(C1)CN(CCCN1CC[NH+](C)CC1)C(=O)CO2 ZINC001276384221 1219411710 /nfs/dbraw/zinc/41/17/10/1219411710.db2.gz LPSRYWBKPVDJNR-FQEVSTJZSA-N 2 1 362.518 0.341 20 30 FCEDMP C#CCCC[N@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276384221 1219411712 /nfs/dbraw/zinc/41/17/12/1219411712.db2.gz LPSRYWBKPVDJNR-FQEVSTJZSA-N 2 1 362.518 0.341 20 30 FCEDMP C#CCCC[N@@H+]1CC[C@]2(C1)CN(CCC[NH+]1CCN(C)CC1)C(=O)CO2 ZINC001276384221 1219411715 /nfs/dbraw/zinc/41/17/15/1219411715.db2.gz LPSRYWBKPVDJNR-FQEVSTJZSA-N 2 1 362.518 0.341 20 30 FCEDMP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001228136829 1225896386 /nfs/dbraw/zinc/89/63/86/1225896386.db2.gz BYGUWZSYMRXJAR-GVDBMIGSSA-N 2 1 363.506 0.765 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cncn1C ZINC001070696491 1219530109 /nfs/dbraw/zinc/53/01/09/1219530109.db2.gz VVYCSOFEOBFRPQ-HZPDHXFCSA-N 2 1 354.458 0.957 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)N(C)C)CC1 ZINC001098460929 1219787034 /nfs/dbraw/zinc/78/70/34/1219787034.db2.gz MOFOOMUDLYAZIF-DDBAPUKQSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)N(C)C)CC1 ZINC001098460929 1219787037 /nfs/dbraw/zinc/78/70/37/1219787037.db2.gz MOFOOMUDLYAZIF-DDBAPUKQSA-N 2 1 360.502 0.530 20 30 FCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231073 1220237044 /nfs/dbraw/zinc/23/70/44/1220237044.db2.gz RMIJSYXWALHSRF-MDZRGWNJSA-N 2 1 361.490 0.279 20 30 FCEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231073 1220237049 /nfs/dbraw/zinc/23/70/49/1220237049.db2.gz RMIJSYXWALHSRF-MDZRGWNJSA-N 2 1 361.490 0.279 20 30 FCEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231073 1220237054 /nfs/dbraw/zinc/23/70/54/1220237054.db2.gz RMIJSYXWALHSRF-MDZRGWNJSA-N 2 1 361.490 0.279 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231073 1220237059 /nfs/dbraw/zinc/23/70/59/1220237059.db2.gz RMIJSYXWALHSRF-MDZRGWNJSA-N 2 1 361.490 0.279 20 30 FCEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231073 1220237062 /nfs/dbraw/zinc/23/70/62/1220237062.db2.gz RMIJSYXWALHSRF-MDZRGWNJSA-N 2 1 361.490 0.279 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101267701 1220256586 /nfs/dbraw/zinc/25/65/86/1220256586.db2.gz PKJXZYLUAVYEPY-MDZRGWNJSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377265 1220599637 /nfs/dbraw/zinc/59/96/37/1220599637.db2.gz WRMAICGCNQNTOV-IXDOHACOSA-N 2 1 364.534 0.786 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377265 1220599640 /nfs/dbraw/zinc/59/96/40/1220599640.db2.gz WRMAICGCNQNTOV-IXDOHACOSA-N 2 1 364.534 0.786 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001102377265 1220599644 /nfs/dbraw/zinc/59/96/44/1220599644.db2.gz WRMAICGCNQNTOV-IXDOHACOSA-N 2 1 364.534 0.786 20 30 FCEDMP C[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102428784 1220622291 /nfs/dbraw/zinc/62/22/91/1220622291.db2.gz SCVBZVZRIINDTF-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234210 1220854599 /nfs/dbraw/zinc/85/45/99/1220854599.db2.gz GPUWRBMLIQORDS-DJIMGWMZSA-N 2 1 359.474 0.404 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234210 1220854601 /nfs/dbraw/zinc/85/46/01/1220854601.db2.gz GPUWRBMLIQORDS-DJIMGWMZSA-N 2 1 359.474 0.404 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@H]2C)CC1 ZINC001103752415 1220964874 /nfs/dbraw/zinc/96/48/74/1220964874.db2.gz DRQPIKYIFWMINK-NXHRZFHOSA-N 2 1 362.518 0.670 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111947486 1221181497 /nfs/dbraw/zinc/18/14/97/1221181497.db2.gz LIHOKVZXRMGZOM-UWVAXJGDSA-N 2 1 362.518 0.827 20 30 FCEDMP C(=[NH+]NCCC[NH+]1CCOCC1)c1c(N2CCOCC2)nc2ccccn21 ZINC000799490886 1221311049 /nfs/dbraw/zinc/31/10/49/1221311049.db2.gz YBYCMUQBEGCPHB-UHFFFAOYSA-N 2 1 372.473 0.817 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001230284599 1226071516 /nfs/dbraw/zinc/07/15/16/1226071516.db2.gz MVDIZBRFJQBVDB-HUUCEWRRSA-N 2 1 367.494 0.355 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[C@H](C[NH+]4CCOCC4)C3)n2C)CC1 ZINC001121421897 1222176500 /nfs/dbraw/zinc/17/65/00/1222176500.db2.gz BYVUIWZWSGFJRG-QGZVFWFLSA-N 2 1 372.517 0.786 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158412559 1223097438 /nfs/dbraw/zinc/09/74/38/1223097438.db2.gz PBUNMKJQXHYLGN-QLFBSQMISA-N 2 1 367.494 0.213 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175275 1223148172 /nfs/dbraw/zinc/14/81/72/1223148172.db2.gz JNDNKNBZLJIFHN-JFIYKMOQSA-N 2 1 360.502 0.603 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175275 1223148173 /nfs/dbraw/zinc/14/81/73/1223148173.db2.gz JNDNKNBZLJIFHN-JFIYKMOQSA-N 2 1 360.502 0.603 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175275 1223148178 /nfs/dbraw/zinc/14/81/78/1223148178.db2.gz JNDNKNBZLJIFHN-JFIYKMOQSA-N 2 1 360.502 0.603 20 30 FCEDMP N#CCCN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23C[NH2+]C3)CC1 ZINC001160483230 1223162251 /nfs/dbraw/zinc/16/22/51/1223162251.db2.gz GNZVALCECFDGRV-IBGZPJMESA-N 2 1 367.497 0.766 20 30 FCEDMP N#CCCN1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CC23C[NH2+]C3)CC1 ZINC001160483230 1223162260 /nfs/dbraw/zinc/16/22/60/1223162260.db2.gz GNZVALCECFDGRV-IBGZPJMESA-N 2 1 367.497 0.766 20 30 FCEDMP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CC[C@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378229 1223197374 /nfs/dbraw/zinc/19/73/74/1223197374.db2.gz KVTNCZHHEYEVCA-OALUTQOASA-N 3 1 355.486 0.842 20 30 FCEDMP C[NH+]1CCN(CCC[N@H+]2CC[C@]3(C2)CN(CCCC#N)C(=O)CO3)CC1 ZINC001276629899 1223608397 /nfs/dbraw/zinc/60/83/97/1223608397.db2.gz CGXMGYCNEBFSMS-IBGZPJMESA-N 2 1 363.506 0.231 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210297147 1223681826 /nfs/dbraw/zinc/68/18/26/1223681826.db2.gz BSYNPPRISXNKOB-IXDOHACOSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210297147 1223681828 /nfs/dbraw/zinc/68/18/28/1223681828.db2.gz BSYNPPRISXNKOB-IXDOHACOSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210297147 1223681832 /nfs/dbraw/zinc/68/18/32/1223681832.db2.gz BSYNPPRISXNKOB-IXDOHACOSA-N 2 1 363.506 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210297147 1223681834 /nfs/dbraw/zinc/68/18/34/1223681834.db2.gz BSYNPPRISXNKOB-IXDOHACOSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211338196 1223736630 /nfs/dbraw/zinc/73/66/30/1223736630.db2.gz YCECBBJUPTXZLK-CRAIPNDOSA-N 2 1 356.470 0.548 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001211338196 1223736632 /nfs/dbraw/zinc/73/66/32/1223736632.db2.gz YCECBBJUPTXZLK-CRAIPNDOSA-N 2 1 356.470 0.548 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@H](OC)C1 ZINC001213455722 1223800987 /nfs/dbraw/zinc/80/09/87/1223800987.db2.gz KPJQYBXYIMJGKB-KZNAEPCWSA-N 2 1 369.506 0.505 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001215155720 1223978593 /nfs/dbraw/zinc/97/85/93/1223978593.db2.gz GVXRVNVUFDJCKU-GDBMZVCRSA-N 2 1 360.462 0.390 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001215767642 1224016929 /nfs/dbraw/zinc/01/69/29/1224016929.db2.gz VAHNQMKTQSSBDJ-HZPDHXFCSA-N 2 1 359.474 0.583 20 30 FCEDMP CC[N@@H+](C)[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1)c1ccccc1 ZINC001216348564 1224045871 /nfs/dbraw/zinc/04/58/71/1224045871.db2.gz NFKIPXCWLKXGON-SZVBFZGTSA-N 2 1 371.485 0.756 20 30 FCEDMP C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216979896 1224083568 /nfs/dbraw/zinc/08/35/68/1224083568.db2.gz DCQDTMOFCKKGNB-NVXWUHKLSA-N 2 1 357.458 0.195 20 30 FCEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216979896 1224083570 /nfs/dbraw/zinc/08/35/70/1224083570.db2.gz DCQDTMOFCKKGNB-NVXWUHKLSA-N 2 1 357.458 0.195 20 30 FCEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283158 1245705230 /nfs/dbraw/zinc/70/52/30/1245705230.db2.gz SHCJYNJUOKYTJA-ZWKOTPCHSA-N 2 1 372.469 0.442 20 30 FCEDMP N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413475 1245718092 /nfs/dbraw/zinc/71/80/92/1245718092.db2.gz DZEXTEZGARZVRQ-CUSZFKRNSA-N 2 1 372.425 0.165 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000923576419 1245729534 /nfs/dbraw/zinc/72/95/34/1245729534.db2.gz ILUIVAFLAIZPQE-SFHVURJKSA-N 2 1 355.486 0.808 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000923576419 1245729541 /nfs/dbraw/zinc/72/95/41/1245729541.db2.gz ILUIVAFLAIZPQE-SFHVURJKSA-N 2 1 355.486 0.808 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ncccc3C)C[C@H]2O)CC1 ZINC001078228054 1255342443 /nfs/dbraw/zinc/34/24/43/1255342443.db2.gz ANHYZRZXTMPCJE-RTBURBONSA-N 2 1 356.470 0.397 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ncccc3C)C[C@H]2O)CC1 ZINC001078228054 1255342453 /nfs/dbraw/zinc/34/24/53/1255342453.db2.gz ANHYZRZXTMPCJE-RTBURBONSA-N 2 1 356.470 0.397 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCO3)C[C@H]2OC)CC1 ZINC001082384196 1256734715 /nfs/dbraw/zinc/73/47/15/1256734715.db2.gz IGTSZSOULFNFMI-IPMKNSEASA-N 2 1 363.502 0.716 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082458207 1256771230 /nfs/dbraw/zinc/77/12/30/1256771230.db2.gz CEINJORSFCVFEQ-XWIAVFTESA-N 2 1 360.433 0.964 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001082458207 1256771235 /nfs/dbraw/zinc/77/12/35/1256771235.db2.gz CEINJORSFCVFEQ-XWIAVFTESA-N 2 1 360.433 0.964 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001082567792 1256874244 /nfs/dbraw/zinc/87/42/44/1256874244.db2.gz BIPRJXLDEQYTOT-OIISXLGYSA-N 2 1 358.490 0.641 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2c(C)nnn2CC)C1 ZINC001082567792 1256874256 /nfs/dbraw/zinc/87/42/56/1256874256.db2.gz BIPRJXLDEQYTOT-OIISXLGYSA-N 2 1 358.490 0.641 20 30 FCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2C)C1=O ZINC001082743765 1257023545 /nfs/dbraw/zinc/02/35/45/1257023545.db2.gz AFJXTOHRPIHUFH-IXDOHACOSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2O)CC1 ZINC001084090231 1257916172 /nfs/dbraw/zinc/91/61/72/1257916172.db2.gz PYFBNCIUGIDDGL-UXHICEINSA-N 2 1 371.481 0.185 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001106775405 1258960826 /nfs/dbraw/zinc/96/08/26/1258960826.db2.gz CDAKMGVIKMGSJI-QZTJIDSGSA-N 2 1 364.534 0.932 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072300 1259028042 /nfs/dbraw/zinc/02/80/42/1259028042.db2.gz LZJVKIJJEUJFHI-IEBWSBKVSA-N 2 1 370.497 0.552 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001107072300 1259028050 /nfs/dbraw/zinc/02/80/50/1259028050.db2.gz LZJVKIJJEUJFHI-IEBWSBKVSA-N 2 1 370.497 0.552 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CCOCCO)CC2 ZINC001107439583 1259090440 /nfs/dbraw/zinc/09/04/40/1259090440.db2.gz GWZCJLNIGGIVPJ-NLWGTHIKSA-N 2 1 363.502 0.454 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CCOCCO)CC2 ZINC001107439583 1259090446 /nfs/dbraw/zinc/09/04/46/1259090446.db2.gz GWZCJLNIGGIVPJ-NLWGTHIKSA-N 2 1 363.502 0.454 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107439583 1259090450 /nfs/dbraw/zinc/09/04/50/1259090450.db2.gz GWZCJLNIGGIVPJ-NLWGTHIKSA-N 2 1 363.502 0.454 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CCOCCO)CC2 ZINC001107439583 1259090457 /nfs/dbraw/zinc/09/04/57/1259090457.db2.gz GWZCJLNIGGIVPJ-NLWGTHIKSA-N 2 1 363.502 0.454 20 30 FCEDMP CC(C)[C@@H](C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2)[NH+](C)C ZINC001107444656 1259093069 /nfs/dbraw/zinc/09/30/69/1259093069.db2.gz UCWDXCWVISXIKO-HHXXYDBFSA-N 2 1 363.506 0.573 20 30 FCEDMP CC[N@@H+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107457959 1259093878 /nfs/dbraw/zinc/09/38/78/1259093878.db2.gz ZIEIJQXRWZOSMY-DNVCBOLYSA-N 2 1 363.506 0.717 20 30 FCEDMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107457959 1259093888 /nfs/dbraw/zinc/09/38/88/1259093888.db2.gz ZIEIJQXRWZOSMY-DNVCBOLYSA-N 2 1 363.506 0.717 20 30 FCEDMP CC[NH+](C)C(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107457959 1259093893 /nfs/dbraw/zinc/09/38/93/1259093893.db2.gz ZIEIJQXRWZOSMY-DNVCBOLYSA-N 2 1 363.506 0.717 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546859 1259113281 /nfs/dbraw/zinc/11/32/81/1259113281.db2.gz RKDBWNCKHPFAQJ-MBOZVWFJSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546859 1259113294 /nfs/dbraw/zinc/11/32/94/1259113294.db2.gz RKDBWNCKHPFAQJ-MBOZVWFJSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001107546859 1259113298 /nfs/dbraw/zinc/11/32/98/1259113298.db2.gz RKDBWNCKHPFAQJ-MBOZVWFJSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001107613922 1259133771 /nfs/dbraw/zinc/13/37/71/1259133771.db2.gz GFJCZZSVEPUYLS-YLJYHZDGSA-N 2 1 362.518 0.829 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004341 1259287608 /nfs/dbraw/zinc/28/76/08/1259287608.db2.gz PHKIRVRGFQCFPW-VQHPVUNQSA-N 2 1 362.478 0.162 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004341 1259287613 /nfs/dbraw/zinc/28/76/13/1259287613.db2.gz PHKIRVRGFQCFPW-VQHPVUNQSA-N 2 1 362.478 0.162 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004341 1259287617 /nfs/dbraw/zinc/28/76/17/1259287617.db2.gz PHKIRVRGFQCFPW-VQHPVUNQSA-N 2 1 362.478 0.162 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555672 1259417490 /nfs/dbraw/zinc/41/74/90/1259417490.db2.gz SVBQTYBPNKFNEI-YESZJQIVSA-N 2 1 366.506 0.226 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCO1 ZINC001200555670 1259418119 /nfs/dbraw/zinc/41/81/19/1259418119.db2.gz SVBQTYBPNKFNEI-IXDOHACOSA-N 2 1 366.506 0.226 20 30 FCEDMP N#CCC1CN(C(=O)[C@H]2CCn3nccc3C[N@H+]2CC2CC[NH2+]CC2)C1 ZINC001280135577 1261013043 /nfs/dbraw/zinc/01/30/43/1261013043.db2.gz NXTKXBLQWICWRP-GOSISDBHSA-N 2 1 356.474 0.829 20 30 FCEDMP CC[NH+]1CCC(C[N@@H+]2C[C@@H]3C(C(=O)NC4(C#N)CCC4)=NO[C@@H]3C2)CC1 ZINC001280254864 1261042249 /nfs/dbraw/zinc/04/22/49/1261042249.db2.gz BTKJKWHHIAOJMV-JKSUJKDBSA-N 2 1 359.474 0.967 20 30 FCEDMP C#CCCN1CCN(C(=O)/C(C)=C/C(=O)N2CC[NH+](CCC#C)CC2)CC1 ZINC001527631681 1266908970 /nfs/dbraw/zinc/90/89/70/1266908970.db2.gz MOALLDORSJFVAS-VHEBQXMUSA-N 2 1 370.497 0.268 20 30 FCEDMP C#CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001574604913 1271409632 /nfs/dbraw/zinc/40/96/32/1271409632.db2.gz UHKWUAPUBPTMPR-DLBZAZTESA-N 2 1 360.506 0.661 20 30 FCEDMP CC[N@H+]1CC[C@@H](Cn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001577763429 1274845634 /nfs/dbraw/zinc/84/56/34/1274845634.db2.gz BAERMFBWSUETFK-LVQVYYBASA-N 2 1 359.478 0.553 20 30 FCEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC(C)C)CC1 ZINC001699782813 1289564565 /nfs/dbraw/zinc/56/45/65/1289564565.db2.gz OSNHEYQAXRDNCG-SJLPKXTDSA-N 2 1 362.518 0.777 20 30 FCEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC(=O)NC(C)C)CC1 ZINC001699782813 1289564574 /nfs/dbraw/zinc/56/45/74/1289564574.db2.gz OSNHEYQAXRDNCG-SJLPKXTDSA-N 2 1 362.518 0.777 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CC#CCOC)C1 ZINC001689036414 1294581721 /nfs/dbraw/zinc/58/17/21/1294581721.db2.gz YEVKCRQOZOOYCI-ZWKOTPCHSA-N 2 1 361.490 0.296 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001689091708 1294609306 /nfs/dbraw/zinc/60/93/06/1294609306.db2.gz ODRGCJZJTZPYSH-KURKYZTESA-N 2 1 362.518 0.827 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001689229985 1294685413 /nfs/dbraw/zinc/68/54/13/1294685413.db2.gz JOJBSAOENJNEGJ-BBWFWOEESA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001689230190 1294690090 /nfs/dbraw/zinc/69/00/90/1294690090.db2.gz RHFRMPDBFYCPLU-SOLBZPMBSA-N 2 1 350.507 0.655 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1n1ccnn1 ZINC001070194728 837632533 /nfs/dbraw/zinc/63/25/33/837632533.db2.gz KEFDFUIYMMJHLB-OAGGEKHMSA-N 2 1 364.881 0.714 20 30 FCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000748824054 836327510 /nfs/dbraw/zinc/32/75/10/836327510.db2.gz FNYVFUJQPIGSTQ-GOSISDBHSA-N 2 1 350.507 0.197 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)COC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102488984 844525221 /nfs/dbraw/zinc/52/52/21/844525221.db2.gz PCRNLZFQFGXSAF-IAGOWNOFSA-N 2 1 351.491 0.431 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102581022 844574193 /nfs/dbraw/zinc/57/41/93/844574193.db2.gz VXPQQIZHWMEZNG-KZNAEPCWSA-N 2 1 351.491 0.289 20 30 FCEDMP C=CCCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404688 843914507 /nfs/dbraw/zinc/91/45/07/843914507.db2.gz SDMHANRZCQVKEV-SJLPKXTDSA-N 2 1 353.507 0.957 20 30 FCEDMP C=CCCC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404688 843914508 /nfs/dbraw/zinc/91/45/08/843914508.db2.gz SDMHANRZCQVKEV-SJLPKXTDSA-N 2 1 353.507 0.957 20 30 FCEDMP C=CCCC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404688 843914513 /nfs/dbraw/zinc/91/45/13/843914513.db2.gz SDMHANRZCQVKEV-SJLPKXTDSA-N 2 1 353.507 0.957 20 30 FCEDMP C=CCCC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404688 843914517 /nfs/dbraw/zinc/91/45/17/843914517.db2.gz SDMHANRZCQVKEV-SJLPKXTDSA-N 2 1 353.507 0.957 20 30 FCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098610692 843927211 /nfs/dbraw/zinc/92/72/11/843927211.db2.gz OTTDNOXKZCLDBA-BRWVUGGUSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@@H](C)O2 ZINC001098610692 843927216 /nfs/dbraw/zinc/92/72/16/843927216.db2.gz OTTDNOXKZCLDBA-BRWVUGGUSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001103435875 844757339 /nfs/dbraw/zinc/75/73/39/844757339.db2.gz CGFXWHBFQUFAFZ-BRWVUGGUSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435875 844757342 /nfs/dbraw/zinc/75/73/42/844757342.db2.gz CGFXWHBFQUFAFZ-BRWVUGGUSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001103435875 844757344 /nfs/dbraw/zinc/75/73/44/844757344.db2.gz CGFXWHBFQUFAFZ-BRWVUGGUSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001103643129 844793229 /nfs/dbraw/zinc/79/32/29/844793229.db2.gz DZLDPSWPWBOSGM-IXDOHACOSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001103643129 844793232 /nfs/dbraw/zinc/79/32/32/844793232.db2.gz DZLDPSWPWBOSGM-IXDOHACOSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103643129 844793239 /nfs/dbraw/zinc/79/32/39/844793239.db2.gz DZLDPSWPWBOSGM-IXDOHACOSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112071125 846350660 /nfs/dbraw/zinc/35/06/60/846350660.db2.gz RNTPXUNZFJIMKW-UPJWGTAASA-N 2 1 362.396 0.362 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112071125 846350668 /nfs/dbraw/zinc/35/06/68/846350668.db2.gz RNTPXUNZFJIMKW-UPJWGTAASA-N 2 1 362.396 0.362 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206290 846462641 /nfs/dbraw/zinc/46/26/41/846462641.db2.gz MHFUCHIPNRDFPO-YNEHKIRRSA-N 2 1 362.396 0.219 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C(F)(F)F ZINC001112206290 846462647 /nfs/dbraw/zinc/46/26/47/846462647.db2.gz MHFUCHIPNRDFPO-YNEHKIRRSA-N 2 1 362.396 0.219 20 30 FCEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277713543 862025683 /nfs/dbraw/zinc/02/56/83/862025683.db2.gz VMNSSXZWPSUYTA-HKUYNNGSSA-N 2 1 351.491 0.263 20 30 FCEDMP C=CCN(CC[N@@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)C(=O)OCC ZINC001278201955 862249510 /nfs/dbraw/zinc/24/95/10/862249510.db2.gz IQANQZZUAAXVMR-IRXDYDNUSA-N 2 1 354.495 0.578 20 30 FCEDMP C=CCN(CC[N@H+]1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)C(=O)OCC ZINC001278201955 862249528 /nfs/dbraw/zinc/24/95/28/862249528.db2.gz IQANQZZUAAXVMR-IRXDYDNUSA-N 2 1 354.495 0.578 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196176612 852905833 /nfs/dbraw/zinc/90/58/33/852905833.db2.gz NCVFYGLFFVIDNG-RKVPGOIHSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196176612 852905838 /nfs/dbraw/zinc/90/58/38/852905838.db2.gz NCVFYGLFFVIDNG-RKVPGOIHSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176612 852905845 /nfs/dbraw/zinc/90/58/45/852905845.db2.gz NCVFYGLFFVIDNG-RKVPGOIHSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176612 852905849 /nfs/dbraw/zinc/90/58/49/852905849.db2.gz NCVFYGLFFVIDNG-RKVPGOIHSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001196176610 852905872 /nfs/dbraw/zinc/90/58/72/852905872.db2.gz NCVFYGLFFVIDNG-IIDMSEBBSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001196176610 852905878 /nfs/dbraw/zinc/90/58/78/852905878.db2.gz NCVFYGLFFVIDNG-IIDMSEBBSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176610 852905883 /nfs/dbraw/zinc/90/58/83/852905883.db2.gz NCVFYGLFFVIDNG-IIDMSEBBSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001196176610 852905888 /nfs/dbraw/zinc/90/58/88/852905888.db2.gz NCVFYGLFFVIDNG-IIDMSEBBSA-N 2 1 357.470 0.563 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCn2ccnc2C)[C@H](OC)C1 ZINC001213576706 854672143 /nfs/dbraw/zinc/67/21/43/854672143.db2.gz TZNBELXWDQAADI-IAGOWNOFSA-N 2 1 350.463 0.990 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@H](OC)C1 ZINC001213576706 854672158 /nfs/dbraw/zinc/67/21/58/854672158.db2.gz TZNBELXWDQAADI-IAGOWNOFSA-N 2 1 350.463 0.990 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCCOC)C[C@H]2OC)CC1 ZINC001213920037 854824687 /nfs/dbraw/zinc/82/46/87/854824687.db2.gz OHSCZWZBCMNISW-QZTJIDSGSA-N 2 1 351.491 0.574 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001215972883 855162539 /nfs/dbraw/zinc/16/25/39/855162539.db2.gz BLOWAUCZQINKTQ-IAGOWNOFSA-N 2 1 350.507 0.684 20 30 FCEDMP C=CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985810 856407437 /nfs/dbraw/zinc/40/74/37/856407437.db2.gz GSZMKJTYZXTCCD-KURKYZTESA-N 2 1 353.507 0.862 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678623 856936405 /nfs/dbraw/zinc/93/64/05/856936405.db2.gz JQQYQAFFOSNSNI-MSOLQXFVSA-N 2 1 351.491 0.834 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C[C@@H]21 ZINC001223678623 856936407 /nfs/dbraw/zinc/93/64/07/856936407.db2.gz JQQYQAFFOSNSNI-MSOLQXFVSA-N 2 1 351.491 0.834 20 30 FCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246304166 857574111 /nfs/dbraw/zinc/57/41/11/857574111.db2.gz KBLYSWHCDAYXSC-ILXRZTDVSA-N 2 1 355.479 0.875 20 30 FCEDMP C=C[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC001253582993 857895704 /nfs/dbraw/zinc/89/57/04/857895704.db2.gz XENDYWPHEUOJOO-GOSISDBHSA-N 2 1 351.491 0.569 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000481295898 250330549 /nfs/dbraw/zinc/33/05/49/250330549.db2.gz OLQYITBWBSBLKA-JKSUJKDBSA-N 2 1 350.507 0.990 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)c1ccccc1F ZINC000264109396 229323585 /nfs/dbraw/zinc/32/35/85/229323585.db2.gz QNNXFCWSUUYPNC-UHFFFAOYSA-N 2 1 351.426 0.182 20 30 FCEDMP CC1CCC2(CC1)OC[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)O2 ZINC000305859545 488893399 /nfs/dbraw/zinc/89/33/99/488893399.db2.gz WZYVWIHHNOLBKB-PQUAAJSLSA-N 2 1 354.495 0.935 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000328986087 488958120 /nfs/dbraw/zinc/95/81/20/488958120.db2.gz ZVQOAEYHJOJISQ-QGZVFWFLSA-N 2 1 350.467 0.546 20 30 FCEDMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](O)(Cn3ccnn3)C2)CC1 ZINC000328986087 488958122 /nfs/dbraw/zinc/95/81/22/488958122.db2.gz ZVQOAEYHJOJISQ-QGZVFWFLSA-N 2 1 350.467 0.546 20 30 FCEDMP C[C@H](C[NH+]1CCOCC1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000329218039 488982404 /nfs/dbraw/zinc/98/24/04/488982404.db2.gz RFZRRHVNSOZRMJ-MGNMYUMUSA-N 2 1 366.506 0.995 20 30 FCEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000329320513 488993835 /nfs/dbraw/zinc/99/38/35/488993835.db2.gz IYBMAVCYMZUOMD-UHFFFAOYSA-N 2 1 353.511 0.775 20 30 FCEDMP C[C@@H]1C[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@@H+]1C ZINC000329805585 489037593 /nfs/dbraw/zinc/03/75/93/489037593.db2.gz NDIYLDCDONUFON-NVXWUHKLSA-N 2 1 365.522 0.869 20 30 FCEDMP C[C@@H]1C[C@H](NC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC[N@H+]1C ZINC000329805585 489037596 /nfs/dbraw/zinc/03/75/96/489037596.db2.gz NDIYLDCDONUFON-NVXWUHKLSA-N 2 1 365.522 0.869 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425892048 489543025 /nfs/dbraw/zinc/54/30/25/489543025.db2.gz ZNPSXHKCQOGLMI-UHFFFAOYSA-N 2 1 366.506 0.322 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373977197 489692261 /nfs/dbraw/zinc/69/22/61/489692261.db2.gz DQTBNNRFKKYDIJ-GJZGRUSLSA-N 2 1 352.479 0.819 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908164 489727906 /nfs/dbraw/zinc/72/79/06/489727906.db2.gz VOCUIHCTYNPDKM-JKSUJKDBSA-N 2 1 351.495 0.487 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908164 489727908 /nfs/dbraw/zinc/72/79/08/489727908.db2.gz VOCUIHCTYNPDKM-JKSUJKDBSA-N 2 1 351.495 0.487 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000557135493 491356114 /nfs/dbraw/zinc/35/61/14/491356114.db2.gz TZTNSEDREHQOOK-INIZCTEOSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCc1ccccc1OC[C@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000578882297 491686471 /nfs/dbraw/zinc/68/64/71/491686471.db2.gz ZNQAUHLXROJGJR-GOSISDBHSA-N 2 1 361.486 0.909 20 30 FCEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600725170 491879218 /nfs/dbraw/zinc/87/92/18/491879218.db2.gz XFPFHXNAIITXEK-ROUUACIJSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1ccccc1C#N ZINC000600725170 491879220 /nfs/dbraw/zinc/87/92/20/491879220.db2.gz XFPFHXNAIITXEK-ROUUACIJSA-N 2 1 374.485 0.830 20 30 FCEDMP C[NH+]=C(NCCC1CC[NH+](C)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261750683 526355161 /nfs/dbraw/zinc/35/51/61/526355161.db2.gz NISFKFNXGZHKCM-SFHVURJKSA-N 3 1 351.539 0.948 20 30 FCEDMP C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000262428094 526395592 /nfs/dbraw/zinc/39/55/92/526395592.db2.gz RYZVBVHNHGEQOU-UAGQMJEPSA-N 2 1 365.522 0.518 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnc(N2CCOCC2)c(F)c1 ZINC000184874399 529100548 /nfs/dbraw/zinc/10/05/48/529100548.db2.gz QSYFBBLZMROUSF-HNNXBMFYSA-N 2 1 364.469 0.946 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(N2CCOCC2)CCSC1 ZINC000104178632 529101058 /nfs/dbraw/zinc/10/10/58/529101058.db2.gz KGTMVRZBDVUDKN-DOTOQJQBSA-N 2 1 355.552 0.583 20 30 FCEDMP COCC[N@@H+](C)CCOc1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000303972562 674573985 /nfs/dbraw/zinc/57/39/85/674573985.db2.gz FZTQHIDWKABCNY-UHFFFAOYSA-N 2 1 350.463 0.791 20 30 FCEDMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001033288786 667727441 /nfs/dbraw/zinc/72/74/41/667727441.db2.gz DCPOKGVSVVFANB-KURKYZTESA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039278 675682346 /nfs/dbraw/zinc/68/23/46/675682346.db2.gz VIHYMTDVVTXKOE-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP C=C(C)C[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039278 675682348 /nfs/dbraw/zinc/68/23/48/675682348.db2.gz VIHYMTDVVTXKOE-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP C=C(C)C[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039278 675682350 /nfs/dbraw/zinc/68/23/50/675682350.db2.gz VIHYMTDVVTXKOE-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP C=C(C)C[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039278 675682353 /nfs/dbraw/zinc/68/23/53/675682353.db2.gz VIHYMTDVVTXKOE-KZNAEPCWSA-N 2 1 350.507 0.500 20 30 FCEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039152 675682379 /nfs/dbraw/zinc/68/23/79/675682379.db2.gz SZWMBSINXYPSHT-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C=CCC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039152 675682380 /nfs/dbraw/zinc/68/23/80/675682380.db2.gz SZWMBSINXYPSHT-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C=CCC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039152 675682383 /nfs/dbraw/zinc/68/23/83/675682383.db2.gz SZWMBSINXYPSHT-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C=CCC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)C1 ZINC001046039152 675682386 /nfs/dbraw/zinc/68/23/86/675682386.db2.gz SZWMBSINXYPSHT-FGTMMUONSA-N 2 1 350.507 0.500 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C)CC1 ZINC000988506839 1192237293 /nfs/dbraw/zinc/23/72/93/1192237293.db2.gz QJIXDKILYHSUQX-BPQIPLTHSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470348 1167768857 /nfs/dbraw/zinc/76/88/57/1167768857.db2.gz JBUFDFJWDZHDKO-UWVAXJGDSA-N 2 1 371.485 0.548 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C1 ZINC001104306083 1169872857 /nfs/dbraw/zinc/87/28/57/1169872857.db2.gz JVGQATQRGHBLPU-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCCC)C1 ZINC001104306083 1169872859 /nfs/dbraw/zinc/87/28/59/1169872859.db2.gz JVGQATQRGHBLPU-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104310964 1169884908 /nfs/dbraw/zinc/88/49/08/1169884908.db2.gz LQGTUIMHIKLTAM-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345904 1170128924 /nfs/dbraw/zinc/12/89/24/1170128924.db2.gz ZLPJWMAOFGGKEY-QBPKDAKJSA-N 2 1 366.506 0.082 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104345904 1170128927 /nfs/dbraw/zinc/12/89/27/1170128927.db2.gz ZLPJWMAOFGGKEY-QBPKDAKJSA-N 2 1 366.506 0.082 20 30 FCEDMP C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001691358912 1171202871 /nfs/dbraw/zinc/20/28/71/1171202871.db2.gz ZVJKNCKAHHBYMG-ZACQAIPSSA-N 2 1 363.506 0.717 20 30 FCEDMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001211557063 1172065879 /nfs/dbraw/zinc/06/58/79/1172065879.db2.gz AAKKYOGXXRQKRH-KSZLIROESA-N 2 1 369.469 0.305 20 30 FCEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098611102 1182985732 /nfs/dbraw/zinc/98/57/32/1182985732.db2.gz XJBSJBUSBVRHCI-FGTMMUONSA-N 2 1 363.502 0.811 20 30 FCEDMP C#CCC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098611102 1182985736 /nfs/dbraw/zinc/98/57/36/1182985736.db2.gz XJBSJBUSBVRHCI-FGTMMUONSA-N 2 1 363.502 0.811 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720298 1187465634 /nfs/dbraw/zinc/46/56/34/1187465634.db2.gz DNJFESYILNSWPB-CEXWTWQISA-N 2 1 368.481 0.272 20 30 FCEDMP C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261859287 1187835638 /nfs/dbraw/zinc/83/56/38/1187835638.db2.gz YEVWZYKZMQBUMP-OAHLLOKOSA-N 2 1 361.494 0.344 20 30 FCEDMP C[NH+]=C(NCc1nnc2n1CCCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261859283 1187835735 /nfs/dbraw/zinc/83/57/35/1187835735.db2.gz YEVWZYKZMQBUMP-HNNXBMFYSA-N 2 1 361.494 0.344 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2CC)C1=O ZINC001087830345 1189841939 /nfs/dbraw/zinc/84/19/39/1189841939.db2.gz AVGJDMWFKPKINF-BBWFWOEESA-N 2 1 359.474 0.948 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)Cn3cc[nH+]c3C)[C@H]2CC)C1=O ZINC001087830345 1189841940 /nfs/dbraw/zinc/84/19/40/1189841940.db2.gz AVGJDMWFKPKINF-BBWFWOEESA-N 2 1 359.474 0.948 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCc3cnn(C)c3)CC[C@@H]2C1 ZINC001087998102 1190174936 /nfs/dbraw/zinc/17/49/36/1190174936.db2.gz QZFKIGXLJJPVQA-AABGKKOBSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCc3cnn(C)c3)CC[C@@H]2C1 ZINC001087998102 1190174940 /nfs/dbraw/zinc/17/49/40/1190174940.db2.gz QZFKIGXLJJPVQA-AABGKKOBSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCc3cnn(C)c3)CC[C@@H]2C1 ZINC001087998102 1190174944 /nfs/dbraw/zinc/17/49/44/1190174944.db2.gz QZFKIGXLJJPVQA-AABGKKOBSA-N 2 1 369.513 0.841 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCc3cnn(C)c3)CC[C@@H]2C1 ZINC001087998102 1190174948 /nfs/dbraw/zinc/17/49/48/1190174948.db2.gz QZFKIGXLJJPVQA-AABGKKOBSA-N 2 1 369.513 0.841 20 30 FCEDMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCC#CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897358543 1190816832 /nfs/dbraw/zinc/81/68/32/1190816832.db2.gz UTFAZICITRKDTC-IYBDPMFKSA-N 2 1 362.518 0.968 20 30 FCEDMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897358543 1190816834 /nfs/dbraw/zinc/81/68/34/1190816834.db2.gz UTFAZICITRKDTC-IYBDPMFKSA-N 2 1 362.518 0.968 20 30 FCEDMP CC(C)(C)[NH+]1CC[C@@H]1C(=O)NCC#CCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897358543 1190816836 /nfs/dbraw/zinc/81/68/36/1190816836.db2.gz UTFAZICITRKDTC-IYBDPMFKSA-N 2 1 362.518 0.968 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001076605847 1194593629 /nfs/dbraw/zinc/59/36/29/1194593629.db2.gz WDXODUHDLWMHEK-RCCFBDPRSA-N 2 1 358.486 0.095 20 30 FCEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001106245052 1197776780 /nfs/dbraw/zinc/77/67/80/1197776780.db2.gz ZBJBCNNNSZDLPU-IXDOHACOSA-N 2 1 363.506 0.288 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2c[nH+]cc2C)C1=O ZINC001085275191 1197781874 /nfs/dbraw/zinc/78/18/74/1197781874.db2.gz UBBWSKXPSUFAIT-BRWVUGGUSA-N 2 1 359.474 0.995 20 30 FCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)Cn2c[nH+]cc2C)C1=O ZINC001085275192 1197782325 /nfs/dbraw/zinc/78/23/25/1197782325.db2.gz UBBWSKXPSUFAIT-ZACQAIPSSA-N 2 1 359.474 0.995 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249442 1197782688 /nfs/dbraw/zinc/78/26/88/1197782688.db2.gz HTIKIDXPKWNAOM-OAGGEKHMSA-N 2 1 357.458 0.194 20 30 FCEDMP C=CCC[C@@H](C)[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129385127 1200094686 /nfs/dbraw/zinc/09/46/86/1200094686.db2.gz JBVMUOFKPFMVQN-ZACQAIPSSA-N 2 1 364.494 0.553 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001129932160 1201435519 /nfs/dbraw/zinc/43/55/19/1201435519.db2.gz OXKOVCOQFLDOPF-CVEARBPZSA-N 2 1 359.434 0.027 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001130026672 1201479401 /nfs/dbraw/zinc/47/94/01/1201479401.db2.gz YLJKUGQHBVVGJM-CVEARBPZSA-N 2 1 355.446 0.663 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731796 1202772348 /nfs/dbraw/zinc/77/23/48/1202772348.db2.gz PPWQDVBHCBOBQS-CGTJXYLNSA-N 2 1 359.474 0.048 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731796 1202772351 /nfs/dbraw/zinc/77/23/51/1202772351.db2.gz PPWQDVBHCBOBQS-CGTJXYLNSA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)CCC)n2)O1 ZINC001130815951 1202806941 /nfs/dbraw/zinc/80/69/41/1202806941.db2.gz HYCWNAPZUGGCNA-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130943758 1202826723 /nfs/dbraw/zinc/82/67/23/1202826723.db2.gz HWHNCPBHVJJCSU-ZACQAIPSSA-N 2 1 361.490 0.601 20 30 FCEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001131522412 1202911222 /nfs/dbraw/zinc/91/12/22/1202911222.db2.gz GXHLUXKNJAZOCE-OWYHZJEWSA-N 2 1 363.502 0.715 20 30 FCEDMP CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001131522412 1202911224 /nfs/dbraw/zinc/91/12/24/1202911224.db2.gz GXHLUXKNJAZOCE-OWYHZJEWSA-N 2 1 363.502 0.715 20 30 FCEDMP CC[N@@H+](C)CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC#CCOC)CC1 ZINC001131587893 1202916711 /nfs/dbraw/zinc/91/67/11/1202916711.db2.gz FRJKVHMYYWTYJA-QUCCMNQESA-N 2 1 365.518 0.964 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](Cc3ccnn3C)C[C@@]2(C)C1 ZINC001091748689 1204842217 /nfs/dbraw/zinc/84/22/17/1204842217.db2.gz VKVJLUUTNOEKEI-KPFFTGBYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](Cc3ccnn3C)C[C@@]2(C)C1 ZINC001091748689 1204842218 /nfs/dbraw/zinc/84/22/18/1204842218.db2.gz VKVJLUUTNOEKEI-KPFFTGBYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccnn3C)C[C@@]2(C)C1 ZINC001091748689 1204842221 /nfs/dbraw/zinc/84/22/21/1204842221.db2.gz VKVJLUUTNOEKEI-KPFFTGBYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](Cc3ccnn3C)C[C@@]2(C)C1 ZINC001091748689 1204842222 /nfs/dbraw/zinc/84/22/22/1204842222.db2.gz VKVJLUUTNOEKEI-KPFFTGBYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093469429 1206085578 /nfs/dbraw/zinc/08/55/78/1206085578.db2.gz FTABWHXBMDEWQH-IZBJGVDFSA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001093833155 1206126404 /nfs/dbraw/zinc/12/64/04/1206126404.db2.gz UWIMYVIAKRRYNQ-INMHGKMJSA-N 2 1 371.489 0.290 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2nnnn2C2CC2)[C@H](C)C1 ZINC001093833155 1206126410 /nfs/dbraw/zinc/12/64/10/1206126410.db2.gz UWIMYVIAKRRYNQ-INMHGKMJSA-N 2 1 371.489 0.290 20 30 FCEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001188205071 1207433545 /nfs/dbraw/zinc/43/35/45/1207433545.db2.gz BEBQHOZQDLLSMQ-YESZJQIVSA-N 2 1 361.490 0.422 20 30 FCEDMP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001188205071 1207433548 /nfs/dbraw/zinc/43/35/48/1207433548.db2.gz BEBQHOZQDLLSMQ-YESZJQIVSA-N 2 1 361.490 0.422 20 30 FCEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001188205071 1207433549 /nfs/dbraw/zinc/43/35/49/1207433549.db2.gz BEBQHOZQDLLSMQ-YESZJQIVSA-N 2 1 361.490 0.422 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188205071 1207433552 /nfs/dbraw/zinc/43/35/52/1207433552.db2.gz BEBQHOZQDLLSMQ-YESZJQIVSA-N 2 1 361.490 0.422 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188205071 1207433554 /nfs/dbraw/zinc/43/35/54/1207433554.db2.gz BEBQHOZQDLLSMQ-YESZJQIVSA-N 2 1 361.490 0.422 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001189390603 1207538542 /nfs/dbraw/zinc/53/85/42/1207538542.db2.gz FUIFYIVOSHMQOD-FUHWJXTLSA-N 2 1 361.490 0.794 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190319193 1207674998 /nfs/dbraw/zinc/67/49/98/1207674998.db2.gz YNVYDMBDBUDEDE-OKZBNKHCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190319193 1207675002 /nfs/dbraw/zinc/67/50/02/1207675002.db2.gz YNVYDMBDBUDEDE-OKZBNKHCSA-N 2 1 360.502 0.533 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574570 1208479091 /nfs/dbraw/zinc/47/90/91/1208479091.db2.gz YYKZQLCLPROFJS-NXHRZFHOSA-N 2 1 361.490 0.982 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+](C)C2CCC2)C3)C1=O ZINC001110673671 1209608015 /nfs/dbraw/zinc/60/80/15/1209608015.db2.gz LZATXXWOIXZJHE-ZJPYXAASSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+](C)C2CCC2)C3)C1=O ZINC001110673671 1209608017 /nfs/dbraw/zinc/60/80/17/1209608017.db2.gz LZATXXWOIXZJHE-ZJPYXAASSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C2CCC2)C3)C1=O ZINC001110673671 1209608020 /nfs/dbraw/zinc/60/80/20/1209608020.db2.gz LZATXXWOIXZJHE-ZJPYXAASSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+](C)C2CCC2)C3)C1=O ZINC001110673671 1209608022 /nfs/dbraw/zinc/60/80/22/1209608022.db2.gz LZATXXWOIXZJHE-ZJPYXAASSA-N 2 1 360.502 0.979 20 30 FCEDMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC)C2CC2)C[C@H]1C#N)C1CC1 ZINC000875830007 1210394195 /nfs/dbraw/zinc/39/41/95/1210394195.db2.gz LKBSZRMRGRKONI-QGZVFWFLSA-N 2 1 361.490 0.518 20 30 FCEDMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@H+](CC)C2CC2)[C@H](C#N)C1)C1CC1 ZINC000875830007 1210394197 /nfs/dbraw/zinc/39/41/97/1210394197.db2.gz LKBSZRMRGRKONI-QGZVFWFLSA-N 2 1 361.490 0.518 20 30 FCEDMP CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC)C2CC2)[C@H](C#N)C1)C1CC1 ZINC000875830007 1210394200 /nfs/dbraw/zinc/39/42/00/1210394200.db2.gz LKBSZRMRGRKONI-QGZVFWFLSA-N 2 1 361.490 0.518 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000890365466 1210975451 /nfs/dbraw/zinc/97/54/51/1210975451.db2.gz UDPICNIMPDWRMQ-IBGZPJMESA-N 2 1 361.534 0.753 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000890365466 1210975454 /nfs/dbraw/zinc/97/54/54/1210975454.db2.gz UDPICNIMPDWRMQ-IBGZPJMESA-N 2 1 361.534 0.753 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000890368686 1210975842 /nfs/dbraw/zinc/97/58/42/1210975842.db2.gz LUXNKPQAWNODEK-FHWLQOOXSA-N 2 1 361.534 0.751 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000890368686 1210975844 /nfs/dbraw/zinc/97/58/44/1210975844.db2.gz LUXNKPQAWNODEK-FHWLQOOXSA-N 2 1 361.534 0.751 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000950431672 1212574796 /nfs/dbraw/zinc/57/47/96/1212574796.db2.gz HCFRIGFIEMGQHQ-BPQIPLTHSA-N 2 1 360.502 0.389 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701542 1225448303 /nfs/dbraw/zinc/44/83/03/1225448303.db2.gz SYBMHJFQJPOTIL-SYJBPTKTSA-N 2 1 359.470 0.032 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701542 1225448307 /nfs/dbraw/zinc/44/83/07/1225448307.db2.gz SYBMHJFQJPOTIL-SYJBPTKTSA-N 2 1 359.470 0.032 20 30 FCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701542 1225448310 /nfs/dbraw/zinc/44/83/10/1225448310.db2.gz SYBMHJFQJPOTIL-SYJBPTKTSA-N 2 1 359.470 0.032 20 30 FCEDMP COCC#CC[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701542 1225448314 /nfs/dbraw/zinc/44/83/14/1225448314.db2.gz SYBMHJFQJPOTIL-SYJBPTKTSA-N 2 1 359.470 0.032 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772892 1225477092 /nfs/dbraw/zinc/47/70/92/1225477092.db2.gz QAOFPJUIFVCJBW-IAGOWNOFSA-N 2 1 363.506 0.623 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221772892 1225477095 /nfs/dbraw/zinc/47/70/95/1225477095.db2.gz QAOFPJUIFVCJBW-IAGOWNOFSA-N 2 1 363.506 0.623 20 30 FCEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000960528973 1213805158 /nfs/dbraw/zinc/80/51/58/1213805158.db2.gz SJGHRFUSKCUTCH-SFKBXODTSA-N 2 1 354.454 0.824 20 30 FCEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000960528973 1213805164 /nfs/dbraw/zinc/80/51/64/1213805164.db2.gz SJGHRFUSKCUTCH-SFKBXODTSA-N 2 1 354.454 0.824 20 30 FCEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000960528973 1213805165 /nfs/dbraw/zinc/80/51/65/1213805165.db2.gz SJGHRFUSKCUTCH-SFKBXODTSA-N 2 1 354.454 0.824 20 30 FCEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(C#N)c4)C[C@H]32)O1 ZINC000960528973 1213805168 /nfs/dbraw/zinc/80/51/68/1213805168.db2.gz SJGHRFUSKCUTCH-SFKBXODTSA-N 2 1 354.454 0.824 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848745 1225505701 /nfs/dbraw/zinc/50/57/01/1225505701.db2.gz DPDQAENTYLILGZ-CGTJXYLNSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848745 1225505703 /nfs/dbraw/zinc/50/57/03/1225505703.db2.gz DPDQAENTYLILGZ-CGTJXYLNSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223058253 1225676584 /nfs/dbraw/zinc/67/65/84/1225676584.db2.gz LDRQUXOPNWENGW-SJORKVTESA-N 2 1 360.502 0.840 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001223058253 1225676586 /nfs/dbraw/zinc/67/65/86/1225676586.db2.gz LDRQUXOPNWENGW-SJORKVTESA-N 2 1 360.502 0.840 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001226860954 1225856120 /nfs/dbraw/zinc/85/61/20/1225856120.db2.gz VZYIQYJCTHFKEI-KURKYZTESA-N 2 1 360.502 0.627 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC001226860954 1225856122 /nfs/dbraw/zinc/85/61/22/1225856122.db2.gz VZYIQYJCTHFKEI-KURKYZTESA-N 2 1 360.502 0.627 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1n1ccnn1 ZINC001070193866 1219286265 /nfs/dbraw/zinc/28/62/65/1219286265.db2.gz VKIGZNDRKCQXFW-QRQLOZEOSA-N 2 1 370.501 0.907 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@@H+](C)C2CCCC2)C[C@@H]1n1ccnn1 ZINC001070223857 1219304416 /nfs/dbraw/zinc/30/44/16/1219304416.db2.gz AEYJJUOZVNTIDB-SJORKVTESA-N 2 1 358.490 0.906 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001070378468 1219405346 /nfs/dbraw/zinc/40/53/46/1219405346.db2.gz RMQYPZWMFYIBKR-MDYRTPRTSA-N 2 1 362.518 0.990 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001070382753 1219407537 /nfs/dbraw/zinc/40/75/37/1219407537.db2.gz PEYCKZIHUMMBNQ-APWZRJJASA-N 2 1 357.458 0.300 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001070382828 1219407661 /nfs/dbraw/zinc/40/76/61/1219407661.db2.gz SYMKHIMZBOKZAQ-LMMKCTJWSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cncn1C ZINC001070655653 1219510376 /nfs/dbraw/zinc/51/03/76/1219510376.db2.gz WYPKNQFSFACVJO-OAGGEKHMSA-N 2 1 352.442 0.711 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCN(CC)C2=O)CC1 ZINC001098460048 1219787388 /nfs/dbraw/zinc/78/73/88/1219787388.db2.gz XTGSUSMZCGMGTF-YRXWBPOGSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCN(CC)C2=O)CC1 ZINC001098460048 1219787391 /nfs/dbraw/zinc/78/73/91/1219787391.db2.gz XTGSUSMZCGMGTF-YRXWBPOGSA-N 2 1 372.513 0.674 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001099162759 1219936431 /nfs/dbraw/zinc/93/64/31/1219936431.db2.gz UFMNTKPVYICEID-QKLQHJQFSA-N 2 1 360.502 0.840 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001099162759 1219936435 /nfs/dbraw/zinc/93/64/35/1219936435.db2.gz UFMNTKPVYICEID-QKLQHJQFSA-N 2 1 360.502 0.840 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101317087 1220284261 /nfs/dbraw/zinc/28/42/61/1220284261.db2.gz HIHIMCFEEIFITM-MDZRGWNJSA-N 2 1 357.458 0.191 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101340091 1220292906 /nfs/dbraw/zinc/29/29/06/1220292906.db2.gz UYZHUIFVMGNJNB-GGXPGOJBSA-N 2 1 361.490 0.137 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101340091 1220292911 /nfs/dbraw/zinc/29/29/11/1220292911.db2.gz UYZHUIFVMGNJNB-GGXPGOJBSA-N 2 1 361.490 0.137 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[NH+]1C ZINC001101340091 1220292913 /nfs/dbraw/zinc/29/29/13/1220292913.db2.gz UYZHUIFVMGNJNB-GGXPGOJBSA-N 2 1 361.490 0.137 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[NH+]1C ZINC001101340091 1220292918 /nfs/dbraw/zinc/29/29/18/1220292918.db2.gz UYZHUIFVMGNJNB-GGXPGOJBSA-N 2 1 361.490 0.137 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101363031 1220303143 /nfs/dbraw/zinc/30/31/43/1220303143.db2.gz MWSZWRNTETUBQM-HLIPFELVSA-N 2 1 362.518 0.637 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)CCC)C[C@]3(C)C2)C1=O ZINC001101443474 1220348069 /nfs/dbraw/zinc/34/80/69/1220348069.db2.gz GWWYSAGICFDGRE-HLIPFELVSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)CCC)C[C@]3(C)C2)C1=O ZINC001101443474 1220348072 /nfs/dbraw/zinc/34/80/72/1220348072.db2.gz GWWYSAGICFDGRE-HLIPFELVSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)CCC)C[C@]3(C)C2)C1=O ZINC001101443474 1220348073 /nfs/dbraw/zinc/34/80/73/1220348073.db2.gz GWWYSAGICFDGRE-HLIPFELVSA-N 2 1 362.518 0.895 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102056036 1220480149 /nfs/dbraw/zinc/48/01/49/1220480149.db2.gz KDPAATVEYXODHB-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102056036 1220480152 /nfs/dbraw/zinc/48/01/52/1220480152.db2.gz KDPAATVEYXODHB-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102056036 1220480155 /nfs/dbraw/zinc/48/01/55/1220480155.db2.gz KDPAATVEYXODHB-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC2CC2)C[C@H]1C ZINC001102056036 1220480157 /nfs/dbraw/zinc/48/01/57/1220480157.db2.gz KDPAATVEYXODHB-NXHRZFHOSA-N 2 1 360.502 0.294 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285461 1220574679 /nfs/dbraw/zinc/57/46/79/1220574679.db2.gz ROOWWBQJIOWIQV-GDBMZVCRSA-N 2 1 362.474 0.941 20 30 FCEDMP C[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+]1CCCCCC1 ZINC001102428785 1220621533 /nfs/dbraw/zinc/62/15/33/1220621533.db2.gz SCVBZVZRIINDTF-IXDOHACOSA-N 2 1 363.506 0.575 20 30 FCEDMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)CC1 ZINC001102493984 1220656145 /nfs/dbraw/zinc/65/61/45/1220656145.db2.gz SUAKYFJORCGPLN-NVXWUHKLSA-N 2 1 363.506 0.431 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613092 1220731175 /nfs/dbraw/zinc/73/11/75/1220731175.db2.gz LTFCUQBLIDAUOK-IEBWSBKVSA-N 2 1 370.497 0.552 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613092 1220731180 /nfs/dbraw/zinc/73/11/80/1220731180.db2.gz LTFCUQBLIDAUOK-IEBWSBKVSA-N 2 1 370.497 0.552 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613092 1220731187 /nfs/dbraw/zinc/73/11/87/1220731187.db2.gz LTFCUQBLIDAUOK-IEBWSBKVSA-N 2 1 370.497 0.552 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC001102613092 1220731193 /nfs/dbraw/zinc/73/11/93/1220731193.db2.gz LTFCUQBLIDAUOK-IEBWSBKVSA-N 2 1 370.497 0.552 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[NH+](CC(=O)NCC#N)C[C@H]2C)CC[N@H+]1C ZINC001103003077 1220818689 /nfs/dbraw/zinc/81/86/89/1220818689.db2.gz AJSCUSCYDVWPNI-WCXIOVBPSA-N 2 1 363.506 0.431 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)CC[NH+]1C ZINC001103003077 1220818691 /nfs/dbraw/zinc/81/86/91/1220818691.db2.gz AJSCUSCYDVWPNI-WCXIOVBPSA-N 2 1 363.506 0.431 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]2C)CC[NH+]1C ZINC001103003077 1220818692 /nfs/dbraw/zinc/81/86/92/1220818692.db2.gz AJSCUSCYDVWPNI-WCXIOVBPSA-N 2 1 363.506 0.431 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001103193937 1220848905 /nfs/dbraw/zinc/84/89/05/1220848905.db2.gz RIYAKPIKWQWQMB-GDBMZVCRSA-N 2 1 368.441 0.662 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)COCC[NH+](C)C)C1 ZINC001103642869 1220926110 /nfs/dbraw/zinc/92/61/10/1220926110.db2.gz ABNSMRUTUQAFAH-IXDOHACOSA-N 2 1 368.522 0.330 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001103742590 1220960424 /nfs/dbraw/zinc/96/04/24/1220960424.db2.gz MZBCYMVNYVILPY-BRWVUGGUSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001103742590 1220960429 /nfs/dbraw/zinc/96/04/29/1220960429.db2.gz MZBCYMVNYVILPY-BRWVUGGUSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103742590 1220960433 /nfs/dbraw/zinc/96/04/33/1220960433.db2.gz MZBCYMVNYVILPY-BRWVUGGUSA-N 2 1 366.506 0.084 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001103742590 1220960446 /nfs/dbraw/zinc/96/04/46/1220960446.db2.gz MZBCYMVNYVILPY-BRWVUGGUSA-N 2 1 366.506 0.084 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001111782816 1221106162 /nfs/dbraw/zinc/10/61/62/1221106162.db2.gz ZICBNOSVKBVASP-QKLQHJQFSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782816 1221106166 /nfs/dbraw/zinc/10/61/66/1221106166.db2.gz ZICBNOSVKBVASP-QKLQHJQFSA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001111782816 1221106169 /nfs/dbraw/zinc/10/61/69/1221106169.db2.gz ZICBNOSVKBVASP-QKLQHJQFSA-N 2 1 360.502 0.581 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111808126 1221121248 /nfs/dbraw/zinc/12/12/48/1221121248.db2.gz YMVDVFQFIJUCNB-BXWFABGCSA-N 2 1 359.474 0.853 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001111808126 1221121250 /nfs/dbraw/zinc/12/12/50/1221121250.db2.gz YMVDVFQFIJUCNB-BXWFABGCSA-N 2 1 359.474 0.853 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852198 1221136164 /nfs/dbraw/zinc/13/61/64/1221136164.db2.gz IJYPNGRMXBLTEF-NSHGMRRFSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852198 1221136167 /nfs/dbraw/zinc/13/61/67/1221136167.db2.gz IJYPNGRMXBLTEF-NSHGMRRFSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001111852198 1221136169 /nfs/dbraw/zinc/13/61/69/1221136169.db2.gz IJYPNGRMXBLTEF-NSHGMRRFSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001111852198 1221136171 /nfs/dbraw/zinc/13/61/71/1221136171.db2.gz IJYPNGRMXBLTEF-NSHGMRRFSA-N 2 1 363.502 0.716 20 30 FCEDMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2)[NH+](CC)CC ZINC001111869129 1221143345 /nfs/dbraw/zinc/14/33/45/1221143345.db2.gz YSWCIGBMYVQGPC-BXWFABGCSA-N 2 1 363.506 0.717 20 30 FCEDMP CC[C@@H](C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2)[NH+](CC)CC ZINC001111869129 1221143347 /nfs/dbraw/zinc/14/33/47/1221143347.db2.gz YSWCIGBMYVQGPC-BXWFABGCSA-N 2 1 363.506 0.717 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001112359725 1221245484 /nfs/dbraw/zinc/24/54/84/1221245484.db2.gz HLKZCHSJPKMWNK-YZLZLFLDSA-N 2 1 360.502 0.294 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CCCC[N@@H+]1C)C2 ZINC001112428888 1221257832 /nfs/dbraw/zinc/25/78/32/1221257832.db2.gz OWHIEAWVEPAJRB-QKLQHJQFSA-N 2 1 362.518 0.991 20 30 FCEDMP