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@@H]1CC[C@H](NC(=O)[C@H](N)CCCC#N)C[NH2+]1 ZINC000602554714 349596091 /nfs/dbraw/zinc/59/60/91/349596091.db2.gz OEKSKGXCTZAHRB-OUAUKWLOSA-N 1 3 238.335 0.264 20 30 BCEDHO C[C@@H]1CC[C@@H](NC(=O)[C@H](N)CCCC#N)C[NH2+]1 ZINC000602554712 349596119 /nfs/dbraw/zinc/59/61/19/349596119.db2.gz OEKSKGXCTZAHRB-GMTAPVOTSA-N 1 3 238.335 0.264 20 30 BCEDHO CC(C#N)C(=O)NCCC[NH+]1CCCC1 ZINC000062079331 136272019 /nfs/dbraw/zinc/27/20/19/136272019.db2.gz HEKBVEKNYURXKY-JTQLQIEISA-N 1 3 209.293 0.748 20 30 BCEDHO NC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179712520 346994284 /nfs/dbraw/zinc/99/42/84/346994284.db2.gz VXYPBNMGXYOYPD-UHFFFAOYSA-N 1 3 233.319 0.571 20 30 BCEDHO CC(C#N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396486424 347027797 /nfs/dbraw/zinc/02/77/97/347027797.db2.gz MNHOGPVTCSRVJD-NXEZZACHSA-N 1 3 223.320 0.993 20 30 BCEDHO N#CCCN1CCN(CC2CC[NH2+]CC2)CC1 ZINC000601331894 347223218 /nfs/dbraw/zinc/22/32/18/347223218.db2.gz FEQWWNSUGABRDU-UHFFFAOYSA-N 1 3 236.363 0.517 20 30 BCEDHO C#C[C@H](C)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000187047220 347248148 /nfs/dbraw/zinc/24/81/48/347248148.db2.gz IDZXVIBLFATDAW-WDEREUQCSA-N 1 3 222.336 0.397 20 30 BCEDHO CC1(C)CNCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000591677848 347685423 /nfs/dbraw/zinc/68/54/23/347685423.db2.gz HANMJQAUOZRZCW-JTQLQIEISA-N 1 3 238.335 0.218 20 30 BCEDHO CN(CCC[NH3+])C(=O)[C@H](N)CCCCC#N ZINC000594427017 348043921 /nfs/dbraw/zinc/04/39/21/348043921.db2.gz SEFTXICIPXWRBB-SNVBAGLBSA-N 1 3 226.324 0.205 20 30 BCEDHO CC(C)([NH3+])CNC(=O)[C@H](N)CCCCC#N ZINC000594424394 348051126 /nfs/dbraw/zinc/05/11/26/348051126.db2.gz CQSHRFMOIIDXIJ-SECBINFHSA-N 1 3 226.324 0.251 20 30 BCEDHO CN(C(=O)[C@@H](N)CCCCC#N)[C@H]1CC[NH2+]C1 ZINC000594425623 348052182 /nfs/dbraw/zinc/05/21/82/348052182.db2.gz LPFVYJVULBIMNH-QWRGUYRKSA-N 1 3 238.335 0.218 20 30 BCEDHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H](N)CCCCC#N ZINC000594450225 348057508 /nfs/dbraw/zinc/05/75/08/348057508.db2.gz VBBZRRRIFUJJCT-GARJFASQSA-N 1 3 238.335 0.346 20 30 BCEDHO N#CCCC[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000595952539 348404100 /nfs/dbraw/zinc/40/41/00/348404100.db2.gz DVPWDIMWHBRTHJ-JTQLQIEISA-N 1 3 238.335 0.395 20 30 BCEDHO C=CCN1CCC(NC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638101423 351979716 /nfs/dbraw/zinc/97/97/16/351979716.db2.gz PRTLUXCQPPCZRL-GFCCVEGCSA-N 1 3 249.358 0.801 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H](C)[NH2+]CC)CC1 ZINC000638100930 351981317 /nfs/dbraw/zinc/98/13/17/351981317.db2.gz ODMUZWCORHCCCZ-LLVKDONJSA-N 1 3 239.363 0.751 20 30 BCEDHO C=CCN1CC[C@H](N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1=O ZINC000420309972 192211230 /nfs/dbraw/zinc/21/12/30/192211230.db2.gz PFGZGZHMRMANRS-LOWDOPEQSA-N 1 3 249.358 0.442 20 30 BCEDHO CC(C#N)C(=O)N(C)CCCC[NH+](C)C ZINC000610473274 357948958 /nfs/dbraw/zinc/94/89/58/357948958.db2.gz ISMUQTTTYNOCQI-JTQLQIEISA-N 1 3 211.309 0.946 20 30 BCEDHO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@H]1C ZINC000133644354 325306388 /nfs/dbraw/zinc/30/63/88/325306388.db2.gz DQSFSSMYKKWQIA-IJLUTSLNSA-N 1 3 239.363 0.607 20 30 BCEDHO C=CCNC(=[NH2+])NCCN1CCCCCC1 ZINC000066245407 368642207 /nfs/dbraw/zinc/64/22/07/368642207.db2.gz BDRSALCERFCQOW-UHFFFAOYSA-N 1 3 224.352 0.953 20 30 BCEDHO C[C@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+](C)C ZINC000594440471 385601844 /nfs/dbraw/zinc/60/18/44/385601844.db2.gz CWCKSYYDABMLDX-MNOVXSKESA-N 1 3 240.351 0.464 20 30 BCEDHO C=CCCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000309460764 385591531 /nfs/dbraw/zinc/59/15/31/385591531.db2.gz UKQAKPUKMBXBCI-ZDUSSCGKSA-N 1 3 223.364 0.932 20 30 BCEDHO CC(C#N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124761 387266898 /nfs/dbraw/zinc/26/68/98/387266898.db2.gz JBQJWXOQMIKQIQ-SNVBAGLBSA-N 1 3 223.320 0.946 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000424055792 387471551 /nfs/dbraw/zinc/47/15/51/387471551.db2.gz FLQQPTOGMOQVLJ-MNOVXSKESA-N 1 3 238.335 0.347 20 30 BCEDHO C[C@@](C[NH3+])(NC(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424086039 387486690 /nfs/dbraw/zinc/48/66/90/387486690.db2.gz ZWDQNCYJGKFWHN-PWSUYJOCSA-N 1 3 238.335 0.251 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000430698147 387640080 /nfs/dbraw/zinc/64/00/80/387640080.db2.gz CBYFDVTWUUSYAX-GFCCVEGCSA-N 1 3 239.363 0.736 20 30 BCEDHO C[C@@H](CNC(=O)[C@@H](N)CCCC#N)[NH+](C)C ZINC000424152129 387799311 /nfs/dbraw/zinc/79/93/11/387799311.db2.gz IKQYJYQOQMCXGH-UWVGGRQHSA-N 1 3 226.324 0.074 20 30 BCEDHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)CN1 ZINC000424156353 387823665 /nfs/dbraw/zinc/82/36/65/387823665.db2.gz OYXXVKVOLCRIHQ-VWYCJHECSA-N 1 3 238.335 0.216 20 30 BCEDHO C=CCC[C@H](O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193631799 387859250 /nfs/dbraw/zinc/85/92/50/387859250.db2.gz HWGZLOJENOTKDB-XQQFMLRXSA-N 1 3 224.348 0.807 20 30 BCEDHO C=CCC[C@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193631799 387859254 /nfs/dbraw/zinc/85/92/54/387859254.db2.gz HWGZLOJENOTKDB-XQQFMLRXSA-N 1 3 224.348 0.807 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000424154672 387815359 /nfs/dbraw/zinc/81/53/59/387815359.db2.gz JZCHTRNBAQXGGD-VWYCJHECSA-N 1 3 238.335 0.394 20 30 BCEDHO CC1(C)CN(C(=O)[C@H]([NH3+])CCCC#N)CCN1 ZINC000424189663 387912955 /nfs/dbraw/zinc/91/29/55/387912955.db2.gz LCNYLZNSSSVAEM-SNVBAGLBSA-N 1 3 238.335 0.218 20 30 BCEDHO N#CCCC[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424219073 387936123 /nfs/dbraw/zinc/93/61/23/387936123.db2.gz ZEFBWZLOEFBQTP-GMTAPVOTSA-N 1 3 238.335 0.394 20 30 BCEDHO C=C(C)CNC(=[NH2+])NCC1=CCN(C)CC1 ZINC000263193267 135125077 /nfs/dbraw/zinc/12/50/77/135125077.db2.gz ZDPIMMOBDWQDMZ-UHFFFAOYSA-N 1 3 222.336 0.729 20 30 BCEDHO C[C@H]1C[NH+]=C(NCC(C)(C)CN(C)C)N1 ZINC000261531941 135161686 /nfs/dbraw/zinc/16/16/86/135161686.db2.gz ILMBLVQBNNXDPT-VIFPVBQESA-N 1 3 212.341 0.512 20 30 BCEDHO C[C@H]1C[NH+]=C(NCCN2CCCCCC2)N1 ZINC000261595456 135235124 /nfs/dbraw/zinc/23/51/24/135235124.db2.gz YDYLCSHOCYJKIJ-NSHDSACASA-N 1 3 224.352 0.800 20 30 BCEDHO CCN1CCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262286407 135290839 /nfs/dbraw/zinc/29/08/39/135290839.db2.gz MKELOXOSNAOAFO-NSHDSACASA-N 1 3 226.368 0.950 20 30 BCEDHO CC#CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000334367680 135374808 /nfs/dbraw/zinc/37/48/08/135374808.db2.gz RJLZCODQLNMFPT-HUUCEWRRSA-N 1 3 249.402 0.968 20 30 BCEDHO CC#CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000334367680 135374810 /nfs/dbraw/zinc/37/48/10/135374810.db2.gz RJLZCODQLNMFPT-HUUCEWRRSA-N 1 3 249.402 0.968 20 30 BCEDHO CC#CC[N@@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000363466970 398120087 /nfs/dbraw/zinc/12/00/87/398120087.db2.gz IJHIBLQRKGBSIO-OAHLLOKOSA-N 1 3 249.402 0.969 20 30 BCEDHO CC#CC[N@H+]1CCC[C@@H](CN2CCN(C)CC2)C1 ZINC000363466970 398120088 /nfs/dbraw/zinc/12/00/88/398120088.db2.gz IJHIBLQRKGBSIO-OAHLLOKOSA-N 1 3 249.402 0.969 20 30 BCEDHO C=CC[C@]1(C(=O)NC[C@H](C)N(C)C)CCC[NH2+]1 ZINC000662693696 412273060 /nfs/dbraw/zinc/27/30/60/412273060.db2.gz LLGLPYWYTAJIGZ-WCQYABFASA-N 1 3 239.363 0.751 20 30 BCEDHO C=CC[C@]1(C(=O)NCCN(C)C)CCC[NH2+]1 ZINC000662782412 412300676 /nfs/dbraw/zinc/30/06/76/412300676.db2.gz ZQNKMPYTLAGJMV-GFCCVEGCSA-N 1 3 225.336 0.363 20 30 BCEDHO C=CCCOCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000231819953 487477254 /nfs/dbraw/zinc/47/72/54/487477254.db2.gz XZHFVSTYUMQKNE-ZDUSSCGKSA-N 1 3 242.363 0.625 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000066244975 534519853 /nfs/dbraw/zinc/51/98/53/534519853.db2.gz BKDLORPQHWCVHF-JTQLQIEISA-N 1 3 210.325 0.561 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC12CC2 ZINC000263066219 535548892 /nfs/dbraw/zinc/54/88/92/535548892.db2.gz OEKPPOGDSNGSLO-MNOVXSKESA-N 1 3 236.363 0.928 20 30 BCEDHO CCN1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262286404 535556152 /nfs/dbraw/zinc/55/61/52/535556152.db2.gz MKELOXOSNAOAFO-LLVKDONJSA-N 1 3 226.368 0.950 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000262524935 535596525 /nfs/dbraw/zinc/59/65/25/535596525.db2.gz KLBYYAMUJMDQJQ-NSHDSACASA-N 1 3 224.352 0.928 20 30 BCEDHO C=C(C[NH+](C)C)C(=O)N(C)CC1CN(C)C1 ZINC000855641867 588842941 /nfs/dbraw/zinc/84/29/41/588842941.db2.gz QCTAATCWXAPTRC-UHFFFAOYSA-N 1 3 225.336 0.124 20 30 BCEDHO C[NH+]1CCC(C[NH2+][C@H]2CCCN([O-])C2=O)CC1 ZINC000895197097 583623172 /nfs/dbraw/zinc/62/31/72/583623172.db2.gz PDINTSBQEHFMBY-NSHDSACASA-N 1 3 241.335 0.298 20 30 BCEDHO C#CCNC(=O)CCN1CCC12CC[NH+](C)CC2 ZINC000899911833 584253514 /nfs/dbraw/zinc/25/35/14/584253514.db2.gz ZOKUOSKXTRINFT-UHFFFAOYSA-N 1 3 249.358 0.296 20 30 BCEDHO C#CCNC(=O)CC[N@H+]1CCC12CCN(C)CC2 ZINC000899911833 584253516 /nfs/dbraw/zinc/25/35/16/584253516.db2.gz ZOKUOSKXTRINFT-UHFFFAOYSA-N 1 3 249.358 0.296 20 30 BCEDHO C#CCNC(=O)CC[N@@H+]1CCC12CCN(C)CC2 ZINC000899911833 584253519 /nfs/dbraw/zinc/25/35/19/584253519.db2.gz ZOKUOSKXTRINFT-UHFFFAOYSA-N 1 3 249.358 0.296 20 30 BCEDHO C=CCN(C)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903747244 584795078 /nfs/dbraw/zinc/79/50/78/584795078.db2.gz QKZZBXTUHCQFDV-NWDGAFQWSA-N 1 3 210.321 0.873 20 30 BCEDHO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000764576571 585468075 /nfs/dbraw/zinc/46/80/75/585468075.db2.gz RXWBJKGRPPZUFE-GFCCVEGCSA-N 1 3 239.363 0.657 20 30 BCEDHO C=C(CN(C)C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817676013 586817708 /nfs/dbraw/zinc/81/77/08/586817708.db2.gz BKWRHMQGANECCK-GFCCVEGCSA-N 1 3 239.363 0.657 20 30 BCEDHO C=C(CN(C)C)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000817676013 586817709 /nfs/dbraw/zinc/81/77/09/586817709.db2.gz BKWRHMQGANECCK-GFCCVEGCSA-N 1 3 239.363 0.657 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000822625051 587178069 /nfs/dbraw/zinc/17/80/69/587178069.db2.gz IWKVZZIXJLDQIE-LBPRGKRZSA-N 1 3 239.363 0.561 20 30 BCEDHO CCNC(NCCNc1ccncc1)=[NH+]CC ZINC000848995415 588428502 /nfs/dbraw/zinc/42/85/02/588428502.db2.gz TXPDJIBGDCRXSO-UHFFFAOYSA-N 1 3 235.335 0.490 20 30 BCEDHO C[C@H]1CCN(CC[NH+]=C(N(C)C)N(C)C)C1 ZINC000849004694 588431986 /nfs/dbraw/zinc/43/19/86/588431986.db2.gz WHGJKEYAAXKCDK-NSHDSACASA-N 1 3 226.368 0.807 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000876507722 590205099 /nfs/dbraw/zinc/20/50/99/590205099.db2.gz LXAQFWPAUKQSSB-JTQLQIEISA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000876516176 590206397 /nfs/dbraw/zinc/20/63/97/590206397.db2.gz MIKPKFCZNOHYTP-UDNWOFFPSA-N 1 3 245.754 0.842 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC[C@H]1C ZINC000876514653 590206483 /nfs/dbraw/zinc/20/64/83/590206483.db2.gz GOZFCSSFZPBLIK-BDAKNGLRSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC[C@H]1C ZINC000876514656 590206713 /nfs/dbraw/zinc/20/67/13/590206713.db2.gz GOZFCSSFZPBLIK-RKDXNWHRSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000876529080 590209720 /nfs/dbraw/zinc/20/97/20/590209720.db2.gz DZMOKDMMUPTJDL-MWLCHTKSSA-N 1 3 245.754 0.700 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000876538305 590211847 /nfs/dbraw/zinc/21/18/47/590211847.db2.gz GSPXQZREUPSHJI-ZETCQYMHSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCCCC[NH+](C)C ZINC000876726247 590233397 /nfs/dbraw/zinc/23/33/97/590233397.db2.gz XDSMTQFUQBGIFA-SNVBAGLBSA-N 1 3 247.770 0.914 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000876835525 590246384 /nfs/dbraw/zinc/24/63/84/590246384.db2.gz XJTVHLSAOIVEOJ-UTLUCORTSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000876860665 590250468 /nfs/dbraw/zinc/25/04/68/590250468.db2.gz GWVAVGMGYASXJO-PRJMDXOYSA-N 1 3 219.716 0.308 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872429 590251800 /nfs/dbraw/zinc/25/18/00/590251800.db2.gz ZECPZAUARAVKJJ-BBBLOLIVSA-N 1 3 243.738 0.277 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000876913752 590256400 /nfs/dbraw/zinc/25/64/00/590256400.db2.gz KNYQQOVGRVLONP-UWVGGRQHSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000876960841 590261291 /nfs/dbraw/zinc/26/12/91/590261291.db2.gz ODCNAGGJLJVCOF-UWVGGRQHSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)C[NH2+]C ZINC000876977697 590264024 /nfs/dbraw/zinc/26/40/24/590264024.db2.gz BEVCYGJDGMJZIX-HTQZYQBOSA-N 1 3 219.716 0.180 20 30 BCEDHO C[C@H]([NH3+])CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000877104200 590284069 /nfs/dbraw/zinc/28/40/69/590284069.db2.gz FBFMGBQXXHFVLJ-UWVGGRQHSA-N 1 3 226.324 0.203 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107731 590285628 /nfs/dbraw/zinc/28/56/28/590285628.db2.gz KSCFJGFMRAGURD-SFYZADRCSA-N 1 3 219.716 0.262 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877109141 590286624 /nfs/dbraw/zinc/28/66/24/590286624.db2.gz AFFVXNYXTQZOOO-XHNCKOQMSA-N 1 3 231.727 0.323 20 30 BCEDHO C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879577896 590814388 /nfs/dbraw/zinc/81/43/88/590814388.db2.gz NSDLAIYTTUWWFA-UPJWGTAASA-N 1 3 224.348 0.949 20 30 BCEDHO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2[C@H](CCN2C)C1 ZINC000879577896 590814389 /nfs/dbraw/zinc/81/43/89/590814389.db2.gz NSDLAIYTTUWWFA-UPJWGTAASA-N 1 3 224.348 0.949 20 30 BCEDHO C#CCCN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000879593967 590823798 /nfs/dbraw/zinc/82/37/98/590823798.db2.gz SVCGCAJTUUVFQG-UHFFFAOYSA-N 1 3 235.375 0.722 20 30 BCEDHO C#CC[C@@H]1CCN(C[C@H](O)C[N@@H+](C)CC)C1 ZINC000886365671 592219489 /nfs/dbraw/zinc/21/94/89/592219489.db2.gz NLERMPOECYEUIK-CHWSQXEVSA-N 1 3 224.348 0.644 20 30 BCEDHO C#CC[C@@H]1CCN(C[C@H](O)C[N@H+](C)CC)C1 ZINC000886365671 592219491 /nfs/dbraw/zinc/21/94/91/592219491.db2.gz NLERMPOECYEUIK-CHWSQXEVSA-N 1 3 224.348 0.644 20 30 BCEDHO C[C@H](CNC(=[NH2+])NC1CC1)N1CCCC1 ZINC000066245315 635472675 /nfs/dbraw/zinc/47/26/75/635472675.db2.gz AUUMAQUYJNWJQE-SECBINFHSA-N 1 3 210.325 0.537 20 30 BCEDHO C#CCN(C)CCC[NH2+]Cc1cnc[nH]1 ZINC000328036596 633226881 /nfs/dbraw/zinc/22/68/81/633226881.db2.gz WJJBBFKHLVGVGO-UHFFFAOYSA-N 1 3 206.293 0.454 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989797525 636880952 /nfs/dbraw/zinc/88/09/52/636880952.db2.gz YIXIUPZOENZGIU-STQMWFEESA-N 1 3 249.358 0.294 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NCCC[NH2+]CC ZINC000911688546 639728075 /nfs/dbraw/zinc/72/80/75/639728075.db2.gz PYOLBVQOLLTPED-LLVKDONJSA-N 1 3 227.352 0.786 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673600 639734635 /nfs/dbraw/zinc/73/46/35/639734635.db2.gz MTLCTIBZOPAINF-MNOVXSKESA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911787738 639806050 /nfs/dbraw/zinc/80/60/50/639806050.db2.gz LHXZMQFJFUKQLA-WDEREUQCSA-N 1 3 225.336 0.490 20 30 BCEDHO CC[C@H](CNC(=[NH2+])N(C)C)N1CCCC1 ZINC000170912875 640938299 /nfs/dbraw/zinc/93/82/99/640938299.db2.gz JYHXAHZVSOBBSH-SNVBAGLBSA-N 1 3 212.341 0.737 20 30 BCEDHO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC000967897143 642804706 /nfs/dbraw/zinc/80/47/06/642804706.db2.gz XLYFVHINFPCGFV-NEPJUHHUSA-N 1 3 237.347 0.457 20 30 BCEDHO C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016248622 642951144 /nfs/dbraw/zinc/95/11/44/642951144.db2.gz CGUAALGCDRLMSR-CHWSQXEVSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CCCN1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016248622 642951151 /nfs/dbraw/zinc/95/11/51/642951151.db2.gz CGUAALGCDRLMSR-CHWSQXEVSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000969989267 643262059 /nfs/dbraw/zinc/26/20/59/643262059.db2.gz KLBARDGRUSLNQU-NEPJUHHUSA-N 1 3 237.347 0.150 20 30 BCEDHO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970097329 643290588 /nfs/dbraw/zinc/29/05/88/643290588.db2.gz APFXHYWKWLRQLA-SNVBAGLBSA-N 1 3 234.303 0.329 20 30 BCEDHO C[C@H](CNC(=[NH2+])N(C)C)N1CCC[C@@H](C)C1 ZINC000245924030 644554438 /nfs/dbraw/zinc/55/44/38/644554438.db2.gz VOOLKOGVMWIIME-GHMZBOCLSA-N 1 3 226.368 0.983 20 30 BCEDHO CN(C)C(=[NH+]CC(C)(C)N(C)C)N(C)C ZINC000303783246 644846437 /nfs/dbraw/zinc/84/64/37/644846437.db2.gz ODBNYQMBIUIJBG-UHFFFAOYSA-N 1 3 214.357 0.806 20 30 BCEDHO CC#CC[C@H](CO)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717824351 712681693 /nfs/dbraw/zinc/68/16/93/712681693.db2.gz XGQVYMLHCMSEKJ-JHJVBQTASA-N 1 3 224.348 0.833 20 30 BCEDHO CC#CC[C@H](CO)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717824351 712681694 /nfs/dbraw/zinc/68/16/94/712681694.db2.gz XGQVYMLHCMSEKJ-JHJVBQTASA-N 1 3 224.348 0.833 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602168177 349467437 /nfs/dbraw/zinc/46/74/37/349467437.db2.gz VNZWEGZQHKXTNP-MXWKQRLJSA-N 1 3 221.304 0.889 20 30 BCEDHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000602543481 349587772 /nfs/dbraw/zinc/58/77/72/349587772.db2.gz KNFSGCWMAMVHRZ-GARJFASQSA-N 1 3 238.335 0.264 20 30 BCEDHO CCN(CC[NH3+])C(=O)[C@H](N)CCCCC#N ZINC000602534763 349602246 /nfs/dbraw/zinc/60/22/46/349602246.db2.gz KBEXFORCSCFUDH-SNVBAGLBSA-N 1 3 226.324 0.205 20 30 BCEDHO C[C@@H](CCC#N)C[NH2+]CC1(O)CCN(C)CC1 ZINC000602555761 349596991 /nfs/dbraw/zinc/59/69/91/349596991.db2.gz OWEWJQTUWXGOKX-LBPRGKRZSA-N 1 3 239.363 0.973 20 30 BCEDHO CC(C#N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396486427 347027954 /nfs/dbraw/zinc/02/79/54/347027954.db2.gz MNHOGPVTCSRVJD-VHSXEESVSA-N 1 3 223.320 0.993 20 30 BCEDHO CC(C)(CC#N)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000600736292 344365731 /nfs/dbraw/zinc/36/57/31/344365731.db2.gz OKXKLDULHCUYIW-GFCCVEGCSA-N 1 3 239.363 0.973 20 30 BCEDHO N#C[C@@H]1CC[C@H](N2C[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000378867408 345687981 /nfs/dbraw/zinc/68/79/81/345687981.db2.gz FCWQDBXPCUQQPR-KKOKHZNYSA-N 1 3 205.305 0.830 20 30 BCEDHO N#CCCN1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000601333198 347225537 /nfs/dbraw/zinc/22/55/37/347225537.db2.gz QBYWBGQMOALNLA-CYBMUJFWSA-N 1 3 236.363 0.517 20 30 BCEDHO C[C@H]([NH3+])CCNC(=O)[C@H](N)CCCCC#N ZINC000594426637 348053022 /nfs/dbraw/zinc/05/30/22/348053022.db2.gz QCKNUPICWOSPSG-VHSXEESVSA-N 1 3 226.324 0.251 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000594438813 348054263 /nfs/dbraw/zinc/05/42/63/348054263.db2.gz LZOYWWCIIKVZBJ-MNOVXSKESA-N 1 3 238.335 0.251 20 30 BCEDHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CCCCC#N ZINC000594442735 348054930 /nfs/dbraw/zinc/05/49/30/348054930.db2.gz UBBBDLXNINLVBH-MNOVXSKESA-N 1 3 240.351 0.512 20 30 BCEDHO CC(C)(CC[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594450212 348057524 /nfs/dbraw/zinc/05/75/24/348057524.db2.gz UJGDYNQZIGHMEP-SNVBAGLBSA-N 1 3 240.351 0.641 20 30 BCEDHO C[NH2+]C[C@@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000595984293 348418584 /nfs/dbraw/zinc/41/85/84/348418584.db2.gz RDZYEOASRNECEO-NXEZZACHSA-N 1 3 226.324 0.122 20 30 BCEDHO C[NH2+]C[C@@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000595984302 348418835 /nfs/dbraw/zinc/41/88/35/348418835.db2.gz RDZYEOASRNECEO-ZJUUUORDSA-N 1 3 226.324 0.122 20 30 BCEDHO C[NH2+]C[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000595984299 348418996 /nfs/dbraw/zinc/41/89/96/348418996.db2.gz RDZYEOASRNECEO-VHSXEESVSA-N 1 3 226.324 0.122 20 30 BCEDHO CC(C#N)C(=O)NCC1([NH+](C)C)CCC1 ZINC000097932544 350725069 /nfs/dbraw/zinc/72/50/69/350725069.db2.gz MTAHLECFCBAOON-VIFPVBQESA-N 1 3 209.293 0.747 20 30 BCEDHO CC[C@@H](C)NC(=[NH2+])NCC1=CCN(C)CC1 ZINC000271794618 351437150 /nfs/dbraw/zinc/43/71/50/351437150.db2.gz JSNQVOJKHPXNJA-SNVBAGLBSA-N 1 3 224.352 0.951 20 30 BCEDHO C=CCN1CCC(NC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638101426 351979510 /nfs/dbraw/zinc/97/95/10/351979510.db2.gz PRTLUXCQPPCZRL-LBPRGKRZSA-N 1 3 249.358 0.801 20 30 BCEDHO C#CCN(CC)CCOCC[N@H+](CC)CC#C ZINC000267466836 188261044 /nfs/dbraw/zinc/26/10/44/188261044.db2.gz WQVGRBYVOOOEMI-UHFFFAOYSA-N 1 3 236.359 0.913 20 30 BCEDHO C#CCN(CC)CCOCC[N@@H+](CC)CC#C ZINC000267466836 188261046 /nfs/dbraw/zinc/26/10/46/188261046.db2.gz WQVGRBYVOOOEMI-UHFFFAOYSA-N 1 3 236.359 0.913 20 30 BCEDHO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)C#N ZINC000345816994 354785260 /nfs/dbraw/zinc/78/52/60/354785260.db2.gz ONZJJSQSIHQRNG-ZJUUUORDSA-N 1 3 211.309 0.993 20 30 BCEDHO CC(C#N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336000687 134046491 /nfs/dbraw/zinc/04/64/91/134046491.db2.gz KLYVNKUNGHIBIG-QWRGUYRKSA-N 1 3 223.320 0.946 20 30 BCEDHO CC(C#N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336000687 134046492 /nfs/dbraw/zinc/04/64/92/134046492.db2.gz KLYVNKUNGHIBIG-QWRGUYRKSA-N 1 3 223.320 0.946 20 30 BCEDHO CC(C)[NH2+]CCCNC(=O)[C@@H](N)CCCC#N ZINC000580443125 359551716 /nfs/dbraw/zinc/55/17/16/359551716.db2.gz JJJWMJUNAANKRS-NSHDSACASA-N 1 3 240.351 0.512 20 30 BCEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000382830855 367562236 /nfs/dbraw/zinc/56/22/36/367562236.db2.gz IFWXYHDOXYHBTQ-ZIAGYGMSSA-N 1 3 237.391 0.871 20 30 BCEDHO CN(CCOCC[NH3+])Cc1cccc(C#N)c1 ZINC000600770910 369564793 /nfs/dbraw/zinc/56/47/93/369564793.db2.gz DSJLCOGMAHERIW-UHFFFAOYSA-N 1 3 233.315 0.965 20 30 BCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1=O ZINC000621784137 370536021 /nfs/dbraw/zinc/53/60/21/370536021.db2.gz KKMYEOCYDNLIRU-SGMGOOAPSA-N 1 3 249.358 0.587 20 30 BCEDHO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@]3(N)C2)C1=O ZINC000621784137 370536024 /nfs/dbraw/zinc/53/60/24/370536024.db2.gz KKMYEOCYDNLIRU-SGMGOOAPSA-N 1 3 249.358 0.587 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000236736139 384564780 /nfs/dbraw/zinc/56/47/80/384564780.db2.gz CBYFDVTWUUSYAX-LBPRGKRZSA-N 1 3 239.363 0.736 20 30 BCEDHO C=CCNC(=O)[C@@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000226328321 384982721 /nfs/dbraw/zinc/98/27/21/384982721.db2.gz QYXKUVZBZXDBEA-NEPJUHHUSA-N 1 3 239.363 0.738 20 30 BCEDHO C#CCNC(=[NH+]C)N1CC[C@H](N2CCCCC2)C1 ZINC000262440382 533140941 /nfs/dbraw/zinc/14/09/41/533140941.db2.gz HKEXFTPSTZYAFL-ZDUSSCGKSA-N 1 3 248.374 0.755 20 30 BCEDHO CCCC[N@H+](C)CCNC(=O)C(C)C#N ZINC000347119136 386235497 /nfs/dbraw/zinc/23/54/97/386235497.db2.gz WHXROFOLKTWSNS-SNVBAGLBSA-N 1 3 211.309 0.994 20 30 BCEDHO CCCC[N@@H+](C)CCNC(=O)C(C)C#N ZINC000347119136 386235503 /nfs/dbraw/zinc/23/55/03/386235503.db2.gz WHXROFOLKTWSNS-SNVBAGLBSA-N 1 3 211.309 0.994 20 30 BCEDHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@@H](C)N1 ZINC000424070358 387476314 /nfs/dbraw/zinc/47/63/14/387476314.db2.gz AJBYLANULJJYDZ-GMTAPVOTSA-N 1 3 238.335 0.216 20 30 BCEDHO CCCC[C@H](C[NH3+])NC(=O)[C@H](N)CCCC#N ZINC000424075942 387477846 /nfs/dbraw/zinc/47/78/46/387477846.db2.gz KOFPPAFGGQVFKQ-GHMZBOCLSA-N 1 3 240.351 0.641 20 30 BCEDHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424078834 387479909 /nfs/dbraw/zinc/47/99/09/387479909.db2.gz QICJNZQPRORYPO-QWRGUYRKSA-N 1 3 238.335 0.218 20 30 BCEDHO CC(C)C[C@H](C[NH3+])NC(=O)[C@H](N)CCCC#N ZINC000424080690 387482950 /nfs/dbraw/zinc/48/29/50/387482950.db2.gz TYHPVDLZOIGTLL-GHMZBOCLSA-N 1 3 240.351 0.497 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@H]2[NH3+])CC1 ZINC000424157053 387827617 /nfs/dbraw/zinc/82/76/17/387827617.db2.gz PAJWMLBXCMDDSV-WDEREUQCSA-N 1 3 223.320 0.100 20 30 BCEDHO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424173611 387873979 /nfs/dbraw/zinc/87/39/79/387873979.db2.gz FGVOWDQNKMRRSU-NXEZZACHSA-N 1 3 238.335 0.264 20 30 BCEDHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000045136904 387965175 /nfs/dbraw/zinc/96/51/75/387965175.db2.gz CWWVZYOWXCXJLS-QWRGUYRKSA-N 1 3 223.320 0.993 20 30 BCEDHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000045136904 387965180 /nfs/dbraw/zinc/96/51/80/387965180.db2.gz CWWVZYOWXCXJLS-QWRGUYRKSA-N 1 3 223.320 0.993 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252520243 135092205 /nfs/dbraw/zinc/09/22/05/135092205.db2.gz KJAGUKUXIZCUHQ-BBBLOLIVSA-N 1 3 209.293 0.745 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252520243 135092207 /nfs/dbraw/zinc/09/22/07/135092207.db2.gz KJAGUKUXIZCUHQ-BBBLOLIVSA-N 1 3 209.293 0.745 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000083907664 388066751 /nfs/dbraw/zinc/06/67/51/388066751.db2.gz VVYFJANOICSJIL-LBPRGKRZSA-N 1 3 237.347 0.505 20 30 BCEDHO C#CCNC(=O)CC[NH2+][C@H](C)C1=CCN(C)CC1 ZINC000491419417 388293274 /nfs/dbraw/zinc/29/32/74/388293274.db2.gz URIVREIWSDGSHN-GFCCVEGCSA-N 1 3 249.358 0.366 20 30 BCEDHO C#CCN(C)CCOCC[N@H+](C)CC#C ZINC000491730998 388315653 /nfs/dbraw/zinc/31/56/53/388315653.db2.gz LVYUNXZTBFXJIX-UHFFFAOYSA-N 1 3 208.305 0.133 20 30 BCEDHO C#CCN(C)CCOCC[N@@H+](C)CC#C ZINC000491730998 388315654 /nfs/dbraw/zinc/31/56/54/388315654.db2.gz LVYUNXZTBFXJIX-UHFFFAOYSA-N 1 3 208.305 0.133 20 30 BCEDHO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C)C[C@@H]1C ZINC000246223563 388624341 /nfs/dbraw/zinc/62/43/41/388624341.db2.gz DQSFSSMYKKWQIA-QJPTWQEYSA-N 1 3 239.363 0.607 20 30 BCEDHO CN(C)C(=[NH+]CC1=CCN(C)CC1)N(C)C ZINC000263195130 135125386 /nfs/dbraw/zinc/12/53/86/135125386.db2.gz ZWMZDSSUUMKLLG-UHFFFAOYSA-N 1 3 224.352 0.728 20 30 BCEDHO CNC(=[NH2+])NCCCN1CCc2ccccc2C1 ZINC000264113727 135133788 /nfs/dbraw/zinc/13/37/88/135133788.db2.gz RXHIWHYUFNCEOT-UHFFFAOYSA-N 1 3 246.358 0.969 20 30 BCEDHO C=CCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261531344 135159751 /nfs/dbraw/zinc/15/97/51/135159751.db2.gz GEOWDUWWGIZERW-GFCCVEGCSA-N 1 3 209.337 0.542 20 30 BCEDHO C[C@@H]1C[NH+]=C(NCCN2CCCCCC2)N1 ZINC000261595455 135235145 /nfs/dbraw/zinc/23/51/45/135235145.db2.gz YDYLCSHOCYJKIJ-LLVKDONJSA-N 1 3 224.352 0.800 20 30 BCEDHO C[C@H]1CN(C(=[NH2+])NCCNC(C)(C)C)CCO1 ZINC000262469258 135301262 /nfs/dbraw/zinc/30/12/62/135301262.db2.gz OKFXGHBSUSMFAD-JTQLQIEISA-N 1 3 242.367 0.410 20 30 BCEDHO CN1CC[NH+]=C1NCCNc1ccncc1 ZINC000262636401 135310585 /nfs/dbraw/zinc/31/05/85/135310585.db2.gz GYOMQXUGVNEPJN-UHFFFAOYSA-N 1 3 219.292 0.385 20 30 BCEDHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)C#N)C1 ZINC000347758860 136012116 /nfs/dbraw/zinc/01/21/16/136012116.db2.gz YYEOAHHIVYTSLJ-QWRGUYRKSA-N 1 3 223.320 0.946 20 30 BCEDHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)C#N)C1 ZINC000347758860 136012117 /nfs/dbraw/zinc/01/21/17/136012117.db2.gz YYEOAHHIVYTSLJ-QWRGUYRKSA-N 1 3 223.320 0.946 20 30 BCEDHO C=C[C@H](CO)[NH2+]CC[C@H]1CCCCN1C ZINC000662166299 411999785 /nfs/dbraw/zinc/99/97/85/411999785.db2.gz ZKTHXZQNDHVEJX-VXGBXAGGSA-N 1 3 212.337 0.997 20 30 BCEDHO C=CC[C@@]1(C(=O)N2CCCNCC2)CCC[NH2+]1 ZINC000662395296 412144149 /nfs/dbraw/zinc/14/41/49/412144149.db2.gz DRXCVOKCOTVGBQ-ZDUSSCGKSA-N 1 3 237.347 0.507 20 30 BCEDHO C=CCCCN1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000566571956 326065812 /nfs/dbraw/zinc/06/58/12/326065812.db2.gz IBSVDTFWBNFYAL-MNOVXSKESA-N 1 3 223.320 0.196 20 30 BCEDHO C=CCCC[N@@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304628037 534718653 /nfs/dbraw/zinc/71/86/53/534718653.db2.gz VBEPWXHQZTUJOD-CYBMUJFWSA-N 1 3 223.364 0.932 20 30 BCEDHO C=CCCC[N@H+]1CC[C@@H](N2CCNCC2)C1 ZINC000304628037 534718661 /nfs/dbraw/zinc/71/86/61/534718661.db2.gz VBEPWXHQZTUJOD-CYBMUJFWSA-N 1 3 223.364 0.932 20 30 BCEDHO CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)C#N ZINC000488163287 528035694 /nfs/dbraw/zinc/03/56/94/528035694.db2.gz FEEYMWRKVNQYLS-GHMZBOCLSA-N 1 3 241.335 0.619 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCC#N ZINC000849023231 582829996 /nfs/dbraw/zinc/82/99/96/582829996.db2.gz AANIFWQXWSLHQT-SNVBAGLBSA-N 1 3 223.324 0.498 20 30 BCEDHO CN1CCC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000203023349 583962208 /nfs/dbraw/zinc/96/22/08/583962208.db2.gz NPTKJKNFANRKOH-VIFPVBQESA-N 1 3 210.325 0.395 20 30 BCEDHO C=CCN1CC[C@H](N(C)C[C@H]2C[C@@H]([NH3+])C2)C1=O ZINC000904342717 584867376 /nfs/dbraw/zinc/86/73/76/584867376.db2.gz OGEFCZJSBHWDFH-TUAOUCFPSA-N 1 3 237.347 0.442 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876514928 584885526 /nfs/dbraw/zinc/88/55/26/584885526.db2.gz VMPDNNHPNRGOHN-ZJUUUORDSA-N 1 3 245.754 0.715 20 30 BCEDHO C[C@@H]1CNC(NN=C2CCN(C)[C@H](C)C2)=[NH+]1 ZINC000779794152 585763661 /nfs/dbraw/zinc/76/36/61/585763661.db2.gz CZKCKTARZOCARL-RKDXNWHRSA-N 1 3 223.324 0.394 20 30 BCEDHO C[NH+](C)[C@H]1CCCC(=Nn2cnnc2)C1 ZINC000788408606 585922619 /nfs/dbraw/zinc/92/26/19/585922619.db2.gz MRLGXPFPCBCHJP-JTQLQIEISA-N 1 3 207.281 0.986 20 30 BCEDHO CC(=NNC(=N)N)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814796683 586634430 /nfs/dbraw/zinc/63/44/30/586634430.db2.gz LKUSKJYLMGINDJ-UHFFFAOYSA-N 1 3 245.330 0.582 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@H](C)[NH+](C)C ZINC000822461197 587169342 /nfs/dbraw/zinc/16/93/42/587169342.db2.gz SMVJIEOSIAMFNE-JTQLQIEISA-N 1 3 213.325 0.171 20 30 BCEDHO C=CCNC(=[NH2+])NCCN1CC[C@H](C)C1 ZINC000849004776 588432120 /nfs/dbraw/zinc/43/21/20/588432120.db2.gz ZBQDJFWILHCHRN-JTQLQIEISA-N 1 3 210.325 0.628 20 30 BCEDHO C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)[C@H](C)CN1 ZINC000852874137 588709967 /nfs/dbraw/zinc/70/99/67/588709967.db2.gz HZEPDKBSTSYMPP-VXGBXAGGSA-N 1 3 249.358 0.198 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000203019309 589208742 /nfs/dbraw/zinc/20/87/42/589208742.db2.gz MJQXORKNMDDIIQ-JTQLQIEISA-N 1 3 210.325 0.537 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876500987 590202908 /nfs/dbraw/zinc/20/29/08/590202908.db2.gz LNSOXBQRNAJILI-RKDXNWHRSA-N 1 3 231.727 0.406 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000876508081 590204849 /nfs/dbraw/zinc/20/48/49/590204849.db2.gz IFKVDOWWFLHTOB-JTQLQIEISA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514786 590206669 /nfs/dbraw/zinc/20/66/69/590206669.db2.gz ZKOZMCGYQKBLAC-VHSXEESVSA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000876528061 590208980 /nfs/dbraw/zinc/20/89/80/590208980.db2.gz JTXJFHIJEAPARH-IUCAKERBSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000876528059 590209257 /nfs/dbraw/zinc/20/92/57/590209257.db2.gz JTXJFHIJEAPARH-BDAKNGLRSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000876529417 590209507 /nfs/dbraw/zinc/20/95/07/590209507.db2.gz COGNVHMTLYZJCB-GUBZILKMSA-N 1 3 245.754 0.665 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000876529081 590209681 /nfs/dbraw/zinc/20/96/81/590209681.db2.gz DZMOKDMMUPTJDL-ONGXEEELSA-N 1 3 245.754 0.700 20 30 BCEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000876529418 590209715 /nfs/dbraw/zinc/20/97/15/590209715.db2.gz COGNVHMTLYZJCB-KXUCPTDWSA-N 1 3 245.754 0.665 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000876532448 590210363 /nfs/dbraw/zinc/21/03/63/590210363.db2.gz HEUYEXGVWMGLKC-UWVGGRQHSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC000876531913 590210411 /nfs/dbraw/zinc/21/04/11/590210411.db2.gz STZBKTVDKOHLIX-HTQZYQBOSA-N 1 3 219.716 0.262 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000876541250 590212042 /nfs/dbraw/zinc/21/20/42/590212042.db2.gz VZZUIWJCGDLQGB-UWVGGRQHSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000876541252 590212375 /nfs/dbraw/zinc/21/23/75/590212375.db2.gz VZZUIWJCGDLQGB-ZJUUUORDSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[NH+](CC)CC ZINC000876706682 590232156 /nfs/dbraw/zinc/23/21/56/590232156.db2.gz BVKHANQJBRNGCR-JTQLQIEISA-N 1 3 247.770 0.914 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000876738529 590235046 /nfs/dbraw/zinc/23/50/46/590235046.db2.gz GFCZOEXBMDGNSR-NXEZZACHSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000876829014 590246904 /nfs/dbraw/zinc/24/69/04/590246904.db2.gz NKXHPBVJLFCKHN-AEJSXWLSSA-N 1 3 245.754 0.842 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000876863553 590250962 /nfs/dbraw/zinc/25/09/62/590250962.db2.gz GRNRALZQSVQBIA-JGVFFNPUSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000876868005 590251296 /nfs/dbraw/zinc/25/12/96/590251296.db2.gz SROOMNHGKUXCDW-SECBINFHSA-N 1 3 245.754 0.796 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000876871636 590251934 /nfs/dbraw/zinc/25/19/34/590251934.db2.gz MYOVLLJPISJWQG-VIFPVBQESA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000876938603 590258839 /nfs/dbraw/zinc/25/88/39/590258839.db2.gz JZFNQZBXTLCLLU-JTQLQIEISA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000876953121 590261178 /nfs/dbraw/zinc/26/11/78/590261178.db2.gz YQSIRJQGJCERED-BBBLOLIVSA-N 1 3 245.754 0.795 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000876963930 590261967 /nfs/dbraw/zinc/26/19/67/590261967.db2.gz LLAPMHXYWLGREF-SECBINFHSA-N 1 3 245.754 0.844 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000877173009 590296754 /nfs/dbraw/zinc/29/67/54/590296754.db2.gz WWEBCZOYUBFTMS-CIUDSAMLSA-N 1 3 231.727 0.404 20 30 BCEDHO C#CCCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878867048 590634367 /nfs/dbraw/zinc/63/43/67/590634367.db2.gz ZJOFIIDKINPASS-ZDUSSCGKSA-N 1 3 224.348 0.788 20 30 BCEDHO C#CC[C@H](CO)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883125604 591544750 /nfs/dbraw/zinc/54/47/50/591544750.db2.gz OEXMUTZKTQEFEV-VXGBXAGGSA-N 1 3 224.348 0.833 20 30 BCEDHO C#CC[C@H](CO)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883125604 591544753 /nfs/dbraw/zinc/54/47/53/591544753.db2.gz OEXMUTZKTQEFEV-VXGBXAGGSA-N 1 3 224.348 0.833 20 30 BCEDHO C#CCCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000178586237 635536723 /nfs/dbraw/zinc/53/67/23/635536723.db2.gz PDZXMBUPWTYQMW-LBPRGKRZSA-N 1 3 236.363 0.788 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@H]1C ZINC000928427606 635904364 /nfs/dbraw/zinc/90/43/64/635904364.db2.gz KDWZSCIJTADEMA-NWDGAFQWSA-N 1 3 239.363 0.703 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000911671098 639697301 /nfs/dbraw/zinc/69/73/01/639697301.db2.gz WKEDXHUYDIZBFH-GFCCVEGCSA-N 1 3 239.363 0.867 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692802 639729345 /nfs/dbraw/zinc/72/93/45/639729345.db2.gz XKCIQVFSTOKRIY-GFCCVEGCSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]([NH3+])C1 ZINC000911738134 639764929 /nfs/dbraw/zinc/76/49/29/639764929.db2.gz GVYFGTUFURIYRI-UWVGGRQHSA-N 1 3 211.309 0.230 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911802353 639824956 /nfs/dbraw/zinc/82/49/56/639824956.db2.gz JECCBAGPXGJFPX-DGCLKSJQSA-N 1 3 239.363 0.914 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911851738 639858740 /nfs/dbraw/zinc/85/87/40/639858740.db2.gz JCADCQQBIMTMOR-MNOVXSKESA-N 1 3 225.336 0.620 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCF ZINC000305106018 642643029 /nfs/dbraw/zinc/64/30/29/642643029.db2.gz BKZBKQNGALVAFN-SNVBAGLBSA-N 1 3 230.331 0.735 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC000968912992 642821794 /nfs/dbraw/zinc/82/17/94/642821794.db2.gz ZNJDGROTHRHMBY-OLZOCXBDSA-N 1 3 249.358 0.150 20 30 BCEDHO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019436006 643033494 /nfs/dbraw/zinc/03/34/94/643033494.db2.gz PLDMUKQBOUHGRB-NSHDSACASA-N 1 3 248.330 0.719 20 30 BCEDHO C=CCC[C@@H](O)CN1CC[C@@H](C[NH2+]C)C1 ZINC000923286006 644321203 /nfs/dbraw/zinc/32/12/03/644321203.db2.gz KXMYHMPSHICNBP-NWDGAFQWSA-N 1 3 212.337 0.855 20 30 BCEDHO C=CCNC(=O)CN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923504003 644475515 /nfs/dbraw/zinc/47/55/15/644475515.db2.gz NTBAHZDDHCHMQL-QWRGUYRKSA-N 1 3 225.336 0.205 20 30 BCEDHO CC(C)N(C)CC[NH+]=C(N(C)C)N(C)C ZINC000303989801 644863282 /nfs/dbraw/zinc/86/32/82/644863282.db2.gz XWONDANPBHMXRX-UHFFFAOYSA-N 1 3 214.357 0.806 20 30 BCEDHO C=C(C)C[C@H](CO)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000925773115 646473019 /nfs/dbraw/zinc/47/30/19/646473019.db2.gz WWYUTZTZDIJOCK-GRYCIOLGSA-N 1 3 212.337 0.901 20 30 BCEDHO C[C@H](CC(C)(C)C#N)NC[C@]1(O)CC[N@H+](C)C1 ZINC000705374005 712130697 /nfs/dbraw/zinc/13/06/97/712130697.db2.gz FXMDJBDOMOPKJS-DGCLKSJQSA-N 1 3 239.363 0.971 20 30 BCEDHO C[C@H](CC(C)(C)C#N)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000705374005 712130699 /nfs/dbraw/zinc/13/06/99/712130699.db2.gz FXMDJBDOMOPKJS-DGCLKSJQSA-N 1 3 239.363 0.971 20 30 BCEDHO C[C@H](CC(C)(C)C#N)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000705374012 712130902 /nfs/dbraw/zinc/13/09/02/712130902.db2.gz FXMDJBDOMOPKJS-YPMHNXCESA-N 1 3 239.363 0.971 20 30 BCEDHO C[C@H](CC(C)(C)C#N)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000705374012 712130904 /nfs/dbraw/zinc/13/09/04/712130904.db2.gz FXMDJBDOMOPKJS-YPMHNXCESA-N 1 3 239.363 0.971 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@@H]1C ZINC000876796312 712629725 /nfs/dbraw/zinc/62/97/25/712629725.db2.gz KFLLCEWLXIHVSO-GUBZILKMSA-N 1 3 245.754 0.665 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600312354 343245853 /nfs/dbraw/zinc/24/58/53/343245853.db2.gz FRROSWBJTSCQFX-GHMZBOCLSA-N 1 3 223.320 0.994 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600312354 343245855 /nfs/dbraw/zinc/24/58/55/343245855.db2.gz FRROSWBJTSCQFX-GHMZBOCLSA-N 1 3 223.320 0.994 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600312357 343245998 /nfs/dbraw/zinc/24/59/98/343245998.db2.gz FRROSWBJTSCQFX-WDEREUQCSA-N 1 3 223.320 0.994 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600312357 343245999 /nfs/dbraw/zinc/24/59/99/343245999.db2.gz FRROSWBJTSCQFX-WDEREUQCSA-N 1 3 223.320 0.994 20 30 BCEDHO CC(C#N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396486429 347027912 /nfs/dbraw/zinc/02/79/12/347027912.db2.gz MNHOGPVTCSRVJD-ZJUUUORDSA-N 1 3 223.320 0.993 20 30 BCEDHO CNC[C@@](C)(O)C[NH+]1CCC(CCC#N)CC1 ZINC000563271143 323107168 /nfs/dbraw/zinc/10/71/68/323107168.db2.gz LXUBLYWKEDJTIB-CYBMUJFWSA-N 1 3 239.363 0.973 20 30 BCEDHO CC[NH2+]CCCNC(=O)[C@H](N)CCCCC#N ZINC000594425142 348051315 /nfs/dbraw/zinc/05/13/15/348051315.db2.gz KDONHLCZSJCCCG-LLVKDONJSA-N 1 3 240.351 0.513 20 30 BCEDHO C[NH+](C)CCCNC(=O)[C@H](N)CCCCC#N ZINC000594445371 348055617 /nfs/dbraw/zinc/05/56/17/348055617.db2.gz DQNNVKOUWKZPMR-LLVKDONJSA-N 1 3 240.351 0.466 20 30 BCEDHO C[C@H](CCNC(=O)[C@@H](N)CCCC#N)[NH+](C)C ZINC000595936345 348408690 /nfs/dbraw/zinc/40/86/90/348408690.db2.gz BHCHNDYZIUUCEP-MNOVXSKESA-N 1 3 240.351 0.464 20 30 BCEDHO CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)CCCCC#N ZINC000595934970 348391563 /nfs/dbraw/zinc/39/15/63/348391563.db2.gz PMESAYMZTOXQRW-JTQLQIEISA-N 1 3 240.351 0.593 20 30 BCEDHO CN(CC(C)(C)[NH3+])C(=O)[C@@H](N)CCCC#N ZINC000595934231 348393655 /nfs/dbraw/zinc/39/36/55/348393655.db2.gz LGWKYRYICZIBOT-VIFPVBQESA-N 1 3 226.324 0.203 20 30 BCEDHO CC(C#N)C(=O)NCC1([NH+](C)C)CCC1 ZINC000097932545 350724954 /nfs/dbraw/zinc/72/49/54/350724954.db2.gz