C#CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000839369630 1222734423 /nfs/dbraw/zinc/73/44/23/1222734423.db2.gz IYACOSLVENMYON-ROUUACIJSA-N 2 1 362.518 0.874 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC=C(CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001160175276 1223148389 /nfs/dbraw/zinc/14/83/89/1223148389.db2.gz JNDNKNBZLJIFHN-SOLBZPMBSA-N 2 1 360.502 0.603 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001160175276 1223148391 /nfs/dbraw/zinc/14/83/91/1223148391.db2.gz JNDNKNBZLJIFHN-SOLBZPMBSA-N 2 1 360.502 0.603 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1CC=C(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001160175276 1223148393 /nfs/dbraw/zinc/14/83/93/1223148393.db2.gz JNDNKNBZLJIFHN-SOLBZPMBSA-N 2 1 360.502 0.603 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857403 1223178406 /nfs/dbraw/zinc/17/84/06/1223178406.db2.gz IDFLUSXRBUNTPG-BRWVUGGUSA-N 2 1 368.522 0.615 20 30 FCEDMP C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857403 1223178407 /nfs/dbraw/zinc/17/84/07/1223178407.db2.gz IDFLUSXRBUNTPG-BRWVUGGUSA-N 2 1 368.522 0.615 20 30 FCEDMP N#Cc1ccccc1C[C@H]([NH3+])CC(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378230 1223197401 /nfs/dbraw/zinc/19/74/01/1223197401.db2.gz KVTNCZHHEYEVCA-RBUKOAKNSA-N 3 1 355.486 0.842 20 30 FCEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)COCC[NH+](C)C)C1 ZINC001205212574 1223317330 /nfs/dbraw/zinc/31/73/30/1223317330.db2.gz YIYWFIJXIIFGAQ-RTBURBONSA-N 2 1 361.486 0.825 20 30 FCEDMP C=CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)COCC[NH+](C)C)C1 ZINC001205212574 1223317332 /nfs/dbraw/zinc/31/73/32/1223317332.db2.gz YIYWFIJXIIFGAQ-RTBURBONSA-N 2 1 361.486 0.825 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001205339443 1223320595 /nfs/dbraw/zinc/32/05/95/1223320595.db2.gz GDZAOVDNKFUTRC-RYQLBKOJSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207767372 1223478243 /nfs/dbraw/zinc/47/82/43/1223478243.db2.gz USPGTTBYVIEYHB-NVXWUHKLSA-N 2 1 359.474 0.647 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001207767372 1223478244 /nfs/dbraw/zinc/47/82/44/1223478244.db2.gz USPGTTBYVIEYHB-NVXWUHKLSA-N 2 1 359.474 0.647 20 30 FCEDMP C=CCNC(=O)CN1C[C@@H](C)[C@H](NC(=O)c2ccn(-c3ccncc3)n2)C1 ZINC001207965976 1223501325 /nfs/dbraw/zinc/50/13/25/1223501325.db2.gz CNVMMYLZSNLCKX-RHSMWYFYSA-N 2 1 368.441 0.620 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297126 1223681226 /nfs/dbraw/zinc/68/12/26/1223681226.db2.gz AYLMSBPFRVWYTD-IAGOWNOFSA-N 2 1 366.506 0.202 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210297126 1223681231 /nfs/dbraw/zinc/68/12/31/1223681231.db2.gz AYLMSBPFRVWYTD-IAGOWNOFSA-N 2 1 366.506 0.202 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427460 1223691199 /nfs/dbraw/zinc/69/11/99/1223691199.db2.gz TYXPSALTZNVAFI-IAGOWNOFSA-N 2 1 365.522 0.917 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427460 1223691204 /nfs/dbraw/zinc/69/12/04/1223691204.db2.gz TYXPSALTZNVAFI-IAGOWNOFSA-N 2 1 365.522 0.917 20 30 FCEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214662121 1223930262 /nfs/dbraw/zinc/93/02/62/1223930262.db2.gz VANYDCQREPHZQC-RBSFLKMASA-N 2 1 360.462 0.473 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC000993861390 1250030747 /nfs/dbraw/zinc/03/07/47/1250030747.db2.gz SDPRARRQLPCVSU-ZWKOTPCHSA-N 2 1 360.502 0.389 20 30 FCEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000923283156 1245705361 /nfs/dbraw/zinc/70/53/61/1245705361.db2.gz SHCJYNJUOKYTJA-QZTJIDSGSA-N 2 1 372.469 0.442 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000940772124 1246383690 /nfs/dbraw/zinc/38/36/90/1246383690.db2.gz PLKAULPJKWYHBD-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000940772124 1246383696 /nfs/dbraw/zinc/38/36/96/1246383696.db2.gz PLKAULPJKWYHBD-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000940772124 1246383704 /nfs/dbraw/zinc/38/37/04/1246383704.db2.gz PLKAULPJKWYHBD-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000940772124 1246383710 /nfs/dbraw/zinc/38/37/10/1246383710.db2.gz PLKAULPJKWYHBD-XDNAFOTISA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)C[C@H]2O)CC1 ZINC001078227194 1255338707 /nfs/dbraw/zinc/33/87/07/1255338707.db2.gz NJOZYGUSAHIXQU-USXIJHARSA-N 2 1 369.456 0.928 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001078227028 1255340262 /nfs/dbraw/zinc/34/02/62/1255340262.db2.gz FVIAADZSMSQEKE-BHIYHBOVSA-N 2 1 363.502 0.310 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2C)CC1 ZINC001080998068 1256132940 /nfs/dbraw/zinc/13/29/40/1256132940.db2.gz RDJLRQPSWQXESC-VQIMIIECSA-N 2 1 370.497 0.667 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCOC3)C[C@H]2OC)CC1 ZINC001082384376 1256735290 /nfs/dbraw/zinc/73/52/90/1256735290.db2.gz RXNMHWHHQAKGRS-BHIYHBOVSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccnc3C)C[C@@H]2O)CC1 ZINC001084089715 1257912907 /nfs/dbraw/zinc/91/29/07/1257912907.db2.gz YSQSSMQQAKCBDT-MOPGFXCFSA-N 2 1 356.470 0.397 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccnc3C)C[C@@H]2O)CC1 ZINC001084089715 1257912915 /nfs/dbraw/zinc/91/29/15/1257912915.db2.gz YSQSSMQQAKCBDT-MOPGFXCFSA-N 2 1 356.470 0.397 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)C[C@@H]32)C1=O ZINC001084990223 1258502250 /nfs/dbraw/zinc/50/22/50/1258502250.db2.gz IMOKXJDAJDSRLP-BZSNNMDCSA-N 2 1 371.485 0.901 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)C[C@@H]32)C1=O ZINC001084990223 1258502252 /nfs/dbraw/zinc/50/22/52/1258502252.db2.gz IMOKXJDAJDSRLP-BZSNNMDCSA-N 2 1 371.485 0.901 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C(C)(C)[N@H+](C)CC)CCC[C@@H]12 ZINC001107455108 1259094559 /nfs/dbraw/zinc/09/45/59/1259094559.db2.gz WXVJFADPENXLNU-OXQOHEQNSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455108 1259094567 /nfs/dbraw/zinc/09/45/67/1259094567.db2.gz WXVJFADPENXLNU-OXQOHEQNSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)[NH+](C)CC)CCC[C@@H]12 ZINC001107455108 1259094574 /nfs/dbraw/zinc/09/45/74/1259094574.db2.gz WXVJFADPENXLNU-OXQOHEQNSA-N 2 1 362.518 0.827 20 30 FCEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC#CCOC)CC3)C1 ZINC001107638811 1259139785 /nfs/dbraw/zinc/13/97/85/1259139785.db2.gz NDLIAYOJKGGIGL-NLWGTHIKSA-N 2 1 363.502 0.718 20 30 FCEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[NH+](CC#CCOC)CC3)C1 ZINC001107638811 1259139791 /nfs/dbraw/zinc/13/97/91/1259139791.db2.gz NDLIAYOJKGGIGL-NLWGTHIKSA-N 2 1 363.502 0.718 20 30 FCEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@H+](CC#CCOC)CC3)C1 ZINC001107638811 1259139794 /nfs/dbraw/zinc/13/97/94/1259139794.db2.gz NDLIAYOJKGGIGL-NLWGTHIKSA-N 2 1 363.502 0.718 20 30 FCEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC#CCOC)CC3)C1 ZINC001107638811 1259139798 /nfs/dbraw/zinc/13/97/98/1259139798.db2.gz NDLIAYOJKGGIGL-NLWGTHIKSA-N 2 1 363.502 0.718 20 30 FCEDMP C#CC[NH2+]Cc1cccc(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001128107260 1259193079 /nfs/dbraw/zinc/19/30/79/1259193079.db2.gz OZZIBVXFHHGJPU-BPQIPLTHSA-N 2 1 355.486 0.840 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C2 ZINC001253181458 1259825221 /nfs/dbraw/zinc/82/52/21/1259825221.db2.gz FLAGZKOTDTUFTE-AZUAARDMSA-N 2 1 366.550 0.872 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2 ZINC001253181458 1259825225 /nfs/dbraw/zinc/82/52/25/1259825225.db2.gz FLAGZKOTDTUFTE-AZUAARDMSA-N 2 1 366.550 0.872 20 30 FCEDMP CN(C)C(=O)C[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCCC#N)CC3)[C@@H]2C1 ZINC001280186845 1261024654 /nfs/dbraw/zinc/02/46/54/1261024654.db2.gz WLBPDIIGXPDECF-HZPDHXFCSA-N 2 1 361.490 0.281 20 30 FCEDMP C#CCN1CCC(c2nnc(N(C)CCN3CCOCC3)n2CC)CC1 ZINC001340184845 1268463703 /nfs/dbraw/zinc/46/37/03/1268463703.db2.gz OKVMHNSCBVOCCS-UHFFFAOYSA-N 2 1 360.506 0.879 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](C)[C@H](C[NH2+]CCc3c[nH]nn3)C2)CC1 ZINC001574966926 1271687519 /nfs/dbraw/zinc/68/75/19/1271687519.db2.gz LHVPSAWKKBXKDL-FUHWJXTLSA-N 2 1 372.517 0.767 20 30 FCEDMP Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC[N@@H+](C)CCC[NH3+] ZINC001579910631 1277958745 /nfs/dbraw/zinc/95/87/45/1277958745.db2.gz QRYTWUQKTOLCCV-QGZVFWFLSA-N 2 1 360.510 0.434 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001754242572 1290625914 /nfs/dbraw/zinc/62/59/14/1290625914.db2.gz QDUHAKYPTUIKAE-NXHRZFHOSA-N 2 1 356.470 0.176 20 30 FCEDMP C#CCNC(=O)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001755273853 1290642920 /nfs/dbraw/zinc/64/29/20/1290642920.db2.gz GBAMICLVQCMXFV-ZGUYJTEBSA-N 2 1 362.518 0.825 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277581 844130540 /nfs/dbraw/zinc/13/05/40/844130540.db2.gz OJSNCMUGAKEFKH-MTNOOBJLSA-N 2 1 351.491 0.688 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277581 844130543 /nfs/dbraw/zinc/13/05/43/844130543.db2.gz OJSNCMUGAKEFKH-MTNOOBJLSA-N 2 1 351.491 0.688 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277581 844130546 /nfs/dbraw/zinc/13/05/46/844130546.db2.gz OJSNCMUGAKEFKH-MTNOOBJLSA-N 2 1 351.491 0.688 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@]2(C)C1 ZINC001101277581 844130549 /nfs/dbraw/zinc/13/05/49/844130549.db2.gz OJSNCMUGAKEFKH-MTNOOBJLSA-N 2 1 351.491 0.688 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101440761 844186479 /nfs/dbraw/zinc/18/64/79/844186479.db2.gz TYLJFKKKKHFAKM-APWZRJJASA-N 2 1 350.507 0.801 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101440761 844186482 /nfs/dbraw/zinc/18/64/82/844186482.db2.gz TYLJFKKKKHFAKM-APWZRJJASA-N 2 1 350.507 0.801 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)CCC)C[C@]2(C)C1 ZINC001101440761 844186484 /nfs/dbraw/zinc/18/64/84/844186484.db2.gz TYLJFKKKKHFAKM-APWZRJJASA-N 2 1 350.507 0.801 20 30 FCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081682158 839998844 /nfs/dbraw/zinc/99/88/44/839998844.db2.gz HLYARZNFCVPOPZ-TVFCKZIOSA-N 2 1 351.491 0.735 20 30 FCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081682158 839998852 /nfs/dbraw/zinc/99/88/52/839998852.db2.gz HLYARZNFCVPOPZ-TVFCKZIOSA-N 2 1 351.491 0.735 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C2)C1=O ZINC001102600753 844592410 /nfs/dbraw/zinc/59/24/10/844592410.db2.gz TZGPLUZNAWGCFN-ZACQAIPSSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)C1=O ZINC001102600753 844592413 /nfs/dbraw/zinc/59/24/13/844592413.db2.gz TZGPLUZNAWGCFN-ZACQAIPSSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C2)C1=O ZINC001102600753 844592420 /nfs/dbraw/zinc/59/24/20/844592420.db2.gz TZGPLUZNAWGCFN-ZACQAIPSSA-N 2 1 350.507 0.798 20 30 FCEDMP C=CCN1C[C@@]2(CC1=O)COCC[N@H+](CCCN1CC[NH+](C)CC1)C2 ZINC001276629963 861505097 /nfs/dbraw/zinc/50/50/97/861505097.db2.gz HZKLKXSDYYZVJD-IBGZPJMESA-N 2 1 350.507 0.361 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001104676240 844931477 /nfs/dbraw/zinc/93/14/77/844931477.db2.gz AYYXATKGEDBEIL-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001104873784 844953778 /nfs/dbraw/zinc/95/37/78/844953778.db2.gz FQKPFKBTAPQZIC-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001106271361 845146293 /nfs/dbraw/zinc/14/62/93/845146293.db2.gz CEWPLARUFHEMRX-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112159788 846425970 /nfs/dbraw/zinc/42/59/70/846425970.db2.gz AEPGJZMIUZGITB-VXGBXAGGSA-N 2 1 350.385 0.219 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001130307608 848998962 /nfs/dbraw/zinc/99/89/62/848998962.db2.gz VSAZTRRHCAUDKQ-APWZRJJASA-N 2 1 350.507 0.990 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC#CCOC)CCCO2)CC[N@@H+]1C ZINC001149737915 849646170 /nfs/dbraw/zinc/64/61/70/849646170.db2.gz ABHYEAFACQWVNJ-FGTMMUONSA-N 2 1 351.491 0.574 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[NH+](CC#CCOC)CCCO2)CC[N@H+]1C ZINC001149737915 849646176 /nfs/dbraw/zinc/64/61/76/849646176.db2.gz ABHYEAFACQWVNJ-FGTMMUONSA-N 2 1 351.491 0.574 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@H+](CC#CCOC)CCCO2)CC[NH+]1C ZINC001149737915 849646179 /nfs/dbraw/zinc/64/61/79/849646179.db2.gz ABHYEAFACQWVNJ-FGTMMUONSA-N 2 1 351.491 0.574 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC#CCOC)CCCO2)CC[NH+]1C ZINC001149737915 849646184 /nfs/dbraw/zinc/64/61/84/849646184.db2.gz ABHYEAFACQWVNJ-FGTMMUONSA-N 2 1 351.491 0.574 20 30 FCEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485339 850685727 /nfs/dbraw/zinc/68/57/27/850685727.db2.gz ATAKFTXVIIVLMD-BZUAXINKSA-N 2 1 354.495 0.272 20 30 FCEDMP C=CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485339 850685731 /nfs/dbraw/zinc/68/57/31/850685731.db2.gz ATAKFTXVIIVLMD-BZUAXINKSA-N 2 1 354.495 0.272 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001178522630 850904629 /nfs/dbraw/zinc/90/46/29/850904629.db2.gz NGQRZHBEIBWKCQ-BRWVUGGUSA-N 2 1 350.507 0.731 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925856 851733981 /nfs/dbraw/zinc/73/39/81/851733981.db2.gz GAYGILSCULYVPV-RCCFBDPRSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925856 851733984 /nfs/dbraw/zinc/73/39/84/851733984.db2.gz GAYGILSCULYVPV-RCCFBDPRSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925856 851733988 /nfs/dbraw/zinc/73/39/88/851733988.db2.gz GAYGILSCULYVPV-RCCFBDPRSA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925856 851733990 /nfs/dbraw/zinc/73/39/90/851733990.db2.gz GAYGILSCULYVPV-RCCFBDPRSA-N 2 1 351.491 0.831 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCC(F)(F)F)C[C@H]1O ZINC001193849145 852497353 /nfs/dbraw/zinc/49/73/53/852497353.db2.gz IZDVWSRACRTMTJ-QLFBSQMISA-N 2 1 361.408 0.978 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001215934535 855157945 /nfs/dbraw/zinc/15/79/45/855157945.db2.gz XJVPPTFJRHQRHR-QZTJIDSGSA-N 2 1 351.491 0.575 20 30 FCEDMP C=CCN1CC[N@@H+](C)C2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001253391291 857884601 /nfs/dbraw/zinc/88/46/01/857884601.db2.gz YGWUCXNULMUXOZ-MRXNPFEDSA-N 2 1 352.523 0.530 20 30 FCEDMP C=CCN1CC[N@H+](C)C2(CCN(C[C@H](O)C[NH2+]C(C)(C)C)CC2)C1=O ZINC001253391291 857884605 /nfs/dbraw/zinc/88/46/05/857884605.db2.gz YGWUCXNULMUXOZ-MRXNPFEDSA-N 2 1 352.523 0.530 20 30 FCEDMP CC[S@](=O)[C@@H]1CCC[C@H](NC(NC[C@@H]2C[N@@H+](C)CCN2C)=[NH+]C)C1 ZINC000261764662 529454681 /nfs/dbraw/zinc/45/46/81/529454681.db2.gz OPHSTRDREJIVNV-PBFDULQYSA-N 2 1 357.568 0.477 20 30 FCEDMP COCCOc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000264073052 229321241 /nfs/dbraw/zinc/32/12/41/229321241.db2.gz DSOFXHCZQDLFNG-UHFFFAOYSA-N 2 1 350.463 0.838 20 30 FCEDMP CC(C)[C@](C)(C#N)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171658411 488825458 /nfs/dbraw/zinc/82/54/58/488825458.db2.gz YRHLJRRJAYYTJB-SFHVURJKSA-N 2 1 351.495 0.431 20 30 FCEDMP C[N@@H+]1CC=C(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329214251 488981654 /nfs/dbraw/zinc/98/16/54/488981654.db2.gz KWLGBNFTQSRNMC-KRWDZBQOSA-N 2 1 364.490 0.918 20 30 FCEDMP C[N@H+]1CC=C(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329214251 488981656 /nfs/dbraw/zinc/98/16/56/488981656.db2.gz KWLGBNFTQSRNMC-KRWDZBQOSA-N 2 1 364.490 0.918 20 30 FCEDMP C[N@@H+]1CC=C(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329214251 488981659 /nfs/dbraw/zinc/98/16/59/488981659.db2.gz KWLGBNFTQSRNMC-KRWDZBQOSA-N 2 1 364.490 0.918 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000329441484 489004884 /nfs/dbraw/zinc/00/48/84/489004884.db2.gz NAQGPDUTJJYUEC-INIZCTEOSA-N 2 1 354.495 0.544 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000329549029 489015065 /nfs/dbraw/zinc/01/50/65/489015065.db2.gz OYXIFSBKWBZMAD-HOTGVXAUSA-N 2 1 354.495 0.400 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000296306956 489197310 /nfs/dbraw/zinc/19/73/10/489197310.db2.gz GCQYRPYZRPBGPN-GOSISDBHSA-N 2 1 372.517 0.846 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000296306956 489197314 /nfs/dbraw/zinc/19/73/14/489197314.db2.gz GCQYRPYZRPBGPN-GOSISDBHSA-N 2 1 372.517 0.846 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000557135495 491355712 /nfs/dbraw/zinc/35/57/12/491355712.db2.gz TZTNSEDREHQOOK-MRXNPFEDSA-N 2 1 350.507 0.990 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000579091191 491690592 /nfs/dbraw/zinc/69/05/92/491690592.db2.gz DKOPISFZCPTKRE-GOSISDBHSA-N 2 1 357.458 0.764 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000591241659 491800034 /nfs/dbraw/zinc/80/00/34/491800034.db2.gz VBNHCHUVICOGDR-SJORKVTESA-N 2 1 365.547 0.833 20 30 FCEDMP O=C1CC[C@@H]2C[N@@H+](CC#CC[NH+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@H]2N1 ZINC000661602098 493451138 /nfs/dbraw/zinc/45/11/38/493451138.db2.gz PYGJQZCJOSLONC-USTZCAOPSA-N 2 1 358.486 0.191 20 30 FCEDMP O=C1CC[C@@H]2C[NH+](CC#CC[N@@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@H]2N1 ZINC000661602098 493451141 /nfs/dbraw/zinc/45/11/41/493451141.db2.gz PYGJQZCJOSLONC-USTZCAOPSA-N 2 1 358.486 0.191 20 30 FCEDMP O=C1CC[C@@H]2C[NH+](CC#CC[N@H+]3CC[C@@H]4NC(=O)CC[C@H]4C3)CC[C@H]2N1 ZINC000661602098 493451144 /nfs/dbraw/zinc/45/11/44/493451144.db2.gz PYGJQZCJOSLONC-USTZCAOPSA-N 2 1 358.486 0.191 20 30 FCEDMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=[NH2+])N3CCOCC3)c2)C1 ZINC000267469468 534427168 /nfs/dbraw/zinc/42/71/68/534427168.db2.gz XJRYOWGRKXROHZ-QGZVFWFLSA-N 2 1 359.474 0.531 20 30 FCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@H]1CCc2nc(C)nn2C1 ZINC000262787216 526379707 /nfs/dbraw/zinc/37/97/07/526379707.db2.gz MUHBAGKCIKODHX-XJKSGUPXSA-N 2 1 351.524 0.504 20 30 FCEDMP C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262781147 526380068 /nfs/dbraw/zinc/38/00/68/526380068.db2.gz LLPBIOKGTWZREV-CRAIPNDOSA-N 2 1 367.563 0.596 20 30 FCEDMP C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262781147 526380070 /nfs/dbraw/zinc/38/00/70/526380070.db2.gz LLPBIOKGTWZREV-CRAIPNDOSA-N 2 1 367.563 0.596 20 30 FCEDMP C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261733235 526384124 /nfs/dbraw/zinc/38/41/24/526384124.db2.gz JTQLGKKBUSJKDS-GWCFXTLKSA-N 2 1 371.532 0.543 20 30 FCEDMP C[NH+]=C(NCc1cccnc1N1CC[NH+](C)CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000159694761 526385155 /nfs/dbraw/zinc/38/51/55/526385155.db2.gz PFEMWHLFLNCSPN-ZACQAIPSSA-N 2 1 358.490 0.818 20 30 FCEDMP CC[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261715154 528813251 /nfs/dbraw/zinc/81/32/51/528813251.db2.gz HRTFVWCMOMEZNW-YVEFUNNKSA-N 2 1 352.483 0.212 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264119540 529071377 /nfs/dbraw/zinc/07/13/77/529071377.db2.gz ULPXZIXJUOCTLQ-LJQANCHMSA-N 4 1 373.549 0.982 20 30 FCEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264119540 529071382 /nfs/dbraw/zinc/07/13/82/529071382.db2.gz ULPXZIXJUOCTLQ-LJQANCHMSA-N 3 1 373.549 0.982 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000264119540 529071386 /nfs/dbraw/zinc/07/13/86/529071386.db2.gz ULPXZIXJUOCTLQ-LJQANCHMSA-N 3 1 373.549 0.982 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000264124089 529071818 /nfs/dbraw/zinc/07/18/18/529071818.db2.gz VYIQHGRMWBOBPC-GOSISDBHSA-N 2 1 372.517 0.724 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnc(N2CCOCC2)c(F)c1 ZINC000184874374 529074017 /nfs/dbraw/zinc/07/40/17/529074017.db2.gz QSYFBBLZMROUSF-OAHLLOKOSA-N 2 1 364.469 0.946 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(S(N)(=O)=O)cc1 ZINC000264128573 529100449 /nfs/dbraw/zinc/10/04/49/529100449.db2.gz SPYFLLYYYAKRMR-AWEZNQCLSA-N 2 1 353.492 0.265 20 30 FCEDMP CN(C(=O)NCC#CCO)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000923775428 663933359 /nfs/dbraw/zinc/93/33/59/663933359.db2.gz OREONECVALNAJI-ZWKOTPCHSA-N 2 1 350.507 0.961 20 30 FCEDMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1 ZINC001033288785 667727398 /nfs/dbraw/zinc/72/73/98/667727398.db2.gz DCPOKGVSVVFANB-KSZLIROESA-N 2 1 351.491 0.975 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000890376479 673715221 /nfs/dbraw/zinc/71/52/21/673715221.db2.gz FXNFBJGATMTPOC-GOSISDBHSA-N 3 1 351.539 0.999 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000890376479 673715225 /nfs/dbraw/zinc/71/52/25/673715225.db2.gz FXNFBJGATMTPOC-GOSISDBHSA-N 3 1 351.539 0.999 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C)CC1 ZINC000988506791 1192237829 /nfs/dbraw/zinc/23/78/29/1192237829.db2.gz PQKCYTQMIDCNJX-RWQQGDIJSA-N 2 1 374.529 0.777 20 30 FCEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167093947 1168178152 /nfs/dbraw/zinc/17/81/52/1168178152.db2.gz YAIZBWFTDPQCSB-MSOLQXFVSA-N 2 1 356.470 0.177 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@H]1c1ccccc1 ZINC001211557207 1172066252 /nfs/dbraw/zinc/06/62/52/1172066252.db2.gz HAVKJMHDVPBMKZ-OTWHNJEPSA-N 2 1 368.481 0.414 20 30 FCEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112529516 1186083641 /nfs/dbraw/zinc/08/36/41/1186083641.db2.gz CSVNVCKMGFPSPA-GJYPPUQNSA-N 2 1 361.490 0.329 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000981625331 1186468368 /nfs/dbraw/zinc/46/83/68/1186468368.db2.gz LVOURYQZNUYCOL-MLHJIOFPSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000981625331 1186468369 /nfs/dbraw/zinc/46/83/69/1186468369.db2.gz LVOURYQZNUYCOL-MLHJIOFPSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000981625331 1186468371 /nfs/dbraw/zinc/46/83/71/1186468371.db2.gz LVOURYQZNUYCOL-MLHJIOFPSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000981625331 1186468373 /nfs/dbraw/zinc/46/83/73/1186468373.db2.gz LVOURYQZNUYCOL-MLHJIOFPSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001691518229 1188402475 /nfs/dbraw/zinc/40/24/75/1188402475.db2.gz IRPXEKKMUNENIW-YQVWRLOYSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1CC ZINC001691518229 1188402478 /nfs/dbraw/zinc/40/24/78/1188402478.db2.gz IRPXEKKMUNENIW-YQVWRLOYSA-N 2 1 362.518 0.825 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)C1=O ZINC001088042642 1190302037 /nfs/dbraw/zinc/30/20/37/1190302037.db2.gz AUUXSPJCROCTKB-FGTMMUONSA-N 2 1 371.485 0.759 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@@H]3C2)C1=O ZINC001088042642 1190302043 /nfs/dbraw/zinc/30/20/43/1190302043.db2.gz AUUXSPJCROCTKB-FGTMMUONSA-N 2 1 371.485 0.759 20 30 FCEDMP COCC#CCN1C[C@H]2OCCN(C(=O)c3ccc4cncn4c3C)[C@H]2C1 ZINC001218213579 1224147260 /nfs/dbraw/zinc/14/72/60/1224147260.db2.gz HIHMJHUKYNPURW-RBUKOAKNSA-N 2 1 368.437 0.818 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)CCC)C[C@@H]3C2)C1=O ZINC001691581942 1193735614 /nfs/dbraw/zinc/73/56/14/1193735614.db2.gz JIFCVNSWNIELQH-FGTMMUONSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CCC)C[C@@H]3C2)C1=O ZINC001691581942 1193735616 /nfs/dbraw/zinc/73/56/16/1193735616.db2.gz JIFCVNSWNIELQH-FGTMMUONSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)CCC)C[C@@H]3C2)C1=O ZINC001691581942 1193735619 /nfs/dbraw/zinc/73/56/19/1193735619.db2.gz JIFCVNSWNIELQH-FGTMMUONSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@H]2C1 ZINC001218757276 1224212962 /nfs/dbraw/zinc/21/29/62/1224212962.db2.gz ALDCAQJEQKFMFD-ZWKOTPCHSA-N 2 1 361.490 0.936 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCC[C@H](C)O)C[C@@H]32)CC1 ZINC001219050574 1224319316 /nfs/dbraw/zinc/31/93/16/1224319316.db2.gz GHEBMKQWACQHQO-YTQUADARSA-N 2 1 363.502 0.404 20 30 FCEDMP CCc1nncn1CCNC(NCCC[NH+]1CCOCC1)=[NH+]C(C)(C)C ZINC000912505640 1196349460 /nfs/dbraw/zinc/34/94/60/1196349460.db2.gz BONZJUGVIKIDPZ-UHFFFAOYSA-N 2 1 365.526 0.897 20 30 FCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001106570967 1198017025 /nfs/dbraw/zinc/01/70/25/1198017025.db2.gz HHYDXBRMJYBBLU-BRWVUGGUSA-N 2 1 363.506 0.432 20 30 FCEDMP N#Cc1cccc(C[C@H]([NH3+])C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)c1 ZINC001219794284 1224615372 /nfs/dbraw/zinc/61/53/72/1224615372.db2.gz VZXGOCDBYBJWNP-IBGZPJMESA-N 2 1 355.486 0.761 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918397 1200605498 /nfs/dbraw/zinc/60/54/98/1200605498.db2.gz GEUJRISCSOEPBM-YSHGAJCASA-N 2 1 374.529 0.966 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C2 ZINC001109918397 1200605502 /nfs/dbraw/zinc/60/55/02/1200605502.db2.gz GEUJRISCSOEPBM-YSHGAJCASA-N 2 1 374.529 0.966 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112564003 1200800721 /nfs/dbraw/zinc/80/07/21/1200800721.db2.gz YKVPGBDAFBSASY-UWVAXJGDSA-N 2 1 362.518 0.849 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CCC)C2 ZINC001112567547 1200802166 /nfs/dbraw/zinc/80/21/66/1200802166.db2.gz WEDBUFLPDMRWII-PXNSSMCTSA-N 2 1 362.518 0.686 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC=C)C[C@@H]2n2ccnn2)CC1 ZINC001129449228 1201311050 /nfs/dbraw/zinc/31/10/50/1201311050.db2.gz JRLVDVAAWOLPNH-MOPGFXCFSA-N 2 1 370.501 0.931 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912622 1201424643 /nfs/dbraw/zinc/42/46/43/1201424643.db2.gz RTESEGKZOCIVGO-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912622 1201424647 /nfs/dbraw/zinc/42/46/47/1201424647.db2.gz RTESEGKZOCIVGO-WCXIOVBPSA-N 2 1 362.478 0.305 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1 ZINC001129898421 1201432324 /nfs/dbraw/zinc/43/23/24/1201432324.db2.gz UWPQWSOXJMUITC-SQNIBIBYSA-N 2 1 356.474 0.683 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC=C(C)C)[C@@H](n2ccnn2)C1 ZINC001129898421 1201432331 /nfs/dbraw/zinc/43/23/31/1201432331.db2.gz UWPQWSOXJMUITC-SQNIBIBYSA-N 2 1 356.474 0.683 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001130140536 1201516050 /nfs/dbraw/zinc/51/60/50/1201516050.db2.gz ZFCNYESMOVRGTP-QYZOEREBSA-N 2 1 366.469 0.946 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](CC)[NH+](C)C)[nH]1 ZINC001130237764 1201560910 /nfs/dbraw/zinc/56/09/10/1201560910.db2.gz DGVGQZPTBULSSW-KKUMJFAQSA-N 2 1 362.478 0.247 20 30 FCEDMP CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[NH+](CC)CC)[nH]1 ZINC001130242323 1201563000 /nfs/dbraw/zinc/56/30/00/1201563000.db2.gz RAQOBWZJOULOSW-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130249080 1201569224 /nfs/dbraw/zinc/56/92/24/1201569224.db2.gz IUUJNAYNSCIETD-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001130249080 1201569229 /nfs/dbraw/zinc/56/92/29/1201569229.db2.gz IUUJNAYNSCIETD-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001130249080 1201569234 /nfs/dbraw/zinc/56/92/34/1201569234.db2.gz IUUJNAYNSCIETD-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130249080 1201569240 /nfs/dbraw/zinc/56/92/40/1201569240.db2.gz IUUJNAYNSCIETD-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130249080 1201569245 /nfs/dbraw/zinc/56/92/45/1201569245.db2.gz IUUJNAYNSCIETD-KKUMJFAQSA-N 2 1 362.478 0.411 20 30 FCEDMP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001130305042 1201581127 /nfs/dbraw/zinc/58/11/27/1201581127.db2.gz ITMJGSLTSSFDKH-XLIONFOSSA-N 2 1 362.518 0.827 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125772 1202866877 /nfs/dbraw/zinc/86/68/77/1202866877.db2.gz LLGRLFMAXAJKLO-JFIYKMOQSA-N 2 1 359.474 0.048 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cncn1C ZINC001131125772 1202866879 /nfs/dbraw/zinc/86/68/79/1202866879.db2.gz LLGRLFMAXAJKLO-JFIYKMOQSA-N 2 1 359.474 0.048 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001086721217 1203020326 /nfs/dbraw/zinc/02/03/26/1203020326.db2.gz LXOYBUNQNCBZTK-JZXOWHBKSA-N 2 1 371.485 0.957 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cncc(OC)n2)C1 ZINC001086721217 1203020329 /nfs/dbraw/zinc/02/03/29/1203020329.db2.gz LXOYBUNQNCBZTK-JZXOWHBKSA-N 2 1 371.485 0.957 20 30 FCEDMP C#CCNC(=O)CC[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000819039354 1203148166 /nfs/dbraw/zinc/14/81/66/1203148166.db2.gz BQOIDDXCCHOXLN-SFHVURJKSA-N 2 1 356.470 0.613 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1ccc(OC)cc1 ZINC001090875543 1203325673 /nfs/dbraw/zinc/32/56/73/1203325673.db2.gz ZKVHBYDBZOLNQL-XWPNQZOQSA-N 2 1 371.481 0.932 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1ccc(OC)cc1 ZINC001090875543 1203325677 /nfs/dbraw/zinc/32/56/77/1203325677.db2.gz ZKVHBYDBZOLNQL-XWPNQZOQSA-N 2 1 371.481 0.932 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993529 1204884754 /nfs/dbraw/zinc/88/47/54/1204884754.db2.gz DXHZBFBBTGSGAW-RCCFBDPRSA-N 2 1 361.490 0.599 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993529 1204884756 /nfs/dbraw/zinc/88/47/56/1204884756.db2.gz DXHZBFBBTGSGAW-RCCFBDPRSA-N 2 1 361.490 0.599 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)C1=O ZINC001091857462 1205052280 /nfs/dbraw/zinc/05/22/80/1205052280.db2.gz JJROQZIBYUIYFD-HLIPFELVSA-N 2 1 371.485 0.759 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4c[nH+]cc4C)C[C@]3(C)C2)C1=O ZINC001091857462 1205052286 /nfs/dbraw/zinc/05/22/86/1205052286.db2.gz JJROQZIBYUIYFD-HLIPFELVSA-N 2 1 371.485 0.759 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@]3(C)C2)C1=O ZINC001092275854 1205222147 /nfs/dbraw/zinc/22/21/47/1205222147.db2.gz TYPHIKYBXLAADL-UWVAXJGDSA-N 2 1 360.502 0.649 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001092689925 1205348624 /nfs/dbraw/zinc/34/86/24/1205348624.db2.gz SDBYCHOLAOACIB-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N2CCCC2)C[C@H]1C ZINC001092689925 1205348625 /nfs/dbraw/zinc/34/86/25/1205348625.db2.gz SDBYCHOLAOACIB-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001092689925 1205348626 /nfs/dbraw/zinc/34/86/26/1205348626.db2.gz SDBYCHOLAOACIB-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N2CCCC2)C[C@H]1C ZINC001092689925 1205348627 /nfs/dbraw/zinc/34/86/27/1205348627.db2.gz SDBYCHOLAOACIB-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCn3cccn3)C[C@H]2C)CC1 ZINC001093224379 1206062725 /nfs/dbraw/zinc/06/27/25/1206062725.db2.gz UAVKPLBIFLDHGC-IEBWSBKVSA-N 2 1 357.502 0.912 20 30 FCEDMP CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001187326334 1206520974 /nfs/dbraw/zinc/52/09/74/1206520974.db2.gz LSFHOUWKQSIKCU-YESZJQIVSA-N 2 1 361.490 0.375 20 30 FCEDMP N#CC1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CCN(Cc2ccccc2)CC1 ZINC001220643764 1224982492 /nfs/dbraw/zinc/98/24/92/1224982492.db2.gz RZGPFMZXZTZNHA-KRWDZBQOSA-N 2 1 353.470 0.470 20 30 FCEDMP CCCCCC[N@@H+](C)CC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001189453128 1207557348 /nfs/dbraw/zinc/55/73/48/1207557348.db2.gz DUEDZHPNGFROSJ-DLBZAZTESA-N 2 1 363.506 0.671 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351300 1207679664 /nfs/dbraw/zinc/67/96/64/1207679664.db2.gz UUXNCOVAZKOHSC-DLBZAZTESA-N 2 1 363.506 0.621 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001190351300 1207679667 /nfs/dbraw/zinc/67/96/67/1207679667.db2.gz UUXNCOVAZKOHSC-DLBZAZTESA-N 2 1 363.506 0.621 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001190351300 1207679670 /nfs/dbraw/zinc/67/96/70/1207679670.db2.gz UUXNCOVAZKOHSC-DLBZAZTESA-N 2 1 363.506 0.621 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001190351300 1207679671 /nfs/dbraw/zinc/67/96/71/1207679671.db2.gz UUXNCOVAZKOHSC-DLBZAZTESA-N 2 1 363.506 0.621 20 30 FCEDMP C=C[C@@H](O)C[NH+]1CCC2(C[C@H]2C(=O)NCCC[NH+]2CCN(C)CC2)CC1 ZINC001276815427 1225015549 /nfs/dbraw/zinc/01/55/49/1225015549.db2.gz PTHOBRNOMXAONH-MSOLQXFVSA-N 2 1 364.534 0.389 20 30 FCEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001221093742 1225220228 /nfs/dbraw/zinc/22/02/28/1225220228.db2.gz VVTPOYKRHRPQHS-MSOLQXFVSA-N 2 1 360.458 0.590 20 30 FCEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001221093742 1225220232 /nfs/dbraw/zinc/22/02/32/1225220232.db2.gz VVTPOYKRHRPQHS-MSOLQXFVSA-N 2 1 360.458 0.590 20 30 FCEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001221093742 1225220236 /nfs/dbraw/zinc/22/02/36/1225220236.db2.gz VVTPOYKRHRPQHS-MSOLQXFVSA-N 2 1 360.458 0.590 20 30 FCEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001221093742 1225220240 /nfs/dbraw/zinc/22/02/40/1225220240.db2.gz VVTPOYKRHRPQHS-MSOLQXFVSA-N 2 1 360.458 0.590 20 30 FCEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884234817 1210725185 /nfs/dbraw/zinc/72/51/85/1210725185.db2.gz FNTHAHXOUYGDLD-HVEKOLDVSA-N 3 1 354.458 0.911 20 30 FCEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1ccc(C#N)nc1)C2 ZINC001275923112 1211310070 /nfs/dbraw/zinc/31/00/70/1211310070.db2.gz OOXXJHGLNZGZQZ-IBGZPJMESA-N 2 1 357.458 0.566 20 30 FCEDMP C[NH+](C)CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(C#N)nc1)C2 ZINC001275923112 1211310074 /nfs/dbraw/zinc/31/00/74/1211310074.db2.gz OOXXJHGLNZGZQZ-IBGZPJMESA-N 2 1 357.458 0.566 20 30 FCEDMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000968962775 1212202806 /nfs/dbraw/zinc/20/28/06/1212202806.db2.gz ODDWYSYRYRNZJG-OTWHNJEPSA-N 2 1 363.502 0.860 20 30 FCEDMP C#CCN1CCCCC[C@H]1CNC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000968962775 1212202811 /nfs/dbraw/zinc/20/28/11/1212202811.db2.gz ODDWYSYRYRNZJG-OTWHNJEPSA-N 2 1 363.502 0.860 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3c[nH+]cc3C)C2)CC1 ZINC000949865049 1212475057 /nfs/dbraw/zinc/47/50/57/1212475057.db2.gz SJFUTESQFLQIGK-CRAIPNDOSA-N 2 1 371.485 0.500 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C2 ZINC001111406906 1212993390 /nfs/dbraw/zinc/99/33/90/1212993390.db2.gz GNXRMURAWPKWOY-TVFCKZIOSA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C2 ZINC001111406906 1212993392 /nfs/dbraw/zinc/99/33/92/1212993392.db2.gz GNXRMURAWPKWOY-TVFCKZIOSA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406906 1212993396 /nfs/dbraw/zinc/99/33/96/1212993396.db2.gz GNXRMURAWPKWOY-TVFCKZIOSA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001111406906 1212993398 /nfs/dbraw/zinc/99/33/98/1212993398.db2.gz GNXRMURAWPKWOY-TVFCKZIOSA-N 2 1 360.502 0.860 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001011211571 1213851626 /nfs/dbraw/zinc/85/16/26/1213851626.db2.gz AYXAKMMSKHLWID-KSZLIROESA-N 2 1 360.502 0.485 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001011211571 1213851629 /nfs/dbraw/zinc/85/16/29/1213851629.db2.gz AYXAKMMSKHLWID-KSZLIROESA-N 2 1 360.502 0.485 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001011211571 1213851633 /nfs/dbraw/zinc/85/16/33/1213851633.db2.gz AYXAKMMSKHLWID-KSZLIROESA-N 2 1 360.502 0.485 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001011211571 1213851637 /nfs/dbraw/zinc/85/16/37/1213851637.db2.gz AYXAKMMSKHLWID-KSZLIROESA-N 2 1 360.502 0.485 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C[C@@H]21 ZINC001222656717 1225642165 /nfs/dbraw/zinc/64/21/65/1225642165.db2.gz REYYQLLSNGXDEL-SQNIBIBYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C[C@@H]21 ZINC001222656717 1225642170 /nfs/dbraw/zinc/64/21/70/1225642170.db2.gz REYYQLLSNGXDEL-SQNIBIBYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656717 1225642174 /nfs/dbraw/zinc/64/21/74/1225642174.db2.gz REYYQLLSNGXDEL-SQNIBIBYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@H]21 ZINC001222656717 1225642177 /nfs/dbraw/zinc/64/21/77/1225642177.db2.gz REYYQLLSNGXDEL-SQNIBIBYSA-N 2 1 360.502 0.531 20 30 FCEDMP COCC#CCN1CC[C@@H]2CCN(C(=O)c3cc(CN(C)C)on3)C[C@@H]21 ZINC001223038916 1225674488 /nfs/dbraw/zinc/67/44/88/1225674488.db2.gz AKYNAAKTXVWYAY-QAPCUYQASA-N 2 1 360.458 0.922 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070026044 1216904219 /nfs/dbraw/zinc/90/42/19/1216904219.db2.gz YJNGTOKURNOWIX-NXHRZFHOSA-N 2 1 369.473 0.963 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)[C@@H](n2ccnn2)C1 ZINC001070026044 1216904225 /nfs/dbraw/zinc/90/42/25/1216904225.db2.gz YJNGTOKURNOWIX-NXHRZFHOSA-N 2 1 369.473 0.963 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223570966 1225717181 /nfs/dbraw/zinc/71/71/81/1225717181.db2.gz VDQCTTOMKRVECZ-BFYDXBDKSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570966 1225717183 /nfs/dbraw/zinc/71/71/83/1225717183.db2.gz VDQCTTOMKRVECZ-BFYDXBDKSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001097779563 1218845012 /nfs/dbraw/zinc/84/50/12/1218845012.db2.gz RKMLQQSHOFBGMP-ZJPYXAASSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1=O ZINC001097779563 1218845014 /nfs/dbraw/zinc/84/50/14/1218845014.db2.gz RKMLQQSHOFBGMP-ZJPYXAASSA-N 2 1 360.502 0.837 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001111456448 1218870109 /nfs/dbraw/zinc/87/01/09/1218870109.db2.gz DGGDIODBDFWYNO-OWYHZJEWSA-N 2 1 370.497 0.191 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001111456448 1218870111 /nfs/dbraw/zinc/87/01/11/1218870111.db2.gz DGGDIODBDFWYNO-OWYHZJEWSA-N 2 1 370.497 0.191 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NCC[NH+]2CCC(NC(=O)[C@H](C)C#N)CC2)CC[N@H+]1C ZINC001055583491 1219088250 /nfs/dbraw/zinc/08/82/50/1219088250.db2.gz PUKXHSWZIWSLLR-HYVNUMGLSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCC3CC3)C[C@@H]2n2ccnn2)CC1 ZINC001070102466 1219177954 /nfs/dbraw/zinc/17/79/54/1219177954.db2.gz LDYYDQKMFRISGR-MOPGFXCFSA-N 2 1 370.501 0.765 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070275495 1219342527 /nfs/dbraw/zinc/34/25/27/1219342527.db2.gz PCKLFZHPFFWPLM-UAGQMJEPSA-N 2 1 353.430 0.020 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070275494 1219342751 /nfs/dbraw/zinc/34/27/51/1219342751.db2.gz PCKLFZHPFFWPLM-OIISXLGYSA-N 2 1 353.430 0.020 20 30 FCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001071080005 1219601280 /nfs/dbraw/zinc/60/12/80/1219601280.db2.gz HVHNSRHVSHJUES-QRVBRYPASA-N 2 1 363.502 0.715 20 30 FCEDMP C#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001071080005 1219601283 /nfs/dbraw/zinc/60/12/83/1219601283.db2.gz HVHNSRHVSHJUES-QRVBRYPASA-N 2 1 363.502 0.715 20 30 FCEDMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccnc(C#N)c3)C2)C1=O ZINC001277296292 1225917612 /nfs/dbraw/zinc/91/76/12/1225917612.db2.gz BHZMHBPFSABWOL-IBGZPJMESA-N 2 1 355.442 0.856 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C2CC2)CC1 ZINC001098460856 1219787216 /nfs/dbraw/zinc/78/72/16/1219787216.db2.gz KXAKSLUGLLXOBF-QRVBRYPASA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C2CC2)CC1 ZINC001098460856 1219787219 /nfs/dbraw/zinc/78/72/19/1219787219.db2.gz KXAKSLUGLLXOBF-QRVBRYPASA-N 2 1 372.513 0.674 20 30 FCEDMP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001098676020 1219810053 /nfs/dbraw/zinc/81/00/53/1219810053.db2.gz JMLHTOLNNBNGSK-OKZBNKHCSA-N 2 1 358.490 0.895 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@]2(C)C1 ZINC001101363034 1220302329 /nfs/dbraw/zinc/30/23/29/1220302329.db2.gz MWSZWRNTETUBQM-UWVAXJGDSA-N 2 1 362.518 0.637 20 30 FCEDMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC1 ZINC001101382814 1220313017 /nfs/dbraw/zinc/31/30/17/1220313017.db2.gz XFGKRJBCBQSAJV-APWZRJJASA-N 2 1 361.490 0.138 20 30 FCEDMP C[NH+]1CCC(CC(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC1 ZINC001101382814 1220313023 /nfs/dbraw/zinc/31/30/23/1220313023.db2.gz XFGKRJBCBQSAJV-APWZRJJASA-N 2 1 361.490 0.138 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101382870 1220313094 /nfs/dbraw/zinc/31/30/94/1220313094.db2.gz ZNBNQQRDLGXUNB-XLIONFOSSA-N 2 1 362.518 0.801 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@@H+](CCOCCO)C[C@@]3(C)C2)CC1 ZINC001101473061 1220364900 /nfs/dbraw/zinc/36/49/00/1220364900.db2.gz DOIJZFGLRBZXPY-QUCCMNQESA-N 2 1 363.502 0.121 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045280 1220476007 /nfs/dbraw/zinc/47/60/07/1220476007.db2.gz ZXAYFRBBBGFWRC-KURKYZTESA-N 2 1 361.490 0.147 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045280 1220476009 /nfs/dbraw/zinc/47/60/09/1220476009.db2.gz ZXAYFRBBBGFWRC-KURKYZTESA-N 2 1 361.490 0.147 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102122972 1220510623 /nfs/dbraw/zinc/51/06/23/1220510623.db2.gz WXAGANDIEYKXRH-IXDOHACOSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2occc2C[NH+](C)C)[C@H](C)C1 ZINC001102285538 1220574144 /nfs/dbraw/zinc/57/41/44/1220574144.db2.gz WEXJBIXYRGYYPU-GDBMZVCRSA-N 2 1 360.458 0.388 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375497 1220598060 /nfs/dbraw/zinc/59/80/60/1220598060.db2.gz NABOCBSJOAXPIM-IXDOHACOSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375497 1220598063 /nfs/dbraw/zinc/59/80/63/1220598063.db2.gz NABOCBSJOAXPIM-IXDOHACOSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[C@H](C)C1 ZINC001102375497 1220598066 /nfs/dbraw/zinc/59/80/66/1220598066.db2.gz NABOCBSJOAXPIM-IXDOHACOSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419765 1220616414 /nfs/dbraw/zinc/61/64/14/1220616414.db2.gz TVITVEJZQBCPMF-HZPDHXFCSA-N 2 1 359.474 0.440 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC001102419765 1220616418 /nfs/dbraw/zinc/61/64/18/1220616418.db2.gz TVITVEJZQBCPMF-HZPDHXFCSA-N 2 1 359.474 0.440 20 30 FCEDMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)C(C)C ZINC001102472462 1220642981 /nfs/dbraw/zinc/64/29/81/1220642981.db2.gz DMVNOOMDYZWARS-NUJGCVRESA-N 2 1 365.522 0.677 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC001102596396 1220717530 /nfs/dbraw/zinc/71/75/30/1220717530.db2.gz CYJBTIDYBPZWKJ-FGTMMUONSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NCCC)C[C@H]2C)CC1 ZINC001102596641 1220717999 /nfs/dbraw/zinc/71/79/99/1220717999.db2.gz QPGRCHCEXIKPEY-SJLPKXTDSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)[C@H](C)C1 ZINC001102599186 1220721567 /nfs/dbraw/zinc/72/15/67/1220721567.db2.gz SLSCSVCGJUGLEB-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H](C)C1 ZINC001102601557 1220723849 /nfs/dbraw/zinc/72/38/49/1220723849.db2.gz IHMIPNGOMIHZIF-LMMKCTJWSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994178 1220817493 /nfs/dbraw/zinc/81/74/93/1220817493.db2.gz ULXRASBSEMNGBF-NXHRZFHOSA-N 2 1 360.502 0.152 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCOCCOC)C[C@H]1C ZINC001103099215 1220832646 /nfs/dbraw/zinc/83/26/46/1220832646.db2.gz DSXWHCFQVTYPQV-QRVBRYPASA-N 2 1 365.518 0.821 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCOCCOC)C[C@H]1C ZINC001103099215 1220832648 /nfs/dbraw/zinc/83/26/48/1220832648.db2.gz DSXWHCFQVTYPQV-QRVBRYPASA-N 2 1 365.518 0.821 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCOC)C[C@H]1C ZINC001103099215 1220832649 /nfs/dbraw/zinc/83/26/49/1220832649.db2.gz DSXWHCFQVTYPQV-QRVBRYPASA-N 2 1 365.518 0.821 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCOCCOC)C[C@H]1C ZINC001103099215 1220832650 /nfs/dbraw/zinc/83/26/50/1220832650.db2.gz DSXWHCFQVTYPQV-QRVBRYPASA-N 2 1 365.518 0.821 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCCC)C[C@H]1C ZINC001103098988 1220832764 /nfs/dbraw/zinc/83/27/64/1220832764.db2.gz VRDWVLFKEYSCSW-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCCC)C[C@H]1C ZINC001103098988 1220832766 /nfs/dbraw/zinc/83/27/66/1220832766.db2.gz VRDWVLFKEYSCSW-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCCC)C[C@H]1C ZINC001103098988 1220832767 /nfs/dbraw/zinc/83/27/67/1220832767.db2.gz VRDWVLFKEYSCSW-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCCC)C[C@H]1C ZINC001103098988 1220832768 /nfs/dbraw/zinc/83/27/68/1220832768.db2.gz VRDWVLFKEYSCSW-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234211 1220854943 /nfs/dbraw/zinc/85/49/43/1220854943.db2.gz GPUWRBMLIQORDS-HYVNUMGLSA-N 2 1 359.474 0.404 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001103234211 1220854944 /nfs/dbraw/zinc/85/49/44/1220854944.db2.gz GPUWRBMLIQORDS-HYVNUMGLSA-N 2 1 359.474 0.404 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001103570879 1220904704 /nfs/dbraw/zinc/90/47/04/1220904704.db2.gz JYYRNLAXJHBMCM-QZTJIDSGSA-N 2 1 362.518 0.542 20 30 FCEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001103755400 1220965212 /nfs/dbraw/zinc/96/52/12/1220965212.db2.gz GAVJDJMAKDLHPX-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103755400 1220965216 /nfs/dbraw/zinc/96/52/16/1220965216.db2.gz GAVJDJMAKDLHPX-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103755400 1220965219 /nfs/dbraw/zinc/96/52/19/1220965219.db2.gz GAVJDJMAKDLHPX-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868801 1221143382 /nfs/dbraw/zinc/14/33/82/1221143382.db2.gz LXMXRIJRRZOXJM-QKLQHJQFSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001111868801 1221143392 /nfs/dbraw/zinc/14/33/92/1221143392.db2.gz LXMXRIJRRZOXJM-QKLQHJQFSA-N 2 1 362.518 0.827 20 30 FCEDMP C[N@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2)CC(C)(C)C ZINC001111872939 1221145437 /nfs/dbraw/zinc/14/54/37/1221145437.db2.gz ATTFAFXGMCEESM-KXBFYZLASA-N 2 1 363.506 0.575 20 30 FCEDMP C[N@@H+](CC(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2)CC(C)(C)C ZINC001111872939 1221145441 /nfs/dbraw/zinc/14/54/41/1221145441.db2.gz ATTFAFXGMCEESM-KXBFYZLASA-N 2 1 363.506 0.575 20 30 FCEDMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2)CC(C)(C)C ZINC001111872939 1221145443 /nfs/dbraw/zinc/14/54/43/1221145443.db2.gz ATTFAFXGMCEESM-KXBFYZLASA-N 2 1 363.506 0.575 20 30 FCEDMP C[NH+](CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2)CC(C)(C)C ZINC001111872939 1221145446 /nfs/dbraw/zinc/14/54/46/1221145446.db2.gz ATTFAFXGMCEESM-KXBFYZLASA-N 2 1 363.506 0.575 20 30 FCEDMP C[N@@H+](CC(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001112401778 1221252518 /nfs/dbraw/zinc/25/25/18/1221252518.db2.gz XQGJOWQPPWKANG-KXBFYZLASA-N 2 1 361.490 0.329 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001119364813 1221906801 /nfs/dbraw/zinc/90/68/01/1221906801.db2.gz SIPJNZPUWFRFIH-KRWDZBQOSA-N 2 1 361.490 0.034 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001119364813 1221906805 /nfs/dbraw/zinc/90/68/05/1221906805.db2.gz SIPJNZPUWFRFIH-KRWDZBQOSA-N 2 1 361.490 0.034 20 30 FCEDMP N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])C3)C2)n1 ZINC001158782237 1223108800 /nfs/dbraw/zinc/10/88/00/1223108800.db2.gz MZZVXEUKFAHHNI-QFBILLFUSA-N 2 1 372.473 0.075 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001165729003 1223255633 /nfs/dbraw/zinc/25/56/33/1223255633.db2.gz XOWLEFLIPABWHE-BZUAXINKSA-N 2 1 366.506 0.272 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001165729003 1223255635 /nfs/dbraw/zinc/25/56/35/1223255635.db2.gz XOWLEFLIPABWHE-BZUAXINKSA-N 2 1 366.506 0.272 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCc3cncn3C)C2)C1=O ZINC001210723938 1223704895 /nfs/dbraw/zinc/70/48/95/1223704895.db2.gz QRFIOQLGRDWXOL-DJIMGWMZSA-N 2 1 359.474 0.576 20 30 FCEDMP C=CCN1CC[C@@H](N2C[C@@H](C)[C@H](NC(=O)CCc3cncn3C)C2)C1=O ZINC001210723938 1223704897 /nfs/dbraw/zinc/70/48/97/1223704897.db2.gz QRFIOQLGRDWXOL-DJIMGWMZSA-N 2 1 359.474 0.576 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]2C)CC1 ZINC001211307251 1223733751 /nfs/dbraw/zinc/73/37/51/1223733751.db2.gz PRRPUMSFXVWNBQ-SJLPKXTDSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]2C)CC1 ZINC001211307251 1223733755 /nfs/dbraw/zinc/73/37/55/1223733755.db2.gz PRRPUMSFXVWNBQ-SJLPKXTDSA-N 2 1 362.518 0.540 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@H]1C ZINC001215413358 1223997971 /nfs/dbraw/zinc/99/79/71/1223997971.db2.gz CQXPASQFZOHFJX-UKPHBRMFSA-N 2 1 359.474 0.493 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216082237 1224033803 /nfs/dbraw/zinc/03/38/03/1224033803.db2.gz WUBCMIDDSAXDHG-RHSMWYFYSA-N 2 1 368.441 0.620 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C[C@H]1C ZINC001216351999 1224045805 /nfs/dbraw/zinc/04/58/05/1224045805.db2.gz IVZJSIYOGLHGIB-POAQFYNOSA-N 2 1 370.497 0.865 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000884371755 1245441568 /nfs/dbraw/zinc/44/15/68/1245441568.db2.gz WTABSODBQXRFEZ-KRWDZBQOSA-N 2 1 363.506 0.375 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000884371755 1245441570 /nfs/dbraw/zinc/44/15/70/1245441570.db2.gz WTABSODBQXRFEZ-KRWDZBQOSA-N 2 1 363.506 0.375 20 30 FCEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413482 1245717454 /nfs/dbraw/zinc/71/74/54/1245717454.db2.gz DZEXTEZGARZVRQ-KONPQCLYSA-N 2 1 372.425 0.165 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000994415850 1250439436 /nfs/dbraw/zinc/43/94/36/1250439436.db2.gz FSMZFONZGLOZDR-TVFCKZIOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000994415850 1250439439 /nfs/dbraw/zinc/43/94/39/1250439439.db2.gz FSMZFONZGLOZDR-TVFCKZIOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000994415850 1250439443 /nfs/dbraw/zinc/43/94/43/1250439443.db2.gz FSMZFONZGLOZDR-TVFCKZIOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000994415850 1250439449 /nfs/dbraw/zinc/43/94/49/1250439449.db2.gz FSMZFONZGLOZDR-TVFCKZIOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003366918 1252877935 /nfs/dbraw/zinc/87/79/35/1252877935.db2.gz YYICQZJBIJGJTO-MKXGPGLRSA-N 2 1 372.513 0.531 20 30 FCEDMP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370849 1254025639 /nfs/dbraw/zinc/02/56/39/1254025639.db2.gz QKWQYBHOANXZPW-OTWHNJEPSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001035370849 1254025649 /nfs/dbraw/zinc/02/56/49/1254025649.db2.gz QKWQYBHOANXZPW-OTWHNJEPSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCO3)C[C@H]2OC)CC1 ZINC001082384195 1256734614 /nfs/dbraw/zinc/73/46/14/1256734614.db2.gz IGTSZSOULFNFMI-GUDVDZBRSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001082567988 1256873550 /nfs/dbraw/zinc/87/35/50/1256873550.db2.gz QAEZEJOQOAIISN-OIISXLGYSA-N 2 1 357.458 0.519 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(OC)nn2)C1 ZINC001082567988 1256873560 /nfs/dbraw/zinc/87/35/60/1256873560.db2.gz QAEZEJOQOAIISN-OIISXLGYSA-N 2 1 357.458 0.519 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnnn3C3CC3)C2)CC1 ZINC001082941321 1257159359 /nfs/dbraw/zinc/15/93/59/1257159359.db2.gz GUBPWIMBUWNKIX-RHSMWYFYSA-N 2 1 371.489 0.290 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001084090406 1257915087 /nfs/dbraw/zinc/91/50/87/1257915087.db2.gz YQNCDPXCILCZNF-QRVBRYPASA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001084850145 1258399614 /nfs/dbraw/zinc/39/96/14/1258399614.db2.gz MCTJRRNCXGEFQG-FGTMMUONSA-N 2 1 358.486 0.095 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001084850145 1258399621 /nfs/dbraw/zinc/39/96/21/1258399621.db2.gz MCTJRRNCXGEFQG-FGTMMUONSA-N 2 1 358.486 0.095 20 30 FCEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001106765765 1258958366 /nfs/dbraw/zinc/95/83/66/1258958366.db2.gz STXVOSHYVGROGY-RTBURBONSA-N 2 1 365.518 0.823 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cc3[nH]cnc3C)CCC[C@@H]12 ZINC001107620314 1259135964 /nfs/dbraw/zinc/13/59/64/1259135964.db2.gz JHDMCYYBJXCDGA-VQIMIIECSA-N 2 1 359.474 0.924 20 30 FCEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252461947 1259788565 /nfs/dbraw/zinc/78/85/65/1259788565.db2.gz BRULTZFKDRMRGT-VAMGGRTRSA-N 2 1 367.534 0.811 20 30 FCEDMP