MTAHLECFCBAOON-SECBINFHSA-N 1 3 209.293 0.747 20 30 BCEDHO C=CCN1CCC(NC(=O)C(C)(C)[NH3+])CC1 ZINC000083907663 166352920 /nfs/dbraw/zinc/35/29/20/166352920.db2.gz CUJKQRKKKUTLSE-UHFFFAOYSA-N 1 3 225.336 0.490 20 30 BCEDHO CC(C#N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000134882405 358810400 /nfs/dbraw/zinc/81/04/00/358810400.db2.gz CLGIZVANVVTUBE-JTQLQIEISA-N 1 3 223.320 0.994 20 30 BCEDHO C=CC[C@H](CO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629584816 361473755 /nfs/dbraw/zinc/47/37/55/361473755.db2.gz URAAAOPXXPLHOX-QWHCGFSZSA-N 1 3 242.363 0.217 20 30 BCEDHO CC(C#N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000078724257 384077628 /nfs/dbraw/zinc/07/76/28/384077628.db2.gz GLRKKLOZXBXAHE-VHSXEESVSA-N 1 3 209.293 0.699 20 30 BCEDHO C=CCOCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000304250882 384114037 /nfs/dbraw/zinc/11/40/37/384114037.db2.gz QXJLEBFTDVOFNE-LBPRGKRZSA-N 1 3 228.336 0.235 20 30 BCEDHO CC(C)[N@H+](C)CCCNC(=O)C(C)C#N ZINC000227770339 134394063 /nfs/dbraw/zinc/39/40/63/134394063.db2.gz SWKRJGRWPGQMPT-SNVBAGLBSA-N 1 3 211.309 0.993 20 30 BCEDHO CC(C)[N@@H+](C)CCCNC(=O)C(C)C#N ZINC000227770339 134394065 /nfs/dbraw/zinc/39/40/65/134394065.db2.gz SWKRJGRWPGQMPT-SNVBAGLBSA-N 1 3 211.309 0.993 20 30 BCEDHO N#CCCC[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000424055791 387472429 /nfs/dbraw/zinc/47/24/29/387472429.db2.gz FLQQPTOGMOQVLJ-GHMZBOCLSA-N 1 3 238.335 0.347 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000424079658 387481060 /nfs/dbraw/zinc/48/10/60/387481060.db2.gz RMKJWYLNJDAHNR-GARJFASQSA-N 1 3 238.335 0.251 20 30 BCEDHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@H](N)CCCC#N ZINC000424080693 387482355 /nfs/dbraw/zinc/48/23/55/387482355.db2.gz TYHPVDLZOIGTLL-WDEREUQCSA-N 1 3 240.351 0.497 20 30 BCEDHO C[C@](C[NH3+])(NC(=O)[C@H](N)CCCC#N)C1CC1 ZINC000424086040 387486452 /nfs/dbraw/zinc/48/64/52/387486452.db2.gz ZWDQNCYJGKFWHN-ZYHUDNBSSA-N 1 3 238.335 0.251 20 30 BCEDHO C=CCN1CCC(NC(=O)CC[NH3+])CC1 ZINC000430712644 387643153 /nfs/dbraw/zinc/64/31/53/387643153.db2.gz BGKMDAGJJTWNJG-UHFFFAOYSA-N 1 3 211.309 0.102 20 30 BCEDHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)CN1 ZINC000424156352 387822126 /nfs/dbraw/zinc/82/21/26/387822126.db2.gz OYXXVKVOLCRIHQ-OUAUKWLOSA-N 1 3 238.335 0.216 20 30 BCEDHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424154234 387815191 /nfs/dbraw/zinc/81/51/91/387815191.db2.gz JHILJWKEXQULAP-OUAUKWLOSA-N 1 3 238.335 0.122 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000424154664 387815928 /nfs/dbraw/zinc/81/59/28/387815928.db2.gz JZCHTRNBAQXGGD-AXFHLTTASA-N 1 3 238.335 0.394 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000424154669 387816275 /nfs/dbraw/zinc/81/62/75/387816275.db2.gz JZCHTRNBAQXGGD-MXWKQRLJSA-N 1 3 238.335 0.394 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044828085 387944167 /nfs/dbraw/zinc/94/41/67/387944167.db2.gz IXBPGSINFCQQKJ-ZJUUUORDSA-N 1 3 209.293 0.604 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044828085 387944174 /nfs/dbraw/zinc/94/41/74/387944174.db2.gz IXBPGSINFCQQKJ-ZJUUUORDSA-N 1 3 209.293 0.604 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000084796686 388081498 /nfs/dbraw/zinc/08/14/98/388081498.db2.gz BMAALPHBTLHCEC-GMTAPVOTSA-N 1 3 221.304 0.889 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000084796686 388081501 /nfs/dbraw/zinc/08/15/01/388081501.db2.gz BMAALPHBTLHCEC-GMTAPVOTSA-N 1 3 221.304 0.889 20 30 BCEDHO C#CCNC(=O)CCN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000491439812 388294607 /nfs/dbraw/zinc/29/46/07/388294607.db2.gz LYUGZHOARGBCFZ-AWEZNQCLSA-N 1 3 249.358 0.154 20 30 BCEDHO C#CCNC(=O)CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000491439812 388294609 /nfs/dbraw/zinc/29/46/09/388294609.db2.gz LYUGZHOARGBCFZ-AWEZNQCLSA-N 1 3 249.358 0.154 20 30 BCEDHO C#CCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378314681 134245705 /nfs/dbraw/zinc/24/57/05/134245705.db2.gz HWBMJWOAMJNPEA-HUUCEWRRSA-N 1 3 249.402 0.968 20 30 BCEDHO C=CCN1CCC(NC(=O)C[C@H](C)[NH3+])CC1 ZINC000261907452 135261521 /nfs/dbraw/zinc/26/15/21/135261521.db2.gz VXLPKZKVWRXYKR-JTQLQIEISA-N 1 3 225.336 0.490 20 30 BCEDHO C=CCN1CCC(NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261907453 135261556 /nfs/dbraw/zinc/26/15/56/135261556.db2.gz VXLPKZKVWRXYKR-SNVBAGLBSA-N 1 3 225.336 0.490 20 30 BCEDHO C[C@@H]1C[NH+]=C(NCC2=CCN(C)CC2)N1 ZINC000262481065 135301931 /nfs/dbraw/zinc/30/19/31/135301931.db2.gz CYJYYEWCWDJHPJ-SECBINFHSA-N 1 3 208.309 0.186 20 30 BCEDHO CN1CC=C(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000263165032 135336577 /nfs/dbraw/zinc/33/65/77/135336577.db2.gz PVNGILVNHICYDP-UHFFFAOYSA-N 1 3 236.363 0.953 20 30 BCEDHO CC#CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000334367676 135374729 /nfs/dbraw/zinc/37/47/29/135374729.db2.gz RJLZCODQLNMFPT-GJZGRUSLSA-N 1 3 249.402 0.968 20 30 BCEDHO CC#CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000334367676 135374731 /nfs/dbraw/zinc/37/47/31/135374731.db2.gz RJLZCODQLNMFPT-GJZGRUSLSA-N 1 3 249.402 0.968 20 30 BCEDHO C=CC[NH+](CC=C)[C@@H](CNC(=O)CN)C(C)C ZINC000165200153 166337031 /nfs/dbraw/zinc/33/70/31/166337031.db2.gz QLDWVBZRCNPLMM-LBPRGKRZSA-N 1 3 239.363 0.760 20 30 BCEDHO C=CC[C@]1(C(=O)N2CCCNCC2)CCC[NH2+]1 ZINC000662395293 412144564 /nfs/dbraw/zinc/14/45/64/412144564.db2.gz DRXCVOKCOTVGBQ-CYBMUJFWSA-N 1 3 237.347 0.507 20 30 BCEDHO C=CCOCCN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+] ZINC000665275012 412218528 /nfs/dbraw/zinc/21/85/28/412218528.db2.gz ARXMVILDOLOWNM-QJPTWQEYSA-N 1 3 228.336 0.531 20 30 BCEDHO CC(C)(C)[NH2+]CCNC(=O)[C@@H](N)CCCC#N ZINC000572599068 322965489 /nfs/dbraw/zinc/96/54/89/322965489.db2.gz MLNPWZONIHBONZ-JTQLQIEISA-N 1 3 240.351 0.512 20 30 BCEDHO CNC(=[NH2+])NCc1cccc(CN(C)C)c1 ZINC000264076388 536305358 /nfs/dbraw/zinc/30/53/58/536305358.db2.gz FVIYBQHEHCFGRK-UHFFFAOYSA-N 1 3 220.320 0.782 20 30 BCEDHO C=CCNC(=[NH2+])NCCCN(C)CCOC ZINC000066245511 534519301 /nfs/dbraw/zinc/51/93/01/534519301.db2.gz NNGZTJAVAQRVOO-UHFFFAOYSA-N 1 3 228.340 0.045 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CC12CC2 ZINC000263066222 535597584 /nfs/dbraw/zinc/59/75/84/535597584.db2.gz OEKPPOGDSNGSLO-WDEREUQCSA-N 1 3 236.363 0.928 20 30 BCEDHO CN(C)C[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000338995826 535965004 /nfs/dbraw/zinc/96/50/04/535965004.db2.gz IAFCMLXCHCUHKU-GFCCVEGCSA-N 1 3 225.336 0.800 20 30 BCEDHO CN(C)C[C@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000338995826 535965011 /nfs/dbraw/zinc/96/50/11/535965011.db2.gz IAFCMLXCHCUHKU-GFCCVEGCSA-N 1 3 225.336 0.800 20 30 BCEDHO C=C(CN(C)C)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854655204 588799465 /nfs/dbraw/zinc/79/94/65/588799465.db2.gz OTRMZXPAGNKKCV-NEPJUHHUSA-N 1 3 239.363 0.655 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCC#N ZINC000849023230 582829929 /nfs/dbraw/zinc/82/99/29/582829929.db2.gz AANIFWQXWSLHQT-JTQLQIEISA-N 1 3 223.324 0.498 20 30 BCEDHO COC[C@@H](C)NC(=[NH2+])NCC(C)(C)CN(C)C ZINC000104153687 583112540 /nfs/dbraw/zinc/11/25/40/583112540.db2.gz SDAQARQHYWFNSV-SNVBAGLBSA-N 1 3 244.383 0.513 20 30 BCEDHO N#CCCN1CCN(C[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000903475725 584776892 /nfs/dbraw/zinc/77/68/92/584776892.db2.gz BJVAYRMBNBEFAW-QWHCGFSZSA-N 1 3 236.363 0.645 20 30 BCEDHO C=CCN(C)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903747243 584794803 /nfs/dbraw/zinc/79/48/03/584794803.db2.gz QKZZBXTUHCQFDV-NEPJUHHUSA-N 1 3 210.321 0.873 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000764493956 585466744 /nfs/dbraw/zinc/46/67/44/585466744.db2.gz LBIPOWTYFXCSHW-UHFFFAOYSA-N 1 3 239.363 0.705 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC[N@H+](CC)C1CC1 ZINC000764493956 585466745 /nfs/dbraw/zinc/46/67/45/585466745.db2.gz LBIPOWTYFXCSHW-UHFFFAOYSA-N 1 3 239.363 0.705 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000764504416 585467052 /nfs/dbraw/zinc/46/70/52/585467052.db2.gz BXCSSNJMFIUNGP-LLVKDONJSA-N 1 3 227.352 0.561 20 30 BCEDHO C#CC[N@H+](C)CCCNC(=O)CN1CCCC1 ZINC000823187610 587207641 /nfs/dbraw/zinc/20/76/41/587207641.db2.gz INDJSWSKLJOIQW-UHFFFAOYSA-N 1 3 237.347 0.154 20 30 BCEDHO C#CC[N@@H+](C)CCCNC(=O)CN1CCCC1 ZINC000823187610 587207643 /nfs/dbraw/zinc/20/76/43/587207643.db2.gz INDJSWSKLJOIQW-UHFFFAOYSA-N 1 3 237.347 0.154 20 30 BCEDHO C=C(CN(C)C)C(=O)NC(C)(C)C[NH+](C)C ZINC000837239738 587860793 /nfs/dbraw/zinc/86/07/93/587860793.db2.gz XTOWWEMXYJOICO-UHFFFAOYSA-N 1 3 227.352 0.561 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C#N ZINC000849003858 588431691 /nfs/dbraw/zinc/43/16/91/588431691.db2.gz KHROODVZFNARNW-GHMZBOCLSA-N 1 3 237.351 0.744 20 30 BCEDHO C[C@@H]1CCN(CC[NH+]=C(N(C)C)N(C)C)C1 ZINC000849004693 588432242 /nfs/dbraw/zinc/43/22/42/588432242.db2.gz WHGJKEYAAXKCDK-LLVKDONJSA-N 1 3 226.368 0.807 20 30 BCEDHO CCNC(NC[C@@H]1CCCN(C)C1)=[NH+]CC ZINC000108638498 588479423 /nfs/dbraw/zinc/47/94/23/588479423.db2.gz GYUXDYHHSXJEKU-NSHDSACASA-N 1 3 226.368 0.903 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876503656 590204231 /nfs/dbraw/zinc/20/42/31/590204231.db2.gz BMPSTSQQTYVENG-HTQZYQBOSA-N 1 3 217.700 0.016 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH2+]C ZINC000876507836 590204977 /nfs/dbraw/zinc/20/49/77/590204977.db2.gz ONGDJCXRPFPMLO-QMMMGPOBSA-N 1 3 219.716 0.182 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000876532449 590210197 /nfs/dbraw/zinc/21/01/97/590210197.db2.gz HEUYEXGVWMGLKC-VHSXEESVSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000876532068 590210354 /nfs/dbraw/zinc/21/03/54/590210354.db2.gz AWZOAGYYBVOLIZ-JEZHCXPESA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000876536404 590211206 /nfs/dbraw/zinc/21/12/06/590211206.db2.gz BZEPCVWGKWXEJZ-BDAKNGLRSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000876536407 590211385 /nfs/dbraw/zinc/21/13/85/590211385.db2.gz BZEPCVWGKWXEJZ-RKDXNWHRSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000876728227 590233527 /nfs/dbraw/zinc/23/35/27/590233527.db2.gz YRNNGFBIBUVPAA-VHSXEESVSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000876728227 590233529 /nfs/dbraw/zinc/23/35/29/590233529.db2.gz YRNNGFBIBUVPAA-VHSXEESVSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000876728228 590233828 /nfs/dbraw/zinc/23/38/28/590233828.db2.gz YRNNGFBIBUVPAA-ZJUUUORDSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000876728228 590233830 /nfs/dbraw/zinc/23/38/30/590233830.db2.gz YRNNGFBIBUVPAA-ZJUUUORDSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000876788631 590240962 /nfs/dbraw/zinc/24/09/62/590240962.db2.gz PVJMMZJRDUFFJB-AEJSXWLSSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)CC[NH2+]C ZINC000876791410 590241227 /nfs/dbraw/zinc/24/12/27/590241227.db2.gz DMZYERGCEOUKCF-QMMMGPOBSA-N 1 3 219.716 0.134 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[NH2+]CCC ZINC000876789510 590241360 /nfs/dbraw/zinc/24/13/60/590241360.db2.gz CMKNLEXHVJCOLS-VIFPVBQESA-N 1 3 233.743 0.572 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000876826004 590246405 /nfs/dbraw/zinc/24/64/05/590246405.db2.gz AXFZYWYUJAWOBR-VHSXEESVSA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000876960842 590261430 /nfs/dbraw/zinc/26/14/30/590261430.db2.gz ODCNAGGJLJVCOF-VHSXEESVSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000876963931 590261829 /nfs/dbraw/zinc/26/18/29/590261829.db2.gz LLAPMHXYWLGREF-VIFPVBQESA-N 1 3 245.754 0.844 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[NH2+]C ZINC000876977700 590263907 /nfs/dbraw/zinc/26/39/07/590263907.db2.gz BEVCYGJDGMJZIX-YUMQZZPRSA-N 1 3 219.716 0.180 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876976994 590264104 /nfs/dbraw/zinc/26/41/04/590264104.db2.gz QKJVJOYYWOBUND-YUCVTWSNSA-N 1 3 243.738 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000877048819 590273821 /nfs/dbraw/zinc/27/38/21/590273821.db2.gz AHUQXFRJGKJDAV-GUBZILKMSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877107732 590285817 /nfs/dbraw/zinc/28/58/17/590285817.db2.gz KSCFJGFMRAGURD-YUMQZZPRSA-N 1 3 219.716 0.262 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167987 590295416 /nfs/dbraw/zinc/29/54/16/590295416.db2.gz CBMVWTGUACGQJV-CIUDSAMLSA-N 1 3 229.711 0.029 20 30 BCEDHO C#CCNC(=O)CN1CCC2(C1)CC[NH+](C)CC2 ZINC000878864879 590635123 /nfs/dbraw/zinc/63/51/23/590635123.db2.gz BXADALAZUVPVFM-UHFFFAOYSA-N 1 3 249.358 0.154 20 30 BCEDHO C#CCN1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028981170 635861033 /nfs/dbraw/zinc/86/10/33/635861033.db2.gz JDGTZKWNYNHZRS-QWHCGFSZSA-N 1 3 249.358 0.009 20 30 BCEDHO C#CCN1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028981170 635861035 /nfs/dbraw/zinc/86/10/35/635861035.db2.gz JDGTZKWNYNHZRS-QWHCGFSZSA-N 1 3 249.358 0.009 20 30 BCEDHO C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987069304 636622660 /nfs/dbraw/zinc/62/26/60/636622660.db2.gz PLYQIIPSSHUSCD-JQWIXIFHSA-N 1 3 248.330 0.717 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911624262 639684811 /nfs/dbraw/zinc/68/48/11/639684811.db2.gz QTCQALHFONCUNK-GHMZBOCLSA-N 1 3 225.336 0.620 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000911628958 639690186 /nfs/dbraw/zinc/69/01/86/639690186.db2.gz QVTPMWWTHXYRLY-LLVKDONJSA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911673599 639735054 /nfs/dbraw/zinc/73/50/54/639735054.db2.gz MTLCTIBZOPAINF-GHMZBOCLSA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708067 639760008 /nfs/dbraw/zinc/76/00/08/639760008.db2.gz TZYGKYHJUCOISO-NEPJUHHUSA-N 1 3 239.363 0.867 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NCC[NH2+]CC ZINC000911750977 639778069 /nfs/dbraw/zinc/77/80/69/639778069.db2.gz RNASZJVNXWMICP-JTQLQIEISA-N 1 3 213.325 0.396 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911787735 639806232 /nfs/dbraw/zinc/80/62/32/639806232.db2.gz LHXZMQFJFUKQLA-GHMZBOCLSA-N 1 3 225.336 0.490 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911827136 639838851 /nfs/dbraw/zinc/83/88/51/639838851.db2.gz SQTVIMSSSDVVBE-WDEREUQCSA-N 1 3 227.352 0.770 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911817663 639850487 /nfs/dbraw/zinc/85/04/87/639850487.db2.gz IWTVMWWIJKWXOH-SRVKXCTJSA-N 1 3 239.363 0.866 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000911869329 639853191 /nfs/dbraw/zinc/85/31/91/639853191.db2.gz UZOAZEJTIZSTHN-NWDGAFQWSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001019033316 643019925 /nfs/dbraw/zinc/01/99/25/643019925.db2.gz IULYDHJTUSVZME-NWDGAFQWSA-N 1 3 239.363 0.703 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001019397133 643030216 /nfs/dbraw/zinc/03/02/16/643030216.db2.gz KLBARDGRUSLNQU-RYUDHWBXSA-N 1 3 237.347 0.150 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001019383081 643030261 /nfs/dbraw/zinc/03/02/61/643030261.db2.gz VLQAHVLQZPJDFY-STQMWFEESA-N 1 3 249.358 0.152 20 30 BCEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC001019397099 643031287 /nfs/dbraw/zinc/03/12/87/643031287.db2.gz IULYDHJTUSVZME-RYUDHWBXSA-N 1 3 239.363 0.703 20 30 BCEDHO C#CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997056851 643576631 /nfs/dbraw/zinc/57/66/31/643576631.db2.gz YWAVOSWVKGOVNL-UHFFFAOYSA-N 1 3 246.314 0.166 20 30 BCEDHO C=CCC[C@H](O)CN1CC[C@H](C[NH2+]C)C1 ZINC000923286005 644320582 /nfs/dbraw/zinc/32/05/82/644320582.db2.gz KXMYHMPSHICNBP-NEPJUHHUSA-N 1 3 212.337 0.855 20 30 BCEDHO C=CCN1CC[C@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518256 644483293 /nfs/dbraw/zinc/48/32/93/644483293.db2.gz BWCZXLLBFHOFAJ-XQQFMLRXSA-N 1 3 249.358 0.315 20 30 BCEDHO C#C[C@@H](C)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000248532987 644686431 /nfs/dbraw/zinc/68/64/31/644686431.db2.gz IDZXVIBLFATDAW-GHMZBOCLSA-N 1 3 222.336 0.397 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000876795370 712629730 /nfs/dbraw/zinc/62/97/30/712629730.db2.gz OCFGHZGDJVTQHB-QMMMGPOBSA-N 1 3 231.727 0.454 20 30 BCEDHO C#CC[C@H](CO)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000717795728 712678052 /nfs/dbraw/zinc/67/80/52/712678052.db2.gz UUALOVDAGIRADL-SDDRHHMPSA-N 1 3 210.321 0.443 20 30 BCEDHO C#CC[C@H](CO)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000717795728 712678054 /nfs/dbraw/zinc/67/80/54/712678054.db2.gz UUALOVDAGIRADL-SDDRHHMPSA-N 1 3 210.321 0.443 20 30 BCEDHO CC(C#N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062079196 136272017 /nfs/dbraw/zinc/27/20/17/136272017.db2.gz HBVKDQNCWBWFAO-WDEREUQCSA-N 1 3 223.320 0.994 20 30 BCEDHO C=CCNC(=[NH2+])NCC(C)(C)CN(C)C ZINC000066244955 343857764 /nfs/dbraw/zinc/85/77/64/343857764.db2.gz BTMRYMPXCSEMLA-UHFFFAOYSA-N 1 3 212.341 0.665 20 30 BCEDHO C=CCSCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000381285027 345240747 /nfs/dbraw/zinc/24/07/47/345240747.db2.gz ZGKAODAUSMVEIO-GFCCVEGCSA-N 1 3 244.404 0.950 20 30 BCEDHO C=CCSCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000381285027 345240750 /nfs/dbraw/zinc/24/07/50/345240750.db2.gz ZGKAODAUSMVEIO-GFCCVEGCSA-N 1 3 244.404 0.950 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000594427977 348044626 /nfs/dbraw/zinc/04/46/26/348044626.db2.gz YQRJCQBYFXFLJY-MNOVXSKESA-N 1 3 238.335 0.266 20 30 BCEDHO C[C@H](C[NH3+])N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594424299 348051138 /nfs/dbraw/zinc/05/11/38/348051138.db2.gz AFKQHPIEWFESCQ-ZJUUUORDSA-N 1 3 226.324 0.203 20 30 BCEDHO CN(C(=O)[C@H](N)CCCCC#N)[C@H]1CC[NH2+]C1 ZINC000594425624 348051866 /nfs/dbraw/zinc/05/18/66/348051866.db2.gz LPFVYJVULBIMNH-WDEREUQCSA-N 1 3 238.335 0.218 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000594426367 348051916 /nfs/dbraw/zinc/05/19/16/348051916.db2.gz OPMMXQXXYXDNBC-NSHDSACASA-N 1 3 238.335 0.266 20 30 BCEDHO CC[NH2+]CCNC(=O)[C@@H](N)CCCCC#N ZINC000594425682 348052340 /nfs/dbraw/zinc/05/23/40/348052340.db2.gz LXOBMNNUISJFQR-JTQLQIEISA-N 1 3 226.324 0.123 20 30 BCEDHO C[NH2+]CCCN(C)C(=O)[C@@H](N)CCCCC#N ZINC000594449965 348057559 /nfs/dbraw/zinc/05/75/59/348057559.db2.gz QAPLOCCGVQEPRU-NSHDSACASA-N 1 3 240.351 0.466 20 30 BCEDHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C)C#N ZINC000336687524 350960299 /nfs/dbraw/zinc/96/02/99/350960299.db2.gz LJGCYTKSZZOMLN-ZJUUUORDSA-N 1 3 211.309 0.991 20 30 BCEDHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C)C#N ZINC000336687524 350960302 /nfs/dbraw/zinc/96/03/02/350960302.db2.gz LJGCYTKSZZOMLN-ZJUUUORDSA-N 1 3 211.309 0.991 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000192111189 353542708 /nfs/dbraw/zinc/54/27/08/353542708.db2.gz DYGFJEVTXSWUFO-GHMZBOCLSA-N 1 3 239.363 0.736 20 30 BCEDHO C=CCNC(=O)[C@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000104140788 166387257 /nfs/dbraw/zinc/38/72/57/166387257.db2.gz MHAXIDACOYIMPB-QWRGUYRKSA-N 1 3 239.363 0.736 20 30 BCEDHO CCN(CCC[NH+](C)C)C(=O)C(C)C#N ZINC000230420699 363311497 /nfs/dbraw/zinc/31/14/97/363311497.db2.gz CWJUKJZEXPKUTR-SNVBAGLBSA-N 1 3 211.309 0.946 20 30 BCEDHO CC(C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384904293 356795349 /nfs/dbraw/zinc/79/53/49/356795349.db2.gz NWAFTVPEEWPWFX-IMSYWVGJSA-N 1 3 207.277 0.164 20 30 BCEDHO CC(C#N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000044826240 358556526 /nfs/dbraw/zinc/55/65/26/358556526.db2.gz UHWHWZJHOHHBHD-SNVBAGLBSA-N 1 3 223.320 0.946 20 30 BCEDHO C=CCC[C@H](O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000308942840 491140860 /nfs/dbraw/zinc/14/08/60/491140860.db2.gz QYWYOSKQPSBOHG-SRVKXCTJSA-N 1 3 210.321 0.465 20 30 BCEDHO C=CCC[C@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308942841 491140840 /nfs/dbraw/zinc/14/08/40/491140840.db2.gz QYWYOSKQPSBOHG-TUAOUCFPSA-N 1 3 210.321 0.465 20 30 BCEDHO C=CC[C@@H]1CC[N@H+](CCN2CCNCC2)C1 ZINC000629547804 361431685 /nfs/dbraw/zinc/43/16/85/361431685.db2.gz GAIHYFRGYDTSHR-CYBMUJFWSA-N 1 3 223.364 0.790 20 30 BCEDHO C=CC[C@@H]1CC[N@@H+](CCN2CCNCC2)C1 ZINC000629547804 361431688 /nfs/dbraw/zinc/43/16/88/361431688.db2.gz GAIHYFRGYDTSHR-CYBMUJFWSA-N 1 3 223.364 0.790 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000390804270 371235968 /nfs/dbraw/zinc/23/59/68/371235968.db2.gz WLZMJCCDRLIATE-BBBLOLIVSA-N 1 3 209.293 0.697 20 30 BCEDHO C=CCC[C@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000320613228 385408484 /nfs/dbraw/zinc/40/84/84/385408484.db2.gz HAYYIQFLONCWEG-CHWSQXEVSA-N 1 3 242.363 0.360 20 30 BCEDHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594449415 385601406 /nfs/dbraw/zinc/60/14/06/385601406.db2.gz IWRZHLUBOBNIHO-AXFHLTTASA-N 1 3 240.351 0.640 20 30 BCEDHO C#CCNC(=[NH+]C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262440380 533141718 /nfs/dbraw/zinc/14/17/18/533141718.db2.gz HKEXFTPSTZYAFL-CYBMUJFWSA-N 1 3 248.374 0.755 20 30 BCEDHO CCCC[N@H+](C)CCNC(=O)C(C)C#N ZINC000347119135 386234278 /nfs/dbraw/zinc/23/42/78/386234278.db2.gz WHXROFOLKTWSNS-JTQLQIEISA-N 1 3 211.309 0.994 20 30 BCEDHO CCCC[N@@H+](C)CCNC(=O)C(C)C#N ZINC000347119135 386234279 /nfs/dbraw/zinc/23/42/79/386234279.db2.gz WHXROFOLKTWSNS-JTQLQIEISA-N 1 3 211.309 0.994 20 30 BCEDHO CC(C#N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000347099596 386249241 /nfs/dbraw/zinc/24/92/41/386249241.db2.gz DVLGDJCEQYPAEC-SNVBAGLBSA-N 1 3 239.319 0.373 20 30 BCEDHO CN(CC(C)(C)C[NH3+])C(=O)[C@@H](N)CCCC#N ZINC000424080919 387483223 /nfs/dbraw/zinc/48/32/23/387483223.db2.gz UIPGDXGPFXWEPI-JTQLQIEISA-N 1 3 240.351 0.451 20 30 BCEDHO C=CCNC(=O)CN1CCC2(CC[NH2+]C2)CC1 ZINC000431016248 387669691 /nfs/dbraw/zinc/66/96/91/387669691.db2.gz ZFWXTOXQIWABRC-UHFFFAOYSA-N 1 3 237.347 0.364 20 30 BCEDHO CC(C)[N@H+](C)CCNC(=O)[C@H](N)CCCC#N ZINC000424154085 387811041 /nfs/dbraw/zinc/81/10/41/387811041.db2.gz LBBHLBVSKVFFAS-LLVKDONJSA-N 1 3 240.351 0.464 20 30 BCEDHO CC(C)[N@@H+](C)CCNC(=O)[C@H](N)CCCC#N ZINC000424154085 387811045 /nfs/dbraw/zinc/81/10/45/387811045.db2.gz LBBHLBVSKVFFAS-LLVKDONJSA-N 1 3 240.351 0.464 20 30 BCEDHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424154237 387815278 /nfs/dbraw/zinc/81/52/78/387815278.db2.gz JHILJWKEXQULAP-VWYCJHECSA-N 1 3 238.335 0.122 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044828086 387944742 /nfs/dbraw/zinc/94/47/42/387944742.db2.gz IXBPGSINFCQQKJ-VHSXEESVSA-N 1 3 209.293 0.604 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044828086 387944745 /nfs/dbraw/zinc/94/47/45/387944745.db2.gz IXBPGSINFCQQKJ-VHSXEESVSA-N 1 3 209.293 0.604 20 30 BCEDHO C=CCN1CCC(NC(=O)C(C)(C)C[NH3+])CC1 ZINC000236602221 388380488 /nfs/dbraw/zinc/38/04/88/388380488.db2.gz VXYNIHSQKHVDRD-UHFFFAOYSA-N 1 3 239.363 0.738 20 30 BCEDHO N#CCCNCCCC[N@H+]1CCC[C@H]1CO ZINC000516771069 388517447 /nfs/dbraw/zinc/51/74/47/388517447.db2.gz YGQHSYQZXFQDMC-LBPRGKRZSA-N 1 3 225.336 0.727 20 30 BCEDHO N#CCCNCCCC[N@@H+]1CCC[C@H]1CO ZINC000516771069 388517449 /nfs/dbraw/zinc/51/74/49/388517449.db2.gz YGQHSYQZXFQDMC-LBPRGKRZSA-N 1 3 225.336 0.727 20 30 BCEDHO C#CCN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000126491992 388696047 /nfs/dbraw/zinc/69/60/47/388696047.db2.gz HOMHBUXVXPPFLG-UHFFFAOYSA-N 1 3 223.364 0.577 20 30 BCEDHO C#C[C@@H](CC)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000262546617 533236441 /nfs/dbraw/zinc/23/64/41/533236441.db2.gz STOTUXZIRRWNMM-RYUDHWBXSA-N 1 3 236.363 0.787 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368917794 134220594 /nfs/dbraw/zinc/22/05/94/134220594.db2.gz SJDWFSHZOIVOBE-WDEREUQCSA-N 1 3 238.335 0.150 20 30 BCEDHO CC(C#N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336000688 135044731 /nfs/dbraw/zinc/04/47/31/135044731.db2.gz KLYVNKUNGHIBIG-WDEREUQCSA-N 1 3 223.320 0.946 20 30 BCEDHO CC(C#N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336000688 135044733 /nfs/dbraw/zinc/04/47/33/135044733.db2.gz KLYVNKUNGHIBIG-WDEREUQCSA-N 1 3 223.320 0.946 20 30 BCEDHO CN(C(=[NH2+])NCC1=CCN(C)CC1)C1CC1 ZINC000262269499 135117015 /nfs/dbraw/zinc/11/70/15/135117015.db2.gz STIIFZQKWNCZJK-UHFFFAOYSA-N 1 3 222.336 0.657 20 30 BCEDHO CC(C)N(CCNC1=[NH+]CCN1C)C(C)C ZINC000261573101 135215269 /nfs/dbraw/zinc/21/52/69/135215269.db2.gz INPAUFZRKGMRPO-UHFFFAOYSA-N 1 3 226.368 0.996 20 30 BCEDHO CCCN1CCC[C@H]1CNC1=[NH+]CCN1C ZINC000262640576 135310065 /nfs/dbraw/zinc/31/00/65/135310065.db2.gz HRBGZFCJSIUQPC-NSHDSACASA-N 1 3 224.352 0.752 20 30 BCEDHO CN1CC[NH+]=C1NCC1=CCN(C)CC1 ZINC000262687388 135313590 /nfs/dbraw/zinc/31/35/90/135313590.db2.gz YXEMMEWEXRDVBQ-UHFFFAOYSA-N 1 3 208.309 0.139 20 30 BCEDHO CN1CC=C(CNC(=[NH2+])NC2CC2)CC1 ZINC000263155561 135336629 /nfs/dbraw/zinc/33/66/29/135336629.db2.gz MZDRRBZWYCQVJJ-UHFFFAOYSA-N 1 3 208.309 0.315 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H](CC)[NH2+]C)CC1 ZINC000662449361 412179398 /nfs/dbraw/zinc/17/93/98/412179398.db2.gz ZIYFYFWYYASPAS-GFCCVEGCSA-N 1 3 239.363 0.751 20 30 BCEDHO C=CC[C@@]1(C(=O)NC[C@H](C)N(C)C)CCC[NH2+]1 ZINC000662693694 412273520 /nfs/dbraw/zinc/27/35/20/412273520.db2.gz LLGLPYWYTAJIGZ-AAEUAGOBSA-N 1 3 239.363 0.751 20 30 BCEDHO C[C@@H](C[NH+]=C(N(C)C)N(C)C)CN(C)C ZINC000849030677 588442790 /nfs/dbraw/zinc/44/27/90/588442790.db2.gz RVVCLQFPQFLWRQ-JTQLQIEISA-N 1 3 214.357 0.663 20 30 BCEDHO CC[NH+](CC)CCOCCNC(=O)C(C)C#N ZINC000544587035 325150726 /nfs/dbraw/zinc/15/07/26/325150726.db2.gz XPRRCOPNIIHFQR-LLVKDONJSA-N 1 3 241.335 0.621 20 30 BCEDHO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@H]1C ZINC000133644554 325306233 /nfs/dbraw/zinc/30/62/33/325306233.db2.gz DQSFSSMYKKWQIA-GRYCIOLGSA-N 1 3 239.363 0.607 20 30 BCEDHO C=C(CN(C)C)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854655207 588799504 /nfs/dbraw/zinc/79/95/04/588799504.db2.gz OTRMZXPAGNKKCV-VXGBXAGGSA-N 