C=CCOC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001252461947 1259788571 /nfs/dbraw/zinc/78/85/71/1259788571.db2.gz BRULTZFKDRMRGT-VAMGGRTRSA-N 2 1 367.534 0.811 20 30 FCEDMP C=CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001252461947 1259788578 /nfs/dbraw/zinc/78/85/78/1259788578.db2.gz BRULTZFKDRMRGT-VAMGGRTRSA-N 2 1 367.534 0.811 20 30 FCEDMP C=C1CCN(c2nnc([C@H]3CCC[NH2+]C3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001574867461 1271619032 /nfs/dbraw/zinc/61/90/32/1271619032.db2.gz QFZYNZOAZWDPFW-QFBILLFUSA-N 2 1 360.506 0.968 20 30 FCEDMP CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCC[NH2+]C3)nnc2N2CCO[C@H](C#N)C2)C1 ZINC001577763693 1274849194 /nfs/dbraw/zinc/84/91/94/1274849194.db2.gz HNZSJWYIUBWBBO-GVDBMIGSSA-N 2 1 373.505 0.816 20 30 FCEDMP COCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([NH3+])C1 ZINC001579021042 1276599550 /nfs/dbraw/zinc/59/95/50/1276599550.db2.gz KMBWIYFBXFQYTP-KRWDZBQOSA-N 2 1 369.473 0.932 20 30 FCEDMP C=CCNC(=O)C[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001753027905 1290617822 /nfs/dbraw/zinc/61/78/22/1290617822.db2.gz UQARMUJCQCFJDR-BRWVUGGUSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753027905 1290617827 /nfs/dbraw/zinc/61/78/27/1290617827.db2.gz UQARMUJCQCFJDR-BRWVUGGUSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001753027905 1290617831 /nfs/dbraw/zinc/61/78/31/1290617831.db2.gz UQARMUJCQCFJDR-BRWVUGGUSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001690811389 1294885223 /nfs/dbraw/zinc/88/52/23/1294885223.db2.gz QIPKXYUVYKCTIV-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001690811389 1294885238 /nfs/dbraw/zinc/88/52/38/1294885238.db2.gz QIPKXYUVYKCTIV-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001690811389 1294885246 /nfs/dbraw/zinc/88/52/46/1294885246.db2.gz QIPKXYUVYKCTIV-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001690811389 1294885258 /nfs/dbraw/zinc/88/52/58/1294885258.db2.gz QIPKXYUVYKCTIV-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1n1ccnn1 ZINC001070311223 837645657 /nfs/dbraw/zinc/64/56/57/837645657.db2.gz SOGUEQWOGAMDRY-KGLIPLIRSA-N 2 1 350.854 0.468 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001102059254 844399518 /nfs/dbraw/zinc/39/95/18/844399518.db2.gz HWXTWPKCONLOPW-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001102059254 844399528 /nfs/dbraw/zinc/39/95/28/844399528.db2.gz HWXTWPKCONLOPW-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001102059254 844399534 /nfs/dbraw/zinc/39/95/34/844399534.db2.gz HWXTWPKCONLOPW-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001102312949 844465145 /nfs/dbraw/zinc/46/51/45/844465145.db2.gz WDVGFUNUIZTRQC-BFYDXBDKSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001103374800 844744863 /nfs/dbraw/zinc/74/48/63/844744863.db2.gz MGIOYEQYPQMFER-HZPDHXFCSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001106669004 845220216 /nfs/dbraw/zinc/22/02/16/845220216.db2.gz TYSNRMYAOWBHLB-HZPDHXFCSA-N 2 1 350.507 0.705 20 30 FCEDMP C=C[C@H](O)C[N@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276814213 861623370 /nfs/dbraw/zinc/62/33/70/861623370.db2.gz FLNCMNJAAQVKNY-HKUYNNGSSA-N 2 1 350.507 0.095 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCC[NH+]3CCN(C)CC3)C2=O)C1 ZINC001276814213 861623380 /nfs/dbraw/zinc/62/33/80/861623380.db2.gz FLNCMNJAAQVKNY-HKUYNNGSSA-N 2 1 350.507 0.095 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C(F)(F)F ZINC001112120253 846398329 /nfs/dbraw/zinc/39/83/29/846398329.db2.gz LBHWOJLKDFTPER-JHJVBQTASA-N 2 1 362.396 0.055 20 30 FCEDMP C=C(C)C[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313188 849093383 /nfs/dbraw/zinc/09/33/83/849093383.db2.gz JNNHJHAITTXWSN-OAGGEKHMSA-N 2 1 350.463 0.620 20 30 FCEDMP C=C(C)C[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001131313188 849093388 /nfs/dbraw/zinc/09/33/88/849093388.db2.gz JNNHJHAITTXWSN-OAGGEKHMSA-N 2 1 350.463 0.620 20 30 FCEDMP C=CCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001149881192 849650006 /nfs/dbraw/zinc/65/00/06/849650006.db2.gz HKZPBGZNMSAUOS-IXDOHACOSA-N 2 1 355.479 0.115 20 30 FCEDMP C=CCOCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001149881192 849650010 /nfs/dbraw/zinc/65/00/10/849650010.db2.gz HKZPBGZNMSAUOS-IXDOHACOSA-N 2 1 355.479 0.115 20 30 FCEDMP C=CCOCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881192 849650014 /nfs/dbraw/zinc/65/00/14/849650014.db2.gz HKZPBGZNMSAUOS-IXDOHACOSA-N 2 1 355.479 0.115 20 30 FCEDMP C=CCOCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001149881192 849650018 /nfs/dbraw/zinc/65/00/18/849650018.db2.gz HKZPBGZNMSAUOS-IXDOHACOSA-N 2 1 355.479 0.115 20 30 FCEDMP C=C[C@@H]1C[C@]1([NH3+])C(=O)N(CCC[NH+]1CCOCC1)CC1CC[NH2+]CC1 ZINC001161197058 850239103 /nfs/dbraw/zinc/23/91/03/850239103.db2.gz XHUWSDQUMTWERW-IEBWSBKVSA-N 3 1 350.507 0.440 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164576089 850417790 /nfs/dbraw/zinc/41/77/90/850417790.db2.gz NNUVUFBNUPULKH-ARFHVFGLSA-N 2 1 350.507 0.893 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925855 851734158 /nfs/dbraw/zinc/73/41/58/851734158.db2.gz GAYGILSCULYVPV-KSZLIROESA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925855 851734163 /nfs/dbraw/zinc/73/41/63/851734163.db2.gz GAYGILSCULYVPV-KSZLIROESA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925855 851734164 /nfs/dbraw/zinc/73/41/64/851734164.db2.gz GAYGILSCULYVPV-KSZLIROESA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@@H]2C1 ZINC001188925855 851734170 /nfs/dbraw/zinc/73/41/70/851734170.db2.gz GAYGILSCULYVPV-KSZLIROESA-N 2 1 351.491 0.831 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001205340386 853604834 /nfs/dbraw/zinc/60/48/34/853604834.db2.gz YDSHFZFLTAFVQP-ZMSDIMECSA-N 2 1 350.507 0.846 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626795 854042606 /nfs/dbraw/zinc/04/26/06/854042606.db2.gz ZPFIFMMQZZAVBE-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209626795 854042613 /nfs/dbraw/zinc/04/26/13/854042613.db2.gz ZPFIFMMQZZAVBE-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209958128 854067924 /nfs/dbraw/zinc/06/79/24/854067924.db2.gz UKKJEJLLMZTDGU-NVXWUHKLSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001209958128 854067933 /nfs/dbraw/zinc/06/79/33/854067933.db2.gz UKKJEJLLMZTDGU-NVXWUHKLSA-N 2 1 350.507 0.846 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211374199 854185518 /nfs/dbraw/zinc/18/55/18/854185518.db2.gz CLFWHZLTAWXUDJ-HZPDHXFCSA-N 2 1 351.495 0.525 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211374199 854185523 /nfs/dbraw/zinc/18/55/23/854185523.db2.gz CLFWHZLTAWXUDJ-HZPDHXFCSA-N 2 1 351.495 0.525 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211374199 854185527 /nfs/dbraw/zinc/18/55/27/854185527.db2.gz CLFWHZLTAWXUDJ-HZPDHXFCSA-N 2 1 351.495 0.525 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211374199 854185531 /nfs/dbraw/zinc/18/55/31/854185531.db2.gz CLFWHZLTAWXUDJ-HZPDHXFCSA-N 2 1 351.495 0.525 20 30 FCEDMP C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877542 855857369 /nfs/dbraw/zinc/85/73/69/855857369.db2.gz KRFIAPKOUGDGRE-BBWFWOEESA-N 2 1 353.507 0.861 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)CC ZINC001227149700 857145746 /nfs/dbraw/zinc/14/57/46/857145746.db2.gz DCYXMVPXENLSML-ARFHVFGLSA-N 2 1 350.507 0.872 20 30 FCEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001252596249 857822808 /nfs/dbraw/zinc/82/28/08/857822808.db2.gz OYYDHLFADASEGR-KRWDZBQOSA-N 2 1 353.507 0.816 20 30 FCEDMP C=CCC[C@H](O)C[NH+]1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001252596249 857822813 /nfs/dbraw/zinc/82/28/13/857822813.db2.gz OYYDHLFADASEGR-KRWDZBQOSA-N 2 1 353.507 0.816 20 30 FCEDMP C=CCN1CC[N@@H+](C)C2(CCN(C[C@@H](O)C[NH+](CC)CC)CC2)C1=O ZINC001253185298 857870369 /nfs/dbraw/zinc/87/03/69/857870369.db2.gz FCVOYDXHINSNFU-KRWDZBQOSA-N 2 1 352.523 0.484 20 30 FCEDMP C=CCN1CC[N@H+](C)C2(CCN(C[C@@H](O)C[NH+](CC)CC)CC2)C1=O ZINC001253185298 857870371 /nfs/dbraw/zinc/87/03/71/857870371.db2.gz FCVOYDXHINSNFU-KRWDZBQOSA-N 2 1 352.523 0.484 20 30 FCEDMP COc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1OC ZINC000264096444 533477550 /nfs/dbraw/zinc/47/75/50/533477550.db2.gz MCYLXLWEZBBNSV-UHFFFAOYSA-N 2 1 350.463 0.873 20 30 FCEDMP [NH2+]=C(NCCCNC(=O)c1cccc(O)c1)NCCC[NH+]1CCOCC1 ZINC000264244942 229328632 /nfs/dbraw/zinc/32/86/32/229328632.db2.gz FWOCWQBNRHAQTO-UHFFFAOYSA-N 2 1 363.462 0.139 20 30 FCEDMP COc1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)ccc1OCCO ZINC000264086379 533710576 /nfs/dbraw/zinc/71/05/76/533710576.db2.gz JOCIDBBISKMXKQ-UHFFFAOYSA-N 2 1 366.462 0.193 20 30 FCEDMP CC(C)(C)OC(=O)N1CCN2C(NCCC[NH+]3CCOCC3)=[NH+]C[C@@H]2C1 ZINC000305013029 488894038 /nfs/dbraw/zinc/89/40/38/488894038.db2.gz KZZBWHCKAMSKJC-OAHLLOKOSA-N 2 1 367.494 0.589 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(N2CCOCC2)n1 ZINC000274729344 488730317 /nfs/dbraw/zinc/73/03/17/488730317.db2.gz CCJSYZWCVXSQFC-UHFFFAOYSA-N 2 1 362.478 0.045 20 30 FCEDMP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](C)CCCn3ccnc3)CC2)o1 ZINC000181115258 488863025 /nfs/dbraw/zinc/86/30/25/488863025.db2.gz PSTFTKPLQPJOAN-UHFFFAOYSA-N 2 1 371.445 0.722 20 30 FCEDMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000329399217 489001443 /nfs/dbraw/zinc/00/14/43/489001443.db2.gz YJEOCADNTZCTAQ-SFHVURJKSA-N 2 1 367.538 0.581 20 30 FCEDMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CC[N@H+]1C ZINC000330153098 489074215 /nfs/dbraw/zinc/07/42/15/489074215.db2.gz XACZTDVMKHLCQX-BZUAXINKSA-N 2 1 351.495 0.622 20 30 FCEDMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC[NH+]1C ZINC000330153098 489074217 /nfs/dbraw/zinc/07/42/17/489074217.db2.gz XACZTDVMKHLCQX-BZUAXINKSA-N 2 1 351.495 0.622 20 30 FCEDMP C[C@@H]1C[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC[NH+]1C ZINC000330153098 489074220 /nfs/dbraw/zinc/07/42/20/489074220.db2.gz XACZTDVMKHLCQX-BZUAXINKSA-N 2 1 351.495 0.622 20 30 FCEDMP COCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000330220748 489081480 /nfs/dbraw/zinc/08/14/80/489081480.db2.gz KZZXPNOGLREMHF-IAGOWNOFSA-N 2 1 354.495 0.542 20 30 FCEDMP C[C@@H]1CN(c2nccnc2C#N)CCN1CCC(=O)N1CCN(C)CC1 ZINC000283102943 489215418 /nfs/dbraw/zinc/21/54/18/489215418.db2.gz LXZASAYEFNUESQ-OAHLLOKOSA-N 2 1 357.462 0.023 20 30 FCEDMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1C#N)C2 ZINC000530235903 490895220 /nfs/dbraw/zinc/89/52/20/490895220.db2.gz LJUJGJMMQXVEDU-SJORKVTESA-N 2 1 370.453 0.942 20 30 FCEDMP CN(CCC#N)C[C@H](O)CNc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000518170875 490932062 /nfs/dbraw/zinc/93/20/62/490932062.db2.gz JCXCWBDCZFZRPJ-LJQANCHMSA-N 2 1 373.501 0.621 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000561441270 491609298 /nfs/dbraw/zinc/60/92/98/491609298.db2.gz QYKPWJDAFVZCAZ-QGZVFWFLSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000561441270 491609299 /nfs/dbraw/zinc/60/92/99/491609299.db2.gz QYKPWJDAFVZCAZ-QGZVFWFLSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000578882304 491686402 /nfs/dbraw/zinc/68/64/02/491686402.db2.gz ZNQAUHLXROJGJR-SFHVURJKSA-N 2 1 361.486 0.909 20 30 FCEDMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000595984133 491968706 /nfs/dbraw/zinc/96/87/06/491968706.db2.gz FDSXIEVQYLXWMS-UHFFFAOYSA-N 2 1 371.485 0.788 20 30 FCEDMP CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000595984133 491968708 /nfs/dbraw/zinc/96/87/08/491968708.db2.gz FDSXIEVQYLXWMS-UHFFFAOYSA-N 2 1 371.485 0.788 20 30 FCEDMP C[NH+]=C(NCC1([NH+](C)C)CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261641761 526350108 /nfs/dbraw/zinc/35/01/08/526350108.db2.gz DJCAEGSJUGTPIZ-QGZVFWFLSA-N 3 1 367.538 0.327 20 30 FCEDMP C[NH+]=C(NCC1(CO)CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261663287 526350398 /nfs/dbraw/zinc/35/03/98/526350398.db2.gz GCFGGTRSLKGGQD-INIZCTEOSA-N 2 1 354.495 0.005 20 30 FCEDMP C[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261661513 526357139 /nfs/dbraw/zinc/35/71/39/526357139.db2.gz FXVLKWKMOKCDKQ-HNNXBMFYSA-N 2 1 361.494 0.376 20 30 FCEDMP C[NH+]=C(NCCn1cc[nH+]c1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261714989 526367777 /nfs/dbraw/zinc/36/77/77/526367777.db2.gz HQNCXKYLHJJKBV-KRWDZBQOSA-N 2 1 361.450 0.077 20 30 FCEDMP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCN1C)N1CCN(c2ccc(F)cc2)CC1 ZINC000262812115 526377323 /nfs/dbraw/zinc/37/73/23/526377323.db2.gz USDGCULIVDXMAH-SFHVURJKSA-N 2 1 362.497 0.769 20 30 FCEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000262567070 527812008 /nfs/dbraw/zinc/81/20/08/527812008.db2.gz LXTFPJNLKYEMDQ-CVEARBPZSA-N 2 1 351.495 0.227 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](C)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262594783 528809519 /nfs/dbraw/zinc/80/95/19/528809519.db2.gz WIEABIONMZADNO-JKSUJKDBSA-N 2 1 351.495 0.227 20 30 FCEDMP CO[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)N(C)C1 ZINC000329221151 546550195 /nfs/dbraw/zinc/55/01/95/546550195.db2.gz UKTYZCUBGPOXPH-AQBKWJQSSA-N 2 1 352.479 0.746 20 30 FCEDMP CO[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)[N@H+](C)C1 ZINC000329221151 546550201 /nfs/dbraw/zinc/55/02/01/546550201.db2.gz UKTYZCUBGPOXPH-AQBKWJQSSA-N 2 1 352.479 0.746 20 30 FCEDMP CO[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)[NH+](C)C1 ZINC000329221151 546550214 /nfs/dbraw/zinc/55/02/14/546550214.db2.gz UKTYZCUBGPOXPH-AQBKWJQSSA-N 2 1 352.479 0.746 20 30 FCEDMP CO[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[NH+](C)C1 ZINC000329221151 546550218 /nfs/dbraw/zinc/55/02/18/546550218.db2.gz UKTYZCUBGPOXPH-AQBKWJQSSA-N 2 1 352.479 0.746 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000550654131 547094445 /nfs/dbraw/zinc/09/44/45/547094445.db2.gz LUKPIGSFCTULDB-INIZCTEOSA-N 2 1 350.507 0.991 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000303986891 674574228 /nfs/dbraw/zinc/57/42/28/674574228.db2.gz UXHIOTPKWSJKGA-HZPDHXFCSA-N 3 1 352.527 0.318 20 30 FCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303986891 674574230 /nfs/dbraw/zinc/57/42/30/674574230.db2.gz UXHIOTPKWSJKGA-HZPDHXFCSA-N 3 1 352.527 0.318 20 30 FCEDMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303986891 674574233 /nfs/dbraw/zinc/57/42/33/674574233.db2.gz UXHIOTPKWSJKGA-HZPDHXFCSA-N 3 1 352.527 0.318 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CCN(CC(F)(F)F)CC1 ZINC000187127156 667819405 /nfs/dbraw/zinc/81/94/05/667819405.db2.gz RUYCKOYYKDLBCL-UHFFFAOYSA-N 2 1 365.444 0.887 20 30 FCEDMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[N@H+]2C)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104310965 1169885130 /nfs/dbraw/zinc/88/51/30/1169885130.db2.gz LQGTUIMHIKLTAM-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000988734974 1192422935 /nfs/dbraw/zinc/42/29/35/1192422935.db2.gz RKWXBCOSBUIZBN-NJAFHUGGSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000988734974 1192422941 /nfs/dbraw/zinc/42/29/41/1192422941.db2.gz RKWXBCOSBUIZBN-NJAFHUGGSA-N 2 1 360.502 0.531 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422326 1171952334 /nfs/dbraw/zinc/95/23/34/1171952334.db2.gz MAJXFDVVYWKUKX-HYVNUMGLSA-N 2 1 361.490 0.956 20 30 FCEDMP C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083274417 1181749320 /nfs/dbraw/zinc/74/93/20/1181749320.db2.gz KSRHKOFRODCKFR-CEXWTWQISA-N 2 1 354.454 0.922 20 30 FCEDMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083274417 1181749326 /nfs/dbraw/zinc/74/93/26/1181749326.db2.gz KSRHKOFRODCKFR-CEXWTWQISA-N 2 1 354.454 0.922 20 30 FCEDMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083274417 1181749332 /nfs/dbraw/zinc/74/93/32/1181749332.db2.gz KSRHKOFRODCKFR-CEXWTWQISA-N 2 1 354.454 0.922 20 30 FCEDMP C[NH+]1CC[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@@H]32)C1 ZINC001083274417 1181749338 /nfs/dbraw/zinc/74/93/38/1181749338.db2.gz KSRHKOFRODCKFR-CEXWTWQISA-N 2 1 354.454 0.922 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001104588248 1182251843 /nfs/dbraw/zinc/25/18/43/1182251843.db2.gz IBHGLYWLYAKBDR-VSZNYVQBSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@@H](CC)OC)C[C@@H]32)CC1 ZINC001083283809 1182502484 /nfs/dbraw/zinc/50/24/84/1182502484.db2.gz VBWSGNAOTHFUAK-CEXWTWQISA-N 2 1 363.502 0.668 20 30 FCEDMP C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211720410 1187465525 /nfs/dbraw/zinc/46/55/25/1187465525.db2.gz GIWNALPJJAUARD-FGTMMUONSA-N 2 1 369.469 0.162 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC001211720950 1187466874 /nfs/dbraw/zinc/46/68/74/1187466874.db2.gz UBKXWXYHXFLDMM-GBESFXJTSA-N 2 1 370.497 0.825 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001087998196 1190174714 /nfs/dbraw/zinc/17/47/14/1190174714.db2.gz WMPACMWVIPVCFQ-QYZOEREBSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001087998196 1190174716 /nfs/dbraw/zinc/17/47/16/1190174716.db2.gz WMPACMWVIPVCFQ-QYZOEREBSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001087998196 1190174718 /nfs/dbraw/zinc/17/47/18/1190174718.db2.gz WMPACMWVIPVCFQ-QYZOEREBSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001087998196 1190174722 /nfs/dbraw/zinc/17/47/22/1190174722.db2.gz WMPACMWVIPVCFQ-QYZOEREBSA-N 2 1 355.486 0.798 20 30 FCEDMP CC(C)(C)[NH+]1CC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897358541 1190816962 /nfs/dbraw/zinc/81/69/62/1190816962.db2.gz UTFAZICITRKDTC-HOTGVXAUSA-N 2 1 362.518 0.968 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083469670 1193864958 /nfs/dbraw/zinc/86/49/58/1193864958.db2.gz CSJYLFFTMWLREC-YRXWBPOGSA-N 2 1 365.518 0.861 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCc2ccccc2)C[C@@H]1O ZINC001083537079 1194228740 /nfs/dbraw/zinc/22/87/40/1194228740.db2.gz AIVBDLGWVJYVTA-AABGKKOBSA-N 2 1 355.482 0.878 20 30 FCEDMP N#Cc1ccc(CN2C[C@@H](O)[C@H](NC(=O)[C@H]3CCCc4[nH+]ccn43)C2)cc1 ZINC001077131126 1195247292 /nfs/dbraw/zinc/24/72/92/1195247292.db2.gz NMEBUJQQUOFCAM-KZNAEPCWSA-N 2 1 365.437 0.994 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCC[C@@H](C)O)C[C@@H]32)CC1 ZINC001219050573 1224319012 /nfs/dbraw/zinc/31/90/12/1224319012.db2.gz GHEBMKQWACQHQO-NZSAHSFTSA-N 2 1 363.502 0.404 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105944832 1196749151 /nfs/dbraw/zinc/74/91/51/1196749151.db2.gz APHKHRWFRCTIFU-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109302208 1200159366 /nfs/dbraw/zinc/15/93/66/1200159366.db2.gz YYKZQLCLPROFJS-NJAFHUGGSA-N 2 1 361.490 0.982 20 30 FCEDMP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)C1 ZINC001219766177 1224602644 /nfs/dbraw/zinc/60/26/44/1224602644.db2.gz NKQZXADBFSETLQ-YKCBXCCJSA-N 2 1 367.497 0.489 20 30 FCEDMP N#Cc1ccccc1C[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)C1 ZINC001219766177 1224602647 /nfs/dbraw/zinc/60/26/47/1224602647.db2.gz NKQZXADBFSETLQ-YKCBXCCJSA-N 2 1 367.497 0.489 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001109649746 1200442289 /nfs/dbraw/zinc/44/22/89/1200442289.db2.gz BRQCVVWNYSTOLH-LTIDMASMSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001109649746 1200442292 /nfs/dbraw/zinc/44/22/92/1200442292.db2.gz BRQCVVWNYSTOLH-LTIDMASMSA-N 2 1 360.502 0.837 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822453 1200546234 /nfs/dbraw/zinc/54/62/34/1200546234.db2.gz PNUWTCBJONSSQF-SQNIBIBYSA-N 2 1 359.474 0.430 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822453 1200546239 /nfs/dbraw/zinc/54/62/39/1200546239.db2.gz PNUWTCBJONSSQF-SQNIBIBYSA-N 2 1 359.474 0.430 20 30 FCEDMP C=CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](CC)[NH+](C)C)[nH]1 ZINC001130220553 1201546250 /nfs/dbraw/zinc/54/62/50/1201546250.db2.gz DBAWIXCMBKGEOS-ZNMIVQPWSA-N 2 1 364.494 0.799 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)CCC)n1 ZINC001130248952 1201567707 /nfs/dbraw/zinc/56/77/07/1201567707.db2.gz BSIRLWPLAQPJQS-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[nH]1 ZINC001130248952 1201567710 /nfs/dbraw/zinc/56/77/10/1201567710.db2.gz BSIRLWPLAQPJQS-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[nH]1 ZINC001130248952 1201567713 /nfs/dbraw/zinc/56/77/13/1201567713.db2.gz BSIRLWPLAQPJQS-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1c1cn(C)cn1 ZINC001130726195 1202768087 /nfs/dbraw/zinc/76/80/87/1202768087.db2.gz QBRGNPBPRBDFBX-FUHWJXTLSA-N 2 1 370.457 0.159 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n2)O1 ZINC001130819651 1202809352 /nfs/dbraw/zinc/80/93/52/1202809352.db2.gz BIWLDLCZDNCRRB-LSDHHAIUSA-N 2 1 362.478 0.594 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1c1cncn1C ZINC001130943735 1202826833 /nfs/dbraw/zinc/82/68/33/1202826833.db2.gz GUOCZYVFYNIAHL-ZACQAIPSSA-N 2 1 359.474 0.048 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001131089384 1202860916 /nfs/dbraw/zinc/86/09/16/1202860916.db2.gz DUDVHXVREYKEDG-IAGOWNOFSA-N 2 1 361.490 0.603 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001131121466 1202865951 /nfs/dbraw/zinc/86/59/51/1202865951.db2.gz UUEKYBBXMITPGY-GVDBMIGSSA-N 2 1 361.490 0.458 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001131318712 1202886849 /nfs/dbraw/zinc/88/68/49/1202886849.db2.gz MKVZWQBRSBDLOJ-BBWFWOEESA-N 2 1 362.474 0.456 20 30 FCEDMP C#CCC[NH+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001131318712 1202886850 /nfs/dbraw/zinc/88/68/50/1202886850.db2.gz MKVZWQBRSBDLOJ-BBWFWOEESA-N 2 1 362.474 0.456 20 30 FCEDMP C#CCC[N@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318712 1202886854 /nfs/dbraw/zinc/88/68/54/1202886854.db2.gz MKVZWQBRSBDLOJ-BBWFWOEESA-N 2 1 362.474 0.456 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001131318712 1202886856 /nfs/dbraw/zinc/88/68/56/1202886856.db2.gz MKVZWQBRSBDLOJ-BBWFWOEESA-N 2 1 362.474 0.456 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001086720931 1203019097 /nfs/dbraw/zinc/01/90/97/1203019097.db2.gz VZWQVRXCVMUZAG-KSZLIROESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC001086720931 1203019099 /nfs/dbraw/zinc/01/90/99/1203019099.db2.gz VZWQVRXCVMUZAG-KSZLIROESA-N 2 1 360.502 0.581 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1c1cnn(C)c1 ZINC001086982216 1204887031 /nfs/dbraw/zinc/88/70/31/1204887031.db2.gz ZAPUTWWKZCYQHI-RCCFBDPRSA-N 2 1 371.489 0.317 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110151143 1206152188 /nfs/dbraw/zinc/15/21/88/1206152188.db2.gz RJPKWVSYSHCRAT-MHORFTMASA-N 2 1 360.502 0.722 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+]1CCCCC1)C2 ZINC001110151143 1206152191 /nfs/dbraw/zinc/15/21/91/1206152191.db2.gz RJPKWVSYSHCRAT-MHORFTMASA-N 2 1 360.502 0.722 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)NCC=C)CC1 ZINC001110152290 1206171175 /nfs/dbraw/zinc/17/11/75/1206171175.db2.gz NARNKEXTGPDHCZ-NQYYFHDYSA-N 2 1 372.513 0.744 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)NCC=C)CC1 ZINC001110152290 1206171178 /nfs/dbraw/zinc/17/11/78/1206171178.db2.gz NARNKEXTGPDHCZ-NQYYFHDYSA-N 2 1 372.513 0.744 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189425340 1207547597 /nfs/dbraw/zinc/54/75/97/1207547597.db2.gz KKEWCVMHIMMXHD-RBUKOAKNSA-N 2 1 368.481 0.644 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC001189425340 1207547606 /nfs/dbraw/zinc/54/76/06/1207547606.db2.gz KKEWCVMHIMMXHD-RBUKOAKNSA-N 2 1 368.481 0.644 20 30 FCEDMP C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)CCCn3cc[nH+]c3C)[C@@H]2C1 ZINC001189433564 1207550088 /nfs/dbraw/zinc/55/00/88/1207550088.db2.gz PSFFJJHVGMKBSQ-DLBZAZTESA-N 2 1 357.458 0.254 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148868 1207648019 /nfs/dbraw/zinc/64/80/19/1207648019.db2.gz KXIMXGQVBCJVJQ-RCCFBDPRSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148868 1207648026 /nfs/dbraw/zinc/64/80/26/1207648026.db2.gz KXIMXGQVBCJVJQ-RCCFBDPRSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148868 1207648034 /nfs/dbraw/zinc/64/80/34/1207648034.db2.gz KXIMXGQVBCJVJQ-RCCFBDPRSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148868 1207648042 /nfs/dbraw/zinc/64/80/42/1207648042.db2.gz KXIMXGQVBCJVJQ-RCCFBDPRSA-N 2 1 362.518 0.895 20 30 FCEDMP CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190157748 1207654957 /nfs/dbraw/zinc/65/49/57/1207654957.db2.gz QMESCHZSPGKCQH-YESZJQIVSA-N 2 1 361.490 0.233 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157748 1207654965 /nfs/dbraw/zinc/65/49/65/1207654965.db2.gz QMESCHZSPGKCQH-YESZJQIVSA-N 2 1 361.490 0.233 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157748 1207654969 /nfs/dbraw/zinc/65/49/69/1207654969.db2.gz QMESCHZSPGKCQH-YESZJQIVSA-N 2 1 361.490 0.233 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190157748 1207654975 /nfs/dbraw/zinc/65/49/75/1207654975.db2.gz QMESCHZSPGKCQH-YESZJQIVSA-N 2 1 361.490 0.233 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190157748 1207654979 /nfs/dbraw/zinc/65/49/79/1207654979.db2.gz QMESCHZSPGKCQH-YESZJQIVSA-N 2 1 361.490 0.233 20 30 FCEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001197049174 1208131140 /nfs/dbraw/zinc/13/11/40/1208131140.db2.gz KQLWPCJQQGSMDI-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001197049174 1208131141 /nfs/dbraw/zinc/13/11/41/1208131141.db2.gz KQLWPCJQQGSMDI-QZTJIDSGSA-N 2 1 360.458 0.592 20 30 FCEDMP O=C1OCCN1[C@H]1CCN(CC#CC[N@H+]2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437339 1209549181 /nfs/dbraw/zinc/54/91/81/1209549181.db2.gz AHZYJBQBRUBYJS-HOTGVXAUSA-N 2 1 362.430 0.043 20 30 FCEDMP O=C1OCCN1[C@H]1CCN(CC#CCN2CC[C@H](N3CCOC3=O)C2)C1 ZINC000852437339 1209549188 /nfs/dbraw/zinc/54/91/88/1209549188.db2.gz AHZYJBQBRUBYJS-HOTGVXAUSA-N 2 1 362.430 0.043 20 30 FCEDMP O=C1OCCN1[C@@H]1CCN(CC#CC[N@H+]2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000852437341 1209550340 /nfs/dbraw/zinc/55/03/40/1209550340.db2.gz AHZYJBQBRUBYJS-HZPDHXFCSA-N 2 1 362.430 0.043 20 30 FCEDMP O=C1OCCN1[C@@H]1CCN(CC#CCN2CC[C@@H](N3CCOC3=O)C2)C1 ZINC000852437341 1209550347 /nfs/dbraw/zinc/55/03/47/1209550347.db2.gz AHZYJBQBRUBYJS-HZPDHXFCSA-N 2 1 362.430 0.043 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001110664179 1209589496 /nfs/dbraw/zinc/58/94/96/1209589496.db2.gz IRMCEBAPFMFRST-WCXIOVBPSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001110664179 1209589505 /nfs/dbraw/zinc/58/95/05/1209589505.db2.gz IRMCEBAPFMFRST-WCXIOVBPSA-N 2 1 360.502 0.979 20 30 FCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000884412290 1210733917 /nfs/dbraw/zinc/73/39/17/1210733917.db2.gz MZWWNDFKELMIKY-WXNRQPJFSA-N 2 1 359.518 0.753 20 30 FCEDMP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000884412290 1210733923 /nfs/dbraw/zinc/73/39/23/1210733923.db2.gz MZWWNDFKELMIKY-WXNRQPJFSA-N 2 1 359.518 0.753 20 30 FCEDMP CC(C)(C)OC(=O)N[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C1CC1 ZINC000305696601 1214024826 /nfs/dbraw/zinc/02/48/26/1214024826.db2.gz CCXZCMDMSZVWCD-HNNXBMFYSA-N 2 1 369.510 0.916 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001222046554 1225589608 /nfs/dbraw/zinc/58/96/08/1225589608.db2.gz KBAMXCHPXHQOSD-BHIYHBOVSA-N 2 1 370.497 0.002 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001222046554 1225589613 /nfs/dbraw/zinc/58/96/13/1225589613.db2.gz KBAMXCHPXHQOSD-BHIYHBOVSA-N 2 1 370.497 0.002 20 30 FCEDMP C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)C1 ZINC001069838789 1216805286 /nfs/dbraw/zinc/80/52/86/1216805286.db2.gz IAXQWVVLKRUTTK-BPQIPLTHSA-N 2 1 371.485 0.218 20 30 FCEDMP C#CC[NH2+][C@H]1CCN(c2cccc(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)n2)C1 ZINC001069838789 1216805287 /nfs/dbraw/zinc/80/52/87/1216805287.db2.gz IAXQWVVLKRUTTK-BPQIPLTHSA-N 2 1 371.485 0.218 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@@H](O)COC)[C@H]3C2)CC1 ZINC001224227036 1225766325 /nfs/dbraw/zinc/76/63/25/1225766325.db2.gz CIBFXVDRKNXRIG-QRQLOZEOSA-N 2 1 363.502 0.262 20 30 FCEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384285 1218136635 /nfs/dbraw/zinc/13/66/35/1218136635.db2.gz RBJWFUZMQAQQIZ-XWSJACJDSA-N 2 1 363.502 0.260 20 30 FCEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001047384285 1218136638 /nfs/dbraw/zinc/13/66/38/1218136638.db2.gz RBJWFUZMQAQQIZ-XWSJACJDSA-N 2 1 363.502 0.260 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccc(C#N)nn3)CC2)CC[N@@H+]1C ZINC001096259084 1218196297 /nfs/dbraw/zinc/19/62/97/1218196297.db2.gz QABNJOCBQKLWCF-NVXWUHKLSA-N 2 1 371.489 0.317 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccc(C#N)nn3)CC2)CC[N@H+]1C ZINC001096259084 1218196303 /nfs/dbraw/zinc/19/63/03/1218196303.db2.gz QABNJOCBQKLWCF-NVXWUHKLSA-N 2 1 371.489 0.317 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001096356410 1218264306 /nfs/dbraw/zinc/26/43/06/1218264306.db2.gz RQOIFNDFVBJPGE-QZWWFDLISA-N 2 1 358.486 0.591 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1=O ZINC001096356410 1218264308 /nfs/dbraw/zinc/26/43/08/1218264308.db2.gz RQOIFNDFVBJPGE-QZWWFDLISA-N 2 1 358.486 0.591 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048829337 1218323543 /nfs/dbraw/zinc/32/35/43/1218323543.db2.gz NAKARHABPSSGOA-UYTYNIKBSA-N 2 1 360.502 0.504 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048829337 1218323549 /nfs/dbraw/zinc/32/35/49/1218323549.db2.gz NAKARHABPSSGOA-UYTYNIKBSA-N 2 1 360.502 0.504 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@H]3CN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)C[C@H]3C2)C1=O ZINC001048829337 1218323554 /nfs/dbraw/zinc/32/35/54/1218323554.db2.gz NAKARHABPSSGOA-UYTYNIKBSA-N 2 1 360.502 0.504 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(C)C2CC2)CC1 ZINC001096605360 1218573881 /nfs/dbraw/zinc/57/38/81/1218573881.db2.gz KXAKSLUGLLXOBF-QYZOEREBSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(C)C2CC2)CC1 ZINC001096605360 1218573885 /nfs/dbraw/zinc/57/38/85/1218573885.db2.gz KXAKSLUGLLXOBF-QYZOEREBSA-N 2 1 372.513 0.674 20 30 FCEDMP C[NH+](C)CCN1C[C@]2(CC[N@H+](Cc3ccc(C#N)cc3O)C2)OCC1=O ZINC001277130229 1225844943 /nfs/dbraw/zinc/84/49/43/1225844943.db2.gz IYFULDIFGGLYQL-LJQANCHMSA-N 2 1 358.442 0.629 20 30 FCEDMP C[NH+](C)CCN1C[C@]2(CC[N@@H+](Cc3ccc(C#N)cc3O)C2)OCC1=O ZINC001277130229 1225844944 /nfs/dbraw/zinc/84/49/44/1225844944.db2.gz IYFULDIFGGLYQL-LJQANCHMSA-N 2 1 358.442 0.629 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001070275360 1219342281 /nfs/dbraw/zinc/34/22/81/1219342281.db2.gz IJUWTMOBSRITPZ-JQHSSLGASA-N 2 1 369.473 0.963 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1n1ccnn1 ZINC001070288359 1219352211 /nfs/dbraw/zinc/35/22/11/1219352211.db2.gz MNAXYBMLTBTIEZ-CVEARBPZSA-N 2 1 355.446 0.663 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001070375285 1219404191 /nfs/dbraw/zinc/40/41/91/1219404191.db2.gz YEKFAVKGRVXCNO-APWZRJJASA-N 2 1 359.474 0.853 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1cn(C)cn1 ZINC001070534892 1219457722 /nfs/dbraw/zinc/45/77/22/1219457722.db2.gz SPBYUDXFTHATJU-VDZJLULYSA-N 2 1 366.469 0.705 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CC2)C1 ZINC001070656708 1219511165 /nfs/dbraw/zinc/51/11/65/1219511165.db2.gz XYTAYOGDCSLMRP-KURKYZTESA-N 2 1 355.486 0.812 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC2CC2)C1 ZINC001070656708 1219511168 /nfs/dbraw/zinc/51/11/68/1219511168.db2.gz XYTAYOGDCSLMRP-KURKYZTESA-N 2 1 355.486 0.812 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001070703884 1219532703 /nfs/dbraw/zinc/53/27/03/1219532703.db2.gz RMDQLWADMSAPPW-IAGOWNOFSA-N 2 1 361.490 0.603 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001228216060 1225899985 /nfs/dbraw/zinc/89/99/85/1225899985.db2.gz RBXNTEKQCDQVRL-KBAYOESNSA-N 2 1 371.485 0.520 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)NC2CC2)CC1 ZINC001098460417 1219787136 /nfs/dbraw/zinc/78/71/36/1219787136.db2.gz BRWZVKZXMPXXGH-PIKADFDJSA-N 2 1 372.513 0.720 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)NC2CC2)CC1 ZINC001098460417 1219787139 /nfs/dbraw/zinc/78/71/39/1219787139.db2.gz BRWZVKZXMPXXGH-PIKADFDJSA-N 2 1 372.513 0.720 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCCNC2=O)CC1 ZINC001098462694 1219787179 /nfs/dbraw/zinc/78/71/79/1219787179.db2.gz IVMKYZINYJGERI-BDXSIMOUSA-N 2 1 358.486 0.332 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCCNC2=O)CC1 ZINC001098462694 1219787182 /nfs/dbraw/zinc/78/71/82/1219787182.db2.gz IVMKYZINYJGERI-BDXSIMOUSA-N 2 1 358.486 0.332 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001099162760 1219936064 /nfs/dbraw/zinc/93/60/64/1219936064.db2.gz UFMNTKPVYICEID-ZWOKBUDYSA-N 2 1 360.502 0.840 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(NC(=O)C[NH+]3CCCC3)C2)C1=O ZINC001099162760 1219936068 /nfs/dbraw/zinc/93/60/68/1219936068.db2.gz UFMNTKPVYICEID-ZWOKBUDYSA-N 2 1 360.502 0.840 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@@H](C)C(=O)NC)C3)CC1 ZINC001099174586 1219940849 /nfs/dbraw/zinc/94/08/49/1219940849.db2.gz VIVXWKRGDWLDGG-KNBMTAEXSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H](F)C[NH+](CC)CC)C[C@]2(C)C1 ZINC001101257079 1220249520 /nfs/dbraw/zinc/24/95/20/1220249520.db2.gz GDHIGSITNHFNEP-MDZRGWNJSA-N 2 1 366.481 0.196 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268845 1220257692 /nfs/dbraw/zinc/25/76/92/1220257692.db2.gz ZPACIOINVJKDGJ-YRNRMSPPSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268845 1220257698 /nfs/dbraw/zinc/25/76/98/1220257698.db2.gz ZPACIOINVJKDGJ-YRNRMSPPSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)C[C@]2(C)C1 ZINC001101268845 1220257702 /nfs/dbraw/zinc/25/77/02/1220257702.db2.gz ZPACIOINVJKDGJ-YRNRMSPPSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C[C@]2(C)C1 ZINC001101271106 1220259087 /nfs/dbraw/zinc/25/90/87/1220259087.db2.gz FEWHODCPSVDVAB-HLIPFELVSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271106 1220259089 /nfs/dbraw/zinc/25/90/89/1220259089.db2.gz FEWHODCPSVDVAB-HLIPFELVSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@]2(C)C1 ZINC001101271106 1220259092 /nfs/dbraw/zinc/25/90/92/1220259092.db2.gz FEWHODCPSVDVAB-HLIPFELVSA-N 2 1 362.518 0.943 20 30 FCEDMP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101299068 1220276350 /nfs/dbraw/zinc/27/63/50/1220276350.db2.gz GDIQMSJDYPXQJB-BEFAXECRSA-N 2 1 366.425 0.368 20 30 FCEDMP C[C@]12CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101299068 1220276352 /nfs/dbraw/zinc/27/63/52/1220276352.db2.gz GDIQMSJDYPXQJB-BEFAXECRSA-N 2 1 366.425 0.368 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C(C)C ZINC001228852338 1225958665 /nfs/dbraw/zinc/95/86/65/1225958665.db2.gz ILGVMSUAHTXKBA-HZPDHXFCSA-N 2 1 359.474 0.773 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348823 1220296458 /nfs/dbraw/zinc/29/64/58/1220296458.db2.gz JWZBKNAFEMMENZ-MDYRTPRTSA-N 2 1 362.518 0.799 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101350934 1220297522 /nfs/dbraw/zinc/29/75/22/1220297522.db2.gz LIWZZUSQYGLDBN-APWZRJJASA-N 2 1 363.506 0.481 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431228 1220339569 /nfs/dbraw/zinc/33/95/69/1220339569.db2.gz GALINRIWVWAWJU-FCEWJHQRSA-N 2 1 360.502 0.553 20 30 FCEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001228932508 1225962983 /nfs/dbraw/zinc/96/29/83/1225962983.db2.gz OYIAKYRMYZCDQR-ZACQAIPSSA-N 2 1 363.506 0.906 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@H](C)C2)C1=O ZINC001102046103 1220475931 /nfs/dbraw/zinc/47/59/31/1220475931.db2.gz NDTCDVADFMBVNP-BRWVUGGUSA-N 2 1 362.518 0.942 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102290545 1220575733 /nfs/dbraw/zinc/57/57/33/1220575733.db2.gz JALCGAITAYGULS-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292286 1220575917 /nfs/dbraw/zinc/57/59/17/1220575917.db2.gz HVFJDLNJKANLGT-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCOCC1 ZINC001229142059 1225983342 /nfs/dbraw/zinc/98/33/42/1225983342.db2.gz PIDUMHQQAXYBLQ-GVDBMIGSSA-N 2 1 366.506 0.416 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC(C)C)C[C@H]2C)CC1 ZINC001102596597 1220717681 /nfs/dbraw/zinc/71/76/81/1220717681.db2.gz OICIMILLJCACMQ-SJLPKXTDSA-N 2 1 362.518 0.540 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001102994109 1220817756 /nfs/dbraw/zinc/81/77/56/1220817756.db2.gz QJOWPSMMDJPSPQ-NXHRZFHOSA-N 2 1 362.518 0.705 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001103192493 1220848787 /nfs/dbraw/zinc/84/87/87/1220848787.db2.gz VWLPOYIERJSOKI-NVXWUHKLSA-N 2 1 367.453 0.772 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001103757130 1220965163 /nfs/dbraw/zinc/96/51/63/1220965163.db2.gz MYFPVILTBCIBTE-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103757130 1220965166 /nfs/dbraw/zinc/96/51/66/1220965166.db2.gz MYFPVILTBCIBTE-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001103757130 1220965168 /nfs/dbraw/zinc/96/51/68/1220965168.db2.gz MYFPVILTBCIBTE-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104185361 1221017925 /nfs/dbraw/zinc/01/79/25/1221017925.db2.gz DQPGYZFHOBZLFE-ZACQAIPSSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CCNC(=O)CN1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001111753293 1221090250 /nfs/dbraw/zinc/09/02/50/1221090250.db2.gz QXAKYKRFNLDVPB-LJCCNALRSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001111753293 1221090253 /nfs/dbraw/zinc/09/02/53/1221090253.db2.gz QXAKYKRFNLDVPB-LJCCNALRSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001111753293 1221090257 /nfs/dbraw/zinc/09/02/57/1221090257.db2.gz QXAKYKRFNLDVPB-LJCCNALRSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111753293 1221090259 /nfs/dbraw/zinc/09/02/59/1221090259.db2.gz QXAKYKRFNLDVPB-LJCCNALRSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111753293 1221090263 /nfs/dbraw/zinc/09/02/63/1221090263.db2.gz QXAKYKRFNLDVPB-LJCCNALRSA-N 2 1 360.502 0.437 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852197 1221137027 /nfs/dbraw/zinc/13/70/27/1221137027.db2.gz IJYPNGRMXBLTEF-BJLQDIEVSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001111852197 1221137029 /nfs/dbraw/zinc/13/70/29/1221137029.db2.gz IJYPNGRMXBLTEF-BJLQDIEVSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001111852197 1221137035 /nfs/dbraw/zinc/13/70/35/1221137035.db2.gz IJYPNGRMXBLTEF-BJLQDIEVSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001111852197 1221137037 /nfs/dbraw/zinc/13/70/37/1221137037.db2.gz IJYPNGRMXBLTEF-BJLQDIEVSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001111938076 1221179085 /nfs/dbraw/zinc/17/90/85/1221179085.db2.gz KFKDNPZJXPDCES-GUXCAODWSA-N 2 1 358.486 0.191 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)CC[N@H+](C)CCC)C1 ZINC001111951121 1221182385 /nfs/dbraw/zinc/18/23/85/1221182385.db2.gz TYGXQPXISLRVPV-UWVAXJGDSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](CCOCCO)C3)CC1 ZINC001112004179 1221197905 /nfs/dbraw/zinc/19/79/05/1221197905.db2.gz OGYBIUGQVYJMKK-ICSRJNTNSA-N 2 1 363.502 0.311 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112404274 1221253249 /nfs/dbraw/zinc/25/32/49/1221253249.db2.gz QQSNCZFXCCKNPH-BJLQDIEVSA-N 2 1 370.501 0.594 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCn2cncn2)C1 ZINC001112404274 1221253253 /nfs/dbraw/zinc/25/32/53/1221253253.db2.gz QQSNCZFXCCKNPH-BJLQDIEVSA-N 2 1 370.501 0.594 20 30 FCEDMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001118045008 1221697767 /nfs/dbraw/zinc/69/77/67/1221697767.db2.gz OMTXNAGOUHUXJV-MRXNPFEDSA-N 2 1 371.485 0.707 20 30 FCEDMP C[NH2+][C@H](C)CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001118045008 1221697771 /nfs/dbraw/zinc/69/77/71/1221697771.db2.gz OMTXNAGOUHUXJV-MRXNPFEDSA-N 2 1 371.485 0.707 20 30 FCEDMP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCC([NH3+])CC2)C1 ZINC001161378917 1223197194 /nfs/dbraw/zinc/19/71/94/1223197194.db2.gz OBPPWMKWEARGDR-RLLQIKCJSA-N 3 1 367.497 0.885 20 30 FCEDMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3cncc(C#N)c3)C2)C1=O ZINC001276486793 1223346816 /nfs/dbraw/zinc/34/68/16/1223346816.db2.gz DORXZPOZLZDRTH-LJQANCHMSA-N 2 1 355.442 0.856 20 30 FCEDMP C[NH+](C)CCN1C(=O)C[C@@]2(CCC[N@@H+](Cc3ccc(C#N)cn3)C2)C1=O ZINC001276503868 1223407971 /nfs/dbraw/zinc/40/79/71/1223407971.db2.gz UKDKDKCRMATGQC-LJQANCHMSA-N 2 1 355.442 0.856 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484831 1223550526 /nfs/dbraw/zinc/55/05/26/1223550526.db2.gz AKPJLUMUZOPDKW-SJLPKXTDSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208484831 1223550528 /nfs/dbraw/zinc/55/05/28/1223550528.db2.gz AKPJLUMUZOPDKW-SJLPKXTDSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209649570 1223637746 /nfs/dbraw/zinc/63/77/46/1223637746.db2.gz RIZYAJIVNILAPD-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209649570 1223637748 /nfs/dbraw/zinc/63/77/48/1223637748.db2.gz RIZYAJIVNILAPD-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179560 1223673336 /nfs/dbraw/zinc/67/33/36/1223673336.db2.gz PPRMDMMKIJFTJN-CRAIPNDOSA-N 2 1 360.502 0.294 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001210179560 1223673340 /nfs/dbraw/zinc/67/33/40/1223673340.db2.gz PPRMDMMKIJFTJN-CRAIPNDOSA-N 2 1 360.502 0.294 20 30 FCEDMP CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719347 1223839182 /nfs/dbraw/zinc/83/91/82/1223839182.db2.gz YIKCKFPAIZWJGU-QZTJIDSGSA-N 2 1 360.458 0.452 20 30 FCEDMP CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213719347 1223839185 /nfs/dbraw/zinc/83/91/85/1223839185.db2.gz YIKCKFPAIZWJGU-QZTJIDSGSA-N 2 1 360.458 0.452 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@H]1C ZINC001214849967 1223947847 /nfs/dbraw/zinc/94/78/47/1223947847.db2.gz LWZQBFVMLDHOTC-QRQLOZEOSA-N 2 1 363.502 0.716 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214856053 1223948671 /nfs/dbraw/zinc/94/86/71/1223948671.db2.gz WHVMAWFIOHDWMJ-OIISXLGYSA-N 2 1 361.490 0.470 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215541267 1224005103 /nfs/dbraw/zinc/00/51/03/1224005103.db2.gz WQVSJHBOUMSUML-LBTNJELSSA-N 2 1 367.469 0.275 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CCCC)C[C@H]1C ZINC001216319526 1224043812 /nfs/dbraw/zinc/04/38/12/1224043812.db2.gz AICSUXQVQWEREV-KZNAEPCWSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC000997768253 1251695578 /nfs/dbraw/zinc/69/55/78/1251695578.db2.gz AOSZLALQSAUIDS-XWSJACJDSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC000997768253 1251695590 /nfs/dbraw/zinc/69/55/90/1251695590.db2.gz AOSZLALQSAUIDS-XWSJACJDSA-N 2 1 372.513 0.674 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001080559089 1255930214 /nfs/dbraw/zinc/93/02/14/1255930214.db2.gz UMOLZCOWGDFPJH-KBAYOESNSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]2C)CC1 ZINC001080998059 1256132711 /nfs/dbraw/zinc/13/27/11/1256132711.db2.gz QVVLUDBVCZVWGX-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001082568210 1256874377 /nfs/dbraw/zinc/87/43/77/1256874377.db2.gz FZYKDVYZUKVZLP-QRQLOZEOSA-N 2 1 357.502 0.980 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCc2cnn(CC)c2)C1 ZINC001082568210 1256874388 /nfs/dbraw/zinc/87/43/88/1256874388.db2.gz FZYKDVYZUKVZLP-QRQLOZEOSA-N 2 1 357.502 0.980 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CCn4cccn4)C[C@H]32)CC1 ZINC001084850066 1258399355 /nfs/dbraw/zinc/39/93/55/1258399355.db2.gz ILVQKGZHVJRERD-RTBURBONSA-N 2 1 355.486 0.761 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001084851091 1258400488 /nfs/dbraw/zinc/40/04/88/1258400488.db2.gz MMIOBXKWHSQNCX-FGTMMUONSA-N 2 1 358.486 0.143 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001084851091 1258400491 /nfs/dbraw/zinc/40/04/91/1258400491.db2.gz MMIOBXKWHSQNCX-FGTMMUONSA-N 2 1 358.486 0.143 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC001106715823 1258946059 /nfs/dbraw/zinc/94/60/59/1258946059.db2.gz LUEAZXURBMMDNZ-HZPDHXFCSA-N 2 1 359.474 0.440 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@H]1C ZINC001106765525 1258957170 /nfs/dbraw/zinc/95/71/70/1258957170.db2.gz GSJJBVMUGPPSPH-NVXWUHKLSA-N 2 1 359.474 0.405 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608546 1259131791 /nfs/dbraw/zinc/13/17/91/1259131791.db2.gz XYXFUJSHONXYBW-VQIMIIECSA-N 2 1 360.502 0.745 20 30 FCEDMP N#C[C@@H]1CN(C(=O)[C@]23C[N@@H+](Cc4ccccc4)C[C@H]2C[NH2+]CCC3)CCN1 ZINC001160652814 1259385779 /nfs/dbraw/zinc/38/57/79/1259385779.db2.gz MRJYMAQQSCYOON-SFHLNBCPSA-N 2 1 367.497 0.812 20 30 FCEDMP N#Cc1ccc(C(=O)N2CCC(N3CC[NH2+]C[C@]34CC[NH2+]C4)CC2)cc1 ZINC001246624894 1259658378 /nfs/dbraw/zinc/65/83/78/1259658378.db2.gz DANMWZSMGSSOBG-HXUWFJFHSA-N 2 1 353.470 0.800 20 30 FCEDMP N#CC1(C(=O)N2CC[C@H]3[C@@H]2CCN3Cc2cnccc2N)CCOCC1 ZINC001279616196 1260899451 /nfs/dbraw/zinc/89/94/51/1260899451.db2.gz AUSOGVNFDLIVKK-IRXDYDNUSA-N 2 1 355.442 0.990 20 30 FCEDMP N#CCCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001280182461 1261023474 /nfs/dbraw/zinc/02/34/74/1261023474.db2.gz ULWUVSFLPOZXLU-IAGOWNOFSA-N 2 1 356.474 0.699 20 30 FCEDMP CC[N@H+]1CC[C@H](Cn2c([C@@H]3CCC[NH2+]C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001577763692 1274848106 /nfs/dbraw/zinc/84/81/06/1274848106.db2.gz HNZSJWYIUBWBBO-BBWFWOEESA-N 2 1 373.505 0.816 20 30 FCEDMP N#CCC1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC001580047162 1277998790 /nfs/dbraw/zinc/99/87/90/1277998790.db2.gz CQCREIMXNOTLDV-IYBDPMFKSA-N 2 1 352.504 0.911 20 30 FCEDMP N#CCC1(CS(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)CC1 ZINC001580047162 1277998796 /nfs/dbraw/zinc/99/87/96/1277998796.db2.gz CQCREIMXNOTLDV-IYBDPMFKSA-N 2 1 352.504 0.911 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001588351381 1282445887 /nfs/dbraw/zinc/44/58/87/1282445887.db2.gz QZMVFOZBMUMPOI-PBHICJAKSA-N 2 1 367.457 0.559 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001588351381 1282445892 /nfs/dbraw/zinc/44/58/92/1282445892.db2.gz QZMVFOZBMUMPOI-PBHICJAKSA-N 2 1 367.457 0.559 20 30 FCEDMP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000748824055 836327782 /nfs/dbraw/zinc/32/77/82/836327782.db2.gz FNYVFUJQPIGSTQ-SFHVURJKSA-N 2 1 350.507 0.197 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469323 844197925 /nfs/dbraw/zinc/19/79/25/844197925.db2.gz LCXDQZOEJOCAPD-LMMKCTJWSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469323 844197931 /nfs/dbraw/zinc/19/79/31/844197931.db2.gz LCXDQZOEJOCAPD-LMMKCTJWSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469323 844197933 /nfs/dbraw/zinc/19/79/33/844197933.db2.gz LCXDQZOEJOCAPD-LMMKCTJWSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469323 844197941 /nfs/dbraw/zinc/19/79/41/844197941.db2.gz LCXDQZOEJOCAPD-LMMKCTJWSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983967 844361431 /nfs/dbraw/zinc/36/14/31/844361431.db2.gz SGQKNVKOGNEJIV-WCXIOVBPSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983967 844361443 /nfs/dbraw/zinc/36/14/43/844361443.db2.gz SGQKNVKOGNEJIV-WCXIOVBPSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H](C)C1 ZINC001101983967 844361455 /nfs/dbraw/zinc/36/14/55/844361455.db2.gz SGQKNVKOGNEJIV-WCXIOVBPSA-N 2 1 350.507 0.703 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015815 844375477 /nfs/dbraw/zinc/37/54/77/844375477.db2.gz RXMQXGGUXUUIJE-OAGGEKHMSA-N 2 1 354.470 0.100 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C2)C1=O ZINC001102475653 844516450 /nfs/dbraw/zinc/51/64/50/844516450.db2.gz YIRHBPRHLVXAMK-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCOCCO)C[C@H]2C)CC1 ZINC001102596451 844587310 /nfs/dbraw/zinc/58/73/10/844587310.db2.gz GNQPWFZTDPZNMX-SJLPKXTDSA-N 2 1 351.491 0.025 20 30 FCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944329 842776615 /nfs/dbraw/zinc/77/66/15/842776615.db2.gz BQLTWSZRGQLHET-IXDOHACOSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944329 842776625 /nfs/dbraw/zinc/77/66/25/842776625.db2.gz BQLTWSZRGQLHET-IXDOHACOSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944329 842776629 /nfs/dbraw/zinc/77/66/29/842776629.db2.gz BQLTWSZRGQLHET-IXDOHACOSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089944329 842776639 /nfs/dbraw/zinc/77/66/39/842776639.db2.gz BQLTWSZRGQLHET-IXDOHACOSA-N 2 1 351.491 0.879 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C(F)(F)F ZINC001099283822 844003281 /nfs/dbraw/zinc/00/32/81/844003281.db2.gz KONREHVOZVGUQP-WBDXWENLSA-N 2 1 357.376 0.462 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001103433985 844756928 /nfs/dbraw/zinc/75/69/28/844756928.db2.gz QHJPCFXUXXACRI-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001103433985 844756934 /nfs/dbraw/zinc/75/69/34/844756934.db2.gz QHJPCFXUXXACRI-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001103433985 844756941 /nfs/dbraw/zinc/75/69/41/844756941.db2.gz QHJPCFXUXXACRI-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CCCC[NH+](C)C ZINC001103655258 844795963 /nfs/dbraw/zinc/79/59/63/844795963.db2.gz XEXUPOKCCRRONK-HZPDHXFCSA-N 2 1 351.495 0.432 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001103740425 844813963 /nfs/dbraw/zinc/81/39/63/844813963.db2.gz HIEJJQDPZKZGBA-KURKYZTESA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001103740425 844813968 /nfs/dbraw/zinc/81/39/68/844813968.db2.gz HIEJJQDPZKZGBA-KURKYZTESA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740425 844813973 /nfs/dbraw/zinc/81/39/73/844813973.db2.gz HIEJJQDPZKZGBA-KURKYZTESA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001103740425 844813977 /nfs/dbraw/zinc/81/39/77/844813977.db2.gz HIEJJQDPZKZGBA-KURKYZTESA-N 2 1 353.507 0.984 20 30 FCEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346975 844895886 /nfs/dbraw/zinc/89/58/86/844895886.db2.gz NZOCPSIHGSBERK-BRSBDYLESA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346975 844895891 /nfs/dbraw/zinc/89/58/91/844895891.db2.gz NZOCPSIHGSBERK-BRSBDYLESA-N 2 1 353.507 0.982 20 30 FCEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105978933 845072032 /nfs/dbraw/zinc/07/20/32/845072032.db2.gz MJQKWYCXKPQJHX-MRVWCRGKSA-N 2 1 360.296 0.910 20 30 FCEDMP C=C(Br)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105978933 845072039 /nfs/dbraw/zinc/07/20/39/845072039.db2.gz MJQKWYCXKPQJHX-MRVWCRGKSA-N 2 1 360.296 0.910 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001106336336 845159073 /nfs/dbraw/zinc/15/90/73/845159073.db2.gz JGLYICUWNKUIHG-BZUAXINKSA-N 2 1 350.507 0.539 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276814780 861624368 /nfs/dbraw/zinc/62/43/68/861624368.db2.gz KHDWMMFWVGTLJZ-HKUYNNGSSA-N 2 1 350.507 0.238 20 30 FCEDMP C=C[C@H](O)C[N@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276814780 861624373 /nfs/dbraw/zinc/62/43/73/861624373.db2.gz KHDWMMFWVGTLJZ-HKUYNNGSSA-N 2 1 350.507 0.238 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276814780 861624378 /nfs/dbraw/zinc/62/43/78/861624378.db2.gz KHDWMMFWVGTLJZ-HKUYNNGSSA-N 2 1 350.507 0.238 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](CC)CC)C1 ZINC001111908424 846254805 /nfs/dbraw/zinc/25/48/05/846254805.db2.gz XYJHQIPBXYTBSU-BXWFABGCSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCCC[NH+](C)C)C1 ZINC001111948861 846273028 /nfs/dbraw/zinc/27/30/28/846273028.db2.gz ABPNNYARWVGUOK-LPHOPBHVSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C(F)(F)F ZINC001112071124 846350998 /nfs/dbraw/zinc/35/09/98/846350998.db2.gz RNTPXUNZFJIMKW-JHJVBQTASA-N 2 1 362.396 0.362 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@H]1C(F)(F)F ZINC001112071124 846351007 /nfs/dbraw/zinc/35/10/07/846351007.db2.gz RNTPXUNZFJIMKW-JHJVBQTASA-N 2 1 362.396 0.362 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112189192 846448926 /nfs/dbraw/zinc/44/89/26/846448926.db2.gz UWJYBNUABYFOEB-CHWSQXEVSA-N 2 1 364.412 0.609 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C(F)(F)F ZINC001112189192 846448935 /nfs/dbraw/zinc/44/89/35/846448935.db2.gz UWJYBNUABYFOEB-CHWSQXEVSA-N 2 1 364.412 0.609 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129897634 848911264 /nfs/dbraw/zinc/91/12/64/848911264.db2.gz DSRRNCKWPJVVSG-ZGWFHWIISA-N 2 1 362.865 0.470 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]C/C=C/Cl)[C@@H](n2ccnn2)C1 ZINC001129897634 848911274 /nfs/dbraw/zinc/91/12/74/848911274.db2.gz DSRRNCKWPJVVSG-ZGWFHWIISA-N 2 1 362.865 0.470 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137311 848951259 /nfs/dbraw/zinc/95/12/59/848951259.db2.gz SGOGSGYSJCFRQH-CVEARBPZSA-N 2 1 350.467 0.162 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)CC[N@H+](C)CC)n2)O1 ZINC001130813606 849048623 /nfs/dbraw/zinc/04/86/23/849048623.db2.gz UHSYUUVWGDCPJC-UONOGXRCSA-N 2 1 350.467 0.758 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@@H+](C)CC)n[nH]2)O1 ZINC001130813606 849048628 /nfs/dbraw/zinc/04/86/28/849048628.db2.gz UHSYUUVWGDCPJC-UONOGXRCSA-N 2 1 350.467 0.758 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CC[N@H+](C)CC)n[nH]2)O1 ZINC001130813606 849048633 /nfs/dbraw/zinc/04/86/33/849048633.db2.gz UHSYUUVWGDCPJC-UONOGXRCSA-N 2 1 350.467 0.758 20 30 FCEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001171485338 850685206 /nfs/dbraw/zinc/68/52/06/850685206.db2.gz ATAKFTXVIIVLMD-ARFHVFGLSA-N 2 1 354.495 0.272 20 30 FCEDMP C=CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001171485338 850685215 /nfs/dbraw/zinc/68/52/15/850685215.db2.gz ATAKFTXVIIVLMD-ARFHVFGLSA-N 2 1 354.495 0.272 20 30 FCEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178811108 850934001 /nfs/dbraw/zinc/93/40/01/850934001.db2.gz RAILVHGVKOGAJI-HZPDHXFCSA-N 2 1 354.495 0.274 20 30 FCEDMP C=CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001178811108 850934007 /nfs/dbraw/zinc/93/40/07/850934007.db2.gz RAILVHGVKOGAJI-HZPDHXFCSA-N 2 1 354.495 0.274 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC#CCOC)C2)CC[N@H+]1C ZINC001200554735 853501775 /nfs/dbraw/zinc/50/17/75/853501775.db2.gz MBSPKPRQROCWBR-FGTMMUONSA-N 2 1 351.491 0.574 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441806 853934709 /nfs/dbraw/zinc/93/47/09/853934709.db2.gz QADBFSKUSFRUDH-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441806 853934714 /nfs/dbraw/zinc/93/47/14/853934714.db2.gz QADBFSKUSFRUDH-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524411 855434652 /nfs/dbraw/zinc/43/46/52/855434652.db2.gz XGDJCWLJCKBIPB-KSZLIROESA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)[C@H]2C1 ZINC001218524411 855434655 /nfs/dbraw/zinc/43/46/55/855434655.db2.gz XGDJCWLJCKBIPB-KSZLIROESA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524411 855434659 /nfs/dbraw/zinc/43/46/59/855434659.db2.gz XGDJCWLJCKBIPB-KSZLIROESA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCCC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)[C@H]2C1 ZINC001218524411 855434663 /nfs/dbraw/zinc/43/46/63/855434663.db2.gz XGDJCWLJCKBIPB-KSZLIROESA-N 2 1 351.491 0.973 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CCC[NH+]3CCCC3)[C@H]2C1 ZINC001219052272 855526350 /nfs/dbraw/zinc/52/63/50/855526350.db2.gz PVXITIYPOQDLPP-ZWKOTPCHSA-N 2 1 351.491 0.977 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001223249903 856904833 /nfs/dbraw/zinc/90/48/33/856904833.db2.gz QXWCXALVWBGTHX-HLLBOEOZSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]21 ZINC001223962835 856954628 /nfs/dbraw/zinc/95/46/28/856954628.db2.gz VZFWNKDYYVUICB-SJORKVTESA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962835 856954632 /nfs/dbraw/zinc/95/46/32/856954632.db2.gz VZFWNKDYYVUICB-SJORKVTESA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)CCC)C[C@@H]21 ZINC001223962835 856954634 /nfs/dbraw/zinc/95/46/34/856954634.db2.gz VZFWNKDYYVUICB-SJORKVTESA-N 2 1 350.507 0.943 20 30 FCEDMP C#CCOC[C@H](O)CN1CCC([N@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC001251835087 857756067 /nfs/dbraw/zinc/75/60/67/857756067.db2.gz FLBNFZZXFYGPOY-FUHWJXTLSA-N 2 1 352.475 0.737 20 30 FCEDMP C#CCOC[C@H](O)C[NH2+]CCC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC001251893310 857765877 /nfs/dbraw/zinc/76/58/77/857765877.db2.gz ATALVRPIMWZJDH-MRXNPFEDSA-N 2 1 357.495 0.823 20 30 FCEDMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCC#N)CC3)[C@@H]2C1 ZINC001280182626 863313246 /nfs/dbraw/zinc/31/32/46/863313246.db2.gz XCZQKCLZZVUVQG-HZPDHXFCSA-N 2 1 350.463 0.423 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000294812490 214266958 /nfs/dbraw/zinc/26/69/58/214266958.db2.gz PTJDLIGKTZJXJS-INIZCTEOSA-N 2 1 372.473 0.766 20 30 FCEDMP CC[S@](=O)[C@@H]1CCC[C@H](NC(NC[C@H]2C[N@@H+](C)CCN2C)=[NH+]C)C1 ZINC000261764666 529454551 /nfs/dbraw/zinc/45/45/51/529454551.db2.gz OPHSTRDREJIVNV-XNRFFDEESA-N 2 1 357.568 0.477 20 30 FCEDMP COc1ccc(C(=O)NCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264095951 229322564 /nfs/dbraw/zinc/32/25/64/229322564.db2.gz MPRIBFLSTNEJKL-UHFFFAOYSA-N 2 1 363.462 0.052 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)N1CCc2ccccc2C1 ZINC000264236443 229327747 /nfs/dbraw/zinc/32/77/47/229327747.db2.gz DFBAKGAXCQKNSR-UHFFFAOYSA-N 2 1 359.474 0.198 20 30 FCEDMP CS(=O)(=O)Cc1ccccc1CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000267445327 229379644 /nfs/dbraw/zinc/37/96/44/229379644.db2.gz PWPUMMNECMTTSD-UHFFFAOYSA-N 2 1 368.503 0.358 20 30 FCEDMP COc1ccc2c(c1)nc(CNC(=[NH2+])NCCC[NH+]1CCOCC1)n2C ZINC000184658295 488397061 /nfs/dbraw/zinc/39/70/61/488397061.db2.gz BLGXNYHRDBZRCI-UHFFFAOYSA-N 2 1 360.462 0.709 20 30 FCEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000329426387 489003359 /nfs/dbraw/zinc/00/33/59/489003359.db2.gz GNPJQBSAWGHDST-KZNAEPCWSA-N 2 1 367.538 0.721 20 30 FCEDMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200298 489079481 /nfs/dbraw/zinc/07/94/81/489079481.db2.gz ADVPRRMVAKQSIG-JKSUJKDBSA-N 2 1 354.495 0.806 20 30 FCEDMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200298 489079485 /nfs/dbraw/zinc/07/94/85/489079485.db2.gz ADVPRRMVAKQSIG-JKSUJKDBSA-N 2 1 354.495 0.806 20 30 FCEDMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000330200298 489079488 /nfs/dbraw/zinc/07/94/88/489079488.db2.gz ADVPRRMVAKQSIG-JKSUJKDBSA-N 2 1 354.495 0.806 20 30 FCEDMP COCC[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200297 489079731 /nfs/dbraw/zinc/07/97/31/489079731.db2.gz ADVPRRMVAKQSIG-HZPDHXFCSA-N 2 1 354.495 0.806 20 30 FCEDMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200297 489079733 /nfs/dbraw/zinc/07/97/33/489079733.db2.gz ADVPRRMVAKQSIG-HZPDHXFCSA-N 2 1 354.495 0.806 20 30 FCEDMP COCC[NH+]1CC[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000330200297 489079736 /nfs/dbraw/zinc/07/97/36/489079736.db2.gz ADVPRRMVAKQSIG-HZPDHXFCSA-N 2 1 354.495 0.806 20 30 FCEDMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000331112626 489174446 /nfs/dbraw/zinc/17/44/46/489174446.db2.gz JDVGUBQMMRMLQT-HOTGVXAUSA-N 2 1 353.511 0.869 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908163 489727818 /nfs/dbraw/zinc/72/78/18/489727818.db2.gz VOCUIHCTYNPDKM-HZPDHXFCSA-N 2 1 351.495 0.487 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908163 489727820 /nfs/dbraw/zinc/72/78/20/489727820.db2.gz VOCUIHCTYNPDKM-HZPDHXFCSA-N 2 1 351.495 0.487 20 30 FCEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)cc1 ZINC000408024545 490213071 /nfs/dbraw/zinc/21/30/71/490213071.db2.gz DDVWMWXQNZYHJE-FQEVSTJZSA-N 2 1 367.497 0.982 20 30 FCEDMP N#Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3C[N@H+]4CCN3CCC4)CC2)cc1 ZINC000408024545 490213082 /nfs/dbraw/zinc/21/30/82/490213082.db2.gz DDVWMWXQNZYHJE-FQEVSTJZSA-N 2 1 367.497 0.982 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC2)cc1 ZINC000408024545 490213092 /nfs/dbraw/zinc/21/30/92/490213092.db2.gz DDVWMWXQNZYHJE-FQEVSTJZSA-N 2 1 367.497 0.982 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH+]4CCN3CCC4)CC2)cc1 ZINC000408024545 490213098 /nfs/dbraw/zinc/21/30/98/490213098.db2.gz DDVWMWXQNZYHJE-FQEVSTJZSA-N 2 1 367.497 0.982 20 30 FCEDMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423030699 490524527 /nfs/dbraw/zinc/52/45/27/490524527.db2.gz CILOREJKOSBNJB-GOSISDBHSA-N 2 1 369.469 0.413 20 30 FCEDMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000423030699 490524529 /nfs/dbraw/zinc/52/45/29/490524529.db2.gz CILOREJKOSBNJB-GOSISDBHSA-N 2 1 369.469 0.413 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423040186 490527291 /nfs/dbraw/zinc/52/72/91/490527291.db2.gz SLCBYINVUYZZJR-SFHVURJKSA-N 2 1 369.469 0.542 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000423040186 490527297 /nfs/dbraw/zinc/52/72/97/490527297.db2.gz SLCBYINVUYZZJR-SFHVURJKSA-N 2 1 369.469 0.542 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000580850893 491749111 /nfs/dbraw/zinc/74/91/11/491749111.db2.gz UIVYMORKHZAGCQ-MRXNPFEDSA-N 2 1 366.506 0.370 20 30 FCEDMP CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000591241656 491800158 /nfs/dbraw/zinc/80/01/58/491800158.db2.gz VBNHCHUVICOGDR-DLBZAZTESA-N 2 1 365.547 0.833 20 30 FCEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000600721645 491878637 /nfs/dbraw/zinc/87/86/37/491878637.db2.gz DPGJEQOICFKKIS-IRXDYDNUSA-N 2 1 360.458 0.475 20 30 FCEDMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600725169 491879239 /nfs/dbraw/zinc/87/92/39/491879239.db2.gz XFPFHXNAIITXEK-QZTJIDSGSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1ccccc1C#N ZINC000600725169 491879241 /nfs/dbraw/zinc/87/92/41/491879241.db2.gz XFPFHXNAIITXEK-QZTJIDSGSA-N 2 1 374.485 0.830 20 30 FCEDMP C[NH+]=C(NCC[N@@H+](C)C1CCCC1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000085788169 526353856 /nfs/dbraw/zinc/35/38/56/526353856.db2.gz VFLPOXBRWGNQID-KRWDZBQOSA-N 2 1 365.522 0.759 20 30 FCEDMP C[NH+]=C(NCc1ccc(-n2cc[nH+]c2C)nc1)N1CCN(C(C)=O)CC1 ZINC000263077349 526381130 /nfs/dbraw/zinc/38/11/30/526381130.db2.gz CSZOFAJZGYKRLP-UHFFFAOYSA-N 2 1 355.446 0.815 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000413239911 526586060 /nfs/dbraw/zinc/58/60/60/526586060.db2.gz MPEAWWSRZGQIMH-OAHLLOKOSA-N 2 1 352.479 0.773 20 30 FCEDMP CC[NH+]=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261811477 528814050 /nfs/dbraw/zinc/81/40/50/528814050.db2.gz STVLKKUDRIJMCZ-OAHLLOKOSA-N 2 1 373.505 0.519 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(NCC1CCN(S(C)(=O)=O)CC1)=[NH+]C ZINC000073660504 667479468 /nfs/dbraw/zinc/47/94/68/667479468.db2.gz WKWWZOCVNOZEHA-OAHLLOKOSA-N 2 1 359.540 0.307 20 30 FCEDMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000741806987 668023913 /nfs/dbraw/zinc/02/39/13/668023913.db2.gz SQSROEWUMHJHBN-UHFFFAOYSA-N 2 1 351.495 0.432 20 30 FCEDMP C#CC[N@H+](C)CCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000815652353 669919309 /nfs/dbraw/zinc/91/93/09/669919309.db2.gz ZCDCJHMIHLQNOV-UHFFFAOYSA-N 2 1 367.519 0.724 20 30 FCEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000815652353 669919313 /nfs/dbraw/zinc/91/93/13/669919313.db2.gz ZCDCJHMIHLQNOV-UHFFFAOYSA-N 2 1 367.519 0.724 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C1 ZINC001104306267 1169873915 /nfs/dbraw/zinc/87/39/15/1169873915.db2.gz UNFARJCPZDZEBU-QRVBRYPASA-N 2 1 365.518 0.821 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCOC)C1 ZINC001104306267 1169873918 /nfs/dbraw/zinc/87/39/18/1169873918.db2.gz UNFARJCPZDZEBU-QRVBRYPASA-N 2 1 365.518 0.821 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001022020174 1170401559 /nfs/dbraw/zinc/40/15/59/1170401559.db2.gz HBIUAIROGQWHFX-XWTMOSNGSA-N 2 1 360.502 0.484 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001022020174 1170401566 /nfs/dbraw/zinc/40/15/66/1170401566.db2.gz HBIUAIROGQWHFX-XWTMOSNGSA-N 2 1 360.502 0.484 20 30 FCEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000329636073 1179833281 /nfs/dbraw/zinc/83/32/81/1179833281.db2.gz YBDVJKXVMKCVBJ-IAGOWNOFSA-N 2 1 367.538 0.627 20 30 FCEDMP CC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C2 ZINC001112522156 1181268784 /nfs/dbraw/zinc/26/87/84/1181268784.db2.gz IFZPNFCYZBDKCE-QRFRQXIXSA-N 2 1 371.485 0.699 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105016929 1183069835 /nfs/dbraw/zinc/06/98/35/1183069835.db2.gz HKNOYHLZJZLOBN-HLLBOEOZSA-N 2 1 359.474 0.404 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000979968019 1186148624 /nfs/dbraw/zinc/14/86/24/1186148624.db2.gz PTYLSPBNWZTCRQ-ZKXLYKBJSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000979968019 1186148627 /nfs/dbraw/zinc/14/86/27/1186148627.db2.gz PTYLSPBNWZTCRQ-ZKXLYKBJSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000979968019 1186148630 /nfs/dbraw/zinc/14/86/30/1186148630.db2.gz PTYLSPBNWZTCRQ-ZKXLYKBJSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000979968019 1186148632 /nfs/dbraw/zinc/14/86/32/1186148632.db2.gz PTYLSPBNWZTCRQ-ZKXLYKBJSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)CC1 ZINC001076604430 1194592903 /nfs/dbraw/zinc/59/29/03/1194592903.db2.gz FHKCSDYEQXQPDN-OKZBNKHCSA-N 2 1 358.486 0.143 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C3CC3)[C@@H]2C)CC1 ZINC001089060178 1196879496 /nfs/dbraw/zinc/87/94/96/1196879496.db2.gz XSJKRDSPKATXIF-QAPCUYQASA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C3CC3)[C@@H]2C)CC1 ZINC001089060178 1196879497 /nfs/dbraw/zinc/87/94/97/1196879497.db2.gz XSJKRDSPKATXIF-QAPCUYQASA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1 ZINC001106266634 1197807784 /nfs/dbraw/zinc/80/77/84/1197807784.db2.gz VGQIHJCHKTTYOR-ZACQAIPSSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H](C)C1 ZINC001106266634 1197807785 /nfs/dbraw/zinc/80/77/85/1197807785.db2.gz VGQIHJCHKTTYOR-ZACQAIPSSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386108 1200109460 /nfs/dbraw/zinc/10/94/60/1200109460.db2.gz XTKPQFMNDWGQPC-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386108 1200109470 /nfs/dbraw/zinc/10/94/70/1200109470.db2.gz XTKPQFMNDWGQPC-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001129386108 1200109477 /nfs/dbraw/zinc/10/94/77/1200109477.db2.gz XTKPQFMNDWGQPC-ZACQAIPSSA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109979259 1200662466 /nfs/dbraw/zinc/66/24/66/1200662466.db2.gz YQTOKZGBATWBHJ-LTIDMASMSA-N 2 1 364.490 0.073 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)C1=O ZINC001109979259 1200662480 /nfs/dbraw/zinc/66/24/80/1200662480.db2.gz YQTOKZGBATWBHJ-LTIDMASMSA-N 2 1 364.490 0.073 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001112563511 1200796047 /nfs/dbraw/zinc/79/60/47/1200796047.db2.gz YXBYBSBMBSYCIL-UWVAXJGDSA-N 2 1 360.502 0.296 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000804643805 1201384504 /nfs/dbraw/zinc/38/45/04/1201384504.db2.gz PMKITHCQOBHKNH-AYHJJNSGSA-N 2 1 360.502 0.531 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1n1ccnn1 ZINC001129919281 1201441724 /nfs/dbraw/zinc/44/17/24/1201441724.db2.gz UCWWKRWANROBLW-CVEARBPZSA-N 2 1 359.434 0.559 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@@H]1n1ccnn1 ZINC001130007643 1201476773 /nfs/dbraw/zinc/47/67/73/1201476773.db2.gz OPWCDXKYLGNENL-NXHRZFHOSA-N 2 1 369.473 0.963 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001130040565 1201478232 /nfs/dbraw/zinc/47/82/32/1201478232.db2.gz AVVVFSLOVBBLHZ-SJORKVTESA-N 2 1 362.478 0.308 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153247 1201518206 /nfs/dbraw/zinc/51/82/06/1201518206.db2.gz FYSOBEKYMALDBT-MOPGFXCFSA-N 2 1 366.469 0.775 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153247 1201518210 /nfs/dbraw/zinc/51/82/10/1201518210.db2.gz FYSOBEKYMALDBT-MOPGFXCFSA-N 2 1 366.469 0.775 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@@H+]2CCC[C@@H]2C)n1 ZINC001130238154 1201561137 /nfs/dbraw/zinc/56/11/37/1201561137.db2.gz WDBSHUIKVFHCGI-KKUMJFAQSA-N 2 1 362.478 0.553 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+]2CCC[C@@H]2C)[nH]1 ZINC001130238154 1201561141 /nfs/dbraw/zinc/56/11/41/1201561141.db2.gz WDBSHUIKVFHCGI-KKUMJFAQSA-N 2 1 362.478 0.553 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+]2CCC[C@@H]2C)[nH]1 ZINC001130238154 1201561144 /nfs/dbraw/zinc/56/11/44/1201561144.db2.gz WDBSHUIKVFHCGI-KKUMJFAQSA-N 2 1 362.478 0.553 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731789 1202772115 /nfs/dbraw/zinc/77/21/15/1202772115.db2.gz PNXPAIMLESUTMR-JQHSSLGASA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130731789 1202772119 /nfs/dbraw/zinc/77/21/19/1202772119.db2.gz PNXPAIMLESUTMR-JQHSSLGASA-N 2 1 361.490 0.601 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001131604905 1202918510 /nfs/dbraw/zinc/91/85/10/1202918510.db2.gz MOVXMZASPZKDRA-QRVBRYPASA-N 2 1 363.502 0.574 20 30 FCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncnc(C2C[NH2+]C2)c1[N+](=O)[O-] ZINC001171071306 1203305307 /nfs/dbraw/zinc/30/53/07/1203305307.db2.gz WVBJUTPBDWENTH-LBPRGKRZSA-N 2 1 364.406 0.710 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091749233 1204840877 /nfs/dbraw/zinc/84/08/77/1204840877.db2.gz FPLWWLFQMKECMG-AOIWGVFYSA-N 2 1 356.474 0.156 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091749233 1204840879 /nfs/dbraw/zinc/84/08/79/1204840879.db2.gz FPLWWLFQMKECMG-AOIWGVFYSA-N 2 1 356.474 0.156 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091749233 1204840880 /nfs/dbraw/zinc/84/08/80/1204840880.db2.gz FPLWWLFQMKECMG-AOIWGVFYSA-N 2 1 356.474 0.156 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCn3cncn3)C[C@@]2(C)C1 ZINC001091749233 1204840881 /nfs/dbraw/zinc/84/08/81/1204840881.db2.gz FPLWWLFQMKECMG-AOIWGVFYSA-N 2 1 356.474 0.156 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cnn(C)c1 ZINC001086982530 1204878122 /nfs/dbraw/zinc/87/81/22/1204878122.db2.gz OJPWRQSQFOODBP-BBWFWOEESA-N 2 1 352.442 0.711 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N(CC)CC)CC1 ZINC001110146031 1206090896 /nfs/dbraw/zinc/09/08/96/1206090896.db2.gz HSKMYJRUNGXFKJ-QYZOEREBSA-N 2 1 374.529 0.922 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N(CC)CC)CC1 ZINC001110146031 1206090897 /nfs/dbraw/zinc/09/08/97/1206090897.db2.gz HSKMYJRUNGXFKJ-QYZOEREBSA-N 2 1 374.529 0.922 20 30 FCEDMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)C[C@H]1C#N ZINC001172970646 1206264963 /nfs/dbraw/zinc/26/49/63/1206264963.db2.gz IUZBRZYDCPYRKL-CVEARBPZSA-N 2 1 370.494 0.544 20 30 FCEDMP C[NH+](C)C1(CC(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CCCC1 ZINC001188689857 1207472967 /nfs/dbraw/zinc/47/29/67/1207472967.db2.gz DRSLRVQFONSEOO-JKSUJKDBSA-N 2 1 361.490 0.423 20 30 FCEDMP C[NH+](C)C1(CC(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CCCC1 ZINC001188689857 1207472968 /nfs/dbraw/zinc/47/29/68/1207472968.db2.gz DRSLRVQFONSEOO-JKSUJKDBSA-N 2 1 361.490 0.423 20 30 FCEDMP Cc1[nH+]ccn1CCCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001189433592 1207550496 /nfs/dbraw/zinc/55/04/96/1207550496.db2.gz RBCIVQYORKBWBL-JKSUJKDBSA-N 2 1 358.446 0.144 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190323667 1207676199 /nfs/dbraw/zinc/67/61/99/1207676199.db2.gz ANLFGSIINKNDNK-FGTMMUONSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190323667 1207676201 /nfs/dbraw/zinc/67/62/01/1207676201.db2.gz ANLFGSIINKNDNK-FGTMMUONSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCCN1CCN(c2nc(C)nc(N3CC[NH+](CCC#C)CC3)n2)CC1 ZINC000775467624 1207804363 /nfs/dbraw/zinc/80/43/63/1207804363.db2.gz HCTBAQKZYLWFRG-UHFFFAOYSA-N 2 1 367.501 0.471 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OCC)C3CC3)C[C@H]2O)CC1 ZINC001199029373 1208312297 /nfs/dbraw/zinc/31/22/97/1208312297.db2.gz IJSBMTJJZPKYGL-GUDVDZBRSA-N 2 1 363.502 0.308 20 30 FCEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001199119805 1208319402 /nfs/dbraw/zinc/31/94/02/1208319402.db2.gz VVTPOYKRHRPQHS-QZTJIDSGSA-N 2 1 360.458 0.590 20 30 FCEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001199119805 1208319404 /nfs/dbraw/zinc/31/94/04/1208319404.db2.gz VVTPOYKRHRPQHS-QZTJIDSGSA-N 2 1 360.458 0.590 20 30 FCEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001199119805 1208319407 /nfs/dbraw/zinc/31/94/07/1208319407.db2.gz VVTPOYKRHRPQHS-QZTJIDSGSA-N 2 1 360.458 0.590 20 30 FCEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O ZINC001199119805 1208319412 /nfs/dbraw/zinc/31/94/12/1208319412.db2.gz VVTPOYKRHRPQHS-QZTJIDSGSA-N 2 1 360.458 0.590 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001488829220 1208555576 /nfs/dbraw/zinc/55/55/76/1208555576.db2.gz QNWKBTPQAOLISN-QBPKDAKJSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](OCC)C3CC3)C[C@@H]2O)CC1 ZINC001221066159 1225207859 /nfs/dbraw/zinc/20/78/59/1225207859.db2.gz IJSBMTJJZPKYGL-QYZOEREBSA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000884138729 1210716798 /nfs/dbraw/zinc/71/67/98/1210716798.db2.gz XBAFNLODTRLOAB-KRWDZBQOSA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000884138729 1210716800 /nfs/dbraw/zinc/71/68/00/1210716800.db2.gz XBAFNLODTRLOAB-KRWDZBQOSA-N 2 1 363.506 0.326 20 30 FCEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)N(CC)CCC#N)[C@@H]1C)[NH+](C)C ZINC001691724546 1210847697 /nfs/dbraw/zinc/84/76/97/1210847697.db2.gz PFRAVWIMYNHAEY-PMPSAXMXSA-N 2 1 351.495 0.668 20 30 FCEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)N(CC)CCC#N)[C@@H]1C)[NH+](C)C ZINC001691724546 1210847698 /nfs/dbraw/zinc/84/76/98/1210847698.db2.gz PFRAVWIMYNHAEY-PMPSAXMXSA-N 2 1 351.495 0.668 20 30 FCEDMP C[NH+](C)CCN1C(=O)COCC12C[NH+](CCCc1cccc(C#N)c1)C2 ZINC001276281313 1211405708 /nfs/dbraw/zinc/40/57/08/1211405708.db2.gz XZSASIHYLADHCA-UHFFFAOYSA-N 2 1 356.470 0.966 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001110956300 1211615027 /nfs/dbraw/zinc/61/50/27/1211615027.db2.gz BRQCVVWNYSTOLH-NCOADZHNSA-N 2 1 360.502 0.837 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@H](NC(=O)C2(C[NH+](C)C)CC2)C3)C1=O ZINC001110956300 1211615029 /nfs/dbraw/zinc/61/50/29/1211615029.db2.gz BRQCVVWNYSTOLH-NCOADZHNSA-N 2 1 360.502 0.837 20 30 FCEDMP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@H]4CC[N@@H+](C)C[C@H]4C3)CC2)o1 ZINC000931441727 1211755986 /nfs/dbraw/zinc/75/59/86/1211755986.db2.gz XFTIWJOHHFUBJN-CVEARBPZSA-N 2 1 372.473 0.387 20 30 FCEDMP Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@H]4CC[N@H+](C)C[C@H]4C3)CC2)o1 ZINC000931441727 1211755991 /nfs/dbraw/zinc/75/59/91/1211755991.db2.gz XFTIWJOHHFUBJN-CVEARBPZSA-N 2 1 372.473 0.387 20 30 FCEDMP Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)CC2)o1 ZINC000931441727 1211755992 /nfs/dbraw/zinc/75/59/92/1211755992.db2.gz XFTIWJOHHFUBJN-CVEARBPZSA-N 2 1 372.473 0.387 20 30 FCEDMP Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3C[C@H]4CC[NH+](C)C[C@H]4C3)CC2)o1 ZINC000931441727 1211755995 /nfs/dbraw/zinc/75/59/95/1211755995.db2.gz XFTIWJOHHFUBJN-CVEARBPZSA-N 2 1 372.473 0.387 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957089431 1213248942 /nfs/dbraw/zinc/24/89/42/1213248942.db2.gz HTLHGELXPGBLCA-ZACQAIPSSA-N 2 1 358.486 0.143 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000957089431 1213248950 /nfs/dbraw/zinc/24/89/50/1213248950.db2.gz HTLHGELXPGBLCA-ZACQAIPSSA-N 2 1 358.486 0.143 20 30 FCEDMP COC[C@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000304763160 1213491653 /nfs/dbraw/zinc/49/16/53/1213491653.db2.gz WNEIHCQCKVXLRV-YOEHRIQHSA-N 2 1 361.490 0.823 20 30 FCEDMP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C[NH+]1CCOCC1 ZINC000304744855 1213491831 /nfs/dbraw/zinc/49/18/31/1213491831.db2.gz DWLPQIPOISJLSH-HNNXBMFYSA-N 2 1 369.510 0.822 20 30 FCEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC000960523133 1213802752 /nfs/dbraw/zinc/80/27/52/1213802752.db2.gz FVONGRMVNHFMMF-SFKBXODTSA-N 2 1 354.454 0.824 20 30 FCEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC000960523133 1213802756 /nfs/dbraw/zinc/80/27/56/1213802756.db2.gz FVONGRMVNHFMMF-SFKBXODTSA-N 2 1 354.454 0.824 20 30 FCEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC000960523133 1213802758 /nfs/dbraw/zinc/80/27/58/1213802758.db2.gz FVONGRMVNHFMMF-SFKBXODTSA-N 2 1 354.454 0.824 20 30 FCEDMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(C#N)cc4)C[C@H]32)O1 ZINC000960523133 1213802763 /nfs/dbraw/zinc/80/27/63/1213802763.db2.gz FVONGRMVNHFMMF-SFKBXODTSA-N 2 1 354.454 0.824 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818266 1225492401 /nfs/dbraw/zinc/49/24/01/1225492401.db2.gz NUNQELDXGNKJCS-BRWVUGGUSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818266 1225492402 /nfs/dbraw/zinc/49/24/02/1225492402.db2.gz NUNQELDXGNKJCS-BRWVUGGUSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818266 1225492403 /nfs/dbraw/zinc/49/24/03/1225492403.db2.gz NUNQELDXGNKJCS-BRWVUGGUSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001221818266 1225492408 /nfs/dbraw/zinc/49/24/08/1225492408.db2.gz NUNQELDXGNKJCS-BRWVUGGUSA-N 2 1 362.518 0.635 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001221862918 1225510573 /nfs/dbraw/zinc/51/05/73/1225510573.db2.gz XJYFBDMOAWSWGB-SJLPKXTDSA-N 2 1 361.490 0.794 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014277 1225575581 /nfs/dbraw/zinc/57/55/81/1225575581.db2.gz ZCDRMNKNFKRSHN-KZNAEPCWSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222014277 1225575585 /nfs/dbraw/zinc/57/55/85/1225575585.db2.gz ZCDRMNKNFKRSHN-KZNAEPCWSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222014277 1225575589 /nfs/dbraw/zinc/57/55/89/1225575589.db2.gz ZCDRMNKNFKRSHN-KZNAEPCWSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222014277 1225575593 /nfs/dbraw/zinc/57/55/93/1225575593.db2.gz ZCDRMNKNFKRSHN-KZNAEPCWSA-N 2 1 362.518 0.895 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001222046555 1225589891 /nfs/dbraw/zinc/58/98/91/1225589891.db2.gz KBAMXCHPXHQOSD-QXAKKESOSA-N 2 1 370.497 0.002 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](CC#C)CC3)[C@@H]2C1 ZINC001222046555 1225589897 /nfs/dbraw/zinc/58/98/97/1225589897.db2.gz KBAMXCHPXHQOSD-QXAKKESOSA-N 2 1 370.497 0.002 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223488785 1225708888 /nfs/dbraw/zinc/70/88/88/1225708888.db2.gz BNUOSSYWJSTMNT-SQNIBIBYSA-N 2 1 362.518 0.779 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]21 ZINC001223488785 1225708889 /nfs/dbraw/zinc/70/88/89/1225708889.db2.gz BNUOSSYWJSTMNT-SQNIBIBYSA-N 2 1 362.518 0.779 20 30 FCEDMP C=CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001224037045 1225753124 /nfs/dbraw/zinc/75/31/24/1225753124.db2.gz PDBAVFPUULDNHM-WBVHZDCISA-N 2 1 359.474 0.578 20 30 FCEDMP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224222658 1225765474 /nfs/dbraw/zinc/76/54/74/1225765474.db2.gz SRZPXYUWEOVNES-SJORKVTESA-N 2 1 361.490 0.425 20 30 FCEDMP N#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001224222658 1225765480 /nfs/dbraw/zinc/76/54/80/1225765480.db2.gz SRZPXYUWEOVNES-SJORKVTESA-N 2 1 361.490 0.425 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3nccnc3C#N)CC2)CC[N@@H+]1C ZINC001096258792 1218195974 /nfs/dbraw/zinc/19/59/74/1218195974.db2.gz FUVRVLQKTPUXMV-HZPDHXFCSA-N 2 1 371.489 0.317 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3nccnc3C#N)CC2)CC[N@H+]1C ZINC001096258792 1218195976 /nfs/dbraw/zinc/19/59/76/1218195976.db2.gz FUVRVLQKTPUXMV-HZPDHXFCSA-N 2 1 371.489 0.317 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCN(C)C2=O)CC1 ZINC001096605599 1218575688 /nfs/dbraw/zinc/57/56/88/1218575688.db2.gz WHLDECPTJFCTPZ-VSZNYVQBSA-N 2 1 358.486 0.284 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCN(C)C2=O)CC1 ZINC001096605599 1218575696 /nfs/dbraw/zinc/57/56/96/1218575696.db2.gz WHLDECPTJFCTPZ-VSZNYVQBSA-N 2 1 358.486 0.284 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001096607715 1218577005 /nfs/dbraw/zinc/57/70/05/1218577005.db2.gz IVMKYZINYJGERI-VSZNYVQBSA-N 2 1 358.486 0.332 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260314 1219330277 /nfs/dbraw/zinc/33/02/77/1219330277.db2.gz COYNYQLDOMCSLC-NXHRZFHOSA-N 2 1 369.473 0.963 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001070381650 1219406919 /nfs/dbraw/zinc/40/69/19/1219406919.db2.gz NDGQUSQICOWGRB-MDYRTPRTSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605580 1219672301 /nfs/dbraw/zinc/67/23/01/1219672301.db2.gz ODODILCYRVRNCI-QRVBRYPASA-N 2 1 363.502 0.574 20 30 FCEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001073605580 1219672303 /nfs/dbraw/zinc/67/23/03/1219672303.db2.gz ODODILCYRVRNCI-QRVBRYPASA-N 2 1 363.502 0.574 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101320618 1220287726 /nfs/dbraw/zinc/28/77/26/1220287726.db2.gz QKYWVXLQGODSDF-UZLBHIALSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@]2(C)C1 ZINC001101342728 1220295843 /nfs/dbraw/zinc/29/58/43/1220295843.db2.gz KQCINAFYJMRPCA-FCEWJHQRSA-N 2 1 360.502 0.246 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@]2(C)C1 ZINC001101461625 1220360157 /nfs/dbraw/zinc/36/01/57/1220360157.db2.gz LMGYHDSSOKZYBX-NSHGMRRFSA-N 2 1 363.502 0.385 20 30 FCEDMP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101476512 1220367623 /nfs/dbraw/zinc/36/76/23/1220367623.db2.gz WZCYNOYTLGDCCT-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101476512 1220367627 /nfs/dbraw/zinc/36/76/27/1220367627.db2.gz WZCYNOYTLGDCCT-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101476512 1220367631 /nfs/dbraw/zinc/36/76/31/1220367631.db2.gz WZCYNOYTLGDCCT-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP CC[NH+]1CCCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101476512 1220367635 /nfs/dbraw/zinc/36/76/35/1220367635.db2.gz WZCYNOYTLGDCCT-GJYPPUQNSA-N 2 1 361.490 0.281 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815840 1220407907 /nfs/dbraw/zinc/40/79/07/1220407907.db2.gz VTZGGFDMFGMGEI-KURKYZTESA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815840 1220407908 /nfs/dbraw/zinc/40/79/08/1220407908.db2.gz VTZGGFDMFGMGEI-KURKYZTESA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815840 1220407911 /nfs/dbraw/zinc/40/79/11/1220407911.db2.gz VTZGGFDMFGMGEI-KURKYZTESA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC001102122787 1220510760 /nfs/dbraw/zinc/51/07/60/1220510760.db2.gz LURKEDJIEAVXDG-BRWVUGGUSA-N 2 1 362.518 0.990 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171053 1220532973 /nfs/dbraw/zinc/53/29/73/1220532973.db2.gz CGYFAKBJGDSZQE-MJQPBPLVSA-N 2 1 363.502 0.736 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171053 1220532983 /nfs/dbraw/zinc/53/29/83/1220532983.db2.gz CGYFAKBJGDSZQE-MJQPBPLVSA-N 2 1 363.502 0.736 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](C)C1 ZINC001102171053 1220532990 /nfs/dbraw/zinc/53/29/90/1220532990.db2.gz CGYFAKBJGDSZQE-MJQPBPLVSA-N 2 1 363.502 0.736 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@H](C)C2)C1=O ZINC001102289071 1220576306 /nfs/dbraw/zinc/57/63/06/1220576306.db2.gz AJYLFYGREKIWLL-BRWVUGGUSA-N 2 1 362.518 0.799 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001102427466 1220622439 /nfs/dbraw/zinc/62/24/39/1220622439.db2.gz VNXVJHKYRZGIBQ-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427466 1220622445 /nfs/dbraw/zinc/62/24/45/1220622445.db2.gz VNXVJHKYRZGIBQ-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H](C)C1 ZINC001102427466 1220622453 /nfs/dbraw/zinc/62/24/53/1220622453.db2.gz VNXVJHKYRZGIBQ-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC001102597990 1220719615 /nfs/dbraw/zinc/71/96/15/1220719615.db2.gz JCKVRQCHAGLIFM-SJLPKXTDSA-N 2 1 370.497 0.795 20 30 FCEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001103060582 1220826699 /nfs/dbraw/zinc/82/66/99/1220826699.db2.gz UCLNOTCWQBRRCJ-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103060582 1220826702 /nfs/dbraw/zinc/82/67/02/1220826702.db2.gz UCLNOTCWQBRRCJ-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001103060582 1220826705 /nfs/dbraw/zinc/82/67/05/1220826705.db2.gz UCLNOTCWQBRRCJ-BRWVUGGUSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001103648066 1220927634 /nfs/dbraw/zinc/92/76/34/1220927634.db2.gz SBSWQSVSECECIL-HZPDHXFCSA-N 2 1 371.485 0.585 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001103757129 1220965261 /nfs/dbraw/zinc/96/52/61/1220965261.db2.gz MYFPVILTBCIBTE-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103757129 1220965264 /nfs/dbraw/zinc/96/52/64/1220965264.db2.gz MYFPVILTBCIBTE-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001103757129 1220965268 /nfs/dbraw/zinc/96/52/68/1220965268.db2.gz MYFPVILTBCIBTE-KURKYZTESA-N 2 1 362.518 0.684 20 30 FCEDMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001112359963 1221245714 /nfs/dbraw/zinc/24/57/14/1221245714.db2.gz WDQZBBBWWQGIMA-OLMMMNRUSA-N 2 1 361.490 0.185 20 30 FCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCC#N)C1 ZINC001112439204 1221259259 /nfs/dbraw/zinc/25/92/59/1221259259.db2.gz OKPRATMNYYZFAJ-KXBFYZLASA-N 2 1 363.506 0.575 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001230138543 1226056866 /nfs/dbraw/zinc/05/68/66/1226056866.db2.gz PBVIXHKFBAIXBY-GVDBMIGSSA-N 2 1 363.506 0.717 20 30 FCEDMP COc1ccc(N2CC[NH+](CCNC(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC000829500662 1222439672 /nfs/dbraw/zinc/43/96/72/1222439672.db2.gz OYKAOBGMOAKQGZ-SFHVURJKSA-N 2 1 359.474 0.955 20 30 FCEDMP C[N@@H+]1C[C@H]2CN(C(=O)c3cccc(NC(=O)[C@@H]4C[C@H](S)C[NH2+]4)c3)C[C@H]2C1 ZINC001160704129 1223169349 /nfs/dbraw/zinc/16/93/49/1223169349.db2.gz GZYQMXIJLGZYOY-FSDCSDTHSA-N 2 1 374.510 0.919 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001208597133 1223562493 /nfs/dbraw/zinc/56/24/93/1223562493.db2.gz JJVLUYQPIYVKGG-RCCFBDPRSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001208597133 1223562496 /nfs/dbraw/zinc/56/24/96/1223562496.db2.gz JJVLUYQPIYVKGG-RCCFBDPRSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208597133 1223562503 /nfs/dbraw/zinc/56/25/03/1223562503.db2.gz JJVLUYQPIYVKGG-RCCFBDPRSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001208597133 1223562509 /nfs/dbraw/zinc/56/25/09/1223562509.db2.gz JJVLUYQPIYVKGG-RCCFBDPRSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829312 1223652149 /nfs/dbraw/zinc/65/21/49/1223652149.db2.gz CBKXDQUWAGHFBC-HLLBOEOZSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001209829312 1223652151 /nfs/dbraw/zinc/65/21/51/1223652151.db2.gz CBKXDQUWAGHFBC-HLLBOEOZSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210539216 1223696683 /nfs/dbraw/zinc/69/66/83/1223696683.db2.gz XOGHVFJJZLMDMM-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210539216 1223696685 /nfs/dbraw/zinc/69/66/85/1223696685.db2.gz XOGHVFJJZLMDMM-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210539216 1223696688 /nfs/dbraw/zinc/69/66/88/1223696688.db2.gz XOGHVFJJZLMDMM-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210539216 1223696691 /nfs/dbraw/zinc/69/66/91/1223696691.db2.gz XOGHVFJJZLMDMM-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CCc3cncn3C)C2)C1=O ZINC001210723941 1223705083 /nfs/dbraw/zinc/70/50/83/1223705083.db2.gz QRFIOQLGRDWXOL-OIISXLGYSA-N 2 1 359.474 0.576 20 30 FCEDMP C=CCN1CC[C@H](N2C[C@@H](C)[C@H](NC(=O)CCc3cncn3C)C2)C1=O ZINC001210723941 1223705087 /nfs/dbraw/zinc/70/50/87/1223705087.db2.gz QRFIOQLGRDWXOL-OIISXLGYSA-N 2 1 359.474 0.576 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(=O)NCC=C)C[C@H]2C)CC1 ZINC001211343844 1223736114 /nfs/dbraw/zinc/73/61/14/1223736114.db2.gz OKSKKGWREHTQHF-SOLBZPMBSA-N 2 1 360.502 0.459 20 30 FCEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001214662120 1223929921 /nfs/dbraw/zinc/92/99/21/1223929921.db2.gz VANYDCQREPHZQC-QLFBSQMISA-N 2 1 360.462 0.473 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540298 1224005444 /nfs/dbraw/zinc/00/54/44/1224005444.db2.gz LELQRPCGXRFCJE-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216214019 1224039339 /nfs/dbraw/zinc/03/93/39/1224039339.db2.gz VITYQWDUXQMGIT-QLFBSQMISA-N 2 1 367.494 0.165 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216986925 1224083356 /nfs/dbraw/zinc/08/33/56/1224083356.db2.gz FDVRHHFKVBMCEP-SJLPKXTDSA-N 2 1 356.470 0.304 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC001216986925 1224083359 /nfs/dbraw/zinc/08/33/59/1224083359.db2.gz FDVRHHFKVBMCEP-SJLPKXTDSA-N 2 1 356.470 0.304 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)C1 ZINC000923575292 1245730947 /nfs/dbraw/zinc/73/09/47/1245730947.db2.gz MTQFJONHCLHJSM-BZSNNMDCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)C1 ZINC000923575292 1245730951 /nfs/dbraw/zinc/73/09/51/1245730951.db2.gz MTQFJONHCLHJSM-BZSNNMDCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)C1 ZINC000923575292 1245730958 /nfs/dbraw/zinc/73/09/58/1245730958.db2.gz MTQFJONHCLHJSM-BZSNNMDCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[NH+]3CC)C2)C1 ZINC000923575292 1245730963 /nfs/dbraw/zinc/73/09/63/1245730963.db2.gz MTQFJONHCLHJSM-BZSNNMDCSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000944050983 1247458261 /nfs/dbraw/zinc/45/82/61/1247458261.db2.gz TYBVKGMWBHZZKL-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000944050983 1247458265 /nfs/dbraw/zinc/45/82/65/1247458265.db2.gz TYBVKGMWBHZZKL-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000944050983 1247458267 /nfs/dbraw/zinc/45/82/67/1247458267.db2.gz TYBVKGMWBHZZKL-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000944050983 1247458274 /nfs/dbraw/zinc/45/82/74/1247458274.db2.gz TYBVKGMWBHZZKL-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C3)CC1 ZINC000995929578 1251071043 /nfs/dbraw/zinc/07/10/43/1251071043.db2.gz KUTUHTXVXPPNSR-XWSJACJDSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000997770542 1251699525 /nfs/dbraw/zinc/69/95/25/1251699525.db2.gz ZHJRZODDPVWDDY-OWSLCNJRSA-N 2 1 370.497 0.428 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C12CC[NH+](CC1)C2 ZINC000997770542 1251699540 /nfs/dbraw/zinc/69/95/40/1251699540.db2.gz ZHJRZODDPVWDDY-OWSLCNJRSA-N 2 1 370.497 0.428 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCC1 ZINC001063480370 1254341191 /nfs/dbraw/zinc/34/11/91/1254341191.db2.gz SEWNEAISACCUOH-ZACQAIPSSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001063480370 1254341195 /nfs/dbraw/zinc/34/11/95/1254341195.db2.gz SEWNEAISACCUOH-ZACQAIPSSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCC1 ZINC001063480370 1254341206 /nfs/dbraw/zinc/34/12/06/1254341206.db2.gz SEWNEAISACCUOH-ZACQAIPSSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CCC1 ZINC001063480370 1254341216 /nfs/dbraw/zinc/34/12/16/1254341216.db2.gz SEWNEAISACCUOH-ZACQAIPSSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@H]2O)CC1 ZINC001078227124 1255339119 /nfs/dbraw/zinc/33/91/19/1255339119.db2.gz JZKSCLZLOHSDGX-WOJBJXKFSA-N 2 1 371.481 0.702 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@H]2O)CC1 ZINC001078227124 1255339125 /nfs/dbraw/zinc/33/91/25/1255339125.db2.gz JZKSCLZLOHSDGX-WOJBJXKFSA-N 2 1 371.481 0.702 20 30 FCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274066 1255498685 /nfs/dbraw/zinc/49/86/85/1255498685.db2.gz FGYDOFPXGFYCBP-KSZLIROESA-N 2 1 361.486 0.280 20 30 FCEDMP C#CC[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)[C@@H]3COC[C@@H]32)CC1 ZINC001079274066 1255498695 /nfs/dbraw/zinc/49/86/95/1255498695.db2.gz FGYDOFPXGFYCBP-KSZLIROESA-N 2 1 361.486 0.280 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)C1=O ZINC001080559090 1255929645 /nfs/dbraw/zinc/92/96/45/1255929645.db2.gz UMOLZCOWGDFPJH-NXHRZFHOSA-N 2 1 362.518 0.942 20 30 FCEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081683773 1256333043 /nfs/dbraw/zinc/33/30/43/1256333043.db2.gz MMQCETVBACRQLH-MKXGPGLRSA-N 2 1 363.502 0.572 20 30 FCEDMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001081683773 1256333049 /nfs/dbraw/zinc/33/30/49/1256333049.db2.gz MMQCETVBACRQLH-MKXGPGLRSA-N 2 1 363.502 0.572 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@H]3CCOC3)C[C@H]2OC)CC1 ZINC001082384377 1256734538 /nfs/dbraw/zinc/73/45/38/1256734538.db2.gz RXNMHWHHQAKGRS-QXAKKESOSA-N 2 1 363.502 0.574 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OC)C3CCC3)C[C@@H]2O)CC1 ZINC001084090030 1257914722 /nfs/dbraw/zinc/91/47/22/1257914722.db2.gz HAJRLGZABWBNHM-CEXWTWQISA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCc3cnn(C)c3)[C@H]2C1 ZINC001084961082 1258472857 /nfs/dbraw/zinc/47/28/57/1258472857.db2.gz JMZIEWLWXOCSCF-AABGKKOBSA-N 2 1 369.513 0.983 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCc3cnn(C)c3)[C@H]2C1 ZINC001084961082 1258472861 /nfs/dbraw/zinc/47/28/61/1258472861.db2.gz JMZIEWLWXOCSCF-AABGKKOBSA-N 2 1 369.513 0.983 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCc3cnn(C)c3)[C@H]2C1 ZINC001084961082 1258472863 /nfs/dbraw/zinc/47/28/63/1258472863.db2.gz JMZIEWLWXOCSCF-AABGKKOBSA-N 2 1 369.513 0.983 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCc3cnn(C)c3)[C@H]2C1 ZINC001084961082 1258472866 /nfs/dbraw/zinc/47/28/66/1258472866.db2.gz JMZIEWLWXOCSCF-AABGKKOBSA-N 2 1 369.513 0.983 20 30 FCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945493 1258766646 /nfs/dbraw/zinc/76/66/46/1258766646.db2.gz RBAKCUMUCWMBMH-KZNAEPCWSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[NH+]1C[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945493 1258766650 /nfs/dbraw/zinc/76/66/50/1258766650.db2.gz RBAKCUMUCWMBMH-KZNAEPCWSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[N@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945493 1258766656 /nfs/dbraw/zinc/76/66/56/1258766656.db2.gz RBAKCUMUCWMBMH-KZNAEPCWSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC2(CCOCC2)C1 ZINC001089945493 1258766661 /nfs/dbraw/zinc/76/66/61/1258766661.db2.gz RBAKCUMUCWMBMH-KZNAEPCWSA-N 2 1 363.502 0.716 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)N(CC)CCC#N)[C@H](C)C1 ZINC001106905768 1258992591 /nfs/dbraw/zinc/99/25/91/1258992591.db2.gz GWHPXRKEJWHEIK-IAGOWNOFSA-N 2 1 365.522 0.774 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448813 1259093130 /nfs/dbraw/zinc/09/31/30/1259093130.db2.gz VWARHYQKDULNFF-SOAMZJECSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448813 1259093138 /nfs/dbraw/zinc/09/31/38/1259093138.db2.gz VWARHYQKDULNFF-SOAMZJECSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448813 1259093145 /nfs/dbraw/zinc/09/31/45/1259093145.db2.gz VWARHYQKDULNFF-SOAMZJECSA-N 2 1 363.502 0.716 20 30 FCEDMP COCC#CC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC[C@@H]12 ZINC001107448813 1259093154 /nfs/dbraw/zinc/09/31/54/1259093154.db2.gz VWARHYQKDULNFF-SOAMZJECSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609514 1259133563 /nfs/dbraw/zinc/13/35/63/1259133563.db2.gz VTCKGAWVYVSKHC-SQGPQFPESA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609514 1259133568 /nfs/dbraw/zinc/13/35/68/1259133568.db2.gz VTCKGAWVYVSKHC-SQGPQFPESA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609514 1259133570 /nfs/dbraw/zinc/13/35/70/1259133570.db2.gz VTCKGAWVYVSKHC-SQGPQFPESA-N 2 1 360.502 0.438 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634137 1259139730 /nfs/dbraw/zinc/13/97/30/1259139730.db2.gz LSGCZBKKYFKUBT-VQIMIIECSA-N 2 1 359.474 0.855 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)Cn3cc[nH+]c3C)CCC[C@@H]12 ZINC001107634137 1259139736 /nfs/dbraw/zinc/13/97/36/1259139736.db2.gz LSGCZBKKYFKUBT-VQIMIIECSA-N 2 1 359.474 0.855 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001109403475 1259158388 /nfs/dbraw/zinc/15/83/88/1259158388.db2.gz IRMCEBAPFMFRST-LTIDMASMSA-N 2 1 360.502 0.979 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C2([NH+](C)C)CCC2)C3)C1=O ZINC001109403475 1259158390 /nfs/dbraw/zinc/15/83/90/1259158390.db2.gz IRMCEBAPFMFRST-LTIDMASMSA-N 2 1 360.502 0.979 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](n2ccnn2)C1 ZINC001129079386 1259306268 /nfs/dbraw/zinc/30/62/68/1259306268.db2.gz HXRBUCHSDFUOMY-MSOLQXFVSA-N 2 1 367.457 0.564 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219681 1259348148 /nfs/dbraw/zinc/34/81/48/1259348148.db2.gz JKWMSDIHJYMNIY-CVEARBPZSA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](n2ccnn2)C1 ZINC001129219681 1259348153 /nfs/dbraw/zinc/34/81/53/1259348153.db2.gz JKWMSDIHJYMNIY-CVEARBPZSA-N 2 1 362.478 0.164 20 30 FCEDMP N#Cc1ccc(C(=O)N2CCC(N3CC[NH2+]C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC001246624890 1259656530 /nfs/dbraw/zinc/65/65/30/1259656530.db2.gz DANMWZSMGSSOBG-FQEVSTJZSA-N 2 1 353.470 0.800 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](C[C@H](O)C[NH+](CC)CC)C2 ZINC001253181460 1259825944 /nfs/dbraw/zinc/82/59/44/1259825944.db2.gz FLAGZKOTDTUFTE-QUCCMNQESA-N 2 1 366.550 0.872 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](C[C@H](O)C[NH+](CC)CC)C2 ZINC001253181460 1259825953 /nfs/dbraw/zinc/82/59/53/1259825953.db2.gz FLAGZKOTDTUFTE-QUCCMNQESA-N 2 1 366.550 0.872 20 30 FCEDMP C=C(CC[NH+](C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C)CC1 ZINC001303492155 1263100080 /nfs/dbraw/zinc/10/00/80/1263100080.db2.gz LPLVNALPMNSJIX-IBGZPJMESA-N 2 1 372.513 0.996 20 30 FCEDMP C#CCN(C)c1nnc(C2CC[NH2+]CC2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001574604411 1271410098 /nfs/dbraw/zinc/41/00/98/1271410098.db2.gz OSEHGECTZQSMNP-UHFFFAOYSA-N 2 1 373.549 0.841 20 30 FCEDMP C#CCN(C)c1nnc(C2CC[NH2+]CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001574604411 1271410106 /nfs/dbraw/zinc/41/01/06/1271410106.db2.gz OSEHGECTZQSMNP-UHFFFAOYSA-N 2 1 373.549 0.841 20 30 FCEDMP C#CCN(C)c1nnc(C2CC[NH2+]CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001574604411 1271410117 /nfs/dbraw/zinc/41/01/17/1271410117.db2.gz OSEHGECTZQSMNP-UHFFFAOYSA-N 2 1 373.549 0.841 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCc2c[nH]nn2)C2CCCC2)CC1 ZINC001574967540 1271685729 /nfs/dbraw/zinc/68/57/29/1271685729.db2.gz UTSFUGSZEGFIFJ-LJQANCHMSA-N 2 1 372.517 0.957 20 30 FCEDMP C[C@@H]1CCC[N@@H+](CCn2c([C@H]3C[C@@H]([NH3+])C3)nnc2N2CCO[C@@H](C#N)C2)C1 ZINC001576710231 1273579892 /nfs/dbraw/zinc/57/98/92/1273579892.db2.gz YZVOHLPENDSFNV-NCOADZHNSA-N 2 1 373.505 0.943 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001692086642 1289395791 /nfs/dbraw/zinc/39/57/91/1289395791.db2.gz HYPNUNQHMWSALC-MSOLQXFVSA-N 2 1 360.502 0.392 20 30 FCEDMP C=CCN1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001689021705 1294573234 /nfs/dbraw/zinc/57/32/34/1294573234.db2.gz FSYVVVDCLSMYKS-BBWFWOEESA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001689229986 1294684901 /nfs/dbraw/zinc/68/49/01/1294684901.db2.gz JOJBSAOENJNEGJ-ZACQAIPSSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)[C@H](C)C1 ZINC001101958813 844346912 /nfs/dbraw/zinc/34/69/12/844346912.db2.gz UQOWTDYURVRQOM-BRWVUGGUSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101958813 844346920 /nfs/dbraw/zinc/34/69/20/844346920.db2.gz UQOWTDYURVRQOM-BRWVUGGUSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H](C)C1 ZINC001101958813 844346932 /nfs/dbraw/zinc/34/69/32/844346932.db2.gz UQOWTDYURVRQOM-BRWVUGGUSA-N 2 1 350.507 0.846 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)[C@H](C)C1 ZINC001102015814 844374446 /nfs/dbraw/zinc/37/44/46/844374446.db2.gz RXMQXGGUXUUIJE-BZUAXINKSA-N 2 1 354.470 0.100 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273532 844456033 /nfs/dbraw/zinc/45/60/33/844456033.db2.gz FVNAAGASVONUMZ-KURKYZTESA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273532 844456042 /nfs/dbraw/zinc/45/60/42/844456042.db2.gz FVNAAGASVONUMZ-KURKYZTESA-N 2 1 353.507 0.982 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@H](C)C1 ZINC001102273532 844456050 /nfs/dbraw/zinc/45/60/50/844456050.db2.gz FVNAAGASVONUMZ-KURKYZTESA-N 2 1 353.507 0.982 20 30 FCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098610693 843927539 /nfs/dbraw/zinc/92/75/39/843927539.db2.gz OTTDNOXKZCLDBA-IXDOHACOSA-N 2 1 351.491 0.973 20 30 FCEDMP C=CC[NH+]1CCC2(CC1)CN(C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1)C[C@H](C)O2 ZINC001098610693 843927546 /nfs/dbraw/zinc/92/75/46/843927546.db2.gz OTTDNOXKZCLDBA-IXDOHACOSA-N 2 1 351.491 0.973 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103098787 844699831 /nfs/dbraw/zinc/69/98/31/844699831.db2.gz KQRWXXGJRXDYIJ-ZACQAIPSSA-N 2 1 369.531 0.203 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCS(C)(=O)=O)C[C@H]1C ZINC001103098787 844699840 /nfs/dbraw/zinc/69/98/40/844699840.db2.gz KQRWXXGJRXDYIJ-ZACQAIPSSA-N 2 1 369.531 0.203 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001103098787 844699846 /nfs/dbraw/zinc/69/98/46/844699846.db2.gz KQRWXXGJRXDYIJ-ZACQAIPSSA-N 2 1 369.531 0.203 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCS(C)(=O)=O)C[C@H]1C ZINC001103098787 844699853 /nfs/dbraw/zinc/69/98/53/844699853.db2.gz KQRWXXGJRXDYIJ-ZACQAIPSSA-N 2 1 369.531 0.203 20 30 FCEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104363037 844900508 /nfs/dbraw/zinc/90/05/08/844900508.db2.gz WDWNQNDSQASTAH-HUUCEWRRSA-N 2 1 351.495 0.431 20 30 FCEDMP C=CCOCC[NH2+]CC[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001104794642 844944793 /nfs/dbraw/zinc/94/47/93/844944793.db2.gz FOJBNLBQTBZBQN-QZTJIDSGSA-N 2 1 353.507 0.986 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1 ZINC001106266437 845145370 /nfs/dbraw/zinc/14/53/70/845145370.db2.gz JUDXHVQIGIIPLS-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCOCCOC)[C@H](C)C1 ZINC001106266437 