1 3 239.363 0.655 20 30 BCEDHO C=C(C[NH+](C)C)C(=O)N1CCN[C@H](C(C)C)C1 ZINC000856489350 588874074 /nfs/dbraw/zinc/87/40/74/588874074.db2.gz MNSQQTHULNFWNE-LBPRGKRZSA-N 1 3 239.363 0.561 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)N(C)C ZINC000900163463 584281422 /nfs/dbraw/zinc/28/14/22/584281422.db2.gz QLHRWXKYUBGMRZ-LLVKDONJSA-N 1 3 227.352 0.561 20 30 BCEDHO C=CCN1CC[C@@H](N(C)C[C@H]2C[C@@H]([NH3+])C2)C1=O ZINC000904342716 584867141 /nfs/dbraw/zinc/86/71/41/584867141.db2.gz OGEFCZJSBHWDFH-GRYCIOLGSA-N 1 3 237.347 0.442 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000753029350 585252443 /nfs/dbraw/zinc/25/24/43/585252443.db2.gz NAFAWIXKFFGAEE-LBPRGKRZSA-N 1 3 241.379 0.949 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000753029350 585252444 /nfs/dbraw/zinc/25/24/44/585252444.db2.gz NAFAWIXKFFGAEE-LBPRGKRZSA-N 1 3 241.379 0.949 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000816832006 586767096 /nfs/dbraw/zinc/76/70/96/586767096.db2.gz MPVSDEYVCLLRCP-JTQLQIEISA-N 1 3 227.352 0.418 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C#N ZINC000849003859 588431842 /nfs/dbraw/zinc/43/18/42/588431842.db2.gz KHROODVZFNARNW-MNOVXSKESA-N 1 3 237.351 0.744 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1(C#N)CC1 ZINC000849026098 588440789 /nfs/dbraw/zinc/44/07/89/588440789.db2.gz VHMMMPIBWJGPHZ-LLVKDONJSA-N 1 3 249.362 0.888 20 30 BCEDHO C[NH+]=C(NC[C@@H](C)CN(C)C)NC1CC1 ZINC000849030281 588442209 /nfs/dbraw/zinc/44/22/09/588442209.db2.gz IEQLWGCDKLALBA-SECBINFHSA-N 1 3 212.341 0.512 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000876502724 590201409 /nfs/dbraw/zinc/20/14/09/590201409.db2.gz LLUOQQKSYIMCAD-VIFPVBQESA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508097 590204999 /nfs/dbraw/zinc/20/49/99/590204999.db2.gz IIWCSRALKPQOML-IUCAKERBSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000876515816 590206402 /nfs/dbraw/zinc/20/64/02/590206402.db2.gz XZGIMEHQPJGCRH-UWVGGRQHSA-N 1 3 245.754 0.796 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([NH3+])C1 ZINC000876516535 590206506 /nfs/dbraw/zinc/20/65/06/590206506.db2.gz BMPSTSQQTYVENG-JGVFFNPUSA-N 1 3 217.700 0.016 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000876525661 590208623 /nfs/dbraw/zinc/20/86/23/590208623.db2.gz MSGFNULSZXRXBH-ZJUUUORDSA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000876534095 590210836 /nfs/dbraw/zinc/21/08/36/590210836.db2.gz OEXBRLHHUPIMIL-DTWKUNHWSA-N 1 3 233.743 0.556 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000876538304 590211918 /nfs/dbraw/zinc/21/19/18/590211918.db2.gz GSPXQZREUPSHJI-SSDOTTSWSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH+](C)C ZINC000876707634 590232976 /nfs/dbraw/zinc/23/29/76/590232976.db2.gz MECSRNFLFOJQQA-VIFPVBQESA-N 1 3 233.743 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000876735133 590233999 /nfs/dbraw/zinc/23/39/99/590233999.db2.gz LBDSZBALJFMBMI-IUCAKERBSA-N 1 3 233.743 0.523 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000876738531 590235189 /nfs/dbraw/zinc/23/51/89/590235189.db2.gz GFCZOEXBMDGNSR-VHSXEESVSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000876788241 590239150 /nfs/dbraw/zinc/23/91/50/590239150.db2.gz YCBXQQPEEQIMGX-XPUUQOCRSA-N 1 3 219.716 0.167 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000876794914 590239737 /nfs/dbraw/zinc/23/97/37/590239737.db2.gz BVQBSFSDFDZRRX-GUBZILKMSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)C[NH3+] ZINC000876788239 590241102 /nfs/dbraw/zinc/24/11/02/590241102.db2.gz YCBXQQPEEQIMGX-POYBYMJQSA-N 1 3 219.716 0.167 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876792256 590242114 /nfs/dbraw/zinc/24/21/14/590242114.db2.gz VAHVVYCWPMLJEL-IUCAKERBSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000876829016 590246689 /nfs/dbraw/zinc/24/66/89/590246689.db2.gz NKXHPBVJLFCKHN-GUBZILKMSA-N 1 3 245.754 0.842 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000876830915 590247276 /nfs/dbraw/zinc/24/72/76/590247276.db2.gz ALRCSZZWEIYLDK-GUBZILKMSA-N 1 3 245.754 0.665 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000876835523 590247857 /nfs/dbraw/zinc/24/78/57/590247857.db2.gz XJTVHLSAOIVEOJ-BBBLOLIVSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876836860 590248202 /nfs/dbraw/zinc/24/82/02/590248202.db2.gz CADDROACZHEISX-AEJSXWLSSA-N 1 3 243.738 0.134 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876836862 590248520 /nfs/dbraw/zinc/24/85/20/590248520.db2.gz CADDROACZHEISX-KXUCPTDWSA-N 1 3 243.738 0.134 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000876852713 590249336 /nfs/dbraw/zinc/24/93/36/590249336.db2.gz WMLAJGROXOWNQB-CIUDSAMLSA-N 1 3 231.727 0.404 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000876914507 590256323 /nfs/dbraw/zinc/25/63/23/590256323.db2.gz DZDDSWAPFQCRLG-BWVDBABLSA-N 1 3 231.727 0.262 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000876933801 590258801 /nfs/dbraw/zinc/25/88/01/590258801.db2.gz ZPEXBVNKRBXJQG-OPRDCNLKSA-N 1 3 245.754 0.842 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000876949174 590260081 /nfs/dbraw/zinc/26/00/81/590260081.db2.gz ZUMRURHAQXPXMV-VIFPVBQESA-N 1 3 245.754 0.702 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000876957771 590260877 /nfs/dbraw/zinc/26/08/77/590260877.db2.gz GJOQSCULAPBQFQ-QMMMGPOBSA-N 1 3 233.743 0.652 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000876960844 590261276 /nfs/dbraw/zinc/26/12/76/590261276.db2.gz ODCNAGGJLJVCOF-ZJUUUORDSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(CC)CC[NH3+] ZINC000877006340 590268310 /nfs/dbraw/zinc/26/83/10/590268310.db2.gz SJFGCNVJCXMATO-MRVPVSSYSA-N 1 3 219.716 0.264 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877167988 590295454 /nfs/dbraw/zinc/29/54/54/590295454.db2.gz CBMVWTGUACGQJV-XHNCKOQMSA-N 1 3 229.711 0.029 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877293347 590307848 /nfs/dbraw/zinc/30/78/48/590307848.db2.gz MIKPKFCZNOHYTP-OPRDCNLKSA-N 1 3 245.754 0.842 20 30 BCEDHO C#CC[C@@H](CO)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883125603 591544445 /nfs/dbraw/zinc/54/44/45/591544445.db2.gz OEXMUTZKTQEFEV-RYUDHWBXSA-N 1 3 224.348 0.833 20 30 BCEDHO C#CC[C@@H](CO)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883125603 591544447 /nfs/dbraw/zinc/54/44/47/591544447.db2.gz OEXMUTZKTQEFEV-RYUDHWBXSA-N 1 3 224.348 0.833 20 30 BCEDHO C#CC[C@@H](CO)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883125601 591545061 /nfs/dbraw/zinc/54/50/61/591545061.db2.gz OEXMUTZKTQEFEV-NEPJUHHUSA-N 1 3 224.348 0.833 20 30 BCEDHO C#CC[C@@H](CO)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883125601 591545064 /nfs/dbraw/zinc/54/50/64/591545064.db2.gz OEXMUTZKTQEFEV-NEPJUHHUSA-N 1 3 224.348 0.833 20 30 BCEDHO CN(C)CC(C)(C)CNC(=[NH2+])N1CCOCC1 ZINC000104153644 592602016 /nfs/dbraw/zinc/60/20/16/592602016.db2.gz DSSRKWSSFDOMSL-UHFFFAOYSA-N 1 3 242.367 0.221 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001022710933 631804586 /nfs/dbraw/zinc/80/45/86/631804586.db2.gz PQBJXZFCUSSRID-UPJWGTAASA-N 1 3 249.358 0.341 20 30 BCEDHO CC(C)N(CCNC(=[NH2+])N(C)C)C(C)C ZINC000170905682 633177124 /nfs/dbraw/zinc/17/71/24/633177124.db2.gz PNNAEOTVGITURW-UHFFFAOYSA-N 1 3 214.357 0.982 20 30 BCEDHO CCCN1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000262163501 636107990 /nfs/dbraw/zinc/10/79/90/636107990.db2.gz TYIRAULDEXFKAF-NSHDSACASA-N 1 3 224.352 0.928 20 30 BCEDHO C[C@@H]1[NH2+]CCC[C@H]1NC1CCN(CC#N)CC1 ZINC000925609213 634147308 /nfs/dbraw/zinc/14/73/08/634147308.db2.gz QOPPBABYQGMADF-WCQYABFASA-N 1 3 236.363 0.704 20 30 BCEDHO C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987069305 636622393 /nfs/dbraw/zinc/62/23/93/636622393.db2.gz PLYQIIPSSHUSCD-PWSUYJOCSA-N 1 3 248.330 0.717 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000911620765 639683806 /nfs/dbraw/zinc/68/38/06/639683806.db2.gz TXPRKRGYZNLMJY-LLVKDONJSA-N 1 3 225.336 0.620 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911656439 639713248 /nfs/dbraw/zinc/71/32/48/639713248.db2.gz NKICNIIQLBIMMJ-WDEREUQCSA-N 1 3 225.336 0.490 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713969 639739484 /nfs/dbraw/zinc/73/94/84/639739484.db2.gz NBVCXZXSSLONHK-NWDGAFQWSA-N 1 3 239.363 0.928 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911827133 639839886 /nfs/dbraw/zinc/83/98/86/639839886.db2.gz SQTVIMSSSDVVBE-GHMZBOCLSA-N 1 3 227.352 0.770 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911834825 639845970 /nfs/dbraw/zinc/84/59/70/639845970.db2.gz RXIQTOKYXUFYIJ-GHMZBOCLSA-N 1 3 225.336 0.524 20 30 BCEDHO C=CCCC[C@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000911846486 639856527 /nfs/dbraw/zinc/85/65/27/639856527.db2.gz HGPQKCGQVUTGAF-NSHDSACASA-N 1 3 239.363 0.880 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001019383080 643031491 /nfs/dbraw/zinc/03/14/91/643031491.db2.gz VLQAHVLQZPJDFY-OLZOCXBDSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CCCN1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186769 643281409 /nfs/dbraw/zinc/28/14/09/643281409.db2.gz WHGMBMHPLKDNCC-ZDUSSCGKSA-N 1 3 249.358 0.009 20 30 BCEDHO C#CCCN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186769 643281414 /nfs/dbraw/zinc/28/14/14/643281414.db2.gz WHGMBMHPLKDNCC-ZDUSSCGKSA-N 1 3 249.358 0.009 20 30 BCEDHO C#CC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306329 643607009 /nfs/dbraw/zinc/60/70/09/643607009.db2.gz DIOYUOPLMFJRRD-UHFFFAOYSA-N 1 3 249.358 0.296 20 30 BCEDHO C=CC[NH2+][C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000317084 643776083 /nfs/dbraw/zinc/77/60/83/643776083.db2.gz IIGKJDJYBJBIKH-NSHDSACASA-N 1 3 248.330 0.719 20 30 BCEDHO C=CCC[C@@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923280004 644312412 /nfs/dbraw/zinc/31/24/12/644312412.db2.gz WCVQTTBMJXNANU-GFCCVEGCSA-N 1 3 212.337 0.997 20 30 BCEDHO C=CCC[C@@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923280004 644312415 /nfs/dbraw/zinc/31/24/15/644312415.db2.gz WCVQTTBMJXNANU-GFCCVEGCSA-N 1 3 212.337 0.997 20 30 BCEDHO C=CCC[C@@H](O)C[N@H+](C)C1CCNCC1 ZINC000923280004 644312421 /nfs/dbraw/zinc/31/24/21/644312421.db2.gz WCVQTTBMJXNANU-GFCCVEGCSA-N 1 3 212.337 0.997 20 30 BCEDHO C=CCC[C@H](O)CN1CC[C@@H](C[NH2+]C)C1 ZINC000923286007 644320103 /nfs/dbraw/zinc/32/01/03/644320103.db2.gz KXMYHMPSHICNBP-RYUDHWBXSA-N 1 3 212.337 0.855 20 30 BCEDHO Cc1ccc(CNC(CN)C[NH3+])cc1C#N ZINC000923358757 644367193 /nfs/dbraw/zinc/36/71/93/644367193.db2.gz HKGGBIWAMSECQC-UHFFFAOYSA-N 1 3 218.304 0.242 20 30 BCEDHO C=CCC[C@@H](O)CN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000923388521 644402173 /nfs/dbraw/zinc/40/21/73/644402173.db2.gz RLLIOSYTIPUVRY-JHJVBQTASA-N 1 3 242.363 0.609 20 30 BCEDHO C[C@H](CNC(=[NH2+])N(C)C)N1CCC[C@H](C)C1 ZINC000245924034 644554898 /nfs/dbraw/zinc/55/48/98/644554898.db2.gz VOOLKOGVMWIIME-WDEREUQCSA-N 1 3 226.368 0.983 20 30 BCEDHO COCCNC(=[NH2+])NCCN(C(C)C)C(C)C ZINC000303266342 644813106 /nfs/dbraw/zinc/81/31/06/644813106.db2.gz VVFOXZZWPLXAQX-UHFFFAOYSA-N 1 3 244.383 0.656 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303696813 644838590 /nfs/dbraw/zinc/83/85/90/644838590.db2.gz FHUHUKPALRQZFN-MNOVXSKESA-N 1 3 242.367 0.410 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1CC1 ZINC000303782185 644846119 /nfs/dbraw/zinc/84/61/19/644846119.db2.gz MUXZLSRKRJECBB-NSHDSACASA-N 1 3 224.352 0.785 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC1CC1 ZINC000303782184 644847019 /nfs/dbraw/zinc/84/70/19/644847019.db2.gz MUXZLSRKRJECBB-LLVKDONJSA-N 1 3 224.352 0.785 20 30 BCEDHO COCCN(C)CCC[NH+]=C(N(C)C)N(C)C ZINC000303879487 644852980 /nfs/dbraw/zinc/85/29/80/644852980.db2.gz GONADJIASUITRH-UHFFFAOYSA-N 1 3 244.383 0.434 20 30 BCEDHO C=CC[C@H](CO)CN[C@@H]1CCC[NH2+][C@H]1C ZINC000925629870 646374201 /nfs/dbraw/zinc/37/42/01/646374201.db2.gz MBVBQNQBYLUAHM-SDDRHHMPSA-N 1 3 212.337 0.901 20 30 BCEDHO C=CC[C@H](CO)CN[C@H]1CCC[NH2+][C@@H]1C ZINC000925629872 646374559 /nfs/dbraw/zinc/37/45/59/646374559.db2.gz MBVBQNQBYLUAHM-WOPDTQHZSA-N 1 3 212.337 0.901 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCF ZINC000305106017 711785931 /nfs/dbraw/zinc/78/59/31/711785931.db2.gz BKZBKQNGALVAFN-JTQLQIEISA-N 1 3 230.331 0.735 20 30 BCEDHO C=CC[C@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000714996641 712503366 /nfs/dbraw/zinc/50/33/66/712503366.db2.gz SKBGLRUBSFSQRK-STQMWFEESA-N 1 3 223.364 0.931 20 30 BCEDHO CCN(CC[NH3+])C(=O)[C@@H](N)CCCCC#N ZINC000602534761 349602262 /nfs/dbraw/zinc/60/22/62/349602262.db2.gz KBEXFORCSCFUDH-JTQLQIEISA-N 1 3 226.324 0.205 20 30 BCEDHO C[C@H](CNC1=[NH+]CCN1C)N1CCC[C@H](C)C1 ZINC000262669766 136374700 /nfs/dbraw/zinc/37/47/00/136374700.db2.gz QMOLGNMNJQKYHQ-NWDGAFQWSA-N 1 3 238.379 0.998 20 30 BCEDHO CC(C#N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000044809432 