845145374 /nfs/dbraw/zinc/14/53/74/845145374.db2.gz JUDXHVQIGIIPLS-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276814783 861624949 /nfs/dbraw/zinc/62/49/49/861624949.db2.gz KHDWMMFWVGTLJZ-MJGOQNOKSA-N 2 1 350.507 0.238 20 30 FCEDMP C=C[C@@H](O)C[N@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276814783 861624956 /nfs/dbraw/zinc/62/49/56/861624956.db2.gz KHDWMMFWVGTLJZ-MJGOQNOKSA-N 2 1 350.507 0.238 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276814783 861624964 /nfs/dbraw/zinc/62/49/64/861624964.db2.gz KHDWMMFWVGTLJZ-MJGOQNOKSA-N 2 1 350.507 0.238 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212252 846469707 /nfs/dbraw/zinc/46/97/07/846469707.db2.gz VVKMNYATOINORL-CHWSQXEVSA-N 2 1 364.412 0.608 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC001112212252 846469711 /nfs/dbraw/zinc/46/97/11/846469711.db2.gz VVKMNYATOINORL-CHWSQXEVSA-N 2 1 364.412 0.608 20 30 FCEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@H+](C)CCO1)C2 ZINC001112291304 846490325 /nfs/dbraw/zinc/49/03/25/846490325.db2.gz FVEHMSXMLFBCTG-SCTDSRPQSA-N 2 1 351.491 0.738 20 30 FCEDMP C=CCOCC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1C[N@@H+](C)CCO1)C2 ZINC001112291304 846490329 /nfs/dbraw/zinc/49/03/29/846490329.db2.gz FVEHMSXMLFBCTG-SCTDSRPQSA-N 2 1 351.491 0.738 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)CC[N@H+](C)CC)C2 ZINC001112557679 846523148 /nfs/dbraw/zinc/52/31/48/846523148.db2.gz SAOBEWAADIYYOL-LPHOPBHVSA-N 2 1 350.507 0.849 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CC)[nH]1 ZINC001130247016 848985699 /nfs/dbraw/zinc/98/56/99/848985699.db2.gz QUDLMEOOGNTUMK-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@@H+](C)CC)n1 ZINC001130247016 848985700 /nfs/dbraw/zinc/98/57/00/848985700.db2.gz QUDLMEOOGNTUMK-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@H+](C)CC)n1 ZINC001130247016 848985705 /nfs/dbraw/zinc/98/57/05/848985705.db2.gz QUDLMEOOGNTUMK-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@@H+](C)CC)n[nH]1 ZINC001130247016 848985710 /nfs/dbraw/zinc/98/57/10/848985710.db2.gz QUDLMEOOGNTUMK-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@H+](C)CC)n[nH]1 ZINC001130247016 848985715 /nfs/dbraw/zinc/98/57/15/848985715.db2.gz QUDLMEOOGNTUMK-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP CC#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001151180571 849680997 /nfs/dbraw/zinc/68/09/97/849680997.db2.gz SSUJEFHDMZWHGJ-IAGOWNOFSA-N 2 1 351.491 0.716 20 30 FCEDMP CC#CC[NH+]1CCC(CCOC)(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001151180571 849680998 /nfs/dbraw/zinc/68/09/98/849680998.db2.gz SSUJEFHDMZWHGJ-IAGOWNOFSA-N 2 1 351.491 0.716 20 30 FCEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001170871385 850668867 /nfs/dbraw/zinc/66/88/67/850668867.db2.gz PIINTSAKJDNUQH-IXDOHACOSA-N 2 1 350.507 0.731 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434905 853933073 /nfs/dbraw/zinc/93/30/73/853933073.db2.gz IHJLVVAUXDCJFJ-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208434905 853933077 /nfs/dbraw/zinc/93/30/77/853933077.db2.gz IHJLVVAUXDCJFJ-HZPDHXFCSA-N 2 1 351.495 0.527 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@H](C)O)C[C@H]2OC)CC1 ZINC001213914785 854822037 /nfs/dbraw/zinc/82/20/37/854822037.db2.gz WTOQUIFJCSWEGB-CGTJXYLNSA-N 2 1 351.491 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@H]2OC)CC1 ZINC001213919906 854824898 /nfs/dbraw/zinc/82/48/98/854824898.db2.gz HBEKVCCZOOHOTM-QZTJIDSGSA-N 2 1 351.491 0.572 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001214855844 855022964 /nfs/dbraw/zinc/02/29/64/855022964.db2.gz PGUATALZNLTYDY-IXDOHACOSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001215774388 855144964 /nfs/dbraw/zinc/14/49/64/855144964.db2.gz NVGDGIUISHGHMV-BRWVUGGUSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216229767 855181583 /nfs/dbraw/zinc/18/15/83/855181583.db2.gz PGIAHSFXJALIEL-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789396 855478907 /nfs/dbraw/zinc/47/89/07/855478907.db2.gz JMURSBKMSFALEU-OKZBNKHCSA-N 2 1 351.491 0.975 20 30 FCEDMP C=CCC[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCOCC3)[C@H]2C1 ZINC001218789396 855478912 /nfs/dbraw/zinc/47/89/12/855478912.db2.gz JMURSBKMSFALEU-OKZBNKHCSA-N 2 1 351.491 0.975 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCCC)C[C@@H]2O)CC1 ZINC001221079048 856451780 /nfs/dbraw/zinc/45/17/80/856451780.db2.gz FNDWEYXOLJQGMF-MSOLQXFVSA-N 2 1 351.491 0.310 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@@H+](C)CC)[C@@H]2C1 ZINC001221654645 856640490 /nfs/dbraw/zinc/64/04/90/856640490.db2.gz QQKMFEBPESNTNB-ARFHVFGLSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C(C)(C)[N@H+](C)CC)[C@@H]2C1 ZINC001221654645 856640496 /nfs/dbraw/zinc/64/04/96/856640496.db2.gz QQKMFEBPESNTNB-ARFHVFGLSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221654645 856640504 /nfs/dbraw/zinc/64/05/04/856640504.db2.gz QQKMFEBPESNTNB-ARFHVFGLSA-N 2 1 350.507 0.940 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+](C)CC)[C@@H]2C1 ZINC001221654645 856640512 /nfs/dbraw/zinc/64/05/12/856640512.db2.gz QQKMFEBPESNTNB-ARFHVFGLSA-N 2 1 350.507 0.940 20 30 FCEDMP C#CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(=O)N(C)C)CC2)CC1 ZINC001251842290 857759726 /nfs/dbraw/zinc/75/97/26/857759726.db2.gz AQGQHEJMKSPNMH-SFHVURJKSA-N 2 1 351.491 0.262 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573285865 946789499 /nfs/dbraw/zinc/78/94/99/946789499.db2.gz PRTKCZVNUUUYAN-KRWDZBQOSA-N 2 1 367.457 0.512 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001573285865 946789502 /nfs/dbraw/zinc/78/95/02/946789502.db2.gz PRTKCZVNUUUYAN-KRWDZBQOSA-N 2 1 367.457 0.512 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573286042 946793968 /nfs/dbraw/zinc/79/39/68/946793968.db2.gz SFVMLKXOGJQHSM-YOEHRIQHSA-N 2 1 367.457 0.559 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573286042 946793974 /nfs/dbraw/zinc/79/39/74/946793974.db2.gz SFVMLKXOGJQHSM-YOEHRIQHSA-N 2 1 367.457 0.559 20 30 FCEDMP C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]([NH3+])CCCC#N)c2)CC1 ZINC000424151620 247173250 /nfs/dbraw/zinc/17/32/50/247173250.db2.gz ICVYKQIUHVBRCD-QGZVFWFLSA-N 2 1 357.458 0.963 20 30 FCEDMP COc1ccc(CNC(=[NH2+])NCCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000264068371 533551616 /nfs/dbraw/zinc/55/16/16/533551616.db2.gz CFVIUSPEHSTHAW-UHFFFAOYSA-N 2 1 363.462 0.272 20 30 FCEDMP [NH2+]=C(NC[C@H]1CN2CCN1CC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262765513 229311826 /nfs/dbraw/zinc/31/18/26/229311826.db2.gz HDLRDKAVXVZWEU-IBGZPJMESA-N 2 1 356.518 0.555 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(N2CCOCC2)nc1 ZINC000264122982 229322870 /nfs/dbraw/zinc/32/28/70/229322870.db2.gz RLAHFIMTJFPCGK-UHFFFAOYSA-N 2 1 362.478 0.045 20 30 FCEDMP [NH2+]=C(NCCCC(=O)N1CCc2ccccc21)NCCC[NH+]1CCOCC1 ZINC000267477472 229380933 /nfs/dbraw/zinc/38/09/33/229380933.db2.gz ZOVGDWBUSQFRLG-UHFFFAOYSA-N 2 1 373.501 0.983 20 30 FCEDMP CCNS(=O)(=O)c1ccc(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000268585719 488433714 /nfs/dbraw/zinc/43/37/14/488433714.db2.gz LPBKGMMJBACBSY-HNNXBMFYSA-N 2 1 367.519 0.873 20 30 FCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NC1CCN(CC(=O)N(C)C)CC1 ZINC000329816395 489039064 /nfs/dbraw/zinc/03/90/64/489039064.db2.gz VWSLRNSXEXEZDB-CZUORRHYSA-N 2 1 351.495 0.525 20 30 FCEDMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000329816395 489039067 /nfs/dbraw/zinc/03/90/67/489039067.db2.gz VWSLRNSXEXEZDB-CZUORRHYSA-N 2 1 351.495 0.525 20 30 FCEDMP C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329896528 489046293 /nfs/dbraw/zinc/04/62/93/489046293.db2.gz COGRPOKTMIMMLH-INIZCTEOSA-N 2 1 352.479 0.750 20 30 FCEDMP NC(=O)CC[C@H]1CCC[N@@H+](CC#CC[NH+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000429688189 489697070 /nfs/dbraw/zinc/69/70/70/489697070.db2.gz WGJYMMWBUCZOFR-HDICACEKSA-N 2 1 362.518 0.945 20 30 FCEDMP NC(=O)CC[C@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000429688189 489697074 /nfs/dbraw/zinc/69/70/74/489697074.db2.gz WGJYMMWBUCZOFR-HDICACEKSA-N 2 1 362.518 0.945 20 30 FCEDMP NC(=O)CC[C@H]1CCC[NH+](CC#CC[N@H+]2CCC[C@@H](CCC(N)=O)C2)C1 ZINC000429688189 489697076 /nfs/dbraw/zinc/69/70/76/489697076.db2.gz WGJYMMWBUCZOFR-HDICACEKSA-N 2 1 362.518 0.945 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423034281 490526293 /nfs/dbraw/zinc/52/62/93/490526293.db2.gz HPGXQPOWZTXRON-QGZVFWFLSA-N 2 1 355.442 0.152 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423034281 490526298 /nfs/dbraw/zinc/52/62/98/490526298.db2.gz HPGXQPOWZTXRON-QGZVFWFLSA-N 2 1 355.442 0.152 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423040185 490527325 /nfs/dbraw/zinc/52/73/25/490527325.db2.gz SLCBYINVUYZZJR-GOSISDBHSA-N 2 1 369.469 0.542 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423040185 490527329 /nfs/dbraw/zinc/52/73/29/490527329.db2.gz SLCBYINVUYZZJR-GOSISDBHSA-N 2 1 369.469 0.542 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512571458 490689153 /nfs/dbraw/zinc/68/91/53/490689153.db2.gz DETFFKBRBURLCS-UHFFFAOYSA-N 2 1 367.538 0.326 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C#N)n1 ZINC000567047502 491482495 /nfs/dbraw/zinc/48/24/95/491482495.db2.gz FSZQTVMGCLLOBF-INIZCTEOSA-N 2 1 372.473 0.766 20 30 FCEDMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000569474864 491664761 /nfs/dbraw/zinc/66/47/61/491664761.db2.gz TYYBLHGDIGNDHD-MJGOQNOKSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000569474864 491664764 /nfs/dbraw/zinc/66/47/64/491664764.db2.gz TYYBLHGDIGNDHD-MJGOQNOKSA-N 2 1 374.485 0.830 20 30 FCEDMP CN(CCC#N)C[C@H](O)C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000591241657 491800104 /nfs/dbraw/zinc/80/01/04/491800104.db2.gz VBNHCHUVICOGDR-IAGOWNOFSA-N 2 1 365.547 0.833 20 30 FCEDMP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000595989219 491969419 /nfs/dbraw/zinc/96/94/19/491969419.db2.gz RBHMEIITVHFTHJ-UHFFFAOYSA-N 2 1 357.458 0.400 20 30 FCEDMP CN(CCC[NH3+])C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000595989219 491969421 /nfs/dbraw/zinc/96/94/21/491969421.db2.gz RBHMEIITVHFTHJ-UHFFFAOYSA-N 2 1 357.458 0.400 20 30 FCEDMP CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261638772 528805596 /nfs/dbraw/zinc/80/55/96/528805596.db2.gz KOARIEJWISUZSD-OAHLLOKOSA-N 2 1 371.551 0.450 20 30 FCEDMP CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261638772 528805602 /nfs/dbraw/zinc/80/56/02/528805602.db2.gz KOARIEJWISUZSD-OAHLLOKOSA-N 2 1 371.551 0.450 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(OCCO)c(OC)c1 ZINC000264066398 529073414 /nfs/dbraw/zinc/07/34/14/529073414.db2.gz BKXXXIWWEXOSSP-OAHLLOKOSA-N 2 1 350.463 0.955 20 30 FCEDMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419981467 535066548 /nfs/dbraw/zinc/06/65/48/535066548.db2.gz SELKVBKTWQXFBI-GOSISDBHSA-N 2 1 371.485 0.692 20 30 FCEDMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419981467 535066556 /nfs/dbraw/zinc/06/65/56/535066556.db2.gz SELKVBKTWQXFBI-GOSISDBHSA-N 2 1 371.485 0.692 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC)C2)CC1 ZINC000553733393 547303046 /nfs/dbraw/zinc/30/30/46/547303046.db2.gz PHWYSYCVNBEWPP-MRXNPFEDSA-N 2 1 350.507 0.943 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1c[nH+]cc1C)C2 ZINC001112470894 1167774496 /nfs/dbraw/zinc/77/44/96/1167774496.db2.gz WOZORYQQSVVKNX-LPHOPBHVSA-N 2 1 359.474 0.712 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001104362767 1170483304 /nfs/dbraw/zinc/48/33/04/1170483304.db2.gz IUASLNKICROMAA-BRWVUGGUSA-N 2 1 364.534 0.929 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](C[C@H](CC)OC)C[C@@H]32)CC1 ZINC001083283810 1182502392 /nfs/dbraw/zinc/50/23/92/1182502392.db2.gz VBWSGNAOTHFUAK-GBESFXJTSA-N 2 1 363.502 0.668 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCn4cccn4)C[C@@H]32)CC1 ZINC001083283799 1182502878 /nfs/dbraw/zinc/50/28/78/1182502878.db2.gz USLSZNYFFOODIG-RBUKOAKNSA-N 2 1 371.485 0.140 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCn4cccn4)C[C@@H]32)CC1 ZINC001083283799 1182502884 /nfs/dbraw/zinc/50/28/84/1182502884.db2.gz USLSZNYFFOODIG-RBUKOAKNSA-N 2 1 371.485 0.140 20 30 FCEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001105067052 1183101281 /nfs/dbraw/zinc/10/12/81/1183101281.db2.gz LDCCSAKEBIZXON-ZACQAIPSSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001112529674 1186085882 /nfs/dbraw/zinc/08/58/82/1186085882.db2.gz JVUHAIYBBUUVEY-ZWOKBUDYSA-N 2 1 360.502 0.438 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1c1ccccc1 ZINC001211713176 1186697064 /nfs/dbraw/zinc/69/70/64/1186697064.db2.gz AHAMRMZPSXJNRP-RBUKOAKNSA-N 2 1 370.497 0.662 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCn3cncn3)[C@@H]2CC)CC1 ZINC001087840473 1189847778 /nfs/dbraw/zinc/84/77/78/1189847778.db2.gz ZDQVNBQCBQUAEX-ZWKOTPCHSA-N 2 1 358.490 0.592 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](Cc3cnnn3C)[C@@H]2CC)CC1 ZINC001087840147 1189847907 /nfs/dbraw/zinc/84/79/07/1189847907.db2.gz JWJKBUUULPTHQM-ZWKOTPCHSA-N 2 1 358.490 0.629 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3cnnn3C)[C@@H]2CC)CC1 ZINC001087840147 1189847908 /nfs/dbraw/zinc/84/79/08/1189847908.db2.gz JWJKBUUULPTHQM-ZWKOTPCHSA-N 2 1 358.490 0.629 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ccnn3C)CC[C@@H]2C1 ZINC001087998200 1190174246 /nfs/dbraw/zinc/17/42/46/1190174246.db2.gz WRQIMDVFLNUDQA-AOIWGVFYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccnn3C)CC[C@@H]2C1 ZINC001087998200 1190174249 /nfs/dbraw/zinc/17/42/49/1190174249.db2.gz WRQIMDVFLNUDQA-AOIWGVFYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccnn3C)CC[C@@H]2C1 ZINC001087998200 1190174254 /nfs/dbraw/zinc/17/42/54/1190174254.db2.gz WRQIMDVFLNUDQA-AOIWGVFYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccnn3C)CC[C@@H]2C1 ZINC001087998200 1190174258 /nfs/dbraw/zinc/17/42/58/1190174258.db2.gz WRQIMDVFLNUDQA-AOIWGVFYSA-N 2 1 355.486 0.798 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2CC[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]3C2)C1=O ZINC001691585254 1193741157 /nfs/dbraw/zinc/74/11/57/1193741157.db2.gz UNUHIQXKSDIDNA-SQNIBIBYSA-N 2 1 362.518 0.894 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@@H]3C2)C1=O ZINC001691585254 1193741160 /nfs/dbraw/zinc/74/11/60/1193741160.db2.gz UNUHIQXKSDIDNA-SQNIBIBYSA-N 2 1 362.518 0.894 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@@H]3C2)C1=O ZINC001691585254 1193741163 /nfs/dbraw/zinc/74/11/63/1193741163.db2.gz UNUHIQXKSDIDNA-SQNIBIBYSA-N 2 1 362.518 0.894 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCCOCC)C[C@@H]32)CC1 ZINC001219050486 1224319442 /nfs/dbraw/zinc/31/94/42/1224319442.db2.gz FPJJLMVQJRNUPS-RBUKOAKNSA-N 2 1 363.502 0.670 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCc3ccnn3C)[C@@H]2C)CC1 ZINC001089059299 1196879046 /nfs/dbraw/zinc/87/90/46/1196879046.db2.gz HOYQGIYDUPOPGO-APWZRJJASA-N 2 1 357.502 0.887 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCN3CCCC3=O)[C@@H]2C)CC1 ZINC001089059479 1196879179 /nfs/dbraw/zinc/87/91/79/1196879179.db2.gz NVTHVBBPBGALQF-AEFFLSMTSA-N 2 1 360.502 0.533 20 30 FCEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106250040 1197783553 /nfs/dbraw/zinc/78/35/53/1197783553.db2.gz WTIDCILKTDSKAF-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1 ZINC001106266701 1197807799 /nfs/dbraw/zinc/80/77/99/1197807799.db2.gz YKZKJIPKUFEMBI-KURKYZTESA-N 2 1 362.518 0.635 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)N(C)C(C)C)[C@H](C)C1 ZINC001106266701 1197807802 /nfs/dbraw/zinc/80/78/02/1197807802.db2.gz YKZKJIPKUFEMBI-KURKYZTESA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C[C@H]1C ZINC001106571367 1198014401 /nfs/dbraw/zinc/01/44/01/1198014401.db2.gz WXJMTPJAGSWSTI-KZNAEPCWSA-N 2 1 362.518 0.542 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729064 1200489654 /nfs/dbraw/zinc/48/96/54/1200489654.db2.gz RXEJIDYQDDNFCX-NCOADZHNSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109729064 1200489660 /nfs/dbraw/zinc/48/96/60/1200489660.db2.gz RXEJIDYQDDNFCX-NCOADZHNSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109729064 1200489666 /nfs/dbraw/zinc/48/96/66/1200489666.db2.gz RXEJIDYQDDNFCX-NCOADZHNSA-N 2 1 362.518 0.824 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001109729064 1200489673 /nfs/dbraw/zinc/48/96/73/1200489673.db2.gz RXEJIDYQDDNFCX-NCOADZHNSA-N 2 1 362.518 0.824 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)C[C@@H]1n1ccnn1 ZINC001129892053 1201415433 /nfs/dbraw/zinc/41/54/33/1201415433.db2.gz FEUDJEBXRLSZPK-KURKYZTESA-N 2 1 358.490 0.906 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129910462 1201423214 /nfs/dbraw/zinc/42/32/14/1201423214.db2.gz UQILBKPNTFXISF-ZACQAIPSSA-N 2 1 362.478 0.307 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC=C)[C@@H](n2ccnn2)C1 ZINC001129898343 1201432387 /nfs/dbraw/zinc/43/23/87/1201432387.db2.gz QSKAXRBKOIWSME-SQNIBIBYSA-N 2 1 356.474 0.683 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC=C)[C@@H](n2ccnn2)C1 ZINC001129898343 1201432390 /nfs/dbraw/zinc/43/23/90/1201432390.db2.gz QSKAXRBKOIWSME-SQNIBIBYSA-N 2 1 356.474 0.683 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153221 1201517864 /nfs/dbraw/zinc/51/78/64/1201517864.db2.gz DIECTDRRDRWVKG-MSOLQXFVSA-N 2 1 352.442 0.385 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1n1ccnn1 ZINC001130153221 1201517867 /nfs/dbraw/zinc/51/78/67/1201517867.db2.gz DIECTDRRDRWVKG-MSOLQXFVSA-N 2 1 352.442 0.385 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[C@H]2CC[N@H+](C)C2)[nH]1 ZINC001130247220 1201567499 /nfs/dbraw/zinc/56/74/99/1201567499.db2.gz ZALWMDRVGDPPII-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n1 ZINC001130247220 1201567502 /nfs/dbraw/zinc/56/75/02/1201567502.db2.gz ZALWMDRVGDPPII-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[C@H]2CC[N@H+](C)C2)n1 ZINC001130247220 1201567504 /nfs/dbraw/zinc/56/75/04/1201567504.db2.gz ZALWMDRVGDPPII-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001130247220 1201567507 /nfs/dbraw/zinc/56/75/07/1201567507.db2.gz ZALWMDRVGDPPII-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001130247220 1201567509 /nfs/dbraw/zinc/56/75/09/1201567509.db2.gz ZALWMDRVGDPPII-ILXRZTDVSA-N 2 1 362.478 0.411 20 30 FCEDMP C#CCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)CCC[NH+](C)C)n[nH]2)O1 ZINC001130805139 1202800865 /nfs/dbraw/zinc/80/08/65/1202800865.db2.gz URWUKERPRUCUEP-LSDHHAIUSA-N 2 1 362.478 0.596 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C3(C[NH+](C)C)CC3)n[nH]2)O1 ZINC001130802302 1202803362 /nfs/dbraw/zinc/80/33/62/1202803362.db2.gz NAZNJFSPVGBDKY-UONOGXRCSA-N 2 1 360.462 0.206 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131010347 1202844297 /nfs/dbraw/zinc/84/42/97/1202844297.db2.gz KEJKKGBWUOSGDL-ZACQAIPSSA-N 2 1 359.474 0.048 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCOC)C1 ZINC001131010347 1202844298 /nfs/dbraw/zinc/84/42/98/1202844298.db2.gz KEJKKGBWUOSGDL-ZACQAIPSSA-N 2 1 359.474 0.048 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cncn1C ZINC001131089629 1202860983 /nfs/dbraw/zinc/86/09/83/1202860983.db2.gz QWMWIRKRCOAGBE-IAGOWNOFSA-N 2 1 359.474 0.050 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001131464455 1202900025 /nfs/dbraw/zinc/90/00/25/1202900025.db2.gz RVIQOJFZBBAZPM-QRVBRYPASA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001086721009 1203020440 /nfs/dbraw/zinc/02/04/40/1203020440.db2.gz AJVGPGREAKNGPX-JZXOWHBKSA-N 2 1 358.490 0.770 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC001086721009 1203020443 /nfs/dbraw/zinc/02/04/43/1203020443.db2.gz AJVGPGREAKNGPX-JZXOWHBKSA-N 2 1 358.490 0.770 20 30 FCEDMP C=C(C)C(=O)OCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220124602 1224778407 /nfs/dbraw/zinc/77/84/07/1224778407.db2.gz DMOHWMZRLZMNSK-QGZVFWFLSA-N 2 1 357.454 0.944 20 30 FCEDMP C=C(C)C(=O)OCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220124602 1224778413 /nfs/dbraw/zinc/77/84/13/1224778413.db2.gz DMOHWMZRLZMNSK-QGZVFWFLSA-N 2 1 357.454 0.944 20 30 FCEDMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2CN(Cc3cncc(C#N)c3)CC[C@@H]2C1 ZINC001144080143 1204416767 /nfs/dbraw/zinc/41/67/67/1204416767.db2.gz CSQCIVBIGKMQRA-QZTJIDSGSA-N 2 1 357.458 0.564 20 30 FCEDMP CN(C)C(=O)CN1CCO[C@@H]2CN(Cc3cncc(C#N)c3)CC[C@@H]2C1 ZINC001144080143 1204416775 /nfs/dbraw/zinc/41/67/75/1204416775.db2.gz CSQCIVBIGKMQRA-QZTJIDSGSA-N 2 1 357.458 0.564 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001147591058 1204801086 /nfs/dbraw/zinc/80/10/86/1204801086.db2.gz VKNZBYPNHYCXRF-IXDOHACOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147591058 1204801087 /nfs/dbraw/zinc/80/10/87/1204801087.db2.gz VKNZBYPNHYCXRF-IXDOHACOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147591058 1204801088 /nfs/dbraw/zinc/80/10/88/1204801088.db2.gz VKNZBYPNHYCXRF-IXDOHACOSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)C[C@H]1c1cnn(C)c1 ZINC001086997085 1204887756 /nfs/dbraw/zinc/88/77/56/1204887756.db2.gz KARHZXDEWZZFJD-AYOQOUSVSA-N 2 1 366.469 0.705 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092278190 1205224538 /nfs/dbraw/zinc/22/45/38/1205224538.db2.gz JGYHAWFIJHTYAA-UWVAXJGDSA-N 2 1 371.485 0.759 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)Cn4cc[nH+]c4C)C[C@]3(C)C2)C1=O ZINC001092278190 1205224545 /nfs/dbraw/zinc/22/45/45/1205224545.db2.gz JGYHAWFIJHTYAA-UWVAXJGDSA-N 2 1 371.485 0.759 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001092690065 1205348592 /nfs/dbraw/zinc/34/85/92/1205348592.db2.gz ZFGQORULLZXLMY-QRQLOZEOSA-N 2 1 370.497 0.667 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001092690065 1205348593 /nfs/dbraw/zinc/34/85/93/1205348593.db2.gz ZFGQORULLZXLMY-QRQLOZEOSA-N 2 1 370.497 0.667 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001092690065 1205348594 /nfs/dbraw/zinc/34/85/94/1205348594.db2.gz ZFGQORULLZXLMY-QRQLOZEOSA-N 2 1 370.497 0.667 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccn(C)c(=O)c2)C[C@H]1C ZINC001092690065 1205348595 /nfs/dbraw/zinc/34/85/95/1205348595.db2.gz ZFGQORULLZXLMY-QRQLOZEOSA-N 2 1 370.497 0.667 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC001093830453 1206126089 /nfs/dbraw/zinc/12/60/89/1206126089.db2.gz ADFWNEFVLBUFTQ-QRQLOZEOSA-N 2 1 370.497 0.667 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]Cc2ccn(C)c(=O)c2)[C@H](C)C1 ZINC001093830453 1206126092 /nfs/dbraw/zinc/12/60/92/1206126092.db2.gz ADFWNEFVLBUFTQ-QRQLOZEOSA-N 2 1 370.497 0.667 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001110151905 1206170508 /nfs/dbraw/zinc/17/05/08/1206170508.db2.gz DGGDIODBDFWYNO-NQYYFHDYSA-N 2 1 370.497 0.191 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](CC#C)CC1)C2 ZINC001110151905 1206170513 /nfs/dbraw/zinc/17/05/13/1206170513.db2.gz DGGDIODBDFWYNO-NQYYFHDYSA-N 2 1 370.497 0.191 20 30 FCEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220576666 1224943143 /nfs/dbraw/zinc/94/31/43/1224943143.db2.gz KQLWPCJQQGSMDI-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1O ZINC001220576666 1224943159 /nfs/dbraw/zinc/94/31/59/1224943159.db2.gz KQLWPCJQQGSMDI-MSOLQXFVSA-N 2 1 360.458 0.592 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187952267 1207405752 /nfs/dbraw/zinc/40/57/52/1207405752.db2.gz YOMLVKRKIYMWCE-FUHWJXTLSA-N 2 1 359.474 0.241 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC001187952267 1207405757 /nfs/dbraw/zinc/40/57/57/1207405757.db2.gz YOMLVKRKIYMWCE-FUHWJXTLSA-N 2 1 359.474 0.241 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188689703 1207473002 /nfs/dbraw/zinc/47/30/02/1207473002.db2.gz AOKXNVCJVRQDJH-DLBZAZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC3([NH+](C)C)CCCC3)[C@@H]2C1 ZINC001188689703 1207473003 /nfs/dbraw/zinc/47/30/03/1207473003.db2.gz AOKXNVCJVRQDJH-DLBZAZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167668 1207520424 /nfs/dbraw/zinc/52/04/24/1207520424.db2.gz ZLVNCZOYBQXVOI-YESZJQIVSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167668 1207520431 /nfs/dbraw/zinc/52/04/31/1207520431.db2.gz ZLVNCZOYBQXVOI-YESZJQIVSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167668 1207520440 /nfs/dbraw/zinc/52/04/40/1207520440.db2.gz ZLVNCZOYBQXVOI-YESZJQIVSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001189167668 1207520450 /nfs/dbraw/zinc/52/04/50/1207520450.db2.gz ZLVNCZOYBQXVOI-YESZJQIVSA-N 2 1 362.518 0.635 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612297 1207578437 /nfs/dbraw/zinc/57/84/37/1207578437.db2.gz OQEIEALMKSCSST-ZWKOTPCHSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC001189612297 1207578442 /nfs/dbraw/zinc/57/84/42/1207578442.db2.gz OQEIEALMKSCSST-ZWKOTPCHSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148261 1207648344 /nfs/dbraw/zinc/64/83/44/1207648344.db2.gz DYVLVJWSURWRSW-RCCFBDPRSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148261 1207648352 /nfs/dbraw/zinc/64/83/52/1207648352.db2.gz DYVLVJWSURWRSW-RCCFBDPRSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148261 1207648356 /nfs/dbraw/zinc/64/83/56/1207648356.db2.gz DYVLVJWSURWRSW-RCCFBDPRSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148261 1207648362 /nfs/dbraw/zinc/64/83/62/1207648362.db2.gz DYVLVJWSURWRSW-RCCFBDPRSA-N 2 1 360.502 0.671 20 30 FCEDMP N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213023 1207665952 /nfs/dbraw/zinc/66/59/52/1207665952.db2.gz RRZYAUMRNPVBQB-DLBZAZTESA-N 2 1 361.490 0.425 20 30 FCEDMP N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001190213023 1207665954 /nfs/dbraw/zinc/66/59/54/1207665954.db2.gz RRZYAUMRNPVBQB-DLBZAZTESA-N 2 1 361.490 0.425 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190319191 1207674891 /nfs/dbraw/zinc/67/48/91/1207674891.db2.gz YNVYDMBDBUDEDE-FGTMMUONSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001190319191 1207674895 /nfs/dbraw/zinc/67/48/95/1207674895.db2.gz YNVYDMBDBUDEDE-FGTMMUONSA-N 2 1 360.502 0.533 20 30 FCEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001193057263 1207857948 /nfs/dbraw/zinc/85/79/48/1207857948.db2.gz MFZDHMYWVAFTOE-MKXGPGLRSA-N 2 1 365.518 0.861 20 30 FCEDMP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O)[NH+](C)C ZINC001196208055 1208065888 /nfs/dbraw/zinc/06/58/88/1208065888.db2.gz XVOZIZYUZVLYIY-FGTMMUONSA-N 2 1 360.458 0.590 20 30 FCEDMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1O)[NH+](C)C ZINC001196208055 1208065891 /nfs/dbraw/zinc/06/58/91/1208065891.db2.gz XVOZIZYUZVLYIY-FGTMMUONSA-N 2 1 360.458 0.590 20 30 FCEDMP CC(C)C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3CC(=O)NCC#N)C1 ZINC001110658391 1209576501 /nfs/dbraw/zinc/57/65/01/1209576501.db2.gz URGWQDBBGRUHJA-HZMVEIRTSA-N 2 1 361.490 0.326 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959570 1211615315 /nfs/dbraw/zinc/61/53/15/1211615315.db2.gz RFDPRDGTZYLHMC-ZACQAIPSSA-N 2 1 363.506 0.812 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC[NH+](C)C)C2 ZINC001110959570 1211615317 /nfs/dbraw/zinc/61/53/17/1211615317.db2.gz RFDPRDGTZYLHMC-ZACQAIPSSA-N 2 1 363.506 0.812 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111124247 1211892050 /nfs/dbraw/zinc/89/20/50/1211892050.db2.gz WKANOQRYZCHSDA-KURKYZTESA-N 2 1 361.490 0.982 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000965937156 1215148068 /nfs/dbraw/zinc/14/80/68/1215148068.db2.gz QILNIURCAQTURE-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000965937156 1215148071 /nfs/dbraw/zinc/14/80/71/1215148071.db2.gz QILNIURCAQTURE-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000965937156 1215148073 /nfs/dbraw/zinc/14/80/73/1215148073.db2.gz QILNIURCAQTURE-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000965937156 1215148076 /nfs/dbraw/zinc/14/80/76/1215148076.db2.gz QILNIURCAQTURE-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCOCCOC)[C@H]2C1 ZINC001222913080 1225665511 /nfs/dbraw/zinc/66/55/11/1225665511.db2.gz HXSQXXKOVLTJNP-QYZOEREBSA-N 2 1 363.502 0.670 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCOCCOC)[C@H]2C1 ZINC001222913080 1225665513 /nfs/dbraw/zinc/66/55/13/1225665513.db2.gz HXSQXXKOVLTJNP-QYZOEREBSA-N 2 1 363.502 0.670 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCOC)[C@H]2C1 ZINC001222913080 1225665519 /nfs/dbraw/zinc/66/55/19/1225665519.db2.gz HXSQXXKOVLTJNP-QYZOEREBSA-N 2 1 363.502 0.670 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCOCCOC)[C@H]2C1 ZINC001222913080 1225665522 /nfs/dbraw/zinc/66/55/22/1225665522.db2.gz HXSQXXKOVLTJNP-QYZOEREBSA-N 2 1 363.502 0.670 20 30 FCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006317 1216893836 /nfs/dbraw/zinc/89/38/36/1216893836.db2.gz PPIUONQSGJVDJG-IKGGRYGDSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006317 1216893837 /nfs/dbraw/zinc/89/38/37/1216893837.db2.gz PPIUONQSGJVDJG-IKGGRYGDSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006317 1216893840 /nfs/dbraw/zinc/89/38/40/1216893840.db2.gz PPIUONQSGJVDJG-IKGGRYGDSA-N 2 1 362.478 0.305 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006317 1216893841 /nfs/dbraw/zinc/89/38/41/1216893841.db2.gz PPIUONQSGJVDJG-IKGGRYGDSA-N 2 1 362.478 0.305 20 30 FCEDMP C#CCNC(=O)CN1CC[C@@H]2CCN(C(=O)CCc3cncn3C)C[C@@H]21 ZINC001224037730 1225753370 /nfs/dbraw/zinc/75/33/70/1225753370.db2.gz YIZLPVCJORDBOG-WBVHZDCISA-N 2 1 357.458 0.025 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](CC#CCOC)[C@H]3C2)CC1 ZINC001224228169 1225766922 /nfs/dbraw/zinc/76/69/22/1225766922.db2.gz VUVASIYMTIGCJM-QUCCMNQESA-N 2 1 357.498 0.904 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)NCC=C)CC1 ZINC001111456628 1218879585 /nfs/dbraw/zinc/87/95/85/1218879585.db2.gz NARNKEXTGPDHCZ-OWYHZJEWSA-N 2 1 372.513 0.744 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)NCC=C)CC1 ZINC001111456628 1218879587 /nfs/dbraw/zinc/87/95/87/1218879587.db2.gz NARNKEXTGPDHCZ-OWYHZJEWSA-N 2 1 372.513 0.744 20 30 FCEDMP C#CCCCC(=O)NCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001055567657 1219081565 /nfs/dbraw/zinc/08/15/65/1219081565.db2.gz KBUCDPIIXIALHY-SJLPKXTDSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC=C(C)C)C[C@@H]2n2ccnn2)CC1 ZINC001070102334 1219177720 /nfs/dbraw/zinc/17/77/20/1219177720.db2.gz DGTPNDVVUFMZFS-MOPGFXCFSA-N 2 1 370.501 0.931 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2n2ccnn2)CC1 ZINC001070102819 1219178842 /nfs/dbraw/zinc/17/88/42/1219178842.db2.gz XZHXWVDFUYJBJJ-SJORKVTESA-N 2 1 362.453 0.324 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+]3CCCC3)on2)C[C@@H]1n1ccnn1 ZINC001070275625 1219342815 /nfs/dbraw/zinc/34/28/15/1219342815.db2.gz WRSRUHVJKHUWLK-SJORKVTESA-N 2 1 369.429 0.150 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001070367280 1219399588 /nfs/dbraw/zinc/39/95/88/1219399588.db2.gz NMOQTKJJLBTKCJ-AOIWGVFYSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001070382933 1219407751 /nfs/dbraw/zinc/40/77/51/1219407751.db2.gz ZSGKSNZSFOBUJS-XLIONFOSSA-N 2 1 371.485 0.690 20 30 FCEDMP CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001228136824 1225896460 /nfs/dbraw/zinc/89/64/60/1225896460.db2.gz BYGUWZSYMRXJAR-BRWVUGGUSA-N 2 1 363.506 0.765 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1c1cncn1C ZINC001070670579 1219517140 /nfs/dbraw/zinc/51/71/40/1219517140.db2.gz ZMOQMWCQANNZIZ-ZORLRNLNSA-N 2 1 371.485 0.353 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001098462695 1219787376 /nfs/dbraw/zinc/78/73/76/1219787376.db2.gz IVMKYZINYJGERI-ZJPYXAASSA-N 2 1 358.486 0.332 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCCNC2=O)CC1 ZINC001098462695 1219787379 /nfs/dbraw/zinc/78/73/79/1219787379.db2.gz IVMKYZINYJGERI-ZJPYXAASSA-N 2 1 358.486 0.332 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001228602058 1225935267 /nfs/dbraw/zinc/93/52/67/1225935267.db2.gz BDSPWHKMOWSHIG-KBAYOESNSA-N 2 1 371.485 0.520 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@]2(C)C1 ZINC001101267811 1220256025 /nfs/dbraw/zinc/25/60/25/1220256025.db2.gz UACQVOFLCRBINT-MDZRGWNJSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300373 1220276841 /nfs/dbraw/zinc/27/68/41/1220276841.db2.gz WATVWRSWEKLSJB-FCEWJHQRSA-N 2 1 357.458 0.110 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@]2(C)C1 ZINC001101300373 1220276846 /nfs/dbraw/zinc/27/68/46/1220276846.db2.gz WATVWRSWEKLSJB-FCEWJHQRSA-N 2 1 357.458 0.110 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@]2(C)C1 ZINC001101348718 1220296798 /nfs/dbraw/zinc/29/67/98/1220296798.db2.gz FXAYUAHALJTSPU-MDYRTPRTSA-N 2 1 360.502 0.246 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@]2(C)C1 ZINC001101431229 1220340093 /nfs/dbraw/zinc/34/00/93/1220340093.db2.gz GALINRIWVWAWJU-MDZRGWNJSA-N 2 1 360.502 0.553 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432770 1220342304 /nfs/dbraw/zinc/34/23/04/1220342304.db2.gz ZMMYWOFQCWOQAC-FCEWJHQRSA-N 2 1 366.506 0.036 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001101974888 1220450130 /nfs/dbraw/zinc/45/01/30/1220450130.db2.gz VKGRLMDAQJULSC-HZPDHXFCSA-N 2 1 363.506 0.575 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(C)(C)C)C[C@H]1C ZINC001102056038 1220480101 /nfs/dbraw/zinc/48/01/01/1220480101.db2.gz KIOJJZCEJIHWIG-ZACQAIPSSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(C)(C)C)C[C@H]1C ZINC001102056038 1220480103 /nfs/dbraw/zinc/48/01/03/1220480103.db2.gz KIOJJZCEJIHWIG-ZACQAIPSSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1C ZINC001102056038 1220480106 /nfs/dbraw/zinc/48/01/06/1220480106.db2.gz KIOJJZCEJIHWIG-ZACQAIPSSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(C)(C)C)C[C@H]1C ZINC001102056038 1220480109 /nfs/dbraw/zinc/48/01/09/1220480109.db2.gz KIOJJZCEJIHWIG-ZACQAIPSSA-N 2 1 362.518 0.683 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](C)C1 ZINC001102085829 1220491052 /nfs/dbraw/zinc/49/10/52/1220491052.db2.gz CXAJZNPPTLZXGW-QZTJIDSGSA-N 2 1 365.518 0.679 20 30 FCEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102114831 1220501811 /nfs/dbraw/zinc/50/18/11/1220501811.db2.gz FVHPISHGKHCXBE-BRWVUGGUSA-N 2 1 363.506 0.431 20 30 FCEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102114831 1220501818 /nfs/dbraw/zinc/50/18/18/1220501818.db2.gz FVHPISHGKHCXBE-BRWVUGGUSA-N 2 1 363.506 0.431 20 30 FCEDMP CC(C)C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102114831 1220501822 /nfs/dbraw/zinc/50/18/22/1220501822.db2.gz FVHPISHGKHCXBE-BRWVUGGUSA-N 2 1 363.506 0.431 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](C)C1 ZINC001102147863 1220524052 /nfs/dbraw/zinc/52/40/52/1220524052.db2.gz QEGKPVFBLADRIT-BFYDXBDKSA-N 2 1 367.453 0.770 20 30 FCEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102427201 1220620842 /nfs/dbraw/zinc/62/08/42/1220620842.db2.gz IJAOUKQSTUNGBK-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102427201 1220620845 /nfs/dbraw/zinc/62/08/45/1220620845.db2.gz IJAOUKQSTUNGBK-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102427201 1220620850 /nfs/dbraw/zinc/62/08/50/1220620850.db2.gz IJAOUKQSTUNGBK-BRWVUGGUSA-N 2 1 363.506 0.573 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H](C)C1 ZINC001102430382 1220621962 /nfs/dbraw/zinc/62/19/62/1220621962.db2.gz OJTVZQXQQSPZCN-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001102466391 1220636506 /nfs/dbraw/zinc/63/65/06/1220636506.db2.gz MPGHTYZZKWUGSJ-VQIMIIECSA-N 2 1 370.497 0.795 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600915 1220722931 /nfs/dbraw/zinc/72/29/31/1220722931.db2.gz BZFAYDBTQNBERM-IAGOWNOFSA-N 2 1 365.522 0.773 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600915 1220722945 /nfs/dbraw/zinc/72/29/45/1220722945.db2.gz BZFAYDBTQNBERM-IAGOWNOFSA-N 2 1 365.522 0.773 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001102600915 1220722952 /nfs/dbraw/zinc/72/29/52/1220722952.db2.gz BZFAYDBTQNBERM-IAGOWNOFSA-N 2 1 365.522 0.773 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)C12CCC[NH+]1CCC2 ZINC001103185767 1220847668 /nfs/dbraw/zinc/84/76/68/1220847668.db2.gz PFCUPPZTKTTYFO-HZPDHXFCSA-N 2 1 361.490 0.329 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185743 1221017518 /nfs/dbraw/zinc/01/75/18/1221017518.db2.gz MRPABWFSDLXTDM-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001111740578 1221084413 /nfs/dbraw/zinc/08/44/13/1221084413.db2.gz DXCPZTUFBYQILA-ZWOKBUDYSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001111740578 1221084415 /nfs/dbraw/zinc/08/44/15/1221084415.db2.gz DXCPZTUFBYQILA-ZWOKBUDYSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740578 1221084419 /nfs/dbraw/zinc/08/44/19/1221084419.db2.gz DXCPZTUFBYQILA-ZWOKBUDYSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001111740578 1221084425 /nfs/dbraw/zinc/08/44/25/1221084425.db2.gz DXCPZTUFBYQILA-ZWOKBUDYSA-N 2 1 360.502 0.579 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001111751291 1221089486 /nfs/dbraw/zinc/08/94/86/1221089486.db2.gz OXXCUEIAOKZEGL-ZWOKBUDYSA-N 2 1 360.502 0.601 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@H+](CC(=O)NCC#N)C3)CC1 ZINC001111891149 1221153353 /nfs/dbraw/zinc/15/33/53/1221153353.db2.gz HGRFGIFPKVTQFV-LPHOPBHVSA-N 2 1 361.490 0.329 20 30 FCEDMP C[NH+]1CCC(CC(=O)N[C@]23CCC[C@H]2C[N@@H+](CC(=O)NCC#N)C3)CC1 ZINC001111891149 1221153358 /nfs/dbraw/zinc/15/33/58/1221153358.db2.gz HGRFGIFPKVTQFV-LPHOPBHVSA-N 2 1 361.490 0.329 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001230347911 1226075997 /nfs/dbraw/zinc/07/59/97/1226075997.db2.gz LWDDQSJAZCLJCR-RTBURBONSA-N 2 1 370.497 0.885 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001230347911 1226076004 /nfs/dbraw/zinc/07/60/04/1226076004.db2.gz LWDDQSJAZCLJCR-RTBURBONSA-N 2 1 370.497 0.885 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000841911026 1222831899 /nfs/dbraw/zinc/83/18/99/1222831899.db2.gz WVRFGUWSVSYDBU-IAGOWNOFSA-N 2 1 363.506 0.231 20 30 FCEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001157973852 1223085475 /nfs/dbraw/zinc/08/54/75/1223085475.db2.gz UDOORFPKJVAAGM-FGTMMUONSA-N 2 1 362.518 0.779 20 30 FCEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001157973852 1223085479 /nfs/dbraw/zinc/08/54/79/1223085479.db2.gz UDOORFPKJVAAGM-FGTMMUONSA-N 2 1 362.518 0.779 20 30 FCEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973852 1223085485 /nfs/dbraw/zinc/08/54/85/1223085485.db2.gz UDOORFPKJVAAGM-FGTMMUONSA-N 2 1 362.518 0.779 20 30 FCEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001157973852 1223085489 /nfs/dbraw/zinc/08/54/89/1223085489.db2.gz UDOORFPKJVAAGM-FGTMMUONSA-N 2 1 362.518 0.779 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 ZINC001161253705 1223193086 /nfs/dbraw/zinc/19/30/86/1223193086.db2.gz XXIVYQKGIAMRAT-IAGOWNOFSA-N 2 1 369.469 0.411 20 30 FCEDMP C[NH+](C)CCN1C(=O)C[C@]2(CCC[N@@H+](Cc3ccc(C#N)cn3)C2)C1=O ZINC001276503867 1223407663 /nfs/dbraw/zinc/40/76/63/1223407663.db2.gz UKDKDKCRMATGQC-IBGZPJMESA-N 2 1 355.442 0.856 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207547107 1223454215 /nfs/dbraw/zinc/45/42/15/1223454215.db2.gz LLWAZEFERCVDPB-QGPMSJSTSA-N 2 1 363.506 0.525 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207547107 1223454218 /nfs/dbraw/zinc/45/42/18/1223454218.db2.gz LLWAZEFERCVDPB-QGPMSJSTSA-N 2 1 363.506 0.525 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682847 1223470532 /nfs/dbraw/zinc/47/05/32/1223470532.db2.gz WQWMMOCVIPMGBV-IXDOHACOSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001207682847 1223470536 /nfs/dbraw/zinc/47/05/36/1223470536.db2.gz WQWMMOCVIPMGBV-IXDOHACOSA-N 2 1 360.502 0.437 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210539217 1223696359 /nfs/dbraw/zinc/69/63/59/1223696359.db2.gz XOGHVFJJZLMDMM-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210539217 1223696364 /nfs/dbraw/zinc/69/63/64/1223696364.db2.gz XOGHVFJJZLMDMM-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210539217 1223696368 /nfs/dbraw/zinc/69/63/68/1223696368.db2.gz XOGHVFJJZLMDMM-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210539217 1223696372 /nfs/dbraw/zinc/69/63/72/1223696372.db2.gz XOGHVFJJZLMDMM-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728173 1223839533 /nfs/dbraw/zinc/83/95/33/1223839533.db2.gz CWKHLDFWSVOXFA-QZTJIDSGSA-N 2 1 360.458 0.452 20 30 FCEDMP CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1NC(=O)COCC[NH+](C)C ZINC001213728173 1223839535 /nfs/dbraw/zinc/83/95/35/1223839535.db2.gz CWKHLDFWSVOXFA-QZTJIDSGSA-N 2 1 360.458 0.452 20 30 FCEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N(CC)CCC#N)C1 ZINC001216490657 1224052978 /nfs/dbraw/zinc/05/29/78/1224052978.db2.gz IZNPCLGYJJIWFN-IAGOWNOFSA-N 2 1 365.522 0.917 20 30 FCEDMP CC(C)(C)OC(=O)N1CCN2C(NCC[NH+]3CCC(O)CC3)=[NH+]C[C@H]2C1 ZINC000849117180 1245392671 /nfs/dbraw/zinc/39/26/71/1245392671.db2.gz VHGDNZFPWZCHIX-AWEZNQCLSA-N 2 1 367.494 0.324 20 30 FCEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923280462 1245703327 /nfs/dbraw/zinc/70/33/27/1245703327.db2.gz AWJNOMGHAHISRL-MSOLQXFVSA-N 2 1 372.469 0.442 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000938173806 1245823688 /nfs/dbraw/zinc/82/36/88/1245823688.db2.gz XUVZKDRKOKIRMW-FJIDUMEYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC000938173806 1245823694 /nfs/dbraw/zinc/82/36/94/1245823694.db2.gz XUVZKDRKOKIRMW-FJIDUMEYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000938173806 1245823704 /nfs/dbraw/zinc/82/37/04/1245823704.db2.gz XUVZKDRKOKIRMW-FJIDUMEYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC000938173806 1245823712 /nfs/dbraw/zinc/82/37/12/1245823712.db2.gz XUVZKDRKOKIRMW-FJIDUMEYSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C2 ZINC000999150270 1252066328 /nfs/dbraw/zinc/06/63/28/1252066328.db2.gz YNSBKBIAOXRDIM-ICUGJSFKSA-N 2 1 358.486 0.426 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C2 ZINC000999150270 1252066341 /nfs/dbraw/zinc/06/63/41/1252066341.db2.gz YNSBKBIAOXRDIM-ICUGJSFKSA-N 2 1 358.486 0.426 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC000999150270 1252066349 /nfs/dbraw/zinc/06/63/49/1252066349.db2.gz YNSBKBIAOXRDIM-ICUGJSFKSA-N 2 1 358.486 0.426 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C)C2 ZINC000999150270 1252066358 /nfs/dbraw/zinc/06/63/58/1252066358.db2.gz YNSBKBIAOXRDIM-ICUGJSFKSA-N 2 1 358.486 0.426 20 30 FCEDMP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)nn2)C1 ZINC000999987502 1252259199 /nfs/dbraw/zinc/25/91/99/1252259199.db2.gz OTUISXMTIYGSGH-OKZBNKHCSA-N 2 1 358.490 0.895 20 30 FCEDMP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999987502 1252259213 /nfs/dbraw/zinc/25/92/13/1252259213.db2.gz OTUISXMTIYGSGH-OKZBNKHCSA-N 2 1 358.490 0.895 20 30 FCEDMP CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999987502 1252259224 /nfs/dbraw/zinc/25/92/24/1252259224.db2.gz OTUISXMTIYGSGH-OKZBNKHCSA-N 2 1 358.490 0.895 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)CC1 ZINC001001695243 1252306631 /nfs/dbraw/zinc/30/66/31/1252306631.db2.gz KUTUHTXVXPPNSR-AKHDSKFASA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]2C)CC1 ZINC001080998058 1256132840 /nfs/dbraw/zinc/13/28/40/1256132840.db2.gz QVVLUDBVCZVWGX-KBAYOESNSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+][C@@H](C)c3nnnn3C)C2)CC1 ZINC001082941487 1257159533 /nfs/dbraw/zinc/15/95/33/1257159533.db2.gz SJFIPSZMXUQMNI-IJEWVQPXSA-N 2 1 359.478 0.053 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)C1=O ZINC001088201264 1258723741 /nfs/dbraw/zinc/72/37/41/1258723741.db2.gz SQITULRHPRPXBI-FGTMMUONSA-N 2 1 360.502 0.649 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001106672463 1258938085 /nfs/dbraw/zinc/93/80/85/1258938085.db2.gz XEBFYZFKIUMPFB-BRWVUGGUSA-N 2 1 364.534 0.786 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C[C@H]1C ZINC001106728995 1258949251 /nfs/dbraw/zinc/94/92/51/1258949251.db2.gz CAJVHTZIRHHZPB-KZNAEPCWSA-N 2 1 362.518 0.683 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106840493 1258973590 /nfs/dbraw/zinc/97/35/90/1258973590.db2.gz PQMBJBZWZHJHCX-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CCC[C@@H]12 ZINC001107449259 1259091603 /nfs/dbraw/zinc/09/16/03/1259091603.db2.gz BUXIDTXQIKTCPK-SQGPQFPESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107449259 1259091606 /nfs/dbraw/zinc/09/16/06/1259091606.db2.gz BUXIDTXQIKTCPK-SQGPQFPESA-N 2 1 360.502 0.581 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3CCCC[NH+]3C)CCC[C@@H]12 ZINC001107449259 1259091612 /nfs/dbraw/zinc/09/16/12/1259091612.db2.gz BUXIDTXQIKTCPK-SQGPQFPESA-N 2 1 360.502 0.581 20 30 FCEDMP C[NH+](C)CC1(C(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)CC1 ZINC001107521184 1259107802 /nfs/dbraw/zinc/10/78/02/1259107802.db2.gz QOEJYOWXBWNMLV-CRAIPNDOSA-N 2 1 361.490 0.329 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCC[C@@H]12 ZINC001107609495 1259132329 /nfs/dbraw/zinc/13/23/29/1259132329.db2.gz VAWAITCZUIVLAY-SQGPQFPESA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609495 1259132334 /nfs/dbraw/zinc/13/23/34/1259132334.db2.gz VAWAITCZUIVLAY-SQGPQFPESA-N 2 1 362.518 0.991 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001107609495 1259132339 /nfs/dbraw/zinc/13/23/39/1259132339.db2.gz VAWAITCZUIVLAY-SQGPQFPESA-N 2 1 362.518 0.991 20 30 FCEDMP C[N@H+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC#N)CC3)C1 ZINC001107609451 1259132893 /nfs/dbraw/zinc/13/28/93/1259132893.db2.gz SWSGOPXEXIEPOF-GPMSIDNRSA-N 2 1 361.490 0.329 20 30 FCEDMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C1 ZINC001107609451 1259132897 /nfs/dbraw/zinc/13/28/97/1259132897.db2.gz SWSGOPXEXIEPOF-GPMSIDNRSA-N 2 1 361.490 0.329 20 30 FCEDMP C[NH+]1CC[C@H](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)C1 ZINC001107609451 1259132899 /nfs/dbraw/zinc/13/28/99/1259132899.db2.gz SWSGOPXEXIEPOF-GPMSIDNRSA-N 2 1 361.490 0.329 20 30 FCEDMP Cc1nc[nH]c1CC(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107620255 1259134926 /nfs/dbraw/zinc/13/49/26/1259134926.db2.gz GKTXXXYZQJLEKA-CRAIPNDOSA-N 2 1 358.446 0.261 20 30 FCEDMP Cn1cc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C(=O)[C@@H]2CN(C)CCO2)cc1C#N ZINC001273217890 1260627214 /nfs/dbraw/zinc/62/72/14/1260627214.db2.gz NYUCGLBYLUPTAI-BZSNNMDCSA-N 2 1 357.458 0.403 20 30 FCEDMP C#CCN1CCN(c2nnc([C@H]3C[C@@H]([NH3+])C3)n2CCC[N@H+](C)C(C)C)CC1 ZINC001574707500 1271498092 /nfs/dbraw/zinc/49/80/92/1271498092.db2.gz UJGRSSBHPWLVQU-HDICACEKSA-N 2 1 373.549 0.968 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCc2c[nH]nn2)C2CCCC2)CC1 ZINC001574967539 1271686289 /nfs/dbraw/zinc/68/62/89/1271686289.db2.gz UTSFUGSZEGFIFJ-IBGZPJMESA-N 2 1 372.517 0.957 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001757363884 1290760648 /nfs/dbraw/zinc/76/06/48/1290760648.db2.gz PVKKNPOMDVUKPK-KSZLIROESA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001757363884 1290760655 /nfs/dbraw/zinc/76/06/55/1290760655.db2.gz PVKKNPOMDVUKPK-KSZLIROESA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001757363884 1290760661 /nfs/dbraw/zinc/76/06/61/1290760661.db2.gz PVKKNPOMDVUKPK-KSZLIROESA-N 2 1 362.518 0.827 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001757363884 1290760670 /nfs/dbraw/zinc/76/06/70/1290760670.db2.gz PVKKNPOMDVUKPK-KSZLIROESA-N 2 1 362.518 0.827 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001689190613 1294658001 /nfs/dbraw/zinc/65/80/01/1294658001.db2.gz GFZXMQPVMJABOZ-DLBZAZTESA-N 2 1 366.506 0.369 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H]1CC ZINC001689190613 1294658005 /nfs/dbraw/zinc/65/80/05/1294658005.db2.gz GFZXMQPVMJABOZ-DLBZAZTESA-N 2 1 366.506 0.369 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275347 837642417 /nfs/dbraw/zinc/64/24/17/837642417.db2.gz HPBGMLPUOSYUMO-YUELXQCFSA-N 2 1 352.870 0.714 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275347 837642420 /nfs/dbraw/zinc/64/24/20/837642420.db2.gz HPBGMLPUOSYUMO-YUELXQCFSA-N 2 1 352.870 0.714 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@]2(C)C1 ZINC001101443646 844187633 /nfs/dbraw/zinc/18/76/33/844187633.db2.gz MQPKQROSFDJJBB-FCEWJHQRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443646 844187637 /nfs/dbraw/zinc/18/76/37/844187637.db2.gz MQPKQROSFDJJBB-FCEWJHQRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@]2(C)C1 ZINC001101443646 844187642 /nfs/dbraw/zinc/18/76/42/844187642.db2.gz MQPKQROSFDJJBB-FCEWJHQRSA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC001102044980 844394689 /nfs/dbraw/zinc/39/46/89/844394689.db2.gz MNSSRHRCCMKFHS-BZUAXINKSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC001102051997 844398163 /nfs/dbraw/zinc/39/81/63/844398163.db2.gz XUXCYSVJLCPMOS-OWCLPIDISA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051997 844398167 /nfs/dbraw/zinc/39/81/67/844398167.db2.gz XUXCYSVJLCPMOS-OWCLPIDISA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)C[N@@H+](C)C2CCC2)[C@H](C)C1 ZINC001102051997 844398175 /nfs/dbraw/zinc/39/81/75/844398175.db2.gz XUXCYSVJLCPMOS-OWCLPIDISA-N 2 1 350.507 0.846 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523105 841121747 /nfs/dbraw/zinc/12/17/47/841121747.db2.gz NNHSKUFQUNHLPN-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523105 841121754 /nfs/dbraw/zinc/12/17/54/841121754.db2.gz NNHSKUFQUNHLPN-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523105 841121758 /nfs/dbraw/zinc/12/17/58/841121758.db2.gz NNHSKUFQUNHLPN-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCc3cccs3)C[C@@H]2O)CC1 ZINC001084090071 841698160 /nfs/dbraw/zinc/69/81/60/841698160.db2.gz IQRFURWOYSESJN-MSOLQXFVSA-N 2 1 361.511 0.797 20 30 FCEDMP C=C(C)CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404656 843913842 /nfs/dbraw/zinc/91/38/42/843913842.db2.gz RFOYLVRIANHKIF-SJLPKXTDSA-N 2 1 353.507 0.957 20 30 FCEDMP C=C(C)CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404656 843913853 /nfs/dbraw/zinc/91/38/53/843913853.db2.gz RFOYLVRIANHKIF-SJLPKXTDSA-N 2 1 353.507 0.957 20 30 FCEDMP C=C(C)CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404656 843913857 /nfs/dbraw/zinc/91/38/57/843913857.db2.gz RFOYLVRIANHKIF-SJLPKXTDSA-N 2 1 353.507 0.957 20 30 FCEDMP C=C(C)CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404656 843913863 /nfs/dbraw/zinc/91/38/63/843913863.db2.gz RFOYLVRIANHKIF-SJLPKXTDSA-N 2 1 353.507 0.957 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](C[C@@H](O)COC)C[C@H]1C ZINC001103099248 844700341 /nfs/dbraw/zinc/70/03/41/844700341.db2.gz GKSLZHAWULXKQR-TVFCKZIOSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](C[C@@H](O)COC)C[C@H]1C ZINC001103099248 844700347 /nfs/dbraw/zinc/70/03/47/844700347.db2.gz GKSLZHAWULXKQR-TVFCKZIOSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1C ZINC001103099248 844700352 /nfs/dbraw/zinc/70/03/52/844700352.db2.gz GKSLZHAWULXKQR-TVFCKZIOSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](C[C@@H](O)COC)C[C@H]1C ZINC001103099248 844700357 /nfs/dbraw/zinc/70/03/57/844700357.db2.gz GKSLZHAWULXKQR-TVFCKZIOSA-N 2 1 351.491 0.166 20 30 FCEDMP C=C(C)CN1C[C@@]2(CC[N@H+](CCCN3CC[NH+](C)CC3)C2)OCC1=O ZINC001276630461 861506808 /nfs/dbraw/zinc/50/68/08/861506808.db2.gz XYOUNSQYNSVLMI-IBGZPJMESA-N 2 1 350.507 0.503 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COC)C1 ZINC001104305981 844892141 /nfs/dbraw/zinc/89/21/41/844892141.db2.gz DLVPIRMFHXTBDU-BDXSIMOUSA-N 2 1 351.491 0.166 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]C[C@H](O)COC)C1 ZINC001104305981 844892149 /nfs/dbraw/zinc/89/21/49/844892149.db2.gz DLVPIRMFHXTBDU-BDXSIMOUSA-N 2 1 351.491 0.166 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@]2(CNC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001107598669 845406378 /nfs/dbraw/zinc/40/63/78/845406378.db2.gz QBCGJRQSVVVDKC-VQIMIIECSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598669 845406383 /nfs/dbraw/zinc/40/63/83/845406383.db2.gz QBCGJRQSVVVDKC-VQIMIIECSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001107598669 845406386 /nfs/dbraw/zinc/40/63/86/845406386.db2.gz QBCGJRQSVVVDKC-VQIMIIECSA-N 2 1 350.507 0.991 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001110107342 845791365 /nfs/dbraw/zinc/79/13/65/845791365.db2.gz DSLQWSMCBRSATJ-MHORFTMASA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCOCC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001111411013 846101095 /nfs/dbraw/zinc/10/10/95/846101095.db2.gz DSLQWSMCBRSATJ-TVFCKZIOSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854372 846231163 /nfs/dbraw/zinc/23/11/63/846231163.db2.gz PIUJCCFSYAYDHS-BXWFABGCSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCC[NH+](C)C)C1 ZINC001111854373 846232328 /nfs/dbraw/zinc/23/23/28/846232328.db2.gz PIUJCCFSYAYDHS-GJYPPUQNSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001112004436 846289621 /nfs/dbraw/zinc/28/96/21/846289621.db2.gz BTZQLCSAKZXDFM-BXWFABGCSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112004436 846289633 /nfs/dbraw/zinc/28/96/33/846289633.db2.gz BTZQLCSAKZXDFM-BXWFABGCSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C(C)C)C1 ZINC001112004436 846289643 /nfs/dbraw/zinc/28/96/43/846289643.db2.gz BTZQLCSAKZXDFM-BXWFABGCSA-N 2 1 350.507 0.988 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166176 846429655 /nfs/dbraw/zinc/42/96/55/846429655.db2.gz IIKDWJFAXWEKCL-RBSFLKMASA-N 2 1 361.408 0.957 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C[C@H]1C(F)(F)F ZINC001112166176 846429660 /nfs/dbraw/zinc/42/96/60/846429660.db2.gz IIKDWJFAXWEKCL-RBSFLKMASA-N 2 1 361.408 0.957 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001164576090 850417307 /nfs/dbraw/zinc/41/73/07/850417307.db2.gz NNUVUFBNUPULKH-BZUAXINKSA-N 2 1 350.507 0.893 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC(C)(C)C2)C[C@H]1C ZINC001215557954 855128137 /nfs/dbraw/zinc/12/81/37/855128137.db2.gz GKKWSQXTQCPNPP-BZUAXINKSA-N 2 1 350.507 0.846 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+]3CCCCC3)[C@H]2C1 ZINC001219049691 855525441 /nfs/dbraw/zinc/52/54/41/855525441.db2.gz UYQDKCXBISEWTB-ZWKOTPCHSA-N 2 1 351.491 0.977 20 30 FCEDMP N#CC1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCN(Cc2ccccc2)CC1 ZINC001220646237 856218028 /nfs/dbraw/zinc/21/80/28/856218028.db2.gz QBNSOCJETLWOGZ-INIZCTEOSA-N 2 1 361.515 0.680 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@@H]21 ZINC001224199187 856969326 /nfs/dbraw/zinc/96/93/26/856969326.db2.gz UTGHABGNAPSKOR-SQNIBIBYSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@@H]21 ZINC001224199187 856969329 /nfs/dbraw/zinc/96/93/29/856969329.db2.gz UTGHABGNAPSKOR-SQNIBIBYSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224199187 856969338 /nfs/dbraw/zinc/96/93/38/856969338.db2.gz UTGHABGNAPSKOR-SQNIBIBYSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@@H]21 ZINC001224199187 856969343 /nfs/dbraw/zinc/96/93/43/856969343.db2.gz UTGHABGNAPSKOR-SQNIBIBYSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235455807 857424067 /nfs/dbraw/zinc/42/40/67/857424067.db2.gz YZJRPTVHJQQQOF-QFBILLFUSA-N 2 1 350.507 0.894 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](C[C@@H]1CNC(C)(C)O1)C2 ZINC001235455807 857424069 /nfs/dbraw/zinc/42/40/69/857424069.db2.gz YZJRPTVHJQQQOF-QFBILLFUSA-N 2 1 350.507 0.894 20 30 FCEDMP C=CC[NH+](CC=C)CCN1CC[NH+](C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001257243325 858133881 /nfs/dbraw/zinc/13/38/81/858133881.db2.gz NACBGBPQMKYLRH-UHFFFAOYSA-N 2 1 370.563 0.702 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C#N)cn1 ZINC000294812491 214266274 /nfs/dbraw/zinc/26/62/74/214266274.db2.gz PTJDLIGKTZJXJS-MRXNPFEDSA-N 2 1 372.473 0.766 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419842875 246316068 /nfs/dbraw/zinc/31/60/68/246316068.db2.gz MHKRZZNCRISFBS-SFHVURJKSA-N 2 1 369.469 0.461 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419842875 246316073 /nfs/dbraw/zinc/31/60/73/246316073.db2.gz MHKRZZNCRISFBS-SFHVURJKSA-N 2 1 369.469 0.461 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000419893448 246356992 /nfs/dbraw/zinc/35/69/92/246356992.db2.gz MCWIAKMNALBXIJ-SFHVURJKSA-N 2 1 369.469 0.461 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000419893448 246356997 /nfs/dbraw/zinc/35/69/97/246356997.db2.gz MCWIAKMNALBXIJ-SFHVURJKSA-N 2 1 369.469 0.461 20 30 FCEDMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[C@H]([NH3+])CCCC#N)cc2)CC1 ZINC000424142508 247171514 /nfs/dbraw/zinc/17/15/14/247171514.db2.gz YJPMFILDSOHVBT-QGZVFWFLSA-N 2 1 357.458 0.712 20 30 FCEDMP CS(=O)(=O)Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264068729 533372822 /nfs/dbraw/zinc/37/28/22/533372822.db2.gz CKIGYSTWFKTOBL-UHFFFAOYSA-N 2 1 368.503 0.358 20 30 FCEDMP COc1ccc(CNC(=[NH2+])NC[C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000264083165 533551216 /nfs/dbraw/zinc/55/12/16/533551216.db2.gz IDNGSEDWCXIGSC-HNNXBMFYSA-N 2 1 363.506 0.992 20 30 FCEDMP COCCOc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264126971 229323952 /nfs/dbraw/zinc/32/39/52/229323952.db2.gz WPJYUNICYWLQHJ-UHFFFAOYSA-N 2 1 350.463 0.838 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCCS(=O)(=O)c1ccccc1 ZINC000264135456 229326395 /nfs/dbraw/zinc/32/63/95/229326395.db2.gz ZOZVGFLEYHVCDC-UHFFFAOYSA-N 2 1 368.503 0.477 20 30 FCEDMP CC[N@H+](CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000328696770 488931056 /nfs/dbraw/zinc/93/10/56/488931056.db2.gz KZVLFHHUROAFAX-UHFFFAOYSA-N 2 1 365.522 0.871 20 30 FCEDMP CC[N@@H+](CCNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C1CC1 ZINC000328696770 488931060 /nfs/dbraw/zinc/93/10/60/488931060.db2.gz KZVLFHHUROAFAX-UHFFFAOYSA-N 2 1 365.522 0.871 20 30 FCEDMP COCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000328739807 488934728 /nfs/dbraw/zinc/93/47/28/488934728.db2.gz MUTHZCGIPKLELC-SJORKVTESA-N 2 1 354.495 0.665 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(=O)(=O)CCO)cc1 ZINC000276601271 488785437 /nfs/dbraw/zinc/78/54/37/488785437.db2.gz IDEHLCJHAQTQIF-HNNXBMFYSA-N 2 1 368.503 0.341 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000180983011 488862739 /nfs/dbraw/zinc/86/27/39/488862739.db2.gz SPLZVDKPKZWWAP-OAHLLOKOSA-N 2 1 352.479 0.916 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+](CCC(=O)OC)C[C@H]2C)CC1 ZINC000180983011 488862740 /nfs/dbraw/zinc/86/27/40/488862740.db2.gz SPLZVDKPKZWWAP-OAHLLOKOSA-N 2 1 352.479 0.916 20 30 FCEDMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000329949923 489053443 /nfs/dbraw/zinc/05/34/43/489053443.db2.gz LSAWSKGOOKTNLC-KKUMJFAQSA-N 2 1 356.467 0.585 20 30 FCEDMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)NC(=O)[C@@H]1CN(C)CCO1 ZINC000329949923 489053447 /nfs/dbraw/zinc/05/34/47/489053447.db2.gz LSAWSKGOOKTNLC-KKUMJFAQSA-N 2 1 356.467 0.585 20 30 FCEDMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000330102103 489068810 /nfs/dbraw/zinc/06/88/10/489068810.db2.gz FQHYGTCPCNBFIU-HOTGVXAUSA-N 2 1 353.511 0.869 20 30 FCEDMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000330102103 489068814 /nfs/dbraw/zinc/06/88/14/489068814.db2.gz FQHYGTCPCNBFIU-HOTGVXAUSA-N 2 1 353.511 0.869 20 30 FCEDMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000330102102 489069068 /nfs/dbraw/zinc/06/90/68/489069068.db2.gz FQHYGTCPCNBFIU-CVEARBPZSA-N 2 1 353.511 0.869 20 30 FCEDMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC(=O)N2CC[NH+](C)CC2)C[C@H]1C ZINC000330102102 489069072 /nfs/dbraw/zinc/06/90/72/489069072.db2.gz FQHYGTCPCNBFIU-CVEARBPZSA-N 2 1 353.511 0.869 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000369399382 489232595 /nfs/dbraw/zinc/23/25/95/489232595.db2.gz BUDFCVITFFLQOF-SFHVURJKSA-N 2 1 365.522 0.343 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375235683 489711501 /nfs/dbraw/zinc/71/15/01/489711501.db2.gz BJPCDQQLKPVJPH-UHFFFAOYSA-N 2 1 351.495 0.348 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)[C@H](C)CC#N ZINC000509343186 490418066 /nfs/dbraw/zinc/41/80/66/490418066.db2.gz JFKGHORHCSAWLI-HZPDHXFCSA-N 2 1 359.540 0.813 20 30 FCEDMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000567880092 491537236 /nfs/dbraw/zinc/53/72/36/491537236.db2.gz BQPQQRKRJNRVSC-HZPDHXFCSA-N 2 1 371.485 0.835 20 30 FCEDMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000567880092 491537238 /nfs/dbraw/zinc/53/72/38/491537238.db2.gz BQPQQRKRJNRVSC-HZPDHXFCSA-N 2 1 371.485 0.835 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000561437503 491608554 /nfs/dbraw/zinc/60/85/54/491608554.db2.gz JFYUPUJIXUAECO-NVXWUHKLSA-N 2 1 350.507 0.942 20 30 FCEDMP N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000600721646 491878842 /nfs/dbraw/zinc/87/88/42/491878842.db2.gz DPGJEQOICFKKIS-SJORKVTESA-N 2 1 360.458 0.475 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)CC1=O ZINC000609584284 492215116 /nfs/dbraw/zinc/21/51/16/492215116.db2.gz WUQXZMGXEYRFLA-HZPDHXFCSA-N 2 1 361.490 0.423 20 30 FCEDMP C[C@@H]1C[C@H](NC(NCC(=O)N(C)C)=[NH+]C2CCOCC2)C[N@H+]1C1CC1 ZINC000262244960 533898385 /nfs/dbraw/zinc/89/83/85/533898385.db2.gz ATZONBRLYBNNEK-HIFRSBDPSA-N 2 1 351.495 0.414 20 30 FCEDMP C[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179087712 526353130 /nfs/dbraw/zinc/35/31/30/526353130.db2.gz YRDBFBMLLMUNJO-SFHVURJKSA-N 2 1 365.522 0.474 20 30 FCEDMP C[NH+]=C(NCCN1CCOC(C)(C)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000179085711 526355990 /nfs/dbraw/zinc/35/59/90/526355990.db2.gz GZXLXGPLKNFAAG-QGZVFWFLSA-N 2 1 367.538 0.327 20 30 FCEDMP C[NH+]=C(NCCc1cn2c(n1)CCCC2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261838020 526364364 /nfs/dbraw/zinc/36/43/64/526364364.db2.gz VYWMDSGGTUXXLM-KRWDZBQOSA-N 2 1 374.533 0.991 20 30 FCEDMP C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261764846 526374663 /nfs/dbraw/zinc/37/46/63/526374663.db2.gz ORCQOZBYRALBQA-MAUKXSAKSA-N 2 1 350.463 0.717 20 30 FCEDMP C[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261764842 526375341 /nfs/dbraw/zinc/37/53/41/526375341.db2.gz ORCQOZBYRALBQA-CRAIPNDOSA-N 2 1 350.463 0.717 20 30 FCEDMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)NC1CCN(C(=O)C2CC2)CC1 ZINC000262805071 526379869 /nfs/dbraw/zinc/37/98/69/526379869.db2.gz RWGAIWJSYRPMLD-GOSISDBHSA-N 2 1 367.563 0.990 20 30 FCEDMP CC[NH+]=C(NC[C@H]1CN2CCN1CC2)NC1CC[NH+](C2CCCC2)CC1 ZINC000261794118 528814673 /nfs/dbraw/zinc/81/46/73/528814673.db2.gz LHDLZUQSVWMUBZ-IBGZPJMESA-N 2 1 362.566 0.948 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000553733392 547302837 /nfs/dbraw/zinc/30/28/37/547302837.db2.gz PHWYSYCVNBEWPP-INIZCTEOSA-N 2 1 350.507 0.943 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000303906031 674572971 /nfs/dbraw/zinc/57/29/71/674572971.db2.gz VTTNVFRFXDFFFT-ZDUSSCGKSA-N 2 1 351.417 0.497 20 30 FCEDMP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000304761393 674583226 /nfs/dbraw/zinc/58/32/26/674583226.db2.gz UKAUUCKKQSGPHO-CQSZACIVSA-N 2 1 355.483 0.480 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)NC1CCN(CC(=O)NCCC)CC1 ZINC000836215328 670039558 /nfs/dbraw/zinc/03/95/58/670039558.db2.gz ASZNXSGWRPFXDC-UHFFFAOYSA-N 2 1 351.495 0.231 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC(=O)NCCC)CC1 ZINC000836215328 670039567 /nfs/dbraw/zinc/03/95/67/670039567.db2.gz ASZNXSGWRPFXDC-UHFFFAOYSA-N 2 1 351.495 0.231 20 30 FCEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673826 675657023 /nfs/dbraw/zinc/65/70/23/675657023.db2.gz XNFPJYYBOFYMAR-BRWVUGGUSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CC[NH+]1CCC2(CO[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001045673826 675657027 /nfs/dbraw/zinc/65/70/27/675657027.db2.gz XNFPJYYBOFYMAR-BRWVUGGUSA-N 2 1 351.491 0.879 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105017213 1183071050 /nfs/dbraw/zinc/07/10/50/1183071050.db2.gz VOZCQEIDPZKVFG-HLLBOEOZSA-N 2 1 361.490 0.956 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001105017212 1183071507 /nfs/dbraw/zinc/07/15/07/1183071507.db2.gz VOZCQEIDPZKVFG-BFYDXBDKSA-N 2 1 361.490 0.956 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001105067428 1183099973 /nfs/dbraw/zinc/09/99/73/1183099973.db2.gz ZZZPGKASWCGDQP-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000978868460 1186019579 /nfs/dbraw/zinc/01/95/79/1186019579.db2.gz AQJWHCGSMPINDV-SFFUCWETSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000978868460 1186019585 /nfs/dbraw/zinc/01/95/85/1186019585.db2.gz AQJWHCGSMPINDV-SFFUCWETSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000978868460 1186019592 /nfs/dbraw/zinc/01/95/92/1186019592.db2.gz AQJWHCGSMPINDV-SFFUCWETSA-N 2 1 360.502 0.435 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000978868460 1186019600 /nfs/dbraw/zinc/01/96/00/1186019600.db2.gz AQJWHCGSMPINDV-SFFUCWETSA-N 2 1 360.502 0.435 20 30 FCEDMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3CCC[C@]3(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001112529859 1186092721 /nfs/dbraw/zinc/09/27/21/1186092721.db2.gz RXUMDHDVGYKAJL-BXWFABGCSA-N 2 1 361.490 0.186 20 30 FCEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001211713247 1186697106 /nfs/dbraw/zinc/69/71/06/1186697106.db2.gz DRXNGVXSWUFHEG-ZWKOTPCHSA-N 2 1 371.485 0.552 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cncn3C)CC[C@@H]2C1 ZINC001087997960 1190173279 /nfs/dbraw/zinc/17/32/79/1190173279.db2.gz JNUHGSLMPDXGEU-AOIWGVFYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cncn3C)CC[C@@H]2C1 ZINC001087997960 1190173281 /nfs/dbraw/zinc/17/32/81/1190173281.db2.gz JNUHGSLMPDXGEU-AOIWGVFYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncn3C)CC[C@@H]2C1 ZINC001087997960 1190173283 /nfs/dbraw/zinc/17/32/83/1190173283.db2.gz JNUHGSLMPDXGEU-AOIWGVFYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cncn3C)CC[C@@H]2C1 ZINC001087997960 1190173285 /nfs/dbraw/zinc/17/32/85/1190173285.db2.gz JNUHGSLMPDXGEU-AOIWGVFYSA-N 2 1 355.486 0.798 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C)CC1 ZINC000988320087 1191178553 /nfs/dbraw/zinc/17/85/53/1191178553.db2.gz QNEMJDMRJZWPAJ-RWQQGDIJSA-N 2 1 374.529 0.777 20 30 FCEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c1 ZINC001083465616 1193787275 /nfs/dbraw/zinc/78/72/75/1193787275.db2.gz LBDWWZMZAXXHMM-QRVBRYPASA-N 2 1 354.454 0.561 20 30 FCEDMP N#Cc1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)[C@@H](O)C2)c1 ZINC001083465616 1193787278 /nfs/dbraw/zinc/78/72/78/1193787278.db2.gz LBDWWZMZAXXHMM-QRVBRYPASA-N 2 1 354.454 0.561 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)C1=O ZINC001088702919 1193802468 /nfs/dbraw/zinc/80/24/68/1193802468.db2.gz QQEOKBGWMIQPIF-IKGGRYGDSA-N 2 1 360.502 0.981 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@H]2C)C1=O ZINC001088702919 1193802469 /nfs/dbraw/zinc/80/24/69/1193802469.db2.gz QQEOKBGWMIQPIF-IKGGRYGDSA-N 2 1 360.502 0.981 20 30 FCEDMP N#Cc1cccc(C[N@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001077007390 1195141597 /nfs/dbraw/zinc/14/15/97/1195141597.db2.gz LBDWWZMZAXXHMM-IPMKNSEASA-N 2 1 354.454 0.561 20 30 FCEDMP N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001077007390 1195141607 /nfs/dbraw/zinc/14/16/07/1195141607.db2.gz LBDWWZMZAXXHMM-IPMKNSEASA-N 2 1 354.454 0.561 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCOC(C)C)C[C@@H]32)CC1 ZINC001219050832 1224319420 /nfs/dbraw/zinc/31/94/20/1224319420.db2.gz QBCUYILMHVULMX-RBUKOAKNSA-N 2 1 363.502 0.668 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106266512 1197806587 /nfs/dbraw/zinc/80/65/87/1197806587.db2.gz NZUMCZXXUXEAMP-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCN2CCCC2=O)[C@H](C)C1 ZINC001106266512 1197806590 /nfs/dbraw/zinc/80/65/90/1197806590.db2.gz NZUMCZXXUXEAMP-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798277 1200522192 /nfs/dbraw/zinc/52/21/92/1200522192.db2.gz CSTXYPXKQMTZJJ-OWSLCNJRSA-N 2 1 360.502 0.720 20 30 FCEDMP C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC[N@@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000787301772 1200878183 /nfs/dbraw/zinc/87/81/83/1200878183.db2.gz DPEXBRWZBDSELW-RBUKOAKNSA-N 2 1 364.534 0.490 20 30 FCEDMP C#CCN1CCN(C(=O)C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1 ZINC000787301772 1200878184 /nfs/dbraw/zinc/87/81/84/1200878184.db2.gz DPEXBRWZBDSELW-RBUKOAKNSA-N 2 1 364.534 0.490 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130040572 1201478125 /nfs/dbraw/zinc/47/81/25/1201478125.db2.gz BCBUVLZTBGPKMA-SJORKVTESA-N 2 1 355.446 0.628 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001130040851 1201478298 /nfs/dbraw/zinc/47/82/98/1201478298.db2.gz PBYDMMBLDSGNFO-SJORKVTESA-N 2 1 355.446 0.628 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCC[NH+](C)C)n1 ZINC001130232699 1201558062 /nfs/dbraw/zinc/55/80/62/1201558062.db2.gz OHNBYOHBYKGGMW-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=C(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCC[NH+](C)C)n[nH]1 ZINC001130232699 1201558066 /nfs/dbraw/zinc/55/80/66/1201558066.db2.gz OHNBYOHBYKGGMW-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CCCC[NH+](C)C)n1 ZINC001130246364 1201566364 /nfs/dbraw/zinc/56/63/64/1201566364.db2.gz HPMZAZATELIIHB-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CCCC[NH+](C)C)n[nH]1 ZINC001130246364 1201566368 /nfs/dbraw/zinc/56/63/68/1201566368.db2.gz HPMZAZATELIIHB-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555463 1202715461 /nfs/dbraw/zinc/71/54/61/1202715461.db2.gz FDAMJJLVAQYLAJ-JQHSSLGASA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555463 1202715463 /nfs/dbraw/zinc/71/54/63/1202715463.db2.gz FDAMJJLVAQYLAJ-JQHSSLGASA-N 2 1 361.490 0.601 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C(C)(C)[N@H+](C)CC)n2)O1 ZINC001130790328 1202798510 /nfs/dbraw/zinc/79/85/10/1202798510.db2.gz UJPUAHVQVLVUOV-UONOGXRCSA-N 2 1 362.478 0.594 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)[N@@H+](C)CC)n[nH]2)O1 ZINC001130790328 1202798514 /nfs/dbraw/zinc/79/85/14/1202798514.db2.gz UJPUAHVQVLVUOV-UONOGXRCSA-N 2 1 362.478 0.594 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C(C)(C)[N@H+](C)CC)n[nH]2)O1 ZINC001130790328 1202798517 /nfs/dbraw/zinc/79/85/17/1202798517.db2.gz UJPUAHVQVLVUOV-UONOGXRCSA-N 2 1 362.478 0.594 20 30 FCEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001131607096 1202920002 /nfs/dbraw/zinc/92/00/02/1202920002.db2.gz WYLJIKIBKOFDKB-QRVBRYPASA-N 2 1 363.502 0.716 20 30 FCEDMP C#CCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001131607096 1202920005 /nfs/dbraw/zinc/92/00/05/1202920005.db2.gz WYLJIKIBKOFDKB-QRVBRYPASA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCc3ccnn3C)C[C@H]2C)CC1 ZINC001093223666 1206062370 /nfs/dbraw/zinc/06/23/70/1206062370.db2.gz GGMPQOTYEUYUSQ-IEBWSBKVSA-N 2 1 371.529 0.992 20 30 FCEDMP C#CC[NH2+][C@@H]1C[C@@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@H]2C(C)C)C[C@H]1O ZINC001093469430 1206085564 /nfs/dbraw/zinc/08/55/64/1206085564.db2.gz FTABWHXBMDEWQH-JYBIWHBTSA-N 2 1 363.502 0.308 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+]C[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)C[C@H]2C)C1=O ZINC001093921403 1206149957 /nfs/dbraw/zinc/14/99/57/1206149957.db2.gz OEWMLKSSSZNOPO-DJIMGWMZSA-N 2 1 359.474 0.663 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001188611254 1207467158 /nfs/dbraw/zinc/46/71/58/1207467158.db2.gz WHRISPPGRYVSFE-VVJOJPPRSA-N 2 1 361.486 0.585 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317228 1207532383 /nfs/dbraw/zinc/53/23/83/1207532383.db2.gz KTSPARPMXIPMIV-BPQIPLTHSA-N 2 1 362.518 0.942 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148867 1207647780 /nfs/dbraw/zinc/64/77/80/1207647780.db2.gz KXIMXGQVBCJVJQ-OKZBNKHCSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190148867 1207647790 /nfs/dbraw/zinc/64/77/90/1207647790.db2.gz KXIMXGQVBCJVJQ-OKZBNKHCSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190148867 1207647798 /nfs/dbraw/zinc/64/77/98/1207647798.db2.gz KXIMXGQVBCJVJQ-OKZBNKHCSA-N 2 1 362.518 0.895 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190148867 1207647808 /nfs/dbraw/zinc/64/78/08/1207647808.db2.gz KXIMXGQVBCJVJQ-OKZBNKHCSA-N 2 1 362.518 0.895 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(C)C)C[C@H]32)CC1 ZINC001190323788 1207675765 /nfs/dbraw/zinc/67/57/65/1207675765.db2.gz DYJRPPZLFXEIJW-ZWKOTPCHSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](OCC)C3CC3)C[C@@H]2O)CC1 ZINC001221066158 1225207152 /nfs/dbraw/zinc/20/71/52/1225207152.db2.gz IJSBMTJJZPKYGL-CEXWTWQISA-N 2 1 363.502 0.308 20 30 FCEDMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884234818 1210725036 /nfs/dbraw/zinc/72/50/36/1210725036.db2.gz FNTHAHXOUYGDLD-XAUUPUKJSA-N 3 1 354.458 0.911 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000890368957 1210976009 /nfs/dbraw/zinc/97/60/09/1210976009.db2.gz OVLDAQUPCDLSIT-SJORKVTESA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000890368957 1210976013 /nfs/dbraw/zinc/97/60/13/1210976013.db2.gz OVLDAQUPCDLSIT-SJORKVTESA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000890368957 1210976016 /nfs/dbraw/zinc/97/60/16/1210976016.db2.gz OVLDAQUPCDLSIT-SJORKVTESA-N 2 1 361.490 0.032 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000890368957 1210976019 /nfs/dbraw/zinc/97/60/19/1210976019.db2.gz OVLDAQUPCDLSIT-SJORKVTESA-N 2 1 361.490 0.032 20 30 FCEDMP C=CCn1cc(C[N@@H+]2CCC[C@]3(CC(=O)N(CC[NH+](C)C)C3=O)C2)cn1 ZINC001275972710 1211319416 /nfs/dbraw/zinc/31/94/16/1211319416.db2.gz IHXVPBBXVHYITM-IBGZPJMESA-N 2 1 359.474 0.972 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979820 1211683444 /nfs/dbraw/zinc/68/34/44/1211683444.db2.gz FFIRONKKPVRQDF-TUVASFSCSA-N 2 1 365.478 0.060 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110979820 1211683448 /nfs/dbraw/zinc/68/34/48/1211683448.db2.gz FFIRONKKPVRQDF-TUVASFSCSA-N 2 1 365.478 0.060 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2C)CC1 ZINC000949522387 1212401126 /nfs/dbraw/zinc/40/11/26/1212401126.db2.gz KRKDLKMHCWBJPX-PSBWJHGTSA-N 2 1 374.529 0.635 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)CC1 ZINC000949864794 1212475089 /nfs/dbraw/zinc/47/50/89/1212475089.db2.gz JNZXQNOHFPFAFE-CRAIPNDOSA-N 2 1 371.485 0.500 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701232 1225448765 /nfs/dbraw/zinc/44/87/65/1225448765.db2.gz JMZALLQYNHZFPF-MOXMWUHRSA-N 2 1 361.486 0.585 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701232 1225448767 /nfs/dbraw/zinc/44/87/67/1225448767.db2.gz JMZALLQYNHZFPF-MOXMWUHRSA-N 2 1 361.486 0.585 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC001221701232 1225448769 /nfs/dbraw/zinc/44/87/69/1225448769.db2.gz JMZALLQYNHZFPF-MOXMWUHRSA-N 2 1 361.486 0.585 20 30 FCEDMP COC[C@@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000304763157 1213491746 /nfs/dbraw/zinc/49/17/46/1213491746.db2.gz WNEIHCQCKVXLRV-PBHICJAKSA-N 2 1 361.490 0.823 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001222013600 1225576009 /nfs/dbraw/zinc/57/60/09/1225576009.db2.gz HQARWTJRTMPGTO-FGTMMUONSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001222013600 1225576012 /nfs/dbraw/zinc/57/60/12/1225576012.db2.gz HQARWTJRTMPGTO-FGTMMUONSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013600 1225576015 /nfs/dbraw/zinc/57/60/15/1225576015.db2.gz HQARWTJRTMPGTO-FGTMMUONSA-N 2 1 360.502 0.671 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001222013600 1225576018 /nfs/dbraw/zinc/57/60/18/1225576018.db2.gz HQARWTJRTMPGTO-FGTMMUONSA-N 2 1 360.502 0.671 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001222810011 1225654637 /nfs/dbraw/zinc/65/46/37/1225654637.db2.gz JMEITAMFLVBBAY-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001222810011 1225654642 /nfs/dbraw/zinc/65/46/42/1225654642.db2.gz JMEITAMFLVBBAY-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001222810011 1225654644 /nfs/dbraw/zinc/65/46/44/1225654644.db2.gz JMEITAMFLVBBAY-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001222810011 1225654646 /nfs/dbraw/zinc/65/46/46/1225654646.db2.gz JMEITAMFLVBBAY-KURKYZTESA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046732 1216921847 /nfs/dbraw/zinc/92/18/47/1216921847.db2.gz LQQBAPABALDWFG-SQNIBIBYSA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046732 1216921852 /nfs/dbraw/zinc/92/18/52/1216921852.db2.gz LQQBAPABALDWFG-SQNIBIBYSA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046732 1216921856 /nfs/dbraw/zinc/92/18/56/1216921856.db2.gz LQQBAPABALDWFG-SQNIBIBYSA-N 2 1 358.490 0.906 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@@H](n2ccnn2)C1 ZINC001070046732 1216921860 /nfs/dbraw/zinc/92/18/60/1216921860.db2.gz LQQBAPABALDWFG-SQNIBIBYSA-N 2 1 358.490 0.906 20 30 FCEDMP C[N@H+](CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1)CC(C)(C)C ZINC001223512461 1225712052 /nfs/dbraw/zinc/71/20/52/1225712052.db2.gz JINZCURQSCVHMQ-CVEARBPZSA-N 2 1 363.506 0.527 20 30 FCEDMP C[N@@H+](CC(=O)N1CC[C@H]2CC[NH+](CC(=O)NCC#N)[C@H]2C1)CC(C)(C)C ZINC001223512461 1225712057 /nfs/dbraw/zinc/71/20/57/1225712057.db2.gz JINZCURQSCVHMQ-CVEARBPZSA-N 2 1 363.506 0.527 20 30 FCEDMP C[NH+](CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1)CC(C)(C)C ZINC001223512461 1225712059 /nfs/dbraw/zinc/71/20/59/1225712059.db2.gz JINZCURQSCVHMQ-CVEARBPZSA-N 2 1 363.506 0.527 20 30 FCEDMP C[NH+](CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1)CC(C)(C)C ZINC001223512461 1225712062 /nfs/dbraw/zinc/71/20/62/1225712062.db2.gz JINZCURQSCVHMQ-CVEARBPZSA-N 2 1 363.506 0.527 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCCCC3)C[C@@H]21 ZINC001224222690 1225765589 /nfs/dbraw/zinc/76/55/89/1225765589.db2.gz VQIPNHPBQBVHLG-MSOLQXFVSA-N 2 1 360.502 0.535 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@H]1c1cn(C)cn1 ZINC001070499203 1219440725 /nfs/dbraw/zinc/44/07/25/1219440725.db2.gz HFTISCYAEQFGBC-JENIJYKNSA-N 2 1 357.502 0.915 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[N@@H+]1C ZINC001101243659 1220242733 /nfs/dbraw/zinc/24/27/33/1220242733.db2.gz WHOREUTVYYSXLH-OLMMMNRUSA-N 2 1 361.490 0.137 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[NH+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[N@H+]1C ZINC001101243659 1220242734 /nfs/dbraw/zinc/24/27/34/1220242734.db2.gz WHOREUTVYYSXLH-OLMMMNRUSA-N 2 1 361.490 0.137 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243659 1220242737 /nfs/dbraw/zinc/24/27/37/1220242737.db2.gz WHOREUTVYYSXLH-OLMMMNRUSA-N 2 1 361.490 0.137 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@@]3(C)C2)CC[NH+]1C ZINC001101243659 1220242738 /nfs/dbraw/zinc/24/27/38/1220242738.db2.gz WHOREUTVYYSXLH-OLMMMNRUSA-N 2 1 361.490 0.137 20 30 FCEDMP C[N@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368917 1220304910 /nfs/dbraw/zinc/30/49/10/1220304910.db2.gz URUUWNQIYQDUFK-BEFAXECRSA-N 2 1 363.506 0.384 20 30 FCEDMP C[N@@H+](CC(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368917 1220304912 /nfs/dbraw/zinc/30/49/12/1220304912.db2.gz URUUWNQIYQDUFK-BEFAXECRSA-N 2 1 363.506 0.384 20 30 FCEDMP C[NH+](CC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368917 1220304914 /nfs/dbraw/zinc/30/49/14/1220304914.db2.gz URUUWNQIYQDUFK-BEFAXECRSA-N 2 1 363.506 0.384 20 30 FCEDMP C[NH+](CC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)CC(C)(C)C ZINC001101368917 1220304917 /nfs/dbraw/zinc/30/49/17/1220304917.db2.gz URUUWNQIYQDUFK-BEFAXECRSA-N 2 1 363.506 0.384 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H](C)n3ccnc3)C[C@]2(C)C1 ZINC001101377010 1220308612 /nfs/dbraw/zinc/30/86/12/1220308612.db2.gz NTIHWRVZZIKMSQ-MDZRGWNJSA-N 2 1 357.458 0.364 20 30 FCEDMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001101473257 1220365460 /nfs/dbraw/zinc/36/54/60/1220365460.db2.gz NGVGAWIFBVONIU-APWZRJJASA-N 2 1 361.490 0.282 20 30 FCEDMP C[C@]12CN(C(=O)CCC[NH+]3CCCC3)C[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001101473257 1220365467 /nfs/dbraw/zinc/36/54/67/1220365467.db2.gz NGVGAWIFBVONIU-APWZRJJASA-N 2 1 361.490 0.282 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040355 1220472877 /nfs/dbraw/zinc/47/28/77/1220472877.db2.gz GPRWRXWCJSRARN-FGTMMUONSA-N 2 1 364.534 0.951 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040355 1220472879 /nfs/dbraw/zinc/47/28/79/1220472879.db2.gz GPRWRXWCJSRARN-FGTMMUONSA-N 2 1 364.534 0.951 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040355 1220472881 /nfs/dbraw/zinc/47/28/81/1220472881.db2.gz GPRWRXWCJSRARN-FGTMMUONSA-N 2 1 364.534 0.951 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)[C@H](C)C1 ZINC001102108698 1220500819 /nfs/dbraw/zinc/50/08/19/1220500819.db2.gz XUDORRGPVUFGMZ-IAGOWNOFSA-N 2 1 371.485 0.341 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](C)C1 ZINC001102122953 1220510551 /nfs/dbraw/zinc/51/05/51/1220510551.db2.gz WFPBNKAAIAOGGU-HLLBOEOZSA-N 2 1 367.453 0.770 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC001102151036 1220525501 /nfs/dbraw/zinc/52/55/01/1220525501.db2.gz VTMXWRJRMXMPJF-UKRRQHHQSA-N 2 1 354.414 0.272 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001102185488 1220541393 /nfs/dbraw/zinc/54/13/93/1220541393.db2.gz FDGKQQNHAKZZSV-KYJSFNMBSA-N 2 1 361.490 0.185 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320921 1220584462 /nfs/dbraw/zinc/58/44/62/1220584462.db2.gz ZGTXIIFRZKGKFN-RBSFLKMASA-N 2 1 367.494 0.023 20 30 FCEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102496407 1220657395 /nfs/dbraw/zinc/65/73/95/1220657395.db2.gz TWJFIBADSSKEPE-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496407 1220657398 /nfs/dbraw/zinc/65/73/98/1220657398.db2.gz TWJFIBADSSKEPE-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496407 1220657401 /nfs/dbraw/zinc/65/74/01/1220657401.db2.gz TWJFIBADSSKEPE-HUUCEWRRSA-N 2 1 367.494 0.024 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001102994108 1220817448 /nfs/dbraw/zinc/81/74/48/1220817448.db2.gz QJOWPSMMDJPSPQ-KBAYOESNSA-N 2 1 362.518 0.705 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001103049817 1220823792 /nfs/dbraw/zinc/82/37/92/1220823792.db2.gz GPVNJORXGWYGFD-ZACQAIPSSA-N 2 1 368.497 0.490 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001103049816 1220824035 /nfs/dbraw/zinc/82/40/35/1220824035.db2.gz GPVNJORXGWYGFD-BRWVUGGUSA-N 2 1 368.497 0.490 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)N(C)CC)C[C@H]1C ZINC001103103278 1220834183 /nfs/dbraw/zinc/83/41/83/1220834183.db2.gz BLXPYVIYIQCTJL-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N(C)CC)C[C@H]1C ZINC001103103278 1220834184 /nfs/dbraw/zinc/83/41/84/1220834184.db2.gz BLXPYVIYIQCTJL-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@H]1C ZINC001103103278 1220834187 /nfs/dbraw/zinc/83/41/87/1220834187.db2.gz BLXPYVIYIQCTJL-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)N(C)CC)C[C@H]1C ZINC001103103278 1220834188 /nfs/dbraw/zinc/83/41/88/1220834188.db2.gz BLXPYVIYIQCTJL-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001103232637 1220854532 /nfs/dbraw/zinc/85/45/32/1220854532.db2.gz YYMVNUAYHQNNSK-HUUCEWRRSA-N 2 1 368.441 0.662 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001111751290 1221089087 /nfs/dbraw/zinc/08/90/87/1221089087.db2.gz OXXCUEIAOKZEGL-QKLQHJQFSA-N 2 1 360.502 0.601 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001111753323 1221090065 /nfs/dbraw/zinc/09/00/65/1221090065.db2.gz VHULGHHVHXYXKH-LJCCNALRSA-N 2 1 362.518 0.990 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111986107 1221194420 /nfs/dbraw/zinc/19/44/20/1221194420.db2.gz HXQJKPVHAJKANU-BJLQDIEVSA-N 2 1 363.502 0.575 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001111986107 1221194422 /nfs/dbraw/zinc/19/44/22/1221194422.db2.gz HXQJKPVHAJKANU-BJLQDIEVSA-N 2 1 363.502 0.575 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C2 ZINC001112428889 1221257668 /nfs/dbraw/zinc/25/76/68/1221257668.db2.gz OWHIEAWVEPAJRB-ZWOKBUDYSA-N 2 1 362.518 0.991 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000841911025 1222831331 /nfs/dbraw/zinc/83/13/31/1222831331.db2.gz WVRFGUWSVSYDBU-DLBZAZTESA-N 2 1 363.506 0.231 20 30 FCEDMP N#Cc1cnn2cc(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)cnc12 ZINC000843409532 1222875449 /nfs/dbraw/zinc/87/54/49/1222875449.db2.gz OPMMFFFUVADFFH-UHFFFAOYSA-N 2 1 355.446 0.683 20 30 FCEDMP COCC#CC[NH+]1CCC(CCOC)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001151138296 1222917689 /nfs/dbraw/zinc/91/76/89/1222917689.db2.gz ZLBTXQIKAFDCQX-QZTJIDSGSA-N 2 1 365.518 0.964 20 30 FCEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNc1ncc([N+](=O)[O-])c(C2C[NH2+]C2)n1 ZINC001159928715 1223139897 /nfs/dbraw/zinc/13/98/97/1223139897.db2.gz SMHPZTSAPLRPJN-LBPRGKRZSA-N 2 1 364.406 0.710 20 30 FCEDMP N#Cc1nccnc1N1CCN(c2nc(N3CCC([NH3+])CC3)cc[nH+]2)CC1 ZINC001166920150 1223289337 /nfs/dbraw/zinc/28/93/37/1223289337.db2.gz PQSGVCRJGGRMLL-UHFFFAOYSA-N 2 1 365.445 0.392 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208527858 1223552999 /nfs/dbraw/zinc/55/29/99/1223552999.db2.gz VBRLAHPXCQDKOO-JFIYKMOQSA-N 2 1 365.522 0.771 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208527858 1223553002 /nfs/dbraw/zinc/55/30/02/1223553002.db2.gz VBRLAHPXCQDKOO-JFIYKMOQSA-N 2 1 365.522 0.771 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427456 1223691247 /nfs/dbraw/zinc/69/12/47/1223691247.db2.gz TWUKTHQNHFXDGZ-HUUCEWRRSA-N 2 1 367.494 0.167 20 30 FCEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001210427456 1223691251 /nfs/dbraw/zinc/69/12/51/1223691251.db2.gz TWUKTHQNHFXDGZ-HUUCEWRRSA-N 2 1 367.494 0.167 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](CCCC)C(N)=O)C[C@H]2C)CC1 ZINC001211307285 1223733502 /nfs/dbraw/zinc/73/35/02/1223733502.db2.gz RHOLTZYIHAVEHM-NXHRZFHOSA-N 2 1 362.518 0.812 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001214878932 1223951343 /nfs/dbraw/zinc/95/13/43/1223951343.db2.gz JSFUXKUMZCVQBE-ZACQAIPSSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C1 ZINC001214878932 1223951346 /nfs/dbraw/zinc/95/13/46/1223951346.db2.gz JSFUXKUMZCVQBE-ZACQAIPSSA-N 2 1 362.518 0.683 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C ZINC001216081886 1224033600 /nfs/dbraw/zinc/03/36/00/1224033600.db2.gz QTEAYJJXCQXLQU-CRAIPNDOSA-N 2 1 353.426 0.967 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)[C@H]2C)CC1 ZINC000987467623 1249035189 /nfs/dbraw/zinc/03/51/89/1249035189.db2.gz GOBOQOUUWQPOHL-NJAFHUGGSA-N 2 1 360.502 0.531 20 30 FCEDMP N#CC[C@@]1(O)CCN(Cc2cncc(C[N@@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC001328181319 1265498331 /nfs/dbraw/zinc/49/83/31/1265498331.db2.gz ITWXCRRCWQBBTM-RTBURBONSA-N 2 1 355.442 0.783 20 30 FCEDMP N#CC[C@@]1(O)CCN(Cc2cncc(C[N@H+]3CC[C@](O)(CC#N)C3)c2)C1 ZINC001328181319 1265498337 /nfs/dbraw/zinc/49/83/37/1265498337.db2.gz ITWXCRRCWQBBTM-RTBURBONSA-N 2 1 355.442 0.783 20 30 FCEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000996777708 1251430601 /nfs/dbraw/zinc/43/06/01/1251430601.db2.gz YKZVGTFNTYNZAK-LWSMDNFKSA-N 2 1 362.518 0.384 20 30 FCEDMP C#CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC1 ZINC000996777708 1251430605 /nfs/dbraw/zinc/43/06/05/1251430605.db2.gz YKZVGTFNTYNZAK-LWSMDNFKSA-N 2 1 362.518 0.384 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001002246866 1252488753 /nfs/dbraw/zinc/48/87/53/1252488753.db2.gz VKBMWYICRJJHPF-CRAIPNDOSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001003676358 1253053488 /nfs/dbraw/zinc/05/34/88/1253053488.db2.gz HRXYLMWJBSZJIQ-ZSXDVEMLSA-N 2 1 374.529 0.918 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001003676358 1253053505 /nfs/dbraw/zinc/05/35/05/1253053505.db2.gz HRXYLMWJBSZJIQ-ZSXDVEMLSA-N 2 1 374.529 0.918 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001003675877 1253054191 /nfs/dbraw/zinc/05/41/91/1253054191.db2.gz AOSZLALQSAUIDS-YRXWBPOGSA-N 2 1 372.513 0.674 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1CC[NH+](C)CC1 ZINC001003675877 1253054199 /nfs/dbraw/zinc/05/41/99/1253054199.db2.gz AOSZLALQSAUIDS-YRXWBPOGSA-N 2 1 372.513 0.674 20 30 FCEDMP C=CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H](C)COC ZINC001330465615 1266033141 /nfs/dbraw/zinc/03/31/41/1266033141.db2.gz GSDVIHASEOKNLN-HZPDHXFCSA-N 2 1 366.506 0.321 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148678 1257403381 /nfs/dbraw/zinc/40/33/81/1257403381.db2.gz AEFJZXVXPYVXKN-KZIZELGASA-N 2 1 361.486 0.727 20 30 FCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148678 1257403385 /nfs/dbraw/zinc/40/33/85/1257403385.db2.gz AEFJZXVXPYVXKN-KZIZELGASA-N 2 1 361.486 0.727 20 30 FCEDMP C=C(C)CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148678 1257403388 /nfs/dbraw/zinc/40/33/88/1257403388.db2.gz AEFJZXVXPYVXKN-KZIZELGASA-N 2 1 361.486 0.727 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@@H]2O)CC1 ZINC001084090031 1257914871 /nfs/dbraw/zinc/91/48/71/1257914871.db2.gz HAJRLGZABWBNHM-QYZOEREBSA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC3CC(OCC)C3)C[C@@H]2O)CC1 ZINC001084090372 1257915140 /nfs/dbraw/zinc/91/51/40/1257915140.db2.gz XJZHKKZWFISSBH-AWRGBYNESA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001084850146 1258400273 /nfs/dbraw/zinc/40/02/73/1258400273.db2.gz MCTJRRNCXGEFQG-KZNAEPCWSA-N 2 1 358.486 0.095 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CC1 ZINC001084850146 1258400277 /nfs/dbraw/zinc/40/02/77/1258400277.db2.gz MCTJRRNCXGEFQG-KZNAEPCWSA-N 2 1 358.486 0.095 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)COCC[NH+](C)C)CCC[C@@H]12 ZINC001107609248 1259132844 /nfs/dbraw/zinc/13/28/44/1259132844.db2.gz KVKOWSDKABAUTP-VQIMIIECSA-N 2 1 366.506 0.228 20 30 FCEDMP C#CCC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC2 ZINC001127997447 1259190322 /nfs/dbraw/zinc/19/03/22/1259190322.db2.gz OCIUHUTZUWCIAT-BZUAXINKSA-N 2 1 358.490 0.552 20 30 FCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001128993827 1259285087 /nfs/dbraw/zinc/28/50/87/1259285087.db2.gz UPNZGFLAXVMRSU-KSZLIROESA-N 2 1 358.490 0.928 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262981 1259359612 /nfs/dbraw/zinc/35/96/12/1259359612.db2.gz XNLIZHINYUEZPH-ZACQAIPSSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262981 1259359617 /nfs/dbraw/zinc/35/96/17/1259359617.db2.gz XNLIZHINYUEZPH-ZACQAIPSSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262981 1259359625 /nfs/dbraw/zinc/35/96/25/1259359625.db2.gz XNLIZHINYUEZPH-ZACQAIPSSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](n2ccnn2)C1 ZINC001129262981 1259359631 /nfs/dbraw/zinc/35/96/31/1259359631.db2.gz XNLIZHINYUEZPH-ZACQAIPSSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CCOC[C@@H](O)C[N@@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001252466164 1259791796 /nfs/dbraw/zinc/79/17/96/1259791796.db2.gz MXMVHSPHUGIIGN-INIZCTEOSA-N 2 1 361.490 0.193 20 30 FCEDMP C=CCOC[C@@H](O)C[N@H+]1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001252466164 1259791802 /nfs/dbraw/zinc/79/18/02/1259791802.db2.gz MXMVHSPHUGIIGN-INIZCTEOSA-N 2 1 361.490 0.193 20 30 FCEDMP CC[NH+]=C(NCC1(O)CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001336888513 1260246264 /nfs/dbraw/zinc/24/62/64/1260246264.db2.gz GPBCHVANPFTWFF-MRXNPFEDSA-N 2 1 354.495 0.148 20 30 FCEDMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC001322975633 1264306535 /nfs/dbraw/zinc/30/65/35/1264306535.db2.gz PQLXJEKYLCJOEW-GOSISDBHSA-N 2 1 368.481 0.439 20 30 FCEDMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC001322975633 1264306546 /nfs/dbraw/zinc/30/65/46/1264306546.db2.gz PQLXJEKYLCJOEW-GOSISDBHSA-N 2 1 368.481 0.439 20 30 FCEDMP C#CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001574603607 1271407045 /nfs/dbraw/zinc/40/70/45/1271407045.db2.gz BUHNHHSDRLSDGP-KRWDZBQOSA-N 2 1 373.549 0.841 20 30 FCEDMP C#CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001574603607 1271407052 /nfs/dbraw/zinc/40/70/52/1271407052.db2.gz BUHNHHSDRLSDGP-KRWDZBQOSA-N 2 1 373.549 0.841 20 30 FCEDMP C#CCN(C)c1nnc([C@H]2CCC[NH2+]C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001574603607 1271407057 /nfs/dbraw/zinc/40/70/57/1271407057.db2.gz BUHNHHSDRLSDGP-KRWDZBQOSA-N 2 1 373.549 0.841 20 30 FCEDMP C#CCN(C)c1nnc(C2CC[NH2+]CC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001574603555 1271408046 /nfs/dbraw/zinc/40/80/46/1271408046.db2.gz BEHGMPWFGOGJIV-QGZVFWFLSA-N 2 1 360.506 0.661 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C)[C@@H](C[NH2+]CCc3c[nH]nn3)C2)CC1 ZINC001574966924 1271686326 /nfs/dbraw/zinc/68/63/26/1271686326.db2.gz LHVPSAWKKBXKDL-AEFFLSMTSA-N 2 1 372.517 0.767 20 30 FCEDMP COC(=O)[C@@H]([NH2+]CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C(C)C ZINC001578830116 1276341759 /nfs/dbraw/zinc/34/17/59/1276341759.db2.gz YWQMRNONAFDJFH-DGSCNEQVSA-N 2 1 350.463 0.419 20 30 FCEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC([N@@H+]3CCC[C@H]3C(N)=O)CC1)C2 ZINC001580041642 1277997569 /nfs/dbraw/zinc/99/75/69/1277997569.db2.gz FYLCEZYZVZGOPH-XLMXBGDPSA-N 2 1 359.474 0.066 20 30 FCEDMP C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001752926444 1290616106 /nfs/dbraw/zinc/61/61/06/1290616106.db2.gz QXHUBIAVLDVKTC-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001691842474 1294938122 /nfs/dbraw/zinc/93/81/22/1294938122.db2.gz VLANLAAESIEOHI-RBUKOAKNSA-N 2 1 370.497 0.662 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001691842474 1294938131 /nfs/dbraw/zinc/93/81/31/1294938131.db2.gz VLANLAAESIEOHI-RBUKOAKNSA-N 2 1 370.497 0.662 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1n1ccnn1 ZINC001070207876 837634278 /nfs/dbraw/zinc/63/42/78/837634278.db2.gz SYWSMNVXAPNACA-KGLIPLIRSA-N 2 1 352.870 0.856 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)[C@H](C)C1 ZINC001102021584 844386161 /nfs/dbraw/zinc/38/61/61/844386161.db2.gz TXLVQQAAYMHWCD-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021584 844386173 /nfs/dbraw/zinc/38/61/73/844386173.db2.gz TXLVQQAAYMHWCD-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2CCC)[C@H](C)C1 ZINC001102021584 844386185 /nfs/dbraw/zinc/38/61/85/844386185.db2.gz TXLVQQAAYMHWCD-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001102524728 844551490 /nfs/dbraw/zinc/55/14/90/844551490.db2.gz SZJYFWHUQIWXLQ-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524728 844551497 /nfs/dbraw/zinc/55/14/97/844551497.db2.gz SZJYFWHUQIWXLQ-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CCC)[C@H](C)C1 ZINC001102524728 844551501 /nfs/dbraw/zinc/55/15/01/844551501.db2.gz SZJYFWHUQIWXLQ-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C=C(C)CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275902 840858823 /nfs/dbraw/zinc/85/88/23/840858823.db2.gz BSUZGPCDXNMYFD-FGTMMUONSA-N 2 1 351.491 0.833 20 30 FCEDMP C=C(C)CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275902 840858833 /nfs/dbraw/zinc/85/88/33/840858833.db2.gz BSUZGPCDXNMYFD-FGTMMUONSA-N 2 1 351.491 0.833 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001103156573 844712338 /nfs/dbraw/zinc/71/23/38/844712338.db2.gz LOGKCACKBROWNI-HZPDHXFCSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156573 844712347 /nfs/dbraw/zinc/71/23/47/844712347.db2.gz LOGKCACKBROWNI-HZPDHXFCSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001103156573 844712353 /nfs/dbraw/zinc/71/23/53/844712353.db2.gz LOGKCACKBROWNI-HZPDHXFCSA-N 2 1 350.507 0.540 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C2)C1=O ZINC001103398164 844750594 /nfs/dbraw/zinc/75/05/94/844750594.db2.gz GCPZGPGTXXFOGX-BRWVUGGUSA-N 2 1 350.507 0.799 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001103665647 844797632 /nfs/dbraw/zinc/79/76/32/844797632.db2.gz NZSUJVHRNJVVMF-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103665647 844797639 /nfs/dbraw/zinc/79/76/39/844797639.db2.gz NZSUJVHRNJVVMF-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001103665647 844797647 /nfs/dbraw/zinc/79/76/47/844797647.db2.gz NZSUJVHRNJVVMF-BRWVUGGUSA-N 2 1 350.507 0.540 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001104211055 844877827 /nfs/dbraw/zinc/87/78/27/844877827.db2.gz PDMARRJAJNMDEH-QBPKDAKJSA-N 2 1 350.507 0.703 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001104353664 844897072 /nfs/dbraw/zinc/89/70/72/844897072.db2.gz DDHJMFKDDAYGJY-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932625 844960665 /nfs/dbraw/zinc/96/06/65/844960665.db2.gz DTPFIHUREFQCCZ-IAGOWNOFSA-N 2 1 350.507 0.542 20 30 FCEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)C1 ZINC001105042168 844974146 /nfs/dbraw/zinc/97/41/46/844974146.db2.gz QRTUHQSODROTQM-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC#CCOC)C2)C1 ZINC001105042168 844974152 /nfs/dbraw/zinc/97/41/52/844974152.db2.gz QRTUHQSODROTQM-KURKYZTESA-N 2 1 351.491 0.431 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)C[C@H]1C ZINC001107036512 845316066 /nfs/dbraw/zinc/31/60/66/845316066.db2.gz MZZUNUNZRNSTMV-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343286 845356760 /nfs/dbraw/zinc/35/67/60/845356760.db2.gz UWGBVDZQEJFVHT-ZHALLVOQSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343286 845356772 /nfs/dbraw/zinc/35/67/72/845356772.db2.gz UWGBVDZQEJFVHT-ZHALLVOQSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343286 845356780 /nfs/dbraw/zinc/35/67/80/845356780.db2.gz UWGBVDZQEJFVHT-ZHALLVOQSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343286 845356792 /nfs/dbraw/zinc/35/67/92/845356792.db2.gz UWGBVDZQEJFVHT-ZHALLVOQSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@H+](C)CCO3)CCC[C@@H]12 ZINC001107343285 845357664 /nfs/dbraw/zinc/35/76/64/845357664.db2.gz UWGBVDZQEJFVHT-YQVWRLOYSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[NH+]1CC[C@@]2(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)CCC[C@@H]12 ZINC001107343285 845357674 /nfs/dbraw/zinc/35/76/74/845357674.db2.gz UWGBVDZQEJFVHT-YQVWRLOYSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343285 845357682 /nfs/dbraw/zinc/35/76/82/845357682.db2.gz UWGBVDZQEJFVHT-YQVWRLOYSA-N 2 1 351.491 0.880 20 30 FCEDMP C=CCOCC[N@H+]1CC[C@@]2(CNC(=O)[C@@H]3C[NH+](C)CCO3)CCC[C@@H]12 ZINC001107343285 845357691 /nfs/dbraw/zinc/35/76/91/845357691.db2.gz UWGBVDZQEJFVHT-YQVWRLOYSA-N 2 1 351.491 0.880 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCCN1CC[NH+](C)CC1)C2=O ZINC001276814784 861624442 /nfs/dbraw/zinc/62/44/42/861624442.db2.gz KHDWMMFWVGTLJZ-PKOBYXMFSA-N 2 1 350.507 0.238 20 30 FCEDMP C=C[C@H](O)C[N@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276814784 861624450 /nfs/dbraw/zinc/62/44/50/861624450.db2.gz KHDWMMFWVGTLJZ-PKOBYXMFSA-N 2 1 350.507 0.238 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCC[NH+]1CCN(C)CC1)C2=O ZINC001276814784 861624458 /nfs/dbraw/zinc/62/44/58/861624458.db2.gz KHDWMMFWVGTLJZ-PKOBYXMFSA-N 2 1 350.507 0.238 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1n1ccnn1 ZINC001129983269 848927203 /nfs/dbraw/zinc/92/72/03/848927203.db2.gz VDOBTPQQLYANRN-KGLIPLIRSA-N 2 1 352.870 0.714 20 30 FCEDMP C=CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001130305214 848998569 /nfs/dbraw/zinc/99/85/69/848998569.db2.gz NXASDQMUDLCXTC-APWZRJJASA-N 2 1 350.507 0.990 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1c1cn(C)cn1 ZINC001130712595 849028607 /nfs/dbraw/zinc/02/86/07/849028607.db2.gz CBOJXLHXKPFZEM-GOEBONIOSA-N 2 1 369.897 0.635 20 30 FCEDMP C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C(C)C)n2)O1 ZINC001130820305 849049499 /nfs/dbraw/zinc/04/94/99/849049499.db2.gz SHZDSGUVTKSJQU-UONOGXRCSA-N 2 1 350.467 0.757 20 30 FCEDMP C=CCOC[C@H](O)C[N@@H+]1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001277775312 862067647 /nfs/dbraw/zinc/06/76/47/862067647.db2.gz MUKPULLYCXBSMF-IEBWSBKVSA-N 2 1 353.507 0.816 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189545039 851800671 /nfs/dbraw/zinc/80/06/71/851800671.db2.gz YJWANRZPXOQTJQ-FUHWJXTLSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001195901064 852844440 /nfs/dbraw/zinc/84/44/40/852844440.db2.gz WJAPXGCMIJOXFZ-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001195901064 852844446 /nfs/dbraw/zinc/84/44/46/852844446.db2.gz WJAPXGCMIJOXFZ-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195901064 852844449 /nfs/dbraw/zinc/84/44/49/852844449.db2.gz WJAPXGCMIJOXFZ-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001195901064 852844454 /nfs/dbraw/zinc/84/44/54/852844454.db2.gz WJAPXGCMIJOXFZ-IXDOHACOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001208396049 853925851 /nfs/dbraw/zinc/92/58/51/853925851.db2.gz MKXBJHNXOUTOOY-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001208396049 853925857 /nfs/dbraw/zinc/92/58/57/853925857.db2.gz MKXBJHNXOUTOOY-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208396049 853925861 /nfs/dbraw/zinc/92/58/61/853925861.db2.gz MKXBJHNXOUTOOY-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001208396049 853925867 /nfs/dbraw/zinc/92/58/67/853925867.db2.gz MKXBJHNXOUTOOY-BRWVUGGUSA-N 2 1 350.507 0.847 20 30 FCEDMP C=CCN1CC[C@@H]([NH+]2C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C2)C1=O ZINC001210485738 854114158 /nfs/dbraw/zinc/11/41/58/854114158.db2.gz KALBCBGDHQLOBL-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C2)C1=O ZINC001210485738 854114163 /nfs/dbraw/zinc/11/41/63/854114163.db2.gz KALBCBGDHQLOBL-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C2)C1=O ZINC001210485738 854114166 /nfs/dbraw/zinc/11/41/66/854114166.db2.gz KALBCBGDHQLOBL-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214343752 854928280 /nfs/dbraw/zinc/92/82/80/854928280.db2.gz FIJPFXDOHVHYEF-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794787 855815478 /nfs/dbraw/zinc/81/54/78/855815478.db2.gz OOVYOMBFMRGALQ-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794787 855815481 /nfs/dbraw/zinc/81/54/81/855815481.db2.gz OOVYOMBFMRGALQ-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794787 855815488 /nfs/dbraw/zinc/81/54/88/855815488.db2.gz OOVYOMBFMRGALQ-KURKYZTESA-N 2 1 351.491 0.757 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573285717 946785077 /nfs/dbraw/zinc/78/50/77/946785077.db2.gz LXGYXZUGRQCDOS-KRWDZBQOSA-N 2 1 367.457 0.560 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573285717 946785087 /nfs/dbraw/zinc/78/50/87/946785087.db2.gz LXGYXZUGRQCDOS-KRWDZBQOSA-N 2 1 367.457 0.560 20 30 FCEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419888116 246351877 /nfs/dbraw/zinc/35/18/77/246351877.db2.gz QWVUZRYVHUFBOO-QGZVFWFLSA-N 2 1 355.442 0.071 20 30 FCEDMP N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419888116 246351881 /nfs/dbraw/zinc/35/18/81/246351881.db2.gz QWVUZRYVHUFBOO-QGZVFWFLSA-N 2 1 355.442 0.071 20 30 FCEDMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419981469 246398185 /nfs/dbraw/zinc/39/81/85/246398185.db2.gz SELKVBKTWQXFBI-SFHVURJKSA-N 2 1 371.485 0.692 20 30 FCEDMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000419981469 246398187 /nfs/dbraw/zinc/39/81/87/246398187.db2.gz SELKVBKTWQXFBI-SFHVURJKSA-N 2 1 371.485 0.692 20 30 FCEDMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)CC1 ZINC000424155595 247173583 /nfs/dbraw/zinc/17/35/83/247173583.db2.gz MYIUICPIJZFAFR-QGZVFWFLSA-N 2 1 363.506 0.800 20 30 FCEDMP COc1ccc(CCNC(=[NH2+])NCCN2CCC[N@@H+](C)CC2)cc1OC ZINC000264063809 533478647 /nfs/dbraw/zinc/47/86/47/533478647.db2.gz AIVFNJCIISTDNH-UHFFFAOYSA-N 2 1 363.506 0.788 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1(N2CCOCC2)CCCCC1 ZINC000104154408 229161966 /nfs/dbraw/zinc/16/19/66/229161966.db2.gz WGVAJOGTMHXUBH-UHFFFAOYSA-N 2 1 367.538 0.648 20 30 FCEDMP CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185524452 229232777 /nfs/dbraw/zinc/23/27/77/229232777.db2.gz VCYOKQHDSGMDOP-MRXNPFEDSA-N 2 1 365.522 0.617 20 30 FCEDMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(NCC(=O)N(C)C)=[NH+]C1CCOCC1 ZINC000262303178 229302025 /nfs/dbraw/zinc/30/20/25/229302025.db2.gz ODYFROAWWDAFNN-CJNGLKHVSA-N 2 1 351.495 0.272 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(CN2CCCC2=O)cc1 ZINC000264089793 229320661 /nfs/dbraw/zinc/32/06/61/229320661.db2.gz KOCMWUCSISXGFK-UHFFFAOYSA-N 2 1 373.501 0.936 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCc1cccc(C(=O)NC2CC2)c1 ZINC000264128915 229324837 /nfs/dbraw/zinc/32/48/37/229324837.db2.gz XFBFDZRAOZYMNK-UHFFFAOYSA-N 2 1 359.474 0.705 20 30 FCEDMP C[C@H](O)C[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000329494425 489009953 /nfs/dbraw/zinc/00/99/53/489009953.db2.gz IKWSBSTZCGQTSU-HOTGVXAUSA-N 2 1 355.527 0.313 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000329494425 489009954 /nfs/dbraw/zinc/00/99/54/489009954.db2.gz IKWSBSTZCGQTSU-HOTGVXAUSA-N 2 1 355.527 0.313 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000329494425 489009956 /nfs/dbraw/zinc/00/99/56/489009956.db2.gz IKWSBSTZCGQTSU-HOTGVXAUSA-N 2 1 355.527 0.313 20 30 FCEDMP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000329642883 489023520 /nfs/dbraw/zinc/02/35/20/489023520.db2.gz IRBFSLXGMZFFHO-QZTJIDSGSA-N 2 1 367.538 0.721 20 30 FCEDMP CN1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C2CC2)C1 ZINC000329847593 489041669 /nfs/dbraw/zinc/04/16/69/489041669.db2.gz MVZWCBCKUXXEOB-KKUMJFAQSA-N 2 1 354.451 0.339 20 30 FCEDMP CN1CCO[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C2CC2)C1 ZINC000329847593 489041672 /nfs/dbraw/zinc/04/16/72/489041672.db2.gz MVZWCBCKUXXEOB-KKUMJFAQSA-N 2 1 354.451 0.339 20 30 FCEDMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000330177670 489076575 /nfs/dbraw/zinc/07/65/75/489076575.db2.gz KYCIAWCMBBXFME-KBAYOESNSA-N 2 1 367.538 0.504 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cncc(C#N)c1 ZINC000289664344 489084971 /nfs/dbraw/zinc/08/49/71/489084971.db2.gz FOOYJPDKVPCMGD-INIZCTEOSA-N 2 1 365.503 0.990 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCn1cc(Br)cn1 ZINC000285254937 489318009 /nfs/dbraw/zinc/31/80/09/489318009.db2.gz ZHLSCGJOJCQIIZ-UHFFFAOYSA-N 2 1 359.272 0.272 20 30 FCEDMP C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)C(C)C ZINC000285824917 489323546 /nfs/dbraw/zinc/32/35/46/489323546.db2.gz UEISIRWDNCRYIV-INIZCTEOSA-N 2 1 371.547 0.968 20 30 FCEDMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420002528 489878544 /nfs/dbraw/zinc/87/85/44/489878544.db2.gz WQKJHUIENXDNDF-OAHLLOKOSA-N 2 1 357.458 0.446 20 30 FCEDMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000420002528 489878549 /nfs/dbraw/zinc/87/85/49/489878549.db2.gz WQKJHUIENXDNDF-OAHLLOKOSA-N 2 1 357.458 0.446 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+](C)C/C=C\C[NH+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000499993579 490477265 /nfs/dbraw/zinc/47/72/65/490477265.db2.gz ATKKZGPICQLZBG-UNWHRZBZSA-N 2 1 360.502 0.980 20 30 FCEDMP C=CCN1CC[C@@H]([NH+](C)C/C=C\C[N@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000499993579 490477270 /nfs/dbraw/zinc/47/72/70/490477270.db2.gz ATKKZGPICQLZBG-UNWHRZBZSA-N 2 1 360.502 0.980 20 30 FCEDMP C=CCN1CC[C@@H]([NH+](C)C/C=C\C[N@@H+](C)[C@H]2CCN(CC=C)C2=O)C1=O ZINC000499993579 490477275 /nfs/dbraw/zinc/47/72/75/490477275.db2.gz ATKKZGPICQLZBG-UNWHRZBZSA-N 2 1 360.502 0.980 20 30 FCEDMP C[C@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CCN1 ZINC000423033008 490524322 /nfs/dbraw/zinc/52/43/22/490524322.db2.gz GAXKMIXBIPGEKH-INIZCTEOSA-N 2 1 369.469 0.413 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000574592197 491507216 /nfs/dbraw/zinc/50/72/16/491507216.db2.gz LNYPQXVGHDSDFA-MRXNPFEDSA-N 2 1 366.506 0.228 20 30 FCEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC#CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000681339442 493757418 /nfs/dbraw/zinc/75/74/18/493757418.db2.gz MWVMMVGAESVKMY-XLAORIBOSA-N 2 1 362.518 0.968 20 30 FCEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC#CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000681339438 493757537 /nfs/dbraw/zinc/75/75/37/493757537.db2.gz MWVMMVGAESVKMY-TVFCKZIOSA-N 2 1 362.518 0.968 20 30 FCEDMP Cc1ccc(C(=O)NCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1F ZINC000264119813 534264587 /nfs/dbraw/zinc/26/45/87/534264587.db2.gz QRDWECBFDKFWQX-UHFFFAOYSA-N 2 1 365.453 0.491 20 30 FCEDMP C[NH+]=C(NCC1([NH+](C)C)Cc2ccccc2C1)N[C@H]1CCc2ncnn2C1 ZINC000262663763 526350345 /nfs/dbraw/zinc/35/03/45/526350345.db2.gz MNIFVAHXYNECOI-KRWDZBQOSA-N 2 1 367.501 0.857 20 30 FCEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)N1CCS[C@@H](C(C)C)C1 ZINC000179073283 526352553 /nfs/dbraw/zinc/35/25/53/526352553.db2.gz VBPLXWMCENYYFO-OAHLLOKOSA-N 2 1 355.552 0.799 20 30 FCEDMP CCOC1CC(CNC(=[NH2+])NC[C@@H]2CCC[N@H+]2CC)(N2CCOCC2)C1 ZINC000193827545 528480741 /nfs/dbraw/zinc/48/07/41/528480741.db2.gz AWOORWPWJCJOEJ-MUYFXNHWSA-N 2 1 367.538 0.645 20 30 FCEDMP CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261997384 528812043 /nfs/dbraw/zinc/81/20/43/528812043.db2.gz SSOMUJRNRFGUJZ-IJEWVQPXSA-N 2 1 371.551 0.306 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)C[C@H](C)C#N ZINC000409591009 529071066 /nfs/dbraw/zinc/07/10/66/529071066.db2.gz IBQDJAJNUBRPSU-HZPDHXFCSA-N 2 1 359.540 0.671 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(S(=O)(=O)NC)c1 ZINC000264088890 529074452 /nfs/dbraw/zinc/07/44/52/529074452.db2.gz KIPUJTGITLRUFD-CQSZACIVSA-N 2 1 353.492 0.483 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000264072908 529074889 /nfs/dbraw/zinc/07/48/89/529074889.db2.gz DPLAVQWFOTWZHL-GOSISDBHSA-N 3 1 374.533 0.867 20 30 FCEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431613 663533307 /nfs/dbraw/zinc/53/33/07/663533307.db2.gz SOZUHZQGSJVLPT-ZHALLVOQSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)CC[NH+]1CCO[C@]2(CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)C1 ZINC000972431613 663533309 /nfs/dbraw/zinc/53/33/09/663533309.db2.gz SOZUHZQGSJVLPT-ZHALLVOQSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)CC[N@@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431613 663533312 /nfs/dbraw/zinc/53/33/12/663533312.db2.gz SOZUHZQGSJVLPT-ZHALLVOQSA-N 2 1 351.491 0.975 20 30 FCEDMP C=C(C)CC[N@H+]1CCO[C@]2(CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)C1 ZINC000972431613 663533316 /nfs/dbraw/zinc/53/33/16/663533316.db2.gz SOZUHZQGSJVLPT-ZHALLVOQSA-N 2 1 351.491 0.975 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)CC[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001104310731 1169884738 /nfs/dbraw/zinc/88/47/38/1169884738.db2.gz FOHYWZWZEVSDBJ-KZNAEPCWSA-N 2 1 362.518 0.684 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)[C@@H]2C1 ZINC001022353480 1170885182 /nfs/dbraw/zinc/88/51/82/1170885182.db2.gz UXEZNRNWSDYMPL-XWTMOSNGSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001022353480 1170885183 /nfs/dbraw/zinc/88/51/83/1170885183.db2.gz UXEZNRNWSDYMPL-XWTMOSNGSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001022353480 1170885185 /nfs/dbraw/zinc/88/51/85/1170885185.db2.gz UXEZNRNWSDYMPL-XWTMOSNGSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001022353480 1170885186 /nfs/dbraw/zinc/88/51/86/1170885186.db2.gz UXEZNRNWSDYMPL-XWTMOSNGSA-N 2 1 358.486 0.238 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001104422526 1171953634 /nfs/dbraw/zinc/95/36/34/1171953634.db2.gz XKWXOZCLUDYFLD-HYVNUMGLSA-N 2 1 359.474 0.404 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000972835201 1180880247 /nfs/dbraw/zinc/88/02/47/1180880247.db2.gz QJNCBOIFBKYDNI-FGTMMUONSA-N 2 1 358.486 0.239 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000972835201 1180880250 /nfs/dbraw/zinc/88/02/50/1180880250.db2.gz QJNCBOIFBKYDNI-FGTMMUONSA-N 2 1 358.486 0.239 20 30 FCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579403 1182205648 /nfs/dbraw/zinc/20/56/48/1182205648.db2.gz BMNHHDRGVMRFBB-QRVBRYPASA-N 2 1 365.518 0.820 20 30 FCEDMP COCC#CC[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1C ZINC001104579403 1182205652 /nfs/dbraw/zinc/20/56/52/1182205652.db2.gz BMNHHDRGVMRFBB-QRVBRYPASA-N 2 1 365.518 0.820 20 30 FCEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1CC[NH2+]CC(=O)NCC#N ZINC001104589402 1182256921 /nfs/dbraw/zinc/25/69/21/1182256921.db2.gz ZWNIFBUVJKCATH-LTIDMASMSA-N 2 1 363.506 0.431 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1c1ccccc1 ZINC001211702824 1186585242 /nfs/dbraw/zinc/58/52/42/1186585242.db2.gz GFWDJXVZPXQMMJ-RBUKOAKNSA-N 2 1 370.497 0.662 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3cncc3C)[C@H]2CC)C1=O ZINC001087659526 1189710723 /nfs/dbraw/zinc/71/07/23/1189710723.db2.gz MJOPSJUNSFHITQ-GVDBMIGSSA-N 2 1 359.474 0.948 20 30 FCEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)Cn3c[nH+]cc3C)[C@H]2CC)C1=O ZINC001087659526 1189710755 /nfs/dbraw/zinc/71/07/55/1189710755.db2.gz MJOPSJUNSFHITQ-GVDBMIGSSA-N 2 1 359.474 0.948 20 30 FCEDMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)N(CCCC#N)C2=O)C1 ZINC001276794478 1224210147 /nfs/dbraw/zinc/21/01/47/1224210147.db2.gz KRRUREPKFZQMAT-BEFAXECRSA-N 2 1 364.490 0.880 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H]32)CC1 ZINC001076605720 1194593298 /nfs/dbraw/zinc/59/32/98/1194593298.db2.gz PCTVKQDNBKOOBX-RYQLBKOJSA-N 2 1 360.502 0.341 20 30 FCEDMP C[NH+](C)CC#CCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000905151309 1195577708 /nfs/dbraw/zinc/57/77/08/1195577708.db2.gz LBNQLGMVLTXQHD-KRWDZBQOSA-N 2 1 357.458 0.823 20 30 FCEDMP C[NH+](C)CC#CCNC(=O)Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000905151309 1195577712 /nfs/dbraw/zinc/57/77/12/1195577712.db2.gz LBNQLGMVLTXQHD-KRWDZBQOSA-N 2 1 357.458 0.823 20 30 FCEDMP C[NH+]1CCN(CC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CC1 ZINC000593883644 1196832039 /nfs/dbraw/zinc/83/20/39/1196832039.db2.gz REFGQNLRYQVUIT-UHFFFAOYSA-N 2 1 355.486 0.886 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)CC1 ZINC000992402319 1197089283 /nfs/dbraw/zinc/08/92/83/1197089283.db2.gz WMDQTGIKINXXHO-ZWKOTPCHSA-N 2 1 360.502 0.389 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1 ZINC001106266553 1197806320 /nfs/dbraw/zinc/80/63/20/1197806320.db2.gz QGGZBFLSZUXADM-LMMKCTJWSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCc2ccnn2C)[C@H](C)C1 ZINC001106266553 1197806322 /nfs/dbraw/zinc/80/63/22/1197806322.db2.gz QGGZBFLSZUXADM-LMMKCTJWSA-N 2 1 357.502 0.744 20 30 FCEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](CNC(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1=O ZINC001086371199 1198333449 /nfs/dbraw/zinc/33/34/49/1198333449.db2.gz VUHRZGZPQRHYMY-KFGODFMUSA-N 2 1 362.518 0.988 20 30 FCEDMP C#CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CC[NH2+]CC2 ZINC001219723383 1224577384 /nfs/dbraw/zinc/57/73/84/1224577384.db2.gz LOOCLTDBMHHGNF-OALUTQOASA-N 3 1 354.498 0.955 20 30 FCEDMP C#CCNC(=O)CN1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000769703265 1200350666 /nfs/dbraw/zinc/35/06/66/1200350666.db2.gz HIUXSWXJUYAECP-UHFFFAOYSA-N 2 1 362.518 0.925 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129918920 1201440735 /nfs/dbraw/zinc/44/07/35/1201440735.db2.gz MECWMYFSLFUXOI-SQNIBIBYSA-N 2 1 358.490 0.763 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C[C@@H]1n1ccnn1 ZINC001129918919 1201440950 /nfs/dbraw/zinc/44/09/50/1201440950.db2.gz MECWMYFSLFUXOI-KURKYZTESA-N 2 1 358.490 0.763 20 30 FCEDMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001129982632 1201462487 /nfs/dbraw/zinc/46/24/87/1201462487.db2.gz GKIGQMMDOSIGQZ-NXHRZFHOSA-N 2 1 369.473 0.963 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001129982990 1201462596 /nfs/dbraw/zinc/46/25/96/1201462596.db2.gz MBEPJOLKHVSMLQ-NXHRZFHOSA-N 2 1 367.457 0.410 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C2CC2)[NH+](C)C)[nH]1 ZINC001130220675 1201550182 /nfs/dbraw/zinc/55/01/82/1201550182.db2.gz INMSADONLSDKLM-OFQRWUPVSA-N 2 1 362.478 0.409 20 30 FCEDMP CC#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001130305205 1201581345 /nfs/dbraw/zinc/58/13/45/1201581345.db2.gz NOUQASDYBDOBTC-XLIONFOSSA-N 2 1 362.518 0.827 20 30 FCEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001130725796 1202767375 /nfs/dbraw/zinc/76/73/75/1202767375.db2.gz FQBOUGYVDOSETL-XYJFISCASA-N 2 1 361.490 0.458 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134129155 1203014521 /nfs/dbraw/zinc/01/45/21/1203014521.db2.gz AFEWECSSSXHZBE-JQHSSLGASA-N 2 1 358.486 0.728 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001086720952 1203019112 /nfs/dbraw/zinc/01/91/12/1203019112.db2.gz XQNGDDCWQAQQQR-UHOSZYNNSA-N 2 1 370.497 0.857 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001086720952 1203019115 /nfs/dbraw/zinc/01/91/15/1203019115.db2.gz XQNGDDCWQAQQQR-UHOSZYNNSA-N 2 1 370.497 0.857 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1c1cnn(C)c1 ZINC001087000334 1204889124 /nfs/dbraw/zinc/88/91/24/1204889124.db2.gz QRFZGGYZCZXARY-DLBZAZTESA-N 2 1 354.458 0.957 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccnn3C)C[C@H]2C)CC1 ZINC001093222751 1206062161 /nfs/dbraw/zinc/06/21/61/1206062161.db2.gz OHGGCHCVSJHISN-SJLPKXTDSA-N 2 1 357.502 0.949 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3cnnn3C)C[C@H]2C)CC1 ZINC001093223592 1206062439 /nfs/dbraw/zinc/06/24/39/1206062439.db2.gz BWOOCCZBWJNQBZ-NVXWUHKLSA-N 2 1 358.490 0.344 20 30 FCEDMP C=CC[NH2+][C@@H]1C[C@]2(CN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C(C)C)C[C@H]1O ZINC001093470606 1206086226 /nfs/dbraw/zinc/08/62/26/1206086226.db2.gz XILANEKYHVVVBM-HNBVOPMISA-N 2 1 365.518 0.861 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)NCC=C)CC1 ZINC001110152291 1206170995 /nfs/dbraw/zinc/17/09/95/1206170995.db2.gz NARNKEXTGPDHCZ-YSHGAJCASA-N 2 1 372.513 0.744 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)NCC=C)CC1 ZINC001110152291 1206170996 /nfs/dbraw/zinc/17/09/96/1206170996.db2.gz NARNKEXTGPDHCZ-YSHGAJCASA-N 2 1 372.513 0.744 20 30 FCEDMP C#CCNCc1cn([C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)nn1 ZINC001185953859 1206489152 /nfs/dbraw/zinc/48/91/52/1206489152.db2.gz HRAIYVLGBSMLEX-OKZBNKHCSA-N 2 1 358.490 0.895 20 30 FCEDMP CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190157746 1207655079 /nfs/dbraw/zinc/65/50/79/1207655079.db2.gz QMESCHZSPGKCQH-GVDBMIGSSA-N 2 1 361.490 0.233 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157746 1207655085 /nfs/dbraw/zinc/65/50/85/1207655085.db2.gz QMESCHZSPGKCQH-GVDBMIGSSA-N 2 1 361.490 0.233 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157746 1207655091 /nfs/dbraw/zinc/65/50/91/1207655091.db2.gz QMESCHZSPGKCQH-GVDBMIGSSA-N 2 1 361.490 0.233 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190157746 1207655097 /nfs/dbraw/zinc/65/50/97/1207655097.db2.gz QMESCHZSPGKCQH-GVDBMIGSSA-N 2 1 361.490 0.233 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190157746 1207655101 /nfs/dbraw/zinc/65/51/01/1207655101.db2.gz QMESCHZSPGKCQH-GVDBMIGSSA-N 2 1 361.490 0.233 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276815593 1225028796 /nfs/dbraw/zinc/02/87/96/1225028796.db2.gz RNXBNJLBHNDTLY-ICSRJNTNSA-N 2 1 364.534 0.628 20 30 FCEDMP C=C[C@H](O)C[N@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276815593 1225028804 /nfs/dbraw/zinc/02/88/04/1225028804.db2.gz RNXBNJLBHNDTLY-ICSRJNTNSA-N 2 1 364.534 0.628 20 30 FCEDMP C=C[C@H](O)C[N@@H+]1CCCC[C@@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276815593 1225028809 /nfs/dbraw/zinc/02/88/09/1225028809.db2.gz RNXBNJLBHNDTLY-ICSRJNTNSA-N 2 1 364.534 0.628 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCCN1CC[NH+](C)CC1)C2 ZINC001276815602 1225029546 /nfs/dbraw/zinc/02/95/46/1225029546.db2.gz RNXBNJLBHNDTLY-UYAOXDASSA-N 2 1 364.534 0.628 20 30 FCEDMP C=C[C@@H](O)C[N@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276815602 1225029551 /nfs/dbraw/zinc/02/95/51/1225029551.db2.gz RNXBNJLBHNDTLY-UYAOXDASSA-N 2 1 364.534 0.628 20 30 FCEDMP C=C[C@@H](O)C[N@@H+]1CCCC[C@]12CC(=O)N(CCC[NH+]1CCN(C)CC1)C2 ZINC001276815602 1225029562 /nfs/dbraw/zinc/02/95/62/1225029562.db2.gz RNXBNJLBHNDTLY-UYAOXDASSA-N 2 1 364.534 0.628 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709794 1209713240 /nfs/dbraw/zinc/71/32/40/1209713240.db2.gz LPSXGKHDKCSEBX-TVFCKZIOSA-N 2 1 372.513 0.722 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CCC[NH+](CCC1)C3)C2 ZINC001110709794 1209713245 /nfs/dbraw/zinc/71/32/45/1209713245.db2.gz LPSXGKHDKCSEBX-TVFCKZIOSA-N 2 1 372.513 0.722 20 30 FCEDMP CCC(CC)[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)N1CCOCC1 ZINC000104160329 1210938137 /nfs/dbraw/zinc/93/81/37/1210938137.db2.gz BHSYIFJLTFCRGA-GOSISDBHSA-N 2 1 369.554 0.750 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831037 1210986885 /nfs/dbraw/zinc/98/68/85/1210986885.db2.gz PQCQKEMJKXKXAK-WEXBMKDWSA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001110831037 1210986888 /nfs/dbraw/zinc/98/68/88/1210986888.db2.gz PQCQKEMJKXKXAK-WEXBMKDWSA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001110831037 1210986895 /nfs/dbraw/zinc/98/68/95/1210986895.db2.gz PQCQKEMJKXKXAK-WEXBMKDWSA-N 2 1 359.470 0.221 20 30 FCEDMP COCC#CC[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001110831037 1210986898 /nfs/dbraw/zinc/98/68/98/1210986898.db2.gz PQCQKEMJKXKXAK-WEXBMKDWSA-N 2 1 359.470 0.221 20 30 FCEDMP C=C(C[NH+]1CCCCC1)C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001275871566 1211301794 /nfs/dbraw/zinc/30/17/94/1211301794.db2.gz LHGNDKSPYZMNAO-IRXDYDNUSA-N 2 1 360.502 0.697 20 30 FCEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000931872791 1211776262 /nfs/dbraw/zinc/77/62/62/1211776262.db2.gz QUQXPMNBQNGMFD-QGZVFWFLSA-N 2 1 357.458 0.269 20 30 FCEDMP C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1CC[N@H+]1C ZINC000931872791 1211776263 /nfs/dbraw/zinc/77/62/63/1211776263.db2.gz QUQXPMNBQNGMFD-QGZVFWFLSA-N 2 1 357.458 0.269 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111123908 1211892054 /nfs/dbraw/zinc/89/20/54/1211892054.db2.gz PNUWTCBJONSSQF-KURKYZTESA-N 2 1 359.474 0.430 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001111123908 1211892056 /nfs/dbraw/zinc/89/20/56/1211892056.db2.gz PNUWTCBJONSSQF-KURKYZTESA-N 2 1 359.474 0.430 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)C[C@H]2C)CC1 ZINC000947965749 1212105921 /nfs/dbraw/zinc/10/59/21/1212105921.db2.gz YVMIQKFKVJRGTA-NXHRZFHOSA-N 2 1 360.502 0.389 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001111406905 1212993171 /nfs/dbraw/zinc/99/31/71/1212993171.db2.gz GNXRMURAWPKWOY-MLHJIOFPSA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C2 ZINC001111406905 1212993173 /nfs/dbraw/zinc/99/31/73/1212993173.db2.gz GNXRMURAWPKWOY-MLHJIOFPSA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406905 1212993175 /nfs/dbraw/zinc/99/31/75/1212993175.db2.gz GNXRMURAWPKWOY-MLHJIOFPSA-N 2 1 360.502 0.860 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001111406905 1212993177 /nfs/dbraw/zinc/99/31/77/1212993177.db2.gz GNXRMURAWPKWOY-MLHJIOFPSA-N 2 1 360.502 0.860 20 30 FCEDMP [NH2+]=C(NCCCc1nnc2n1CCCCC2)NCCC[NH+]1CCOCC1 ZINC000303989062 1213450862 /nfs/dbraw/zinc/45/08/62/1213450862.db2.gz XIJOPMPINOOAJA-UHFFFAOYSA-N 2 1 363.510 0.564 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848746 1225505504 /nfs/dbraw/zinc/50/55/04/1225505504.db2.gz DPDQAENTYLILGZ-KBAYOESNSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001221848746 1225505508 /nfs/dbraw/zinc/50/55/08/1225505508.db2.gz DPDQAENTYLILGZ-KBAYOESNSA-N 2 1 362.518 0.942 20 30 FCEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001221862754 1225510070 /nfs/dbraw/zinc/51/00/70/1225510070.db2.gz OKWAASXHBCAYEH-SJLPKXTDSA-N 2 1 359.474 0.241 20 30 FCEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC001221862754 1225510075 /nfs/dbraw/zinc/51/00/75/1225510075.db2.gz OKWAASXHBCAYEH-SJLPKXTDSA-N 2 1 359.474 0.241 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C[C@@H]21 ZINC001222810014 1225653898 /nfs/dbraw/zinc/65/38/98/1225653898.db2.gz JMEITAMFLVBBAY-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C[C@@H]21 ZINC001222810014 1225653903 /nfs/dbraw/zinc/65/39/03/1225653903.db2.gz JMEITAMFLVBBAY-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001222810014 1225653906 /nfs/dbraw/zinc/65/39/06/1225653906.db2.gz JMEITAMFLVBBAY-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]21 ZINC001222810014 1225653913 /nfs/dbraw/zinc/65/39/13/1225653913.db2.gz JMEITAMFLVBBAY-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCCc4nccn43)C[C@@H]21 ZINC001222891652 1225663544 /nfs/dbraw/zinc/66/35/44/1225663544.db2.gz ICIQQDCZQIZQRN-ZACQAIPSSA-N 2 1 369.469 0.433 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001223570970 1225716493 /nfs/dbraw/zinc/71/64/93/1225716493.db2.gz VDQCTTOMKRVECZ-HLLBOEOZSA-N 2 1 366.506 0.224 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001223570970 1225716499 /nfs/dbraw/zinc/71/64/99/1225716499.db2.gz VDQCTTOMKRVECZ-HLLBOEOZSA-N 2 1 366.506 0.224 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3CC)C[C@@H]21 ZINC001224233101 1225766976 /nfs/dbraw/zinc/76/69/76/1225766976.db2.gz ISDXVVGLSYMARX-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@@H]21 ZINC001224233101 1225766982 /nfs/dbraw/zinc/76/69/82/1225766982.db2.gz ISDXVVGLSYMARX-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224233101 1225766985 /nfs/dbraw/zinc/76/69/85/1225766985.db2.gz ISDXVVGLSYMARX-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@H]21 ZINC001224233101 1225766992 /nfs/dbraw/zinc/76/69/92/1225766992.db2.gz ISDXVVGLSYMARX-SQNIBIBYSA-N 2 1 360.502 0.533 20 30 FCEDMP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCCn3ccnc3)C[C@@H]21 ZINC001224297760 1225770530 /nfs/dbraw/zinc/77/05/30/1225770530.db2.gz DJDVZGMFCBLUAD-CVEARBPZSA-N 2 1 358.446 0.226 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccc(C#N)cn3)CC2)CC[N@H+]1C ZINC001096258849 1218195487 /nfs/dbraw/zinc/19/54/87/1218195487.db2.gz IKNRDMYEYQAHEL-SJLPKXTDSA-N 2 1 370.501 0.922 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001226767171 1225853955 /nfs/dbraw/zinc/85/39/55/1225853955.db2.gz SLVZQUXDRVEMIE-KZNAEPCWSA-N 2 1 362.518 0.731 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCC)C[C@@H]2n2ccnn2)CC1 ZINC001070102689 1219177620 /nfs/dbraw/zinc/17/76/20/1219177620.db2.gz VIJOCVPXVMGSIU-MSOLQXFVSA-N 2 1 358.490 0.765 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C[C@@H]1n1ccnn1 ZINC001070260441 1219330825 /nfs/dbraw/zinc/33/08/25/1219330825.db2.gz JPUUUQZEILUXNC-UAGQMJEPSA-N 2 1 353.430 0.020 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001070382829 1219407908 /nfs/dbraw/zinc/40/79/08/1219407908.db2.gz SYMKHIMZBOKZAQ-SCTDSRPQSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070412574 1219409966 /nfs/dbraw/zinc/40/99/66/1219409966.db2.gz DTIWZQYVDUFTOK-HLLBOEOZSA-N 2 1 359.474 0.558 20 30 FCEDMP C#CCC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070412574 1219409967 /nfs/dbraw/zinc/40/99/67/1219409967.db2.gz DTIWZQYVDUFTOK-HLLBOEOZSA-N 2 1 359.474 0.558 20 30 FCEDMP C#CCC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412574 1219409968 /nfs/dbraw/zinc/40/99/68/1219409968.db2.gz DTIWZQYVDUFTOK-HLLBOEOZSA-N 2 1 359.474 0.558 20 30 FCEDMP C#CCC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412574 1219409969 /nfs/dbraw/zinc/40/99/69/1219409969.db2.gz DTIWZQYVDUFTOK-HLLBOEOZSA-N 2 1 359.474 0.558 20 30 FCEDMP CC#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412535 1219410041 /nfs/dbraw/zinc/41/00/41/1219410041.db2.gz CANIVSHXHYBKLY-BFYDXBDKSA-N 2 1 359.474 0.558 20 30 FCEDMP CC#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001070412535 1219410044 /nfs/dbraw/zinc/41/00/44/1219410044.db2.gz CANIVSHXHYBKLY-BFYDXBDKSA-N 2 1 359.474 0.558 20 30 FCEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001070412535 1219410046 /nfs/dbraw/zinc/41/00/46/1219410046.db2.gz CANIVSHXHYBKLY-BFYDXBDKSA-N 2 1 359.474 0.558 20 30 FCEDMP CC#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001070412535 1219410050 /nfs/dbraw/zinc/41/00/50/1219410050.db2.gz CANIVSHXHYBKLY-BFYDXBDKSA-N 2 1 359.474 0.558 20 30 FCEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446122 1219412547 /nfs/dbraw/zinc/41/25/47/1219412547.db2.gz SROSSMZSPQZFBB-FVQBIDKESA-N 2 1 358.490 0.867 20 30 FCEDMP C=CC[NH+]1CC2(C1)CN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H]2c1nnc(C)[nH]1 ZINC001070446122 1219412549 /nfs/dbraw/zinc/41/25/49/1219412549.db2.gz SROSSMZSPQZFBB-FVQBIDKESA-N 2 1 358.490 0.867 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C[C@H]1c1cn(C)cn1 ZINC001070500853 1219441809 /nfs/dbraw/zinc/44/18/09/1219441809.db2.gz LFOIXJXQBSYDHW-UAGQMJEPSA-N 2 1 352.442 0.711 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070525987 1219453531 /nfs/dbraw/zinc/45/35/31/1219453531.db2.gz KSJPEFIJDFQVHC-JQHSSLGASA-N 2 1 361.490 0.599 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001070525987 1219453533 /nfs/dbraw/zinc/45/35/33/1219453533.db2.gz KSJPEFIJDFQVHC-JQHSSLGASA-N 2 1 361.490 0.599 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1cn(C)cn1 ZINC001070547119 1219462228 /nfs/dbraw/zinc/46/22/28/1219462228.db2.gz RIGNIVWIOHFOFI-FUHWJXTLSA-N 2 1 361.490 0.603 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001228623977 1225937080 /nfs/dbraw/zinc/93/70/80/1225937080.db2.gz PBJUPIHPISJLOK-GVDBMIGSSA-N 2 1 362.518 0.873 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CN(C(=O)CCn3ccnc3)C[C@]2(C)C1 ZINC001101317086 1220284477 /nfs/dbraw/zinc/28/44/77/1220284477.db2.gz HIHIMCFEEIFITM-FCEWJHQRSA-N 2 1 357.458 0.191 20 30 FCEDMP CC(C)(C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101320806 1220287448 /nfs/dbraw/zinc/28/74/48/1220287448.db2.gz YXVQNZBZQPCQSS-BEFAXECRSA-N 2 1 361.490 0.281 20 30 FCEDMP CC(C)(C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1)[NH+]1CCCC1 ZINC001101320806 1220287450 /nfs/dbraw/zinc/28/74/50/1220287450.db2.gz YXVQNZBZQPCQSS-BEFAXECRSA-N 2 1 361.490 0.281 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339723 1220293036 /nfs/dbraw/zinc/29/30/36/1220293036.db2.gz CKKIGYMRTKUYLZ-LJCCNALRSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339723 1220293039 /nfs/dbraw/zinc/29/30/39/1220293039.db2.gz CKKIGYMRTKUYLZ-LJCCNALRSA-N 2 1 360.502 0.246 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@]2(C)C1 ZINC001101339723 1220293042 /nfs/dbraw/zinc/29/30/42/1220293042.db2.gz CKKIGYMRTKUYLZ-LJCCNALRSA-N 2 1 360.502 0.246 20 30 FCEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C[C@]2(C)C1 ZINC001101476383 1220367574 /nfs/dbraw/zinc/36/75/74/1220367574.db2.gz QJBOXQHUBYWMIT-UWVAXJGDSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476383 1220367581 /nfs/dbraw/zinc/36/75/81/1220367581.db2.gz QJBOXQHUBYWMIT-UWVAXJGDSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@]2(C)C1 ZINC001101476383 1220367585 /nfs/dbraw/zinc/36/75/85/1220367585.db2.gz QJBOXQHUBYWMIT-UWVAXJGDSA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCN1CC[C@H]([NH+]2C[C@@H]3CN(C(=O)C[N@H+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478243 1220367958 /nfs/dbraw/zinc/36/79/58/1220367958.db2.gz FSOMHAFYHUYLMU-UWVAXJGDSA-N 2 1 362.518 0.894 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478243 1220367964 /nfs/dbraw/zinc/36/79/64/1220367964.db2.gz FSOMHAFYHUYLMU-UWVAXJGDSA-N 2 1 362.518 0.894 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](C)C(C)C)C[C@]3(C)C2)C1=O ZINC001101478243 1220367968 /nfs/dbraw/zinc/36/79/68/1220367968.db2.gz FSOMHAFYHUYLMU-UWVAXJGDSA-N 2 1 362.518 0.894 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC001101981452 1220451528 /nfs/dbraw/zinc/45/15/28/1220451528.db2.gz CEXLZRAIFCBZJG-IAGOWNOFSA-N 2 1 361.490 0.392 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045217 1220475644 /nfs/dbraw/zinc/47/56/44/1220475644.db2.gz XGBRCFQTLSWLPO-KZNAEPCWSA-N 2 1 363.506 0.700 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](C)C1 ZINC001102045217 1220475648 /nfs/dbraw/zinc/47/56/48/1220475648.db2.gz XGBRCFQTLSWLPO-KZNAEPCWSA-N 2 1 363.506 0.700 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)N(CC)CC)C[C@H]1C ZINC001102056163 1220479997 /nfs/dbraw/zinc/47/99/97/1220479997.db2.gz RVWRLUYCJAJQQT-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)N(CC)CC)C[C@H]1C ZINC001102056163 1220480000 /nfs/dbraw/zinc/48/00/00/1220480000.db2.gz RVWRLUYCJAJQQT-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(CC)CC)C[C@H]1C ZINC001102056163 1220480003 /nfs/dbraw/zinc/48/00/03/1220480003.db2.gz RVWRLUYCJAJQQT-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)N(CC)CC)C[C@H]1C ZINC001102056163 1220480006 /nfs/dbraw/zinc/48/00/06/1220480006.db2.gz RVWRLUYCJAJQQT-KURKYZTESA-N 2 1 362.518 0.637 20 30 FCEDMP Cc1c(C(=O)NC[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@H]2C)ccc2c[nH+]cn21 ZINC001102109271 1220500599 /nfs/dbraw/zinc/50/05/99/1220500599.db2.gz BHGMPNSSLBRVPJ-UKRRQHHQSA-N 2 1 368.441 0.580 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001102109433 1220501511 /nfs/dbraw/zinc/50/15/11/1220501511.db2.gz KMQSGYKYBZKCCM-GDBMZVCRSA-N 2 1 367.453 0.690 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](C)C1 ZINC001102515203 1220675079 /nfs/dbraw/zinc/67/50/79/1220675079.db2.gz IOWLLXQOUXNHTA-HUUCEWRRSA-N 2 1 357.458 0.195 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001103085259 1220830714 /nfs/dbraw/zinc/83/07/14/1220830714.db2.gz NWRKXBYIMJYHEL-IXDOHACOSA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103655792 1220931187 /nfs/dbraw/zinc/93/11/87/1220931187.db2.gz BIZYGHHPWRQPFX-FGTMMUONSA-N 2 1 364.534 0.930 20 30 FCEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C[C@H]1C ZINC001104185742 1221017953 /nfs/dbraw/zinc/01/79/53/1221017953.db2.gz MRPABWFSDLXTDM-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001111767103 1221097321 /nfs/dbraw/zinc/09/73/21/1221097321.db2.gz PFPNZCIJKLEQDN-FCEWJHQRSA-N 2 1 366.481 0.386 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001111767103 1221097326 /nfs/dbraw/zinc/09/73/26/1221097326.db2.gz PFPNZCIJKLEQDN-FCEWJHQRSA-N 2 1 366.481 0.386 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111767102 1221097591 /nfs/dbraw/zinc/09/75/91/1221097591.db2.gz PFPNZCIJKLEQDN-BXWFABGCSA-N 2 1 366.481 0.386 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001111767102 1221097593 /nfs/dbraw/zinc/09/75/93/1221097593.db2.gz PFPNZCIJKLEQDN-BXWFABGCSA-N 2 1 366.481 0.386 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778795 1221105180 /nfs/dbraw/zinc/10/51/80/1221105180.db2.gz MJQXKADQACFHBI-FTRWYGJKSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778795 1221105183 /nfs/dbraw/zinc/10/51/83/1221105183.db2.gz MJQXKADQACFHBI-FTRWYGJKSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778795 1221105185 /nfs/dbraw/zinc/10/51/85/1221105185.db2.gz MJQXKADQACFHBI-FTRWYGJKSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001111778796 1221105320 /nfs/dbraw/zinc/10/53/20/1221105320.db2.gz MJQXKADQACFHBI-GUXCAODWSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001111778796 1221105325 /nfs/dbraw/zinc/10/53/25/1221105325.db2.gz MJQXKADQACFHBI-GUXCAODWSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H]2CCC[C@]2(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001111778796 1221105327 /nfs/dbraw/zinc/10/53/27/1221105327.db2.gz MJQXKADQACFHBI-GUXCAODWSA-N 2 1 360.502 0.579 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001119364814 1221906775 /nfs/dbraw/zinc/90/67/75/1221906775.db2.gz SIPJNZPUWFRFIH-QGZVFWFLSA-N 2 1 361.490 0.034 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001119364814 1221906780 /nfs/dbraw/zinc/90/67/80/1221906780.db2.gz SIPJNZPUWFRFIH-QGZVFWFLSA-N 2 1 361.490 0.034 20 30 FCEDMP COCC[N@@H+](C)CCN1C[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1=O ZINC001120604836 1222108333 /nfs/dbraw/zinc/10/83/33/1222108333.db2.gz XFHXJKOBBWYMLB-MSOLQXFVSA-N 2 1 360.458 0.360 20 30 FCEDMP C#CC[N@H+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001158262846 1223092319 /nfs/dbraw/zinc/09/23/19/1223092319.db2.gz XSTQUOAQRJKMFK-QRVBRYPASA-N 2 1 363.502 0.812 20 30 FCEDMP C#CCN(C)C[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC001158262846 1223092323 /nfs/dbraw/zinc/09/23/23/1223092323.db2.gz XSTQUOAQRJKMFK-QRVBRYPASA-N 2 1 363.502 0.812 20 30 FCEDMP C#CCNC(=O)CN1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169744 1223147102 /nfs/dbraw/zinc/14/71/02/1223147102.db2.gz ZZZGOOIXWLUAHF-ZWKOTPCHSA-N 2 1 360.502 0.605 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001160169744 1223147105 /nfs/dbraw/zinc/14/71/05/1223147105.db2.gz ZZZGOOIXWLUAHF-ZWKOTPCHSA-N 2 1 360.502 0.605 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC=C(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001160169744 1223147107 /nfs/dbraw/zinc/14/71/07/1223147107.db2.gz ZZZGOOIXWLUAHF-ZWKOTPCHSA-N 2 1 360.502 0.605 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169744 1223147109 /nfs/dbraw/zinc/14/71/09/1223147109.db2.gz ZZZGOOIXWLUAHF-ZWKOTPCHSA-N 2 1 360.502 0.605 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001160169744 1223147112 /nfs/dbraw/zinc/14/71/12/1223147112.db2.gz ZZZGOOIXWLUAHF-ZWKOTPCHSA-N 2 1 360.502 0.605 20 30 FCEDMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](Cc3cc(C#N)n(C)c3)CC2)C1 ZINC001207104946 1223417680 /nfs/dbraw/zinc/41/76/80/1223417680.db2.gz LQBDAOALWOCTHM-UHFFFAOYSA-N 2 1 373.501 0.899 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070762 1223513070 /nfs/dbraw/zinc/51/30/70/1223513070.db2.gz RDERDZGDJVPURE-BRWVUGGUSA-N 2 1 363.506 0.669 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330049 1223682882 /nfs/dbraw/zinc/68/28/82/1223682882.db2.gz NFBQHTULMRVYFU-HZPDHXFCSA-N 2 1 361.490 0.281 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330049 1223682887 /nfs/dbraw/zinc/68/28/87/1223682887.db2.gz NFBQHTULMRVYFU-HZPDHXFCSA-N 2 1 361.490 0.281 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)[C@H]2C)CC1 ZINC000987467621 1249035094 /nfs/dbraw/zinc/03/50/94/1249035094.db2.gz GOBOQOUUWQPOHL-BPQIPLTHSA-N 2 1 360.502 0.531 20 30 FCEDMP N#Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923280472 1245703732 /nfs/dbraw/zinc/70/37/32/1245703732.db2.gz AWJNOMGHAHISRL-ROUUACIJSA-N 2 1 372.469 0.442 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C3)CC1 ZINC000995929583 1251072910 /nfs/dbraw/zinc/07/29/10/1251072910.db2.gz KUTUHTXVXPPNSR-YDZRNGNQSA-N 2 1 372.513 0.674 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996721662 1251425330 /nfs/dbraw/zinc/42/53/30/1251425330.db2.gz ZGKDTPYZTMWTJW-HYVNUMGLSA-N 2 1 364.490 0.073 20 30 FCEDMP C=CCN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1=O ZINC000996721662 1251425334 /nfs/dbraw/zinc/42/53/34/1251425334.db2.gz ZGKDTPYZTMWTJW-HYVNUMGLSA-N 2 1 364.490 0.073 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOc3ccccc3)C[C@H]2O)CC1 ZINC001078227253 1255340122 /nfs/dbraw/zinc/34/01/22/1255340122.db2.gz QJCXJOABZNHYPM-WOJBJXKFSA-N 2 1 371.481 0.572 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOc3ccccc3)C[C@H]2O)CC1 ZINC001078227253 1255340132 /nfs/dbraw/zinc/34/01/32/1255340132.db2.gz QJCXJOABZNHYPM-WOJBJXKFSA-N 2 1 371.481 0.572 20 30 FCEDMP C#CC[N@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146413 1255459294 /nfs/dbraw/zinc/45/92/94/1255459294.db2.gz KZGPEBOQLYELOV-RTBURBONSA-N 2 1 353.466 0.789 20 30 FCEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001079146413 1255459298 /nfs/dbraw/zinc/45/92/98/1255459298.db2.gz KZGPEBOQLYELOV-RTBURBONSA-N 2 1 353.466 0.789 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001084089513 1257913470 /nfs/dbraw/zinc/91/34/70/1257913470.db2.gz MYROVJJZUUYLOH-UXHICEINSA-N 2 1 366.465 0.565 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC1 ZINC001084089513 1257913475 /nfs/dbraw/zinc/91/34/75/1257913475.db2.gz MYROVJJZUUYLOH-UXHICEINSA-N 2 1 366.465 0.565 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC[C@@H]3CCCCO3)C[C@@H]2O)CC1 ZINC001084090405 1257914683 /nfs/dbraw/zinc/91/46/83/1257914683.db2.gz YQNCDPXCILCZNF-OTWHNJEPSA-N 2 1 363.502 0.452 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cccc(OC)c3)C[C@@H]2O)CC1 ZINC001084090099 1257915891 /nfs/dbraw/zinc/91/58/91/1257915891.db2.gz JZKSCLZLOHSDGX-UXHICEINSA-N 2 1 371.481 0.702 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cccc(OC)c3)C[C@@H]2O)CC1 ZINC001084090099 1257915897 /nfs/dbraw/zinc/91/58/97/1257915897.db2.gz JZKSCLZLOHSDGX-UXHICEINSA-N 2 1 371.481 0.702 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)C1=O ZINC001085093730 1258586852 /nfs/dbraw/zinc/58/68/52/1258586852.db2.gz ZCKJXJRWDDNRAV-BZSNNMDCSA-N 2 1 360.502 0.792 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001106767887 1258958292 /nfs/dbraw/zinc/95/82/92/1258958292.db2.gz YMQSHLGBBDDUSJ-BRWVUGGUSA-N 2 1 366.506 0.084 20 30 FCEDMP C[C@H]1CC[N@@H+](CC(=O)NC[C@]23CCC[C@H]2[NH+](CC(=O)NCC#N)CC3)C1 ZINC001107546507 1259112413 /nfs/dbraw/zinc/11/24/13/1259112413.db2.gz FSRCZODCYYGKKM-FRQCXROJSA-N 2 1 361.490 0.329 20 30 FCEDMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@H+](CC(=O)NCC#N)CC3)C1 ZINC001107546507 1259112419 /nfs/dbraw/zinc/11/24/19/1259112419.db2.gz FSRCZODCYYGKKM-FRQCXROJSA-N 2 1 361.490 0.329 20 30 FCEDMP C[C@H]1CC[NH+](CC(=O)NC[C@]23CCC[C@H]2[N@@H+](CC(=O)NCC#N)CC3)C1 ZINC001107546507 1259112423 /nfs/dbraw/zinc/11/24/23/1259112423.db2.gz FSRCZODCYYGKKM-FRQCXROJSA-N 2 1 361.490 0.329 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CCC)[nH]1 ZINC001130251181 1259376014 /nfs/dbraw/zinc/37/60/14/1259376014.db2.gz HFMXFFLNJJPYPJ-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@@H+](C)CCC)n1 ZINC001130251181 1259376020 /nfs/dbraw/zinc/37/60/20/1259376020.db2.gz HFMXFFLNJJPYPJ-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@H+](C)CCC)n1 ZINC001130251181 1259376024 /nfs/dbraw/zinc/37/60/24/1259376024.db2.gz HFMXFFLNJJPYPJ-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@@H+](C)CCC)n[nH]1 ZINC001130251181 1259376030 /nfs/dbraw/zinc/37/60/30/1259376030.db2.gz HFMXFFLNJJPYPJ-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@H+](C)CCC)n[nH]1 ZINC001130251181 1259376035 /nfs/dbraw/zinc/37/60/35/1259376035.db2.gz HFMXFFLNJJPYPJ-GJZGRUSLSA-N 2 1 364.494 0.801 20 30 FCEDMP COCCOC[N@H+]1C[C@H]2C(=O)NC3(CC[NH+](CCCCC#N)CC3)[C@@H]2C1 ZINC001280186169 1261024598 /nfs/dbraw/zinc/02/45/98/1261024598.db2.gz OXCHXFIRBBSOJC-IAGOWNOFSA-N 2 1 364.490 0.813 20 30 FCEDMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@H](C)CC(=O)N1CC[NH2+]CC1 ZINC001574604467 1271409046 /nfs/dbraw/zinc/40/90/46/1271409046.db2.gz QKYSKJFMWVEWBZ-MRXNPFEDSA-N 2 1 351.495 0.183 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001588351486 1282447686 /nfs/dbraw/zinc/44/76/86/1282447686.db2.gz WTYVLJGWBZMCRE-INIZCTEOSA-N 2 1 371.420 0.309 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001588351486 1282447688 /nfs/dbraw/zinc/44/76/88/1282447688.db2.gz WTYVLJGWBZMCRE-INIZCTEOSA-N 2 1 371.420 0.309 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001692082812 1289388969 /nfs/dbraw/zinc/38/89/69/1289388969.db2.gz IQNHSQHQMQELDY-BBWFWOEESA-N 2 1 358.486 0.000 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001692083301 1289390612 /nfs/dbraw/zinc/39/06/12/1289390612.db2.gz RHFRMPDBFYCPLU-RYRKJORJSA-N 2 1 350.507 0.655 20 30 FCEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001699205207 1289548138 /nfs/dbraw/zinc/54/81/38/1289548138.db2.gz LMULRYPUYREVJW-MSOLQXFVSA-N 2 1 371.485 0.410 20 30 FCEDMP C#CCNC(=O)C[NH+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001699705664 1289562219 /nfs/dbraw/zinc/56/22/19/1289562219.db2.gz NWJGSKLILDDEJF-SQGPQFPESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001699705664 1289562226 /nfs/dbraw/zinc/56/22/26/1289562226.db2.gz NWJGSKLILDDEJF-SQGPQFPESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001699705664 1289562232 /nfs/dbraw/zinc/56/22/32/1289562232.db2.gz NWJGSKLILDDEJF-SQGPQFPESA-N 2 1 360.502 0.391 20 30 FCEDMP C=CCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C2)C1=O ZINC001689021706 1294572785 /nfs/dbraw/zinc/57/27/85/1294572785.db2.gz FSYVVVDCLSMYKS-GVDBMIGSSA-N 2 1 350.507 0.988 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)[C@H]1C ZINC001689312872 1294738694 /nfs/dbraw/zinc/73/86/94/1294738694.db2.gz NZWBNURKCIUOIS-IKGGRYGDSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)[C@H]1C ZINC001689312872 1294738701 /nfs/dbraw/zinc/73/87/01/1294738701.db2.gz NZWBNURKCIUOIS-IKGGRYGDSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001689312872 1294738708 /nfs/dbraw/zinc/73/87/08/1294738708.db2.gz NZWBNURKCIUOIS-IKGGRYGDSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)[C@H]1C ZINC001689312872 1294738715 /nfs/dbraw/zinc/73/87/15/1294738715.db2.gz NZWBNURKCIUOIS-IKGGRYGDSA-N 2 1 350.507 0.990 20 30 FCEDMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001070208900 837634398 /nfs/dbraw/zinc/63/43/98/837634398.db2.gz CSTYSVDZPYXMEU-QLFBSQMISA-N 2 1 352.870 0.712 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@]2(C)C1 ZINC001101437959 844187362 /nfs/dbraw/zinc/18/73/62/844187362.db2.gz YLYQLHJVHCWPQP-APWZRJJASA-N 2 1 350.507 0.801 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469322 844197579 /nfs/dbraw/zinc/19/75/79/844197579.db2.gz LCXDQZOEJOCAPD-AOIWGVFYSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C[C@]2(C)C1 ZINC001101469322 844197584 /nfs/dbraw/zinc/19/75/84/844197584.db2.gz LCXDQZOEJOCAPD-AOIWGVFYSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469322 844197586 /nfs/dbraw/zinc/19/75/86/844197586.db2.gz LCXDQZOEJOCAPD-AOIWGVFYSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](CC)CCO3)C[C@]2(C)C1 ZINC001101469322 844197591 /nfs/dbraw/zinc/19/75/91/844197591.db2.gz LCXDQZOEJOCAPD-AOIWGVFYSA-N 2 1 351.491 0.690 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001102375692 844480750 /nfs/dbraw/zinc/48/07/50/844480750.db2.gz XGVAFWXRIBBXAM-HUUCEWRRSA-N 2 1 351.495 0.288 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001102375692 844480751 /nfs/dbraw/zinc/48/07/51/844480751.db2.gz XGVAFWXRIBBXAM-HUUCEWRRSA-N 2 1 351.495 0.288 20 30 FCEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001102375692 844480752 /nfs/dbraw/zinc/48/07/52/844480752.db2.gz XGVAFWXRIBBXAM-HUUCEWRRSA-N 2 1 351.495 0.288 20 30 FCEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001103111564 844703513 /nfs/dbraw/zinc/70/35/13/844703513.db2.gz BSHYZEBJZBOQGA-NUJGCVRESA-N 2 1 352.523 0.949 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001103612641 844786998 /nfs/dbraw/zinc/78/69/98/844786998.db2.gz NGEDIPBNRDFSRJ-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612641 844787000 /nfs/dbraw/zinc/78/70/00/844787000.db2.gz NGEDIPBNRDFSRJ-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001103612641 844787006 /nfs/dbraw/zinc/78/70/06/844787006.db2.gz NGEDIPBNRDFSRJ-IXDOHACOSA-N 2 1 350.507 0.540 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001103654772 844796105 /nfs/dbraw/zinc/79/61/05/844796105.db2.gz AVPBMMZNTONQSV-IAGOWNOFSA-N 2 1 350.507 0.542 20 30 FCEDMP C=CCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001104908489 844958884 /nfs/dbraw/zinc/95/88/84/844958884.db2.gz ZAJKJSXEWGTNTB-BRWVUGGUSA-N 2 1 350.507 0.705 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001107522489 845389908 /nfs/dbraw/zinc/38/99/08/845389908.db2.gz DGOQTDZKQAKDMO-VQIMIIECSA-N 2 1 350.507 0.991 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C(F)(F)F ZINC001112103727 846383942 /nfs/dbraw/zinc/38/39/42/846383942.db2.gz XSIMTAZREOZRCN-KBUPBQIOSA-N 2 1 361.408 0.955 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[NH+](CC)CC)C[C@H]1C(F)(F)F ZINC001112181903 846441646 /nfs/dbraw/zinc/44/16/46/846441646.db2.gz CXHBQSSEALQRQP-CHWSQXEVSA-N 2 1 364.412 0.609 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198253 846456195 /nfs/dbraw/zinc/45/61/95/846456195.db2.gz KQDZVTNXTXPYDH-CHWSQXEVSA-N 2 1 364.412 0.609 20 30 FCEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C(F)(F)F ZINC001112198253 846456203 /nfs/dbraw/zinc/45/62/03/846456203.db2.gz KQDZVTNXTXPYDH-CHWSQXEVSA-N 2 1 364.412 0.609 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C[N@H+](C)CCC)n1 ZINC001130251330 848988016 /nfs/dbraw/zinc/98/80/16/848988016.db2.gz NUSDQSWHCKXULO-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@@H+](C)CCC)[nH]1 ZINC001130251330 848988021 /nfs/dbraw/zinc/98/80/21/848988021.db2.gz NUSDQSWHCKXULO-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C[N@H+](C)CCC)[nH]1 ZINC001130251330 848988027 /nfs/dbraw/zinc/98/80/27/848988027.db2.gz NUSDQSWHCKXULO-KBPBESRZSA-N 2 1 350.467 0.411 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC#CCOC)CCCO2)CC[N@@H+]1C ZINC001149737916 849646707 /nfs/dbraw/zinc/64/67/07/849646707.db2.gz ABHYEAFACQWVNJ-OKZBNKHCSA-N 2 1 351.491 0.574 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[NH+](CC#CCOC)CCCO2)CC[N@H+]1C ZINC001149737916 849646713 /nfs/dbraw/zinc/64/67/13/849646713.db2.gz ABHYEAFACQWVNJ-OKZBNKHCSA-N 2 1 351.491 0.574 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@H+](CC#CCOC)CCCO2)CC[NH+]1C ZINC001149737916 849646719 /nfs/dbraw/zinc/64/67/19/849646719.db2.gz ABHYEAFACQWVNJ-OKZBNKHCSA-N 2 1 351.491 0.574 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[N@@H+](CC#CCOC)CCCO2)CC[NH+]1C ZINC001149737916 849646726 /nfs/dbraw/zinc/64/67/26/849646726.db2.gz ABHYEAFACQWVNJ-OKZBNKHCSA-N 2 1 351.491 0.574 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160857729 850208099 /nfs/dbraw/zinc/20/80/99/850208099.db2.gz NWSZTFDJQQOSGD-HZPDHXFCSA-N 2 1 352.479 0.002 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160857729 850208106 /nfs/dbraw/zinc/20/81/06/850208106.db2.gz NWSZTFDJQQOSGD-HZPDHXFCSA-N 2 1 352.479 0.002 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCCC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001170878785 850670010 /nfs/dbraw/zinc/67/00/10/850670010.db2.gz QRFJJCMRMTUOQT-OWCLPIDISA-N 2 1 351.495 0.621 20 30 FCEDMP C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001183043639 851222476 /nfs/dbraw/zinc/22/24/76/851222476.db2.gz VHKNRUJBQZPULX-QZTJIDSGSA-N 2 1 351.491 0.834 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190177537 851870948 /nfs/dbraw/zinc/87/09/48/851870948.db2.gz OISRYTVPLXFSFU-FGTMMUONSA-N 2 1 351.491 0.690 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001190177537 851870953 /nfs/dbraw/zinc/87/09/53/851870953.db2.gz OISRYTVPLXFSFU-FGTMMUONSA-N 2 1 351.491 0.690 20 30 FCEDMP CS(=O)(=O)O[C@H]1C[NH2+][C@H](c2nc(-c3ccc4c(n3)CC[NH2+]C4)no2)C1 ZINC001205774442 853635381 /nfs/dbraw/zinc/63/53/81/853635381.db2.gz FUVATBPTDRFRHX-MFKMUULPSA-N 2 1 365.415 0.157 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208676323 853965614 /nfs/dbraw/zinc/96/56/14/853965614.db2.gz MQNKMUNOAIQDLF-BZUAXINKSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001208676323 853965618 /nfs/dbraw/zinc/96/56/18/853965618.db2.gz MQNKMUNOAIQDLF-BZUAXINKSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001208676323 853965620 /nfs/dbraw/zinc/96/56/20/853965620.db2.gz MQNKMUNOAIQDLF-BZUAXINKSA-N 2 1 350.507 0.539 20 30 FCEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001208676323 853965624 /nfs/dbraw/zinc/96/56/24/853965624.db2.gz MQNKMUNOAIQDLF-BZUAXINKSA-N 2 1 350.507 0.539 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211326506 854177105 /nfs/dbraw/zinc/17/71/05/854177105.db2.gz QPMXCMMUYBYHLM-IXDOHACOSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001211326506 854177111 /nfs/dbraw/zinc/17/71/11/854177111.db2.gz QPMXCMMUYBYHLM-IXDOHACOSA-N 2 1 350.507 0.990 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H](OC)C1 ZINC001212453321 854485470 /nfs/dbraw/zinc/48/54/70/854485470.db2.gz RXIBWJWFNTXBOS-IAGOWNOFSA-N 2 1 351.491 0.880 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC[C@@H](C)O)C[C@H]2OC)CC1 ZINC001213914786 854821761 /nfs/dbraw/zinc/82/17/61/854821761.db2.gz WTOQUIFJCSWEGB-KBAYOESNSA-N 2 1 351.491 0.308 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)CC)C1 ZINC001214880873 855028161 /nfs/dbraw/zinc/02/81/61/855028161.db2.gz XSPRKYUHXIRMES-ZACQAIPSSA-N 2 1 369.531 0.345 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CCCS(=O)(=O)CC)C1 ZINC001214880873 855028163 /nfs/dbraw/zinc/02/81/63/855028163.db2.gz XSPRKYUHXIRMES-ZACQAIPSSA-N 2 1 369.531 0.345 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216516081 855210785 /nfs/dbraw/zinc/21/07/85/855210785.db2.gz ZCKZEODWUHTBQS-IAGOWNOFSA-N 2 1 350.507 0.965 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)CC3CC[NH+](C)CC3)[C@H]2C1 ZINC001218722462 855470682 /nfs/dbraw/zinc/47/06/82/855470682.db2.gz CFWKUQYIBUZISQ-ZWKOTPCHSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[N@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826826 855484102 /nfs/dbraw/zinc/48/41/02/855484102.db2.gz ZSYABPVWAFGZAZ-ZWKOTPCHSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@H]2OCCN(C(=O)C[NH+]3CCC(C)CC3)[C@H]2C1 ZINC001218826826 855484105 /nfs/dbraw/zinc/48/41/05/855484105.db2.gz ZSYABPVWAFGZAZ-ZWKOTPCHSA-N 2 1 351.491 0.833 20 30 FCEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794788 855816146 /nfs/dbraw/zinc/81/61/46/855816146.db2.gz OOVYOMBFMRGALQ-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794788 855816150 /nfs/dbraw/zinc/81/61/50/855816150.db2.gz OOVYOMBFMRGALQ-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001219794788 855816154 /nfs/dbraw/zinc/81/61/54/855816154.db2.gz OOVYOMBFMRGALQ-SQNIBIBYSA-N 2 1 351.491 0.757 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@@H+](C)CCC)[C@@H]2C1 ZINC001221968603 856753285 /nfs/dbraw/zinc/75/32/85/856753285.db2.gz UJYCSZBUGFJCSP-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001221968603 856753294 /nfs/dbraw/zinc/75/32/94/856753294.db2.gz UJYCSZBUGFJCSP-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968603 856753299 /nfs/dbraw/zinc/75/32/99/856753299.db2.gz UJYCSZBUGFJCSP-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001221968603 856753304 /nfs/dbraw/zinc/75/33/04/856753304.db2.gz UJYCSZBUGFJCSP-BRWVUGGUSA-N 2 1 350.507 0.942 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001228167152 857194629 /nfs/dbraw/zinc/19/46/29/857194629.db2.gz GXYRXVKVFONGSB-KURKYZTESA-N 2 1 351.491 0.762 20 30 FCEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001228167152 857194630 /nfs/dbraw/zinc/19/46/30/857194630.db2.gz GXYRXVKVFONGSB-KURKYZTESA-N 2 1 351.491 0.762 20 30 FCEDMP C=C(C)COCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC001323604700 869274746 /nfs/dbraw/zinc/27/47/46/869274746.db2.gz YANFZYZBDUDOOO-UHFFFAOYSA-N 2 1 354.495 0.180 20 30 FCEDMP C=C(C)COCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC001323604700 869274758 /nfs/dbraw/zinc/27/47/58/869274758.db2.gz YANFZYZBDUDOOO-UHFFFAOYSA-N 2 1 354.495 0.180 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)N1CCCc2ccccc21 ZINC000104178363 229161813 /nfs/dbraw/zinc/16/18/13/229161813.db2.gz PQXFTANXNNZAKV-UHFFFAOYSA-N 2 1 359.474 0.592 20 30 FCEDMP [NH2+]=C(NCCCNC(=O)c1cccs1)NCCC[NH+]1CCOCC1 ZINC000264243411 229327605 /nfs/dbraw/zinc/32/76/05/229327605.db2.gz FPJFBUQNPGRHRQ-UHFFFAOYSA-N 2 1 353.492 0.495 20 30 FCEDMP CC1CCC2(CC1)OC[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)O2 ZINC000305859547 488893926 /nfs/dbraw/zinc/89/39/26/488893926.db2.gz WZYVWIHHNOLBKB-UPTPFMHGSA-N 2 1 354.495 0.935 20 30 FCEDMP C[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000329540671 489014421 /nfs/dbraw/zinc/01/44/21/489014421.db2.gz NCQCPYKDCNYEAJ-CGTJXYLNSA-N 2 1 368.522 0.667 20 30 FCEDMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000330138237 489072857 /nfs/dbraw/zinc/07/28/57/489072857.db2.gz VJYSLLJDZMADEC-HNNXBMFYSA-N 2 1 369.535 0.188 20 30 FCEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000330138237 489072859 /nfs/dbraw/zinc/07/28/59/489072859.db2.gz VJYSLLJDZMADEC-HNNXBMFYSA-N 2 1 369.535 0.188 20 30 FCEDMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000330173173 489076090 /nfs/dbraw/zinc/07/60/90/489076090.db2.gz HCLGBNDFSZHAQK-ZACQAIPSSA-N 2 1 353.511 0.114 20 30 FCEDMP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000330206369 489080907 /nfs/dbraw/zinc/08/09/07/489080907.db2.gz DEWIGKOEZUGJFK-IRXDYDNUSA-N 2 1 367.538 0.721 20 30 FCEDMP COCC[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000330220749 489081440 /nfs/dbraw/zinc/08/14/40/489081440.db2.gz KZZXPNOGLREMHF-SJORKVTESA-N 2 1 354.495 0.542 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371344572 489478594 /nfs/dbraw/zinc/47/85/94/489478594.db2.gz LVYNLUINHJWDLB-MRXNPFEDSA-N 2 1 365.522 0.877 20 30 FCEDMP CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507427989 490221744 /nfs/dbraw/zinc/22/17/44/490221744.db2.gz YVCXQCMTMKIWQH-BEFAXECRSA-N 2 1 365.522 0.819 20 30 FCEDMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)Nc1ccccc1C#N ZINC000512247997 490667867 /nfs/dbraw/zinc/66/78/67/490667867.db2.gz COVRDJRUQCDIDO-QGZVFWFLSA-N 2 1 373.501 0.865 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000561441268 491609331 /nfs/dbraw/zinc/60/93/31/491609331.db2.gz QYKPWJDAFVZCAZ-KRWDZBQOSA-N 2 1 350.507 0.942 20 30 FCEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000561441268 491609332 /nfs/dbraw/zinc/60/93/32/491609332.db2.gz QYKPWJDAFVZCAZ-KRWDZBQOSA-N 2 1 350.507 0.942 20 30 FCEDMP C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccnn1-c1cc[nH+]cc1 ZINC000615156004 492076258 /nfs/dbraw/zinc/07/62/58/492076258.db2.gz BNYCCJIKQRUYAZ-UHFFFAOYSA-N 2 1 369.429 0.900 20 30 FCEDMP O=C(NCC#CCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[C@H]1CCC[NH+]1C1CC1 ZINC000683869565 493375453 /nfs/dbraw/zinc/37/54/53/493375453.db2.gz QWDRXWWFBDZPNM-HDICACEKSA-N 2 1 358.486 0.476 20 30 FCEDMP O=C(NCC#CCNC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000683869565 493375457 /nfs/dbraw/zinc/37/54/57/493375457.db2.gz QWDRXWWFBDZPNM-HDICACEKSA-N 2 1 358.486 0.476 20 30 FCEDMP O=C(NCC#CCNC(=O)[C@@H]1CCC[NH+]1C1CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000683869565 493375458 /nfs/dbraw/zinc/37/54/58/493375458.db2.gz QWDRXWWFBDZPNM-HDICACEKSA-N 2 1 358.486 0.476 20 30 FCEDMP C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000679508407 493684480 /nfs/dbraw/zinc/68/44/80/493684480.db2.gz LERBOWHWRLYJIB-UHFFFAOYSA-N 2 1 354.414 0.972 20 30 FCEDMP [NH2+]=C(NC[C@@H]1CN2CCN1CC2)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000262765514 534834119 /nfs/dbraw/zinc/83/41/19/534834119.db2.gz HDLRDKAVXVZWEU-LJQANCHMSA-N 2 1 356.518 0.555 20 30 FCEDMP CC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000262567072 527810913 /nfs/dbraw/zinc/81/09/13/527810913.db2.gz LXTFPJNLKYEMDQ-HZPDHXFCSA-N 2 1 351.495 0.227 20 30 FCEDMP CCC[N@H+]1CC[C@H](CNC(=[NH+]C)N2CCN(c3cnn(C)c3)C(=O)C2)C1 ZINC000261689757 528256373 /nfs/dbraw/zinc/25/63/73/528256373.db2.gz IJSMJTAMKJBILL-OAHLLOKOSA-N 2 1 361.494 0.376 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)NCc1ccccc1 ZINC000264133524 529074441 /nfs/dbraw/zinc/07/44/41/529074441.db2.gz YWLVIXSPDOVLMG-MRXNPFEDSA-N 2 1 367.519 0.495 20 30 FCEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(NS(C)(=O)=O)cc1 ZINC000264085804 529074537 /nfs/dbraw/zinc/07/45/37/529074537.db2.gz JRRJWCWJUOTKTN-OAHLLOKOSA-N 2 1 353.492 0.947 20 30 FCEDMP CC[N@H+]1CCC[C@H]1CNC(NCC1CCN(S(C)(=O)=O)CC1)=[NH+]C ZINC000073660507 667479512 /nfs/dbraw/zinc/47/95/12/667479512.db2.gz WKWWZOCVNOZEHA-HNNXBMFYSA-N 2 1 359.540 0.307 20 30 FCEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNc1ccc([N+](=O)[O-])cc1 ZINC000104157079 673675676 /nfs/dbraw/zinc/67/56/76/673675676.db2.gz VFTAEQMOQPUMNM-UHFFFAOYSA-N 2 1 350.423 0.633 20 30 FCEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001167093529 1168168446 /nfs/dbraw/zinc/16/84/46/1168168446.db2.gz OPIMPMUSOSOGSO-MSOLQXFVSA-N 2 1 358.486 0.730 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1 ZINC001104306097 1169872816 /nfs/dbraw/zinc/87/28/16/1169872816.db2.gz KQDDBFJNQBOIMU-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NC(C)C)C1 ZINC001104306097 1169872818 /nfs/dbraw/zinc/87/28/18/1169872818.db2.gz KQDDBFJNQBOIMU-KURKYZTESA-N 2 1 362.518 0.683 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncn2C)C1 ZINC001104306034 1169873403 /nfs/dbraw/zinc/87/34/03/1169873403.db2.gz HFIXRWQNEIQARK-ZACQAIPSSA-N 2 1 358.490 0.487 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nncn2C)C1 ZINC001104306034 1169873404 /nfs/dbraw/zinc/87/34/04/1169873404.db2.gz HFIXRWQNEIQARK-ZACQAIPSSA-N 2 1 358.490 0.487 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691278625 1171023023 /nfs/dbraw/zinc/02/30/23/1171023023.db2.gz KKOOQEOCUSOVRT-KSZLIROESA-N 2 1 361.490 0.601 20 30 FCEDMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001691278625 1171023029 /nfs/dbraw/zinc/02/30/29/1171023029.db2.gz KKOOQEOCUSOVRT-KSZLIROESA-N 2 1 361.490 0.601 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001104932929 1183006877 /nfs/dbraw/zinc/00/68/77/1183006877.db2.gz VYAXKKFOWLNGBP-FGTMMUONSA-N 2 1 364.534 0.930 20 30 FCEDMP C=CCCC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218332433 1224154307 /nfs/dbraw/zinc/15/43/07/1224154307.db2.gz INVSACPGXCQPIS-KZIZELGASA-N 2 1 361.486 0.727 20 30 FCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218332433 1224154309 /nfs/dbraw/zinc/15/43/09/1224154309.db2.gz INVSACPGXCQPIS-KZIZELGASA-N 2 1 361.486 0.727 20 30 FCEDMP C=CCCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001218332433 1224154310 /nfs/dbraw/zinc/15/43/10/1224154310.db2.gz INVSACPGXCQPIS-KZIZELGASA-N 2 1 361.486 0.727 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[N@@H+]1C ZINC001083474317 1193907304 /nfs/dbraw/zinc/90/73/04/1193907304.db2.gz ABPUYSCLILICLM-MANSERQUSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[N@H+]1C ZINC001083474317 1193907308 /nfs/dbraw/zinc/90/73/08/1193907308.db2.gz ABPUYSCLILICLM-MANSERQUSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083474317 1193907311 /nfs/dbraw/zinc/90/73/11/1193907311.db2.gz ABPUYSCLILICLM-MANSERQUSA-N 2 1 356.470 0.950 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@@H]2O)CC[NH+]1C ZINC001083474317 1193907314 /nfs/dbraw/zinc/90/73/14/1193907314.db2.gz ABPUYSCLILICLM-MANSERQUSA-N 2 1 356.470 0.950 20 30 FCEDMP C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)C1=O ZINC001076047856 1194273180 /nfs/dbraw/zinc/27/31/80/1194273180.db2.gz HRICYFHJFMQEJS-YESZJQIVSA-N 2 1 357.458 0.511 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCN(C(=O)Cn4c[nH+]cc4C)[C@@H]3C2)C1=O ZINC001076047856 1194273191 /nfs/dbraw/zinc/27/31/91/1194273191.db2.gz HRICYFHJFMQEJS-YESZJQIVSA-N 2 1 357.458 0.511 20 30 FCEDMP CC(C)(C)[NH2+]C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)N(CCCC#N)C2=O)C1 ZINC001276794479 1224210587 /nfs/dbraw/zinc/21/05/87/1224210587.db2.gz KRRUREPKFZQMAT-DNVCBOLYSA-N 2 1 364.490 0.880 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCn4cncn4)C[C@H]32)CC1 ZINC001076605794 1194593694 /nfs/dbraw/zinc/59/36/94/1194593694.db2.gz TUZWDSHWTMZOIZ-ZWKOTPCHSA-N 2 1 356.474 0.156 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001077125374 1195250246 /nfs/dbraw/zinc/25/02/46/1195250246.db2.gz TXFOPOXEMWIMKV-FJIDUMEYSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001077125374 1195250252 /nfs/dbraw/zinc/25/02/52/1195250252.db2.gz TXFOPOXEMWIMKV-FJIDUMEYSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001077125374 1195250257 /nfs/dbraw/zinc/25/02/57/1195250257.db2.gz TXFOPOXEMWIMKV-FJIDUMEYSA-N 2 1 362.518 0.825 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001077125374 1195250264 /nfs/dbraw/zinc/25/02/64/1195250264.db2.gz TXFOPOXEMWIMKV-FJIDUMEYSA-N 2 1 362.518 0.825 20 30 FCEDMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1C#N ZINC000912536395 1196349767 /nfs/dbraw/zinc/34/97/67/1196349767.db2.gz UZMHMUXGXSOEME-IKGGRYGDSA-N 2 1 361.490 0.518 20 30 FCEDMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C#N)C1 ZINC000912536395 1196349773 /nfs/dbraw/zinc/34/97/73/1196349773.db2.gz UZMHMUXGXSOEME-IKGGRYGDSA-N 2 1 361.490 0.518 20 30 FCEDMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H](C#N)C1 ZINC000912536395 1196349777 /nfs/dbraw/zinc/34/97/77/1196349777.db2.gz UZMHMUXGXSOEME-IKGGRYGDSA-N 2 1 361.490 0.518 20 30 FCEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001106246517 1197779218 /nfs/dbraw/zinc/77/92/18/1197779218.db2.gz MPKNARGHNXNYTK-KZNAEPCWSA-N 2 1 363.506 0.700 20 30 FCEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]ccn32)C[C@H]1C ZINC001106249441 1197782176 /nfs/dbraw/zinc/78/21/76/1197782176.db2.gz HTIKIDXPKWNAOM-BZUAXINKSA-N 2 1 357.458 0.194 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[N@@H+]1C ZINC001083726955 1197829238 /nfs/dbraw/zinc/82/92/38/1197829238.db2.gz DAIHLYWUTHNZOA-FZDIXFNVSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[N@H+]1C ZINC001083726955 1197829240 /nfs/dbraw/zinc/82/92/40/1197829240.db2.gz DAIHLYWUTHNZOA-FZDIXFNVSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083726955 1197829242 /nfs/dbraw/zinc/82/92/42/1197829242.db2.gz DAIHLYWUTHNZOA-FZDIXFNVSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@@H]2O)CC[NH+]1C ZINC001083726955 1197829245 /nfs/dbraw/zinc/82/92/45/1197829245.db2.gz DAIHLYWUTHNZOA-FZDIXFNVSA-N 2 1 356.470 0.950 20 30 FCEDMP CCC[N@H+]1CCC[C@H](C(=O)N2C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C2)C1 ZINC001106570968 1198016307 /nfs/dbraw/zinc/01/63/07/1198016307.db2.gz HHYDXBRMJYBBLU-IXDOHACOSA-N 2 1 363.506 0.432 20 30 FCEDMP C#CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C2 ZINC001109798278 1200521484 /nfs/dbraw/zinc/52/14/84/1200521484.db2.gz CSTXYPXKQMTZJJ-VSZNYVQBSA-N 2 1 360.502 0.720 20 30 FCEDMP C=CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cn1cc[nH+]c1C)C2 ZINC001112579449 1200818866 /nfs/dbraw/zinc/81/88/66/1200818866.db2.gz ODCFLCINRZEGIY-LPHOPBHVSA-N 2 1 359.474 0.712 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896034 1201430050 /nfs/dbraw/zinc/43/00/50/1201430050.db2.gz OKGNZGIXWZBTOS-KURKYZTESA-N 2 1 358.490 0.621 20 30 FCEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C[C@@H]1n1ccnn1 ZINC001129896238 1201430736 /nfs/dbraw/zinc/43/07/36/1201430736.db2.gz VDSIMMXVAFWUAL-KSZLIROESA-N 2 1 358.490 0.621 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2([NH+](C)C)CCC2)[nH]1 ZINC001130216178 1201547074 /nfs/dbraw/zinc/54/70/74/1201547074.db2.gz PUSIXXJJJXFATH-KBPBESRZSA-N 2 1 360.462 0.001 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)C(C)(C)[N@H+](C)CC)n1 ZINC001130220765 1201550630 /nfs/dbraw/zinc/55/06/30/1201550630.db2.gz LCSDYXVXIDBWAL-KBPBESRZSA-N 2 1 362.478 0.247 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)[N@@H+](C)CC)[nH]1 ZINC001130220765 1201550635 /nfs/dbraw/zinc/55/06/35/1201550635.db2.gz LCSDYXVXIDBWAL-KBPBESRZSA-N 2 1 362.478 0.247 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C(C)(C)[N@H+](C)CC)[nH]1 ZINC001130220765 1201550640 /nfs/dbraw/zinc/55/06/40/1201550640.db2.gz LCSDYXVXIDBWAL-KBPBESRZSA-N 2 1 362.478 0.247 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001130306931 1201581767 /nfs/dbraw/zinc/58/17/67/1201581767.db2.gz FUXVZRGNEPXESR-XLIONFOSSA-N 2 1 362.518 0.827 20 30 FCEDMP C=CCCCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034332 1224733913 /nfs/dbraw/zinc/73/39/13/1224733913.db2.gz RHRPBITZNDZRBA-PBIMCDDKSA-N 2 1 363.502 0.757 20 30 FCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034332 1224733919 /nfs/dbraw/zinc/73/39/19/1224733919.db2.gz RHRPBITZNDZRBA-PBIMCDDKSA-N 2 1 363.502 0.757 20 30 FCEDMP C=CCCCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001220034332 1224733923 /nfs/dbraw/zinc/73/39/23/1224733923.db2.gz RHRPBITZNDZRBA-PBIMCDDKSA-N 2 1 363.502 0.757 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555401 1202715705 /nfs/dbraw/zinc/71/57/05/1202715705.db2.gz AWYCEMRTHPTYPW-CGTJXYLNSA-N 2 1 361.490 0.601 20 30 FCEDMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555401 1202715707 /nfs/dbraw/zinc/71/57/07/1202715707.db2.gz AWYCEMRTHPTYPW-CGTJXYLNSA-N 2 1 361.490 0.601 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCF)C1 ZINC001130610658 1202729920 /nfs/dbraw/zinc/72/99/20/1202729920.db2.gz POZKMKBWINXPEL-JQHSSLGASA-N 2 1 361.465 0.761 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCCF)C1 ZINC001130610658 1202729924 /nfs/dbraw/zinc/72/99/24/1202729924.db2.gz POZKMKBWINXPEL-JQHSSLGASA-N 2 1 361.465 0.761 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615106 1202731943 /nfs/dbraw/zinc/73/19/43/1202731943.db2.gz LMRARSNNPFTWKU-CYGHRXIMSA-N 2 1 359.474 0.047 20 30 FCEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615106 1202731945 /nfs/dbraw/zinc/73/19/45/1202731945.db2.gz LMRARSNNPFTWKU-CYGHRXIMSA-N 2 1 359.474 0.047 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[N@H+](C)C3CCC3)n2)O1 ZINC001130790426 1202799678 /nfs/dbraw/zinc/79/96/78/1202799678.db2.gz ZJZBXMFEAWNONF-LSDHHAIUSA-N 2 1 360.462 0.348 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)C[C@H]3CC[N@H+](C)C3)n2)O1 ZINC001130816382 1202807298 /nfs/dbraw/zinc/80/72/98/1202807298.db2.gz UIRODRCIRIDYDJ-QLFBSQMISA-N 2 1 360.462 0.206 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@@H+](C)C3)n[nH]2)O1 ZINC001130816382 1202807299 /nfs/dbraw/zinc/80/72/99/1202807299.db2.gz UIRODRCIRIDYDJ-QLFBSQMISA-N 2 1 360.462 0.206 20 30 FCEDMP C#CC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)C[C@H]3CC[N@H+](C)C3)n[nH]2)O1 ZINC001130816382 1202807303 /nfs/dbraw/zinc/80/73/03/1202807303.db2.gz UIRODRCIRIDYDJ-QLFBSQMISA-N 2 1 360.462 0.206 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC001086720811 1203019250 /nfs/dbraw/zinc/01/92/50/1203019250.db2.gz PQCZZDMOFKYNFW-BBWFWOEESA-N 2 1 358.490 0.770 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC001086720811 1203019252 /nfs/dbraw/zinc/01/92/52/1203019252.db2.gz PQCZZDMOFKYNFW-BBWFWOEESA-N 2 1 358.490 0.770 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1c1ccc(OC)cc1 ZINC001090882395 1203330175 /nfs/dbraw/zinc/33/01/75/1203330175.db2.gz DSBIWMFIJLMJET-VQTJNVASSA-N 2 1 371.481 0.935 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)C2)C1 ZINC001147591550 1204800971 /nfs/dbraw/zinc/80/09/71/1204800971.db2.gz ZQORGHJAQZTNMZ-YESZJQIVSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147591550 1204800973 /nfs/dbraw/zinc/80/09/73/1204800973.db2.gz ZQORGHJAQZTNMZ-YESZJQIVSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001147591550 1204800975 /nfs/dbraw/zinc/80/09/75/1204800975.db2.gz ZQORGHJAQZTNMZ-YESZJQIVSA-N 2 1 362.518 0.942 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993910 1204884997 /nfs/dbraw/zinc/88/49/97/1204884997.db2.gz ZDTMRHMJTLSJCP-KSZLIROESA-N 2 1 359.474 0.047 20 30 FCEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086993910 1204884999 /nfs/dbraw/zinc/88/49/99/1204884999.db2.gz ZDTMRHMJTLSJCP-KSZLIROESA-N 2 1 359.474 0.047 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@]3(C)C2)CC1 ZINC001092299585 1205233624 /nfs/dbraw/zinc/23/36/24/1205233624.db2.gz CFMGVHNWPBHAFT-UWVAXJGDSA-N 2 1 358.486 0.000 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@H]1C ZINC001092689893 1205348543 /nfs/dbraw/zinc/34/85/43/1205348543.db2.gz QKVPVENHCSWOIV-LMMKCTJWSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCc2ccnn2C)C[C@H]1C ZINC001092689893 1205348545 /nfs/dbraw/zinc/34/85/45/1205348545.db2.gz QKVPVENHCSWOIV-LMMKCTJWSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1C ZINC001092689893 1205348548 /nfs/dbraw/zinc/34/85/48/1205348548.db2.gz QKVPVENHCSWOIV-LMMKCTJWSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCc2ccnn2C)C[C@H]1C ZINC001092689893 1205348552 /nfs/dbraw/zinc/34/85/52/1205348552.db2.gz QKVPVENHCSWOIV-LMMKCTJWSA-N 2 1 357.502 0.744 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2C)CC1 ZINC001093224485 1206062736 /nfs/dbraw/zinc/06/27/36/1206062736.db2.gz YSAMMZRBHVEPOY-SJLPKXTDSA-N 2 1 358.490 0.307 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149620 1206132015 /nfs/dbraw/zinc/13/20/15/1206132015.db2.gz RNDMLMKTXOVJMX-MHORFTMASA-N 2 1 360.502 0.722 20 30 FCEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+]1CCCC1)C2 ZINC001110149620 1206132018 /nfs/dbraw/zinc/13/20/18/1206132018.db2.gz RNDMLMKTXOVJMX-MHORFTMASA-N 2 1 360.502 0.722 20 30 FCEDMP N#CC1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC001220643485 1224983432 /nfs/dbraw/zinc/98/34/32/1224983432.db2.gz HNMRZSDLVVEQST-GOSISDBHSA-N 2 1 355.486 0.988 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)[C@@H]2C1 ZINC001189317229 1207532054 /nfs/dbraw/zinc/53/20/54/1207532054.db2.gz KTSPARPMXIPMIV-RYQLBKOJSA-N 2 1 362.518 0.942 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176946 1207658198 /nfs/dbraw/zinc/65/81/98/1207658198.db2.gz KQBNTMKPMSIYSO-ZWKOTPCHSA-N 2 1 360.502 0.816 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001190176946 1207658204 /nfs/dbraw/zinc/65/82/04/1207658204.db2.gz KQBNTMKPMSIYSO-ZWKOTPCHSA-N 2 1 360.502 0.816 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190239185 1207667306 /nfs/dbraw/zinc/66/73/06/1207667306.db2.gz RSPAVOCTMHQEIW-IXDOHACOSA-N 2 1 363.506 0.621 20 30 FCEDMP CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190239185 1207667308 /nfs/dbraw/zinc/66/73/08/1207667308.db2.gz RSPAVOCTMHQEIW-IXDOHACOSA-N 2 1 363.506 0.621 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190239185 1207667309 /nfs/dbraw/zinc/66/73/09/1207667309.db2.gz RSPAVOCTMHQEIW-IXDOHACOSA-N 2 1 363.506 0.621 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190239185 1207667310 /nfs/dbraw/zinc/66/73/10/1207667310.db2.gz RSPAVOCTMHQEIW-IXDOHACOSA-N 2 1 363.506 0.621 20 30 FCEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574388 1208479308 /nfs/dbraw/zinc/47/93/08/1208479308.db2.gz KNYUAPKYAMVESB-NXHRZFHOSA-N 2 1 359.474 0.430 20 30 FCEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001110574388 1208479309 /nfs/dbraw/zinc/47/93/09/1208479309.db2.gz KNYUAPKYAMVESB-NXHRZFHOSA-N 2 1 359.474 0.430 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000883667722 1210683762 /nfs/dbraw/zinc/68/37/62/1210683762.db2.gz CZPNDVYQKAXTMI-GOSISDBHSA-N 2 1 365.522 0.037 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000883667722 1210683769 /nfs/dbraw/zinc/68/37/69/1210683769.db2.gz CZPNDVYQKAXTMI-GOSISDBHSA-N 2 1 365.522 0.037 20 30 FCEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000883667722 1210683772 /nfs/dbraw/zinc/68/37/72/1210683772.db2.gz CZPNDVYQKAXTMI-GOSISDBHSA-N 2 1 365.522 0.037 20 30 FCEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000884138730 1210716752 /nfs/dbraw/zinc/71/67/52/1210716752.db2.gz XBAFNLODTRLOAB-QGZVFWFLSA-N 2 1 363.506 0.326 20 30 FCEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000884138730 1210716754 /nfs/dbraw/zinc/71/67/54/1210716754.db2.gz XBAFNLODTRLOAB-QGZVFWFLSA-N 2 1 363.506 0.326 20 30 FCEDMP Cn1cc(C[N@@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cc1C#N ZINC001275455818 1211241685 /nfs/dbraw/zinc/24/16/85/1211241685.db2.gz QDXUKYUNKIRBMJ-LJQANCHMSA-N 2 1 359.474 0.509 20 30 FCEDMP Cn1cc(C[N@H+]2CCOC[C@]3(CC(=O)N(CC[NH+](C)C)C3)C2)cc1C#N ZINC001275455818 1211241687 /nfs/dbraw/zinc/24/16/87/1211241687.db2.gz QDXUKYUNKIRBMJ-LJQANCHMSA-N 2 1 359.474 0.509 20 30 FCEDMP N#Cc1cccc(CN2CC3(C[NH+](CC4CC[NH2+]CC4)C3)OCC2=O)c1 ZINC001275736856 1211278793 /nfs/dbraw/zinc/27/87/93/1211278793.db2.gz HYDBCSHTZDFPFB-UHFFFAOYSA-N 2 1 354.454 0.971 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@H]2C)CC1 ZINC000949216112 1212327935 /nfs/dbraw/zinc/32/79/35/1212327935.db2.gz NGTGYCMHSCTTCZ-CRAIPNDOSA-N 2 1 371.485 0.500 20 30 FCEDMP COC[C@H](C)NC(=[NH2+])NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000304763159 1213491813 /nfs/dbraw/zinc/49/18/13/1213491813.db2.gz WNEIHCQCKVXLRV-WMLDXEAASA-N 2 1 361.490 0.823 20 30 FCEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069926979 1216847898 /nfs/dbraw/zinc/84/78/98/1216847898.db2.gz CMDYWFGQFWNDSR-SJORKVTESA-N 2 1 358.490 0.907 20 30 FCEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](n2ccnn2)C1 ZINC001069926979 1216847899 /nfs/dbraw/zinc/84/78/99/1216847899.db2.gz CMDYWFGQFWNDSR-SJORKVTESA-N 2 1 358.490 0.907 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505597 1225711407 /nfs/dbraw/zinc/71/14/07/1225711407.db2.gz JVAORIGHBYYAMJ-SJORKVTESA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[NH+]1CC[C@@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505597 1225711413 /nfs/dbraw/zinc/71/14/13/1225711413.db2.gz JVAORIGHBYYAMJ-SJORKVTESA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505597 1225711416 /nfs/dbraw/zinc/71/14/16/1225711416.db2.gz JVAORIGHBYYAMJ-SJORKVTESA-N 2 1 362.518 0.943 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@@H]21 ZINC001223505597 1225711420 /nfs/dbraw/zinc/71/14/20/1225711420.db2.gz JVAORIGHBYYAMJ-SJORKVTESA-N 2 1 362.518 0.943 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CC[N@H+](C[C@H](O)COC)[C@H]3C2)CC1 ZINC001224227035 1225766514 /nfs/dbraw/zinc/76/65/14/1225766514.db2.gz CIBFXVDRKNXRIG-NEWSRXKRSA-N 2 1 363.502 0.262 20 30 FCEDMP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccc(C#N)nc3)CC2)CC[N@H+]1C ZINC001096258964 1218195881 /nfs/dbraw/zinc/19/58/81/1218195881.db2.gz KKLVPLKWJWIMOJ-VQIMIIECSA-N 2 1 370.501 0.922 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCCC2)CC1 ZINC001096605470 1218575750 /nfs/dbraw/zinc/57/57/50/1218575750.db2.gz QLYPJNWEOSSGJK-QYZOEREBSA-N 2 1 372.513 0.676 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCCC2)CC1 ZINC001096605470 1218575756 /nfs/dbraw/zinc/57/57/56/1218575756.db2.gz QLYPJNWEOSSGJK-QYZOEREBSA-N 2 1 372.513 0.676 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C(C)C ZINC001226860930 1225856095 /nfs/dbraw/zinc/85/60/95/1225856095.db2.gz UZOWRXJGUIYJJM-KURKYZTESA-N 2 1 362.518 0.968 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)C(C)C ZINC001226860930 1225856097 /nfs/dbraw/zinc/85/60/97/1225856097.db2.gz UZOWRXJGUIYJJM-KURKYZTESA-N 2 1 362.518 0.968 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070211526 1219296073 /nfs/dbraw/zinc/29/60/73/1219296073.db2.gz METDLBHCRGDGAN-SQNIBIBYSA-N 2 1 356.474 0.517 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCC2)[C@@H](n2ccnn2)C1 ZINC001070211526 1219296077 /nfs/dbraw/zinc/29/60/77/1219296077.db2.gz METDLBHCRGDGAN-SQNIBIBYSA-N 2 1 356.474 0.517 20 30 FCEDMP C#CCC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001070375221 1219404298 /nfs/dbraw/zinc/40/42/98/1219404298.db2.gz VASVRDZPSHRFOB-XLIONFOSSA-N 2 1 371.485 0.690 20 30 FCEDMP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001070378464 1219405490 /nfs/dbraw/zinc/40/54/90/1219405490.db2.gz RMAAQVSKURNMMM-MDYRTPRTSA-N 2 1 360.502 0.437 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001070506116 1219443372 /nfs/dbraw/zinc/44/33/72/1219443372.db2.gz ZKNQJOYIBZWUAL-CYGHRXIMSA-N 2 1 361.490 0.599 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001070506116 1219443376 /nfs/dbraw/zinc/44/33/76/1219443376.db2.gz ZKNQJOYIBZWUAL-CYGHRXIMSA-N 2 1 361.490 0.599 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001070660538 1219513084 /nfs/dbraw/zinc/51/30/84/1219513084.db2.gz KRFUMIZAIPSSRA-YFHUEUNASA-N 2 1 361.490 0.599 20 30 FCEDMP C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001070660538 1219513086 /nfs/dbraw/zinc/51/30/86/1219513086.db2.gz KRFUMIZAIPSSRA-YFHUEUNASA-N 2 1 361.490 0.599 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070681974 1219522949 /nfs/dbraw/zinc/52/29/49/1219522949.db2.gz DCFPTWROTBEYHO-JFIYKMOQSA-N 2 1 361.490 0.599 20 30 FCEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C[C@H]1c1cncn1C ZINC001070681974 1219522950 /nfs/dbraw/zinc/52/29/50/1219522950.db2.gz DCFPTWROTBEYHO-JFIYKMOQSA-N 2 1 361.490 0.599 20 30 FCEDMP C=CCC[N@@H+]1C[C@@H]2[C@H](C1)OC(=O)N2[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001070923730 1219581829 /nfs/dbraw/zinc/58/18/29/1219581829.db2.gz ATMBVACMCSHGKU-BBWFWOEESA-N 2 1 362.474 0.764 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)N(C)C)CC1 ZINC001098460930 1219787097 /nfs/dbraw/zinc/78/70/97/1219787097.db2.gz MOFOOMUDLYAZIF-HPBDAGMYSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)N(C)C)CC1 ZINC001098460930 1219787101 /nfs/dbraw/zinc/78/71/01/1219787101.db2.gz MOFOOMUDLYAZIF-HPBDAGMYSA-N 2 1 360.502 0.530 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+]([C@H](C)C(=O)NC)C3)CC1 ZINC001099174587 1219940191 /nfs/dbraw/zinc/94/01/91/1219940191.db2.gz VIVXWKRGDWLDGG-SYNHAJSKSA-N 2 1 360.502 0.437 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(C)n2)C1 ZINC001099446662 1220000242 /nfs/dbraw/zinc/00/02/42/1220000242.db2.gz GCYBDHKWGMNRFF-QRFRQXIXSA-N 2 1 370.501 0.631 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]Cc2cnn(C)n2)C1 ZINC001099446662 1220000248 /nfs/dbraw/zinc/00/02/48/1220000248.db2.gz GCYBDHKWGMNRFF-QRFRQXIXSA-N 2 1 370.501 0.631 20 30 FCEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CN(CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231072 1220236924 /nfs/dbraw/zinc/23/69/24/1220236924.db2.gz RMIJSYXWALHSRF-GJYPPUQNSA-N 2 1 361.490 0.279 20 30 FCEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231072 1220236927 /nfs/dbraw/zinc/23/69/27/1220236927.db2.gz RMIJSYXWALHSRF-GJYPPUQNSA-N 2 1 361.490 0.279 20 30 FCEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231072 1220236929 /nfs/dbraw/zinc/23/69/29/1220236929.db2.gz RMIJSYXWALHSRF-GJYPPUQNSA-N 2 1 361.490 0.279 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231072 1220236930 /nfs/dbraw/zinc/23/69/30/1220236930.db2.gz RMIJSYXWALHSRF-GJYPPUQNSA-N 2 1 361.490 0.279 20 30 FCEDMP CC(C)[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101231072 1220236933 /nfs/dbraw/zinc/23/69/33/1220236933.db2.gz RMIJSYXWALHSRF-GJYPPUQNSA-N 2 1 361.490 0.279 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339961 1220293241 /nfs/dbraw/zinc/29/32/41/1220293241.db2.gz OEJCABUPGATUIM-HBFSDRIKSA-N 2 1 363.502 0.526 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339961 1220293244 /nfs/dbraw/zinc/29/32/44/1220293244.db2.gz OEJCABUPGATUIM-HBFSDRIKSA-N 2 1 363.502 0.526 20 30 FCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339961 1220293248 /nfs/dbraw/zinc/29/32/48/1220293248.db2.gz OEJCABUPGATUIM-HBFSDRIKSA-N 2 1 363.502 0.526 20 30 FCEDMP COCC#CC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C[C@]2(C)C1 ZINC001101339961 1220293253 /nfs/dbraw/zinc/29/32/53/1220293253.db2.gz OEJCABUPGATUIM-HBFSDRIKSA-N 2 1 363.502 0.526 20 30 FCEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@]3(C)C2)C1=O ZINC001101400349 1220324129 /nfs/dbraw/zinc/32/41/29/1220324129.db2.gz SCNKKCZOWKGDPM-HLIPFELVSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3CN(C(=O)C[NH+](CC)CC)C[C@]3(C)C2)C1=O ZINC001101400350 1220324161 /nfs/dbraw/zinc/32/41/61/1220324161.db2.gz SCNKKCZOWKGDPM-UWVAXJGDSA-N 2 1 362.518 0.895 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101432771 1220342577 /nfs/dbraw/zinc/34/25/77/1220342577.db2.gz ZMMYWOFQCWOQAC-MDZRGWNJSA-N 2 1 366.506 0.036 20 30 FCEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC001101473371 1220365362 /nfs/dbraw/zinc/36/53/62/1220365362.db2.gz SOSNJLPQGPHLBW-XLIONFOSSA-N 2 1 362.518 0.945 20 30 FCEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC001102040659 1220472750 /nfs/dbraw/zinc/47/27/50/1220472750.db2.gz QMAYJVKEKCLRPN-FGTMMUONSA-N 2 1 362.518 0.398 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040659 1220472752 /nfs/dbraw/zinc/47/27/52/1220472752.db2.gz QMAYJVKEKCLRPN-FGTMMUONSA-N 2 1 362.518 0.398 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC001102040659 1220472753 /nfs/dbraw/zinc/47/27/53/1220472753.db2.gz QMAYJVKEKCLRPN-FGTMMUONSA-N 2 1 362.518 0.398 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047469 1220477461 /nfs/dbraw/zinc/47/74/61/1220477461.db2.gz HYYLBOFAAXOBSE-BZUAXINKSA-N 2 1 357.458 0.194 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCCc3[nH+]ccn32)[C@H](C)C1 ZINC001102047469 1220477462 /nfs/dbraw/zinc/47/74/62/1220477462.db2.gz HYYLBOFAAXOBSE-BZUAXINKSA-N 2 1 357.458 0.194 20 30 FCEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCn1cc[nH+]c1C ZINC001229109441 1225980766 /nfs/dbraw/zinc/98/07/66/1225980766.db2.gz JDTDGGZQLAGLBV-IAGOWNOFSA-N 2 1 359.474 0.738 20 30 FCEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001102466402 1220637364 /nfs/dbraw/zinc/63/73/64/1220637364.db2.gz MYAQVVUIHTURFG-CRAIPNDOSA-N 2 1 371.485 0.686 20 30 FCEDMP COCC#CC[N@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466761 1220637543 /nfs/dbraw/zinc/63/75/43/1220637543.db2.gz WSDAHSUGMMTZRS-RTBURBONSA-N 2 1 365.518 0.823 20 30 FCEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)CCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC001102466761 1220637547 /nfs/dbraw/zinc/63/75/47/1220637547.db2.gz WSDAHSUGMMTZRS-RTBURBONSA-N 2 1 365.518 0.823 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1C ZINC001103099327 1220833588 /nfs/dbraw/zinc/83/35/88/1220833588.db2.gz KZMSAHCGFCLQPM-KURKYZTESA-N 2 1 358.490 0.450 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CCn2cncn2)C[C@H]1C ZINC001103099327 1220833589 /nfs/dbraw/zinc/83/35/89/1220833589.db2.gz KZMSAHCGFCLQPM-KURKYZTESA-N 2 1 358.490 0.450 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCn2cncn2)C[C@H]1C ZINC001103099327 1220833590 /nfs/dbraw/zinc/83/35/90/1220833590.db2.gz KZMSAHCGFCLQPM-KURKYZTESA-N 2 1 358.490 0.450 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CCn2cncn2)C[C@H]1C ZINC001103099327 1220833591 /nfs/dbraw/zinc/83/35/91/1220833591.db2.gz KZMSAHCGFCLQPM-KURKYZTESA-N 2 1 358.490 0.450 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103103750 1220833856 /nfs/dbraw/zinc/83/38/56/1220833856.db2.gz XXQLWIQZLHHUSH-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1C ZINC001103103750 1220833860 /nfs/dbraw/zinc/83/38/60/1220833860.db2.gz XXQLWIQZLHHUSH-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001103103750 1220833862 /nfs/dbraw/zinc/83/38/62/1220833862.db2.gz XXQLWIQZLHHUSH-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(=O)N2CCC2)C[C@H]1C ZINC001103103750 1220833863 /nfs/dbraw/zinc/83/38/63/1220833863.db2.gz XXQLWIQZLHHUSH-KURKYZTESA-N 2 1 360.502 0.391 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724768 1220953928 /nfs/dbraw/zinc/95/39/28/1220953928.db2.gz SDMDUVJQIJSKTB-BFYDXBDKSA-N 2 1 361.490 0.956 20 30 FCEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001103724768 1220953931 /nfs/dbraw/zinc/95/39/31/1220953931.db2.gz SDMDUVJQIJSKTB-BFYDXBDKSA-N 2 1 361.490 0.956 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)NCC[C@@H]2C[N@@H+]([C@@H](C)C(=O)NC)C[C@H]2C)CC1 ZINC001103752528 1220963897 /nfs/dbraw/zinc/96/38/97/1220963897.db2.gz KGZMDXNTXDAHCH-SOLBZPMBSA-N 2 1 362.518 0.540 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@]23CCC[C@H]2C[N@H+](C[C@@H](O)COC)C3)CC1 ZINC001112004330 1221198269 /nfs/dbraw/zinc/19/82/69/1221198269.db2.gz WNUFCJAGGZZNTD-NSHGMRRFSA-N 2 1 363.502 0.310 20 30 FCEDMP C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C(F)(F)F)[C@H](NCC#CCOC)C1 ZINC001112116049 1221209909 /nfs/dbraw/zinc/20/99/09/1221209909.db2.gz GZRMWDQZFPKVEB-OAGGEKHMSA-N 2 1 371.403 0.713 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1 ZINC001112404237 1221253044 /nfs/dbraw/zinc/25/30/44/1221253044.db2.gz OONJRRHEMLZTKF-DMUMMCEESA-N 2 1 363.502 0.310 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]C[C@@H](O)COC)C1 ZINC001112404237 1221253050 /nfs/dbraw/zinc/25/30/50/1221253050.db2.gz OONJRRHEMLZTKF-DMUMMCEESA-N 2 1 363.502 0.310 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC2(CC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)C1 ZINC001121134006 1222150342 /nfs/dbraw/zinc/15/03/42/1222150342.db2.gz OCYGSKZFPBLKBM-UJCNLJFBSA-N 2 1 360.502 0.482 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[N@@H+]4CCOC[C@@H]4C3)n2CC)CC1 ZINC001121813112 1222214237 /nfs/dbraw/zinc/21/42/37/1222214237.db2.gz MTPOKLYKXNWZPW-KRWDZBQOSA-N 2 1 358.490 0.631 20 30 FCEDMP C#CC[NH+]1CCC(c2nnc(N3CC[N@H+]4CCOC[C@@H]4C3)n2CC)CC1 ZINC001121813112 1222214240 /nfs/dbraw/zinc/21/42/40/1222214240.db2.gz MTPOKLYKXNWZPW-KRWDZBQOSA-N 2 1 358.490 0.631 20 30 FCEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000841911028 1222831721 /nfs/dbraw/zinc/83/17/21/1222831721.db2.gz WVRFGUWSVSYDBU-SJORKVTESA-N 2 1 363.506 0.231 20 30 FCEDMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001156672116 1223060692 /nfs/dbraw/zinc/06/06/92/1223060692.db2.gz GVBJXZBMBMFTEA-KRWDZBQOSA-N 2 1 366.506 0.133 20 30 FCEDMP C#C[C@](C)([NH3+])C(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001159158886 1223119723 /nfs/dbraw/zinc/11/97/23/1223119723.db2.gz UDFPEZVBGPCBRI-DFEOGRTESA-N 2 1 356.474 0.330 20 30 FCEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001164582289 1223240103 /nfs/dbraw/zinc/24/01/03/1223240103.db2.gz GFGYIQGPDDKWHQ-YESZJQIVSA-N 2 1 362.518 0.731 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210282827 1223681007 /nfs/dbraw/zinc/68/10/07/1223681007.db2.gz CQOOSUCGKHXPEH-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210282827 1223681009 /nfs/dbraw/zinc/68/10/09/1223681009.db2.gz CQOOSUCGKHXPEH-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210282827 1223681011 /nfs/dbraw/zinc/68/10/11/1223681011.db2.gz CQOOSUCGKHXPEH-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210282827 1223681013 /nfs/dbraw/zinc/68/10/13/1223681013.db2.gz CQOOSUCGKHXPEH-KZNAEPCWSA-N 2 1 362.518 0.965 20 30 FCEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211291634 1223733162 /nfs/dbraw/zinc/73/31/62/1223733162.db2.gz BICJIRVPSDVKML-CRAIPNDOSA-N 2 1 356.470 0.548 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001211291634 1223733165 /nfs/dbraw/zinc/73/31/65/1223733165.db2.gz BICJIRVPSDVKML-CRAIPNDOSA-N 2 1 356.470 0.548 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(=O)NCC=C)C[C@H]2C)CC1 ZINC001211343843 1223736195 /nfs/dbraw/zinc/73/61/95/1223736195.db2.gz OKSKKGWREHTQHF-JFIYKMOQSA-N 2 1 360.502 0.459 20 30 FCEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214969511 1223960863 /nfs/dbraw/zinc/96/08/63/1223960863.db2.gz UDHINVHIDGHMEY-BRWVUGGUSA-N 2 1 363.506 0.669 20 30 FCEDMP C=CCN(CC=C)C(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540299 1224005192 /nfs/dbraw/zinc/00/51/92/1224005192.db2.gz LELQRPCGXRFCJE-RCCFBDPRSA-N 2 1 362.518 0.965 20 30 FCEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001216214021 1224039353 /nfs/dbraw/zinc/03/93/53/1224039353.db2.gz VITYQWDUXQMGIT-RBSFLKMASA-N 2 1 367.494 0.165 20 30 FCEDMP N#Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413484 1245717668 /nfs/dbraw/zinc/71/76/68/1245717668.db2.gz DZEXTEZGARZVRQ-LHHMISFZSA-N 2 1 372.425 0.165 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000944101377 1247473268 /nfs/dbraw/zinc/47/32/68/1247473268.db2.gz SXTMPYSKARRMRH-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000944101377 1247473271 /nfs/dbraw/zinc/47/32/71/1247473271.db2.gz SXTMPYSKARRMRH-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000944101377 1247473274 /nfs/dbraw/zinc/47/32/74/1247473274.db2.gz SXTMPYSKARRMRH-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC000944101377 1247473277 /nfs/dbraw/zinc/47/32/77/1247473277.db2.gz SXTMPYSKARRMRH-TVFCKZIOSA-N 2 1 360.502 0.531 20 30 FCEDMP C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC001518955644 1265690961 /nfs/dbraw/zinc/69/09/61/1265690961.db2.gz ULPRRFKLOVIVHC-APWZRJJASA-N 2 1 355.486 0.837 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[N@@H+]1C ZINC001077570821 1254709983 /nfs/dbraw/zinc/70/99/83/1254709983.db2.gz AHTZESINXJXBFN-WQANXHIZSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[N@H+]1C ZINC001077570821 1254710003 /nfs/dbraw/zinc/71/00/03/1254710003.db2.gz AHTZESINXJXBFN-WQANXHIZSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[NH+]1C ZINC001077570821 1254710031 /nfs/dbraw/zinc/71/00/31/1254710031.db2.gz AHTZESINXJXBFN-WQANXHIZSA-N 2 1 356.470 0.950 20 30 FCEDMP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2O)CC[NH+]1C ZINC001077570821 1254710048 /nfs/dbraw/zinc/71/00/48/1254710048.db2.gz AHTZESINXJXBFN-WQANXHIZSA-N 2 1 356.470 0.950 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](OC)C3CCC3)C[C@H]2O)CC1 ZINC001078227055 1255340792 /nfs/dbraw/zinc/34/07/92/1255340792.db2.gz HAJRLGZABWBNHM-QRVBRYPASA-N 2 1 363.502 0.308 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCN3CCCC3=O)C[C@H]2C)CC1 ZINC001080992539 1256130504 /nfs/dbraw/zinc/13/05/04/1256130504.db2.gz OGQRDDZNAJCRKG-SJLPKXTDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]2C)CC1 ZINC001080992710 1256130675 /nfs/dbraw/zinc/13/06/75/1256130675.db2.gz VZPVUAVKRWVFIX-SJLPKXTDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]2C)CC1 ZINC001080992710 1256130680 /nfs/dbraw/zinc/13/06/80/1256130680.db2.gz VZPVUAVKRWVFIX-SJLPKXTDSA-N 2 1 360.502 0.391 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H]3CCCCO3)C[C@H]2OC)CC1 ZINC001082383050 1256733922 /nfs/dbraw/zinc/73/39/22/1256733922.db2.gz GBXNXNARYCBCQZ-GUDVDZBRSA-N 2 1 363.502 0.716 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001082567908 1256873597 /nfs/dbraw/zinc/87/35/97/1256873597.db2.gz KQZDHZUNNUMMHT-LZQZEXGQSA-N 2 1 368.481 0.820 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(N)=O)c2)C1 ZINC001082567908 1256873604 /nfs/dbraw/zinc/87/36/04/1256873604.db2.gz KQZDHZUNNUMMHT-LZQZEXGQSA-N 2 1 368.481 0.820 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ncnn3CC)C2)CC1 ZINC001082941575 1257159371 /nfs/dbraw/zinc/15/93/71/1257159371.db2.gz YJYJQPIZXCARQE-NVXWUHKLSA-N 2 1 358.490 0.580 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@H](CC)C(N)=O)CC[C@@H]3C2)CC1 ZINC001088212086 1258734675 /nfs/dbraw/zinc/73/46/75/1258734675.db2.gz OLFGOJFVSFIMLZ-FGTMMUONSA-N 2 1 360.502 0.376 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+]([C@@H](C)C(=O)NC)CC[C@@H]3C2)CC1 ZINC001088212100 1258734756 /nfs/dbraw/zinc/73/47/56/1258734756.db2.gz PRTPJXQJUJPRFL-JQHSSLGASA-N 2 1 360.502 0.246 20 30 FCEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[NH+](CC(=O)NCC#N)CC2 ZINC001107449829 1259091508 /nfs/dbraw/zinc/09/15/08/1259091508.db2.gz ZBNGGKHDZVLJAS-FRQCXROJSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001107449829 1259091513 /nfs/dbraw/zinc/09/15/13/1259091513.db2.gz ZBNGGKHDZVLJAS-FRQCXROJSA-N 2 1 361.490 0.471 20 30 FCEDMP C[NH+]1CCCC[C@H]1C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001107449829 1259091520 /nfs/dbraw/zinc/09/15/20/1259091520.db2.gz ZBNGGKHDZVLJAS-FRQCXROJSA-N 2 1 361.490 0.471 20 30 FCEDMP N#CCNC(=O)C[N@H+]1CC[C@@]2(CNC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001107608417 1259132868 /nfs/dbraw/zinc/13/28/68/1259132868.db2.gz QDIFHCOMYAYAQI-CRAIPNDOSA-N 2 1 359.474 0.083 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266989 1259358646 /nfs/dbraw/zinc/35/86/46/1259358646.db2.gz SINKBEDVGWSAJM-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266989 1259358651 /nfs/dbraw/zinc/35/86/51/1259358651.db2.gz SINKBEDVGWSAJM-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266989 1259358658 /nfs/dbraw/zinc/35/86/58/1259358658.db2.gz SINKBEDVGWSAJM-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](n2ccnn2)C1 ZINC001129266989 1259358667 /nfs/dbraw/zinc/35/86/67/1259358667.db2.gz SINKBEDVGWSAJM-BBWFWOEESA-N 2 1 362.478 0.164 20 30 FCEDMP C=CC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267097 1259360803 /nfs/dbraw/zinc/36/08/03/1259360803.db2.gz XCSWEZFCUSDEDI-ZACQAIPSSA-N 2 1 362.478 0.307 20 30 FCEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129267097 1259360806 /nfs/dbraw/zinc/36/08/06/1259360806.db2.gz XCSWEZFCUSDEDI-ZACQAIPSSA-N 2 1 362.478 0.307 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC[N@H+](C)CCC)n1 ZINC001130251201 1259375579 /nfs/dbraw/zinc/37/55/79/1259375579.db2.gz HXBPXENGVDLDMQ-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@@H+](C)CCC)[nH]1 ZINC001130251201 1259375585 /nfs/dbraw/zinc/37/55/85/1259375585.db2.gz HXBPXENGVDLDMQ-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC[N@H+](C)CCC)[nH]1 ZINC001130251201 1259375598 /nfs/dbraw/zinc/37/55/98/1259375598.db2.gz HXBPXENGVDLDMQ-GJZGRUSLSA-N 2 1 362.478 0.248 20 30 FCEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001251840381 1259764309 /nfs/dbraw/zinc/76/43/09/1259764309.db2.gz PEOFEZSCJRFZFI-WCIQWLHISA-N 2 1 373.501 0.464 20 30 FCEDMP C#CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001251840381 1259764315 /nfs/dbraw/zinc/76/43/15/1259764315.db2.gz PEOFEZSCJRFZFI-WCIQWLHISA-N 2 1 373.501 0.464 20 30 FCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001251840381 1259764320 /nfs/dbraw/zinc/76/43/20/1259764320.db2.gz PEOFEZSCJRFZFI-WCIQWLHISA-N 2 1 373.501 0.464 20 30 FCEDMP C#CCOC[C@H](O)C[NH+]1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001251840381 1259764325 /nfs/dbraw/zinc/76/43/25/1259764325.db2.gz PEOFEZSCJRFZFI-WCIQWLHISA-N 2 1 373.501 0.464 20 30 FCEDMP C=CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](CN1CC[NH+](C)CC1)O2 ZINC001252461952 1259789127 /nfs/dbraw/zinc/78/91/27/1259789127.db2.gz BRULTZFKDRMRGT-XUVXKRRUSA-N 2 1 367.534 0.811 20 30 FCEDMP C=CCOC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001252461952 1259789132 /nfs/dbraw/zinc/78/91/32/1259789132.db2.gz BRULTZFKDRMRGT-XUVXKRRUSA-N 2 1 367.534 0.811 20 30 FCEDMP C=CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001252461952 1259789142 /nfs/dbraw/zinc/78/91/42/1259789142.db2.gz BRULTZFKDRMRGT-XUVXKRRUSA-N 2 1 367.534 0.811 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@@H+](C[C@@H](O)C[NH+](CC)CC)C2 ZINC001253181459 1259825883 /nfs/dbraw/zinc/82/58/83/1259825883.db2.gz FLAGZKOTDTUFTE-ICSRJNTNSA-N 2 1 366.550 0.872 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@@]12CC[N@H+](C[C@@H](O)C[NH+](CC)CC)C2 ZINC001253181459 1259825896 /nfs/dbraw/zinc/82/58/96/1259825896.db2.gz FLAGZKOTDTUFTE-ICSRJNTNSA-N 2 1 366.550 0.872 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253388750 1259838572 /nfs/dbraw/zinc/83/85/72/1259838572.db2.gz MSUBXEIJIWWIOE-YLJYHZDGSA-N 2 1 366.550 0.919 20 30 FCEDMP C=CCN1CCN(C(C)C)C(=O)[C@]12CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001253388750 1259838579 /nfs/dbraw/zinc/83/85/79/1259838579.db2.gz MSUBXEIJIWWIOE-YLJYHZDGSA-N 2 1 366.550 0.919 20 30 FCEDMP C[NH+]1CCC(C[N@H+]2[C@H]3CC[C@H]([C@H](O)C3)[C@H]2C(=O)N2CC(CC#N)C2)CC1 ZINC001280125897 1261011319 /nfs/dbraw/zinc/01/13/19/1261011319.db2.gz OPCDMQBGCHQTCW-MANSERQUSA-N 2 1 360.502 0.914 20 30 FCEDMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC001322975636 1264306347 /nfs/dbraw/zinc/30/63/47/1264306347.db2.gz PQLXJEKYLCJOEW-SFHVURJKSA-N 2 1 368.481 0.439 20 30 FCEDMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC#Cc3ccccc3)C2)CC1 ZINC001322975636 1264306357 /nfs/dbraw/zinc/30/63/57/1264306357.db2.gz PQLXJEKYLCJOEW-SFHVURJKSA-N 2 1 368.481 0.439 20 30 FCEDMP C#CC[NH+]1CCC(C(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001324255105 1264604730 /nfs/dbraw/zinc/60/47/30/1264604730.db2.gz KRIOWJGLDKCHCW-UHFFFAOYSA-N 2 1 360.502 0.344 20 30 FCEDMP C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CCN1CC[N@@H+](C)C(C)(C)C1 ZINC001574485138 1271292851 /nfs/dbraw/zinc/29/28/51/1271292851.db2.gz BEBXNHFVLSERGI-YESZJQIVSA-N 2 1 373.549 0.967 20 30 FCEDMP C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001574485138 1271292857 /nfs/dbraw/zinc/29/28/57/1271292857.db2.gz BEBXNHFVLSERGI-YESZJQIVSA-N 2 1 373.549 0.967 20 30 FCEDMP C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H]([NH3+])C2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001574485138 1271292862 /nfs/dbraw/zinc/29/28/62/1271292862.db2.gz BEBXNHFVLSERGI-YESZJQIVSA-N 2 1 373.549 0.967 20 30 FCEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001588351017 1282447873 /nfs/dbraw/zinc/44/78/73/1282447873.db2.gz CKSPOCBJODTCPI-KRWDZBQOSA-N 2 1 367.457 0.560 20 30 FCEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001588351017 1282447876 /nfs/dbraw/zinc/44/78/76/1282447876.db2.gz CKSPOCBJODTCPI-KRWDZBQOSA-N 2 1 367.457 0.560 20 30 FCEDMP C=CCNC(=O)[C@H](C)[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001692082658 1289387570 /nfs/dbraw/zinc/38/75/70/1289387570.db2.gz FOZHMRLSFJZFKA-BBWFWOEESA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001692082658 1289387578 /nfs/dbraw/zinc/38/75/78/1289387578.db2.gz FOZHMRLSFJZFKA-BBWFWOEESA-N 2 1 350.507 0.799 20 30 FCEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001692082658 1289387582 /nfs/dbraw/zinc/38/75/82/1289387582.db2.gz FOZHMRLSFJZFKA-BBWFWOEESA-N 2 1 350.507 0.799 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)CC[C@@H]3C2)CC[N@@H+]1C ZINC001689221472 1294677129 /nfs/dbraw/zinc/67/71/29/1294677129.db2.gz VPPONANGHSKUPO-LTIDMASMSA-N 2 1 361.490 0.137 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)NCC#N)CC[C@@H]3C2)CC[N@H+]1C ZINC001689221472 1294677140 /nfs/dbraw/zinc/67/71/40/1294677140.db2.gz VPPONANGHSKUPO-LTIDMASMSA-N 2 1 361.490 0.137 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC[NH+]1C ZINC001689221472 1294677148 /nfs/dbraw/zinc/67/71/48/1294677148.db2.gz VPPONANGHSKUPO-LTIDMASMSA-N 2 1 361.490 0.137 20 30 FCEDMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NCC#N)CC[C@@H]3C2)CC[NH+]1C ZINC001689221472 1294677157 /nfs/dbraw/zinc/67/71/57/1294677157.db2.gz VPPONANGHSKUPO-LTIDMASMSA-N 2 1 361.490 0.137 20 30 FCEDMP C#CCNC(=O)C[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001690896805 1294890326 /nfs/dbraw/zinc/89/03/26/1294890326.db2.gz IBUOTLBJGMNPRG-OKZBNKHCSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001690896805 1294890333 /nfs/dbraw/zinc/89/03/33/1294890333.db2.gz IBUOTLBJGMNPRG-OKZBNKHCSA-N 2 1 362.518 0.827 20 30 FCEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001690896805 1294890338 /nfs/dbraw/zinc/89/03/38/1294890338.db2.gz IBUOTLBJGMNPRG-OKZBNKHCSA-N 2 1 362.518 0.827 20 30 FCEDMP