344549206 /nfs/dbraw/zinc/54/92/06/344549206.db2.gz VONPZCOPRYOEDS-VIFPVBQESA-N 1 3 211.309 0.850 20 30 BCEDHO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000044823691 344551130 /nfs/dbraw/zinc/55/11/30/344551130.db2.gz KSCJGMDDRFMTLA-UWVGGRQHSA-N 1 3 209.293 0.604 20 30 BCEDHO CC[N@H+]1CC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000044823691 344551132 /nfs/dbraw/zinc/55/11/32/344551132.db2.gz KSCJGMDDRFMTLA-UWVGGRQHSA-N 1 3 209.293 0.604 20 30 BCEDHO N#CCCC[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591677582 347685353 /nfs/dbraw/zinc/68/53/53/347685353.db2.gz NWSDGECRGAEONP-MNOVXSKESA-N 1 3 238.335 0.266 20 30 BCEDHO N#CCN1CCC([NH2+][C@H]2CCC[C@@H](N)C2)CC1 ZINC000594583073 348076759 /nfs/dbraw/zinc/07/67/59/348076759.db2.gz UZLWGAGPTONUDB-YPMHNXCESA-N 1 3 236.363 0.834 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000594427978 348044690 /nfs/dbraw/zinc/04/46/90/348044690.db2.gz YQRJCQBYFXFLJY-QWRGUYRKSA-N 1 3 238.335 0.266 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000594427979 348044804 /nfs/dbraw/zinc/04/48/04/348044804.db2.gz YQRJCQBYFXFLJY-WDEREUQCSA-N 1 3 238.335 0.266 20 30 BCEDHO C[C@@H](C[NH3+])N(C)C(=O)[C@H](N)CCCCC#N ZINC000594424298 348051239 /nfs/dbraw/zinc/05/12/39/348051239.db2.gz AFKQHPIEWFESCQ-VHSXEESVSA-N 1 3 226.324 0.203 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000594426127 348052012 /nfs/dbraw/zinc/05/20/12/348052012.db2.gz NMGBUTZJMAGFFD-MNOVXSKESA-N 1 3 238.335 0.347 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000594426649 348052750 /nfs/dbraw/zinc/05/27/50/348052750.db2.gz QMCXMFKZERSYEJ-GHMZBOCLSA-N 1 3 238.335 0.266 20 30 BCEDHO C[C@@H](C[NH3+])CNC(=O)[C@@H](N)CCCCC#N ZINC000594438224 348054286 /nfs/dbraw/zinc/05/42/86/348054286.db2.gz HWVKUVIAZXZURE-UWVGGRQHSA-N 1 3 226.324 0.109 20 30 BCEDHO C[C@@H](CCNC(=O)[C@@H](N)CCCC#N)[NH+](C)C ZINC000595936346 348409006 /nfs/dbraw/zinc/40/90/06/348409006.db2.gz BHCHNDYZIUUCEP-QWRGUYRKSA-N 1 3 240.351 0.464 20 30 BCEDHO N#CCCC[C@@H](N)C(=O)NCC1([NH3+])CCCC1 ZINC000595952540 348404181 /nfs/dbraw/zinc/40/41/81/348404181.db2.gz DVPWDIMWHBRTHJ-SNVBAGLBSA-N 1 3 238.335 0.395 20 30 BCEDHO CCN(CC)C(=[NH2+])NCC1=CCN(C)CC1 ZINC000271833821 351440186 /nfs/dbraw/zinc/44/01/86/351440186.db2.gz RIULBXMBPAZMMW-UHFFFAOYSA-N 1 3 224.352 0.905 20 30 BCEDHO C=CCNC(=O)[C@H](C)N1CCC(C[NH2+]C)CC1 ZINC000063166160 353580344 /nfs/dbraw/zinc/58/03/44/353580344.db2.gz ZOZNHIYOIMJVKI-NSHDSACASA-N 1 3 239.363 0.609 20 30 BCEDHO CC(C#N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000346416513 354951947 /nfs/dbraw/zinc/95/19/47/354951947.db2.gz SKTMDBNFMGOEKS-OUAUKWLOSA-N 1 3 223.320 0.945 20 30 BCEDHO CC(C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000346416513 354951950 /nfs/dbraw/zinc/95/19/50/354951950.db2.gz SKTMDBNFMGOEKS-OUAUKWLOSA-N 1 3 223.320 0.945 20 30 BCEDHO CC#CCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000389605137 357002021 /nfs/dbraw/zinc/00/20/21/357002021.db2.gz ARWIAVRBLLSTDS-GFCCVEGCSA-N 1 3 210.321 0.445 20 30 BCEDHO CC#CCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000389605137 357002023 /nfs/dbraw/zinc/00/20/23/357002023.db2.gz ARWIAVRBLLSTDS-GFCCVEGCSA-N 1 3 210.321 0.445 20 30 BCEDHO C=CCC[C@H](O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000308942842 491140864 /nfs/dbraw/zinc/14/08/64/491140864.db2.gz QYWYOSKQPSBOHG-UTUOFQBUSA-N 1 3 210.321 0.465 20 30 BCEDHO C#CCNC(N[C@@H]1CCN(C2CCCC2)C1)=[NH+]C ZINC000083512449 359796709 /nfs/dbraw/zinc/79/67/09/359796709.db2.gz FGBAXEKIWDWEBE-GFCCVEGCSA-N 1 3 248.374 0.802 20 30 BCEDHO N#Cc1ncn(CCN[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000573386239 364821068 /nfs/dbraw/zinc/82/10/68/364821068.db2.gz XBICZXMXXXCWTK-NXEZZACHSA-N 1 3 234.307 0.009 20 30 BCEDHO C#CCN(C)CCC[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000382830854 367561863 /nfs/dbraw/zinc/56/18/63/367561863.db2.gz IFWXYHDOXYHBTQ-UONOGXRCSA-N 1 3 237.391 0.871 20 30 BCEDHO CC(C#N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000078724254 384078133 /nfs/dbraw/zinc/07/81/33/384078133.db2.gz GLRKKLOZXBXAHE-UWVGGRQHSA-N 1 3 209.293 0.699 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236659814 384548439 /nfs/dbraw/zinc/54/84/39/384548439.db2.gz JONJOIWQQMXWLO-NSHDSACASA-N 1 3 237.347 0.363 20 30 BCEDHO C[C@H]1CCC[C@](CNC(N)=[NH2+])(N(C)C)C1 ZINC000203485004 384673188 /nfs/dbraw/zinc/67/31/88/384673188.db2.gz VUOLADOUNZMGAY-ONGXEEELSA-N 1 3 212.341 0.770 20 30 BCEDHO CN(C)CCOCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309835863 384866053 /nfs/dbraw/zinc/86/60/53/384866053.db2.gz BAHBQTHHGRYCII-NWDGAFQWSA-N 1 3 225.336 0.846 20 30 BCEDHO CN(C)CCOCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309835865 384866282 /nfs/dbraw/zinc/86/62/82/384866282.db2.gz BAHBQTHHGRYCII-RYUDHWBXSA-N 1 3 225.336 0.846 20 30 BCEDHO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C)C#N ZINC000516661567 385053635 /nfs/dbraw/zinc/05/36/35/385053635.db2.gz MHTXGUWUERBXOH-MNOVXSKESA-N 1 3 241.335 0.355 20 30 BCEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427800565 385174501 /nfs/dbraw/zinc/17/45/01/385174501.db2.gz SPLQUKQVCXUUBY-LPEHRKFASA-N 1 3 207.277 0.166 20 30 BCEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427800565 385174506 /nfs/dbraw/zinc/17/45/06/385174506.db2.gz SPLQUKQVCXUUBY-LPEHRKFASA-N 1 3 207.277 0.166 20 30 BCEDHO C=CCC[C@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000320613229 385408776 /nfs/dbraw/zinc/40/87/76/385408776.db2.gz HAYYIQFLONCWEG-OLZOCXBDSA-N 1 3 242.363 0.360 20 30 BCEDHO C[C@@H](CNC(=O)[C@@H](N)CCCCC#N)[NH+](C)C ZINC000594440472 385601685 /nfs/dbraw/zinc/60/16/85/385601685.db2.gz CWCKSYYDABMLDX-QWRGUYRKSA-N 1 3 240.351 0.464 20 30 BCEDHO C[C@H](CNC(=O)[C@H](N)CCCCC#N)[NH+](C)C ZINC000594440470 385602007 /nfs/dbraw/zinc/60/20/07/385602007.db2.gz CWCKSYYDABMLDX-GHMZBOCLSA-N 1 3 240.351 0.464 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000347076510 386218308 /nfs/dbraw/zinc/21/83/08/386218308.db2.gz SVNDKIQDAOWVHD-WPRPVWTQSA-N 1 3 209.293 0.602 20 30 BCEDHO CC[N@@H+]1CCC[C@H](CNC(=O)C(C)C#N)C1 ZINC000347031197 386223289 /nfs/dbraw/zinc/22/32/89/386223289.db2.gz DYDARVURFJWKGE-GHMZBOCLSA-N 1 3 223.320 0.994 20 30 BCEDHO CC[N@H+]1CCC[C@H](CNC(=O)C(C)C#N)C1 ZINC000347031197 386223292 /nfs/dbraw/zinc/22/32/92/386223292.db2.gz DYDARVURFJWKGE-GHMZBOCLSA-N 1 3 223.320 0.994 20 30 BCEDHO C=CCOCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000304250881 387029130 /nfs/dbraw/zinc/02/91/30/387029130.db2.gz QXJLEBFTDVOFNE-GFCCVEGCSA-N 1 3 228.336 0.235 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000424055793 387472846 /nfs/dbraw/zinc/47/28/46/387472846.db2.gz FLQQPTOGMOQVLJ-QWRGUYRKSA-N 1 3 238.335 0.347 20 30 BCEDHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@@H](C)N1 ZINC000424070360 387476624 /nfs/dbraw/zinc/47/66/24/387476624.db2.gz AJBYLANULJJYDZ-MXWKQRLJSA-N 1 3 238.335 0.216 20 30 BCEDHO CCC([NH3+])(CC)CNC(=O)[C@H](N)CCCC#N ZINC000424075997 387477513 /nfs/dbraw/zinc/47/75/13/387477513.db2.gz KTCKXGRSBXAADA-SNVBAGLBSA-N 1 3 240.351 0.641 20 30 BCEDHO CC[NH+](CC)CCNC(=O)[C@@H](N)CCCC#N ZINC000424141570 387712271 /nfs/dbraw/zinc/71/22/71/387712271.db2.gz UIBKACAUTXJQRS-NSHDSACASA-N 1 3 240.351 0.466 20 30 BCEDHO C[C@H](CC[NH+](C)C)NC(=O)[C@H](N)CCCC#N ZINC000424152139 387799614 /nfs/dbraw/zinc/79/96/14/387799614.db2.gz INKWNXIAJGKYOV-GHMZBOCLSA-N 1 3 240.351 0.464 20 30 BCEDHO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000442763619 387833931 /nfs/dbraw/zinc/83/39/31/387833931.db2.gz BCMAPVSPUMNYHB-FRRDWIJNSA-N 1 3 237.347 0.725 20 30 BCEDHO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424173612 387873467 /nfs/dbraw/zinc/87/34/67/387873467.db2.gz FGVOWDQNKMRRSU-UWVGGRQHSA-N 1 3 238.335 0.264 20 30 BCEDHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424164603 387847529 /nfs/dbraw/zinc/84/75/29/387847529.db2.gz XFBMCKSYJXTPLK-GARJFASQSA-N 1 3 238.335 0.264 20 30 BCEDHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)CCCC#N ZINC000424164718 387848894 /nfs/dbraw/zinc/84/88/94/387848894.db2.gz XLBUTRKLCZRHAC-NXEZZACHSA-N 1 3 226.324 0.122 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000424154666 387816345 /nfs/dbraw/zinc/81/63/45/387816345.db2.gz JZCHTRNBAQXGGD-DCAQKATOSA-N 1 3 238.335 0.394 20 30 BCEDHO C=CCN1CCC(NC(=O)C2([NH3+])CCC2)CC1 ZINC000517137177 388539142 /nfs/dbraw/zinc/53/91/42/388539142.db2.gz CHMYMUMGJRUTGY-UHFFFAOYSA-N 1 3 237.347 0.634 20 30 BCEDHO C=CCNC(NC[C@H]1CCN(C)C1)=[NH+]C ZINC000103902253 134159266 /nfs/dbraw/zinc/15/92/66/134159266.db2.gz MGMCLOPJCCZSBB-SNVBAGLBSA-N 1 3 210.325 0.289 20 30 BCEDHO CN(C)C(=[NH+]CCNc1ccncc1)N(C)C ZINC000262026105 135274009 /nfs/dbraw/zinc/27/40/09/135274009.db2.gz ZNMBNLZSVMQGRF-UHFFFAOYSA-N 1 3 235.335 0.973 20 30 BCEDHO CN/C(=[NH+]/C)N1CC[C@H](N2CCCCC2)C1 ZINC000262435530 135297232 /nfs/dbraw/zinc/29/72/32/135297232.db2.gz GFZKIBUFNXBLCI-NSHDSACASA-N 1 3 224.352 0.752 20 30 BCEDHO C[C@H]1C[NH+]=C(NCC2=CCN(C)CC2)N1 ZINC000262481069 135301863 /nfs/dbraw/zinc/30/18/63/135301863.db2.gz CYJYYEWCWDJHPJ-VIFPVBQESA-N 1 3 208.309 0.186 20 30 BCEDHO C=CCCC[N@@H+](C)C[C@@](C)(O)CNC ZINC000652338091 411203806 /nfs/dbraw/zinc/20/38/06/411203806.db2.gz AJONZYLQTHRFJC-NSHDSACASA-N 1 3 200.326 0.855 20 30 BCEDHO C=CCCC[N@H+](C)C[C@@](C)(O)CNC ZINC000652338091 411203810 /nfs/dbraw/zinc/20/38/10/411203810.db2.gz AJONZYLQTHRFJC-NSHDSACASA-N 1 3 200.326 0.855 20 30 BCEDHO C=CCCCN(C)C[C@@](C)(O)C[NH2+]C ZINC000652338091 411203815 /nfs/dbraw/zinc/20/38/15/411203815.db2.gz AJONZYLQTHRFJC-NSHDSACASA-N 1 3 200.326 0.855 20 30 BCEDHO C=CCN(CCN1CC[NH2+]CC1)[C@@H](C)COC ZINC000662299836 412087739 /nfs/dbraw/zinc/08/77/39/412087739.db2.gz YFGRQQSSUXNZQQ-ZDUSSCGKSA-N 1 3 241.379 0.415 20 30 BCEDHO C=CCOCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)N ZINC000665263384 412206295 /nfs/dbraw/zinc/20/62/95/412206295.db2.gz LNNCUTXUNDVYTC-JHJVBQTASA-N 1 3 242.363 0.921 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662721603 412283153 /nfs/dbraw/zinc/28/31/53/412283153.db2.gz RJHBHOBLNMIJNC-XYPYZODXSA-N 1 3 237.347 0.490 20 30 BCEDHO NC(=[NH2+])NCc1ccccc1CN1CC[C@H](O)C1 ZINC000272662976 487646687 /nfs/dbraw/zinc/64/66/87/487646687.db2.gz ABVGACXUJOSHHG-LBPRGKRZSA-N 1 3 248.330 0.027 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000567975356 323105922 /nfs/dbraw/zinc/10/59/22/323105922.db2.gz RJHBHOBLNMIJNC-PHIMTYICSA-N 1 3 237.347 0.490 20 30 BCEDHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)C#N ZINC000488163289 527715464 /nfs/dbraw/zinc/71/54/64/527715464.db2.gz FEEYMWRKVNQYLS-MNOVXSKESA-N 1 3 241.335 0.619 20 30 BCEDHO CC#CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855346588 588828566 /nfs/dbraw/zinc/82/85/66/588828566.db2.gz GBSKNJHIYYTETO-LBPRGKRZSA-N 1 3 239.363 0.398 20 30 BCEDHO CC#CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855346588 588828567 /nfs/dbraw/zinc/82/85/67/588828567.db2.gz GBSKNJHIYYTETO-LBPRGKRZSA-N 1 3 239.363 0.398 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000856073572 588859640 /nfs/dbraw/zinc/85/96/40/588859640.db2.gz SPQMCGSIPDDMAZ-GFCCVEGCSA-N 1 3 239.363 0.705 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@@H]1CC[N@H+](CCC)C1 ZINC000856073572 588859641 /nfs/dbraw/zinc/85/96/41/588859641.db2.gz SPQMCGSIPDDMAZ-GFCCVEGCSA-N 1 3 239.363 0.705 20 30 BCEDHO C#CC[N@H+](C)CCCNc1nc(C)cc(N)n1 ZINC000893988405 583270345 /nfs/dbraw/zinc/27/03/45/583270345.db2.gz BFEULNCGCDTGRU-UHFFFAOYSA-N 1 3 233.319 0.734 20 30 BCEDHO C#CC[N@@H+](C)CCCNc1nc(C)cc(N)n1 ZINC000893988405 583270348 /nfs/dbraw/zinc/27/03/48/583270348.db2.gz BFEULNCGCDTGRU-UHFFFAOYSA-N 1 3 233.319 0.734 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)N(C)C ZINC000900163464 584281430 /nfs/dbraw/zinc/28/14/30/584281430.db2.gz QLHRWXKYUBGMRZ-NSHDSACASA-N 1 3 227.352 0.561 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCN1C ZINC000900695951 584338925 /nfs/dbraw/zinc/33/89/25/584338925.db2.gz UYOFPRLGRWFFNE-GFCCVEGCSA-N 1 3 239.363 0.705 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCN1C ZINC000900695952 584338954 /nfs/dbraw/zinc/33/89/54/584338954.db2.gz UYOFPRLGRWFFNE-LBPRGKRZSA-N 1 3 239.363 0.705 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)N(C)CCN(C)C ZINC000900926608 584366451 /nfs/dbraw/zinc/36/64/51/584366451.db2.gz IBYQIKVGKKVTHT-UHFFFAOYSA-N 1 3 227.352 0.514 20 30 BCEDHO C=CCN(C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903747246 584794762 /nfs/dbraw/zinc/79/47/62/584794762.db2.gz QKZZBXTUHCQFDV-VXGBXAGGSA-N 1 3 210.321 0.873 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000826722806 587360009 /nfs/dbraw/zinc/36/00/09/587360009.db2.gz XHODPQFQWIJTPN-NSHDSACASA-N 1 3 239.363 0.562 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000826722806 587360010 /nfs/dbraw/zinc/36/00/10/587360010.db2.gz XHODPQFQWIJTPN-NSHDSACASA-N 1 3 239.363 0.562 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827318799 587376765 /nfs/dbraw/zinc/37/67/65/587376765.db2.gz JHPXGQOEAQVLRI-VWYCJHECSA-N 1 3 221.304 0.699 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827318799 587376766 /nfs/dbraw/zinc/37/67/66/587376766.db2.gz JHPXGQOEAQVLRI-VWYCJHECSA-N 1 3 221.304 0.699 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827318798 587376829 /nfs/dbraw/zinc/37/68/29/587376829.db2.gz JHPXGQOEAQVLRI-OUAUKWLOSA-N 1 3 221.304 0.699 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827318798 587376830 /nfs/dbraw/zinc/37/68/30/587376830.db2.gz JHPXGQOEAQVLRI-OUAUKWLOSA-N 1 3 221.304 0.699 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827318797 587376852 /nfs/dbraw/zinc/37/68/52/587376852.db2.gz JHPXGQOEAQVLRI-MXWKQRLJSA-N 1 3 221.304 0.699 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827318797 587376853 /nfs/dbraw/zinc/37/68/53/587376853.db2.gz JHPXGQOEAQVLRI-MXWKQRLJSA-N 1 3 221.304 0.699 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848296137 588371150 /nfs/dbraw/zinc/37/11/50/588371150.db2.gz YMDRKOJFVBFCMY-TXEJJXNPSA-N 1 3 239.363 0.561 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC1(C#N)CC1 ZINC000849026099 588440663 /nfs/dbraw/zinc/44/06/63/588440663.db2.gz VHMMMPIBWJGPHZ-NSHDSACASA-N 1 3 249.362 0.888 20 30 BCEDHO CNC(NCCN1CCCC1(C)C)=[NH+]C ZINC000849039424 588447136 /nfs/dbraw/zinc/44/71/36/588447136.db2.gz XTOQBLSUDJMWGF-UHFFFAOYSA-N 1 3 212.341 0.656 20 30 BCEDHO CCNC(NC[C@H]1CCCN(C)C1)=[NH+]CC ZINC000108638502 588479460 /nfs/dbraw/zinc/47/94/60/588479460.db2.gz GYUXDYHHSXJEKU-LLVKDONJSA-N 1 3 226.368 0.903 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH2+]CC ZINC000876509380 590204865 /nfs/dbraw/zinc/20/48/65/590204865.db2.gz KIKYOGLPXRBMBU-VIFPVBQESA-N 1 3 233.743 0.572 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000876508082 590205055 /nfs/dbraw/zinc/20/50/55/590205055.db2.gz IFKVDOWWFLHTOB-SNVBAGLBSA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000876513253 590206157 /nfs/dbraw/zinc/20/61/57/590206157.db2.gz JFLKXDMRSAJDMR-NXEZZACHSA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000876519072 590207012 /nfs/dbraw/zinc/20/70/12/590207012.db2.gz RGJUHBGRDWBMSL-YUMQZZPRSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000876529416 590209878 /nfs/dbraw/zinc/20/98/78/590209878.db2.gz COGNVHMTLYZJCB-BBBLOLIVSA-N 1 3 245.754 0.665 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000876541918 590212791 /nfs/dbraw/zinc/21/27/91/590212791.db2.gz MGBQTYJSIZVEPT-SECBINFHSA-N 1 3 247.770 0.900 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC1CC[NH+](C)CC1 ZINC000876711402 590232655 /nfs/dbraw/zinc/23/26/55/590232655.db2.gz YIGWDSPDFASZNH-JTQLQIEISA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000876735134 590234587 /nfs/dbraw/zinc/23/45/87/590234587.db2.gz LBDSZBALJFMBMI-RKDXNWHRSA-N 1 3 233.743 0.523 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000876735131 590234618 /nfs/dbraw/zinc/23/46/18/590234618.db2.gz LBDSZBALJFMBMI-BDAKNGLRSA-N 1 3 233.743 0.523 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000876738530 590235444 /nfs/dbraw/zinc/23/54/44/590235444.db2.gz GFCZOEXBMDGNSR-UWVGGRQHSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000876788634 590240937 /nfs/dbraw/zinc/24/09/37/590240937.db2.gz PVJMMZJRDUFFJB-UTLUCORTSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000876810624 590245320 /nfs/dbraw/zinc/24/53/20/590245320.db2.gz XDPJLRXGEGTBAJ-JTQLQIEISA-N 1 3 243.738 0.492 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000876813854 590245428 /nfs/dbraw/zinc/24/54/28/590245428.db2.gz XVKGFAIMJKMISF-FKTZTGRPSA-N 1 3 245.754 0.571 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000876813857 590245494 /nfs/dbraw/zinc/24/54/94/590245494.db2.gz XVKGFAIMJKMISF-JEZHCXPESA-N 1 3 245.754 0.571 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000876813856 590245498 /nfs/dbraw/zinc/24/54/98/590245498.db2.gz XVKGFAIMJKMISF-HGNGGELXSA-N 1 3 245.754 0.571 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000876826005 590246424 /nfs/dbraw/zinc/24/64/24/590246424.db2.gz AXFZYWYUJAWOBR-ZJUUUORDSA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000876831403 590247698 /nfs/dbraw/zinc/24/76/98/590247698.db2.gz ZJDKKUZQYJQXKL-UJNFCWOMSA-N 1 3 245.754 0.571 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC000876835136 590247907 /nfs/dbraw/zinc/24/79/07/590247907.db2.gz XWFZMHHKWQMEQJ-VIFPVBQESA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000876835522 590248006 /nfs/dbraw/zinc/24/80/06/590248006.db2.gz XJTVHLSAOIVEOJ-AEJSXWLSSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000876857315 590249876 /nfs/dbraw/zinc/24/98/76/590249876.db2.gz AYAWPXRAIQMQOX-IUCAKERBSA-N 1 3 233.743 0.700 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000876870985 590251765 /nfs/dbraw/zinc/25/17/65/590251765.db2.gz FRIQMRIZOMEILU-BDAKNGLRSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC(C)(C)C1 ZINC000876871634 590251890 /nfs/dbraw/zinc/25/18/90/590251890.db2.gz MYOVLLJPISJWQG-SECBINFHSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876980519 590264450 /nfs/dbraw/zinc/26/44/50/590264450.db2.gz IGQAYKLBSONWSV-SCZZXKLOSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000876980521 590264498 /nfs/dbraw/zinc/26/44/98/590264498.db2.gz IGQAYKLBSONWSV-WCBMZHEXSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(CC)CC[NH3+] ZINC000877006341 590268542 /nfs/dbraw/zinc/26/85/42/590268542.db2.gz SJFGCNVJCXMATO-QMMMGPOBSA-N 1 3 219.716 0.264 20 30 BCEDHO C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879577895 590812782 /nfs/dbraw/zinc/81/27/82/590812782.db2.gz NSDLAIYTTUWWFA-AVGNSLFASA-N 1 3 224.348 0.949 20 30 BCEDHO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@@H](CCN2C)C1 ZINC000879577895 590812783 /nfs/dbraw/zinc/81/27/83/590812783.db2.gz NSDLAIYTTUWWFA-AVGNSLFASA-N 1 3 224.348 0.949 20 30 BCEDHO C[NH+]=C(NCCCN(C)CCOC)NC1CC1 ZINC000103338411 592579287 /nfs/dbraw/zinc/57/92/87/592579287.db2.gz OSJBXGCWIZTAOZ-UHFFFAOYSA-N 1 3 242.367 0.282 20 30 BCEDHO CNC(NCCN1CCCCCC1)=[NH+]C ZINC000066245414 632861722 /nfs/dbraw/zinc/86/17/22/632861722.db2.gz CFRDWDZJUIFSAM-UHFFFAOYSA-N 1 3 212.341 0.657 20 30 BCEDHO CN1CC[C@@]2(CC[N@H+](CCOCCC#N)C2)C1 ZINC000339213099 635838040 /nfs/dbraw/zinc/83/80/40/635838040.db2.gz POUGQPZYKSOAPV-CYBMUJFWSA-N 1 3 237.347 0.944 20 30 BCEDHO CN1CC[C@@]2(CC[N@@H+](CCOCCC#N)C2)C1 ZINC000339213099 635838041 /nfs/dbraw/zinc/83/80/41/635838041.db2.gz POUGQPZYKSOAPV-CYBMUJFWSA-N 1 3 237.347 0.944 20 30 BCEDHO CN1CC[C@]2(CC[N@H+](CCOCCC#N)C2)C1 ZINC000339213100 635838115 /nfs/dbraw/zinc/83/81/15/635838115.db2.gz POUGQPZYKSOAPV-ZDUSSCGKSA-N 1 3 237.347 0.944 20 30 BCEDHO CN1CC[C@]2(CC[N@@H+](CCOCCC#N)C2)C1 ZINC000339213100 635838119 /nfs/dbraw/zinc/83/81/19/635838119.db2.gz POUGQPZYKSOAPV-ZDUSSCGKSA-N 1 3 237.347 0.944 20 30 BCEDHO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989488256 636859654 /nfs/dbraw/zinc/85/96/54/636859654.db2.gz QOOPAICZGUFHPR-CMPLNLGQSA-N 1 3 248.330 0.717 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC([NH3+])CC1 ZINC000911620766 639683457 /nfs/dbraw/zinc/68/34/57/639683457.db2.gz TXPRKRGYZNLMJY-NSHDSACASA-N 1 3 225.336 0.620 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000911672011 639698859 /nfs/dbraw/zinc/69/88/59/639698859.db2.gz INUJMNZCKACKRB-LBPRGKRZSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911656438 639712115 /nfs/dbraw/zinc/71/21/15/639712115.db2.gz NKICNIIQLBIMMJ-QWRGUYRKSA-N 1 3 225.336 0.490 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911656435 639712190 /nfs/dbraw/zinc/71/21/90/639712190.db2.gz NKICNIIQLBIMMJ-GHMZBOCLSA-N 1 3 225.336 0.490 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NCCC[NH2+]CC ZINC000911688547 639729057 /nfs/dbraw/zinc/72/90/57/639729057.db2.gz PYOLBVQOLLTPED-NSHDSACASA-N 1 3 227.352 0.786 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739135 639764005 /nfs/dbraw/zinc/76/40/05/639764005.db2.gz QNPWRUQBSPHXFJ-MNOVXSKESA-N 1 3 225.336 0.477 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751441 639776850 /nfs/dbraw/zinc/77/68/50/639776850.db2.gz JTRZRILEEXZKJI-WDEREUQCSA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751406 639777953 /nfs/dbraw/zinc/77/79/53/639777953.db2.gz JTRZRILEEXZKJI-MNOVXSKESA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911769632 639793269 /nfs/dbraw/zinc/79/32/69/639793269.db2.gz WHOHALNZBCSRKW-NEPJUHHUSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911802352 639824113 /nfs/dbraw/zinc/82/41/13/639824113.db2.gz JECCBAGPXGJFPX-AAEUAGOBSA-N 1 3 239.363 0.914 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC000911811406 639832725 /nfs/dbraw/zinc/83/27/25/639832725.db2.gz ACRSGJBIAGDUGX-ZJUUUORDSA-N 1 3 213.325 0.476 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911834828 639845873 /nfs/dbraw/zinc/84/58/73/639845873.db2.gz RXIQTOKYXUFYIJ-MNOVXSKESA-N 1 3 225.336 0.524 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911869328 639853670 /nfs/dbraw/zinc/85/36/70/639853670.db2.gz UZOAZEJTIZSTHN-NEPJUHHUSA-N 1 3 239.363 0.880 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000969074597 642823327 /nfs/dbraw/zinc/82/33/27/642823327.db2.gz KLBARDGRUSLNQU-VXGBXAGGSA-N 1 3 237.347 0.150 20 30 BCEDHO C=CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370605 642862533 /nfs/dbraw/zinc/86/25/33/642862533.db2.gz ZAVYTWBMJRIPBK-NEPJUHHUSA-N 1 3 237.347 0.457 20 30 BCEDHO C=CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370605 642862534 /nfs/dbraw/zinc/86/25/34/642862534.db2.gz ZAVYTWBMJRIPBK-NEPJUHHUSA-N 1 3 237.347 0.457 20 30 BCEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001010370607 642863048 /nfs/dbraw/zinc/86/30/48/642863048.db2.gz ZAVYTWBMJRIPBK-RYUDHWBXSA-N 1 3 237.347 0.457 20 30 BCEDHO C=CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010370607 642863050 /nfs/dbraw/zinc/86/30/50/642863050.db2.gz ZAVYTWBMJRIPBK-RYUDHWBXSA-N 1 3 237.347 0.457 20 30 BCEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001018629020 643004055 /nfs/dbraw/zinc/00/40/55/643004055.db2.gz XLYFVHINFPCGFV-RYUDHWBXSA-N 1 3 237.347 0.457 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001020588452 643219691 /nfs/dbraw/zinc/21/96/91/643219691.db2.gz BDUVJMJHQDGDBY-AVGNSLFASA-N 1 3 249.358 0.198 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC000969949196 643255267 /nfs/dbraw/zinc/25/52/67/643255267.db2.gz OJRGJZGOMAXWDB-QWHCGFSZSA-N 1 3 249.358 0.294 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC000969960734 643256461 /nfs/dbraw/zinc/25/64/61/643256461.db2.gz VLQAHVLQZPJDFY-CHWSQXEVSA-N 1 3 249.358 0.152 20 30 BCEDHO C=CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000970719639 643514089 /nfs/dbraw/zinc/51/40/89/643514089.db2.gz KENNUTKZCNTHOO-GFCCVEGCSA-N 1 3 237.347 0.459 20 30 BCEDHO N#Cc1cc(Cl)cc(CNC(CN)C[NH3+])c1 ZINC000923357371 644363847 /nfs/dbraw/zinc/36/38/47/644363847.db2.gz YHJXQKLZQCDHEN-UHFFFAOYSA-N 1 3 238.722 0.587 20 30 BCEDHO C=CCC[C@H](O)C[N@@H+]1CCCO[C@@H](CN)C1 ZINC000923378973 644391302 /nfs/dbraw/zinc/39/13/02/644391302.db2.gz MFMHEUQWKKMUJT-RYUDHWBXSA-N 1 3 228.336 0.363 20 30 BCEDHO C=CCC[C@H](O)C[N@H+]1CCCO[C@@H](CN)C1 ZINC000923378973 644391305 /nfs/dbraw/zinc/39/13/05/644391305.db2.gz MFMHEUQWKKMUJT-RYUDHWBXSA-N 1 3 228.336 0.363 20 30 BCEDHO CCOCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000303785692 644846781 /nfs/dbraw/zinc/84/67/81/644846781.db2.gz QOLORMYRZWEWFU-LLVKDONJSA-N 1 3 242.367 0.412 20 30 BCEDHO COCCN(C)CCCNC(=[NH2+])NC(C)(C)C ZINC000303897243 644855754 /nfs/dbraw/zinc/85/57/54/644855754.db2.gz QJDUKYRFQKSHBK-UHFFFAOYSA-N 1 3 244.383 0.658 20 30 BCEDHO N#CC1CCC(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925653022 646389967 /nfs/dbraw/zinc/38/99/67/646389967.db2.gz CKMYHFBASRNMRY-WXRRBKDZSA-N 1 3 237.347 0.894 20 30 BCEDHO C=CC[C@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000714996639 712503403 /nfs/dbraw/zinc/50/34/03/712503403.db2.gz SKBGLRUBSFSQRK-QWHCGFSZSA-N 1 3 223.364 0.931 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649323537 398144714 /nfs/dbraw/zinc/14/47/14/398144714.db2.gz BGKRJXFLIWVKBN-RTXFEEFZSA-N 1 3 249.358 0.503 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649323609 398145265 /nfs/dbraw/zinc/14/52/65/398145265.db2.gz HQOARWBXIZTLRI-ITGUQSILSA-N 1 3 249.358 0.218 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000237308431 136212490 /nfs/dbraw/zinc/21/24/90/136212490.db2.gz RBPVPDHZQXQJMB-NSHDSACASA-N 1 3 239.363 0.609 20 30 BCEDHO C=C(C)CCNC[C@@H](O)C[NH+]1CCCC1 ZINC000386746234 398218991 /nfs/dbraw/zinc/21/89/91/398218991.db2.gz ZQZIIEARPPYXEM-GFCCVEGCSA-N 1 3 212.337 0.999 20 30 BCEDHO C[C@@H]1CC[C@@H](NC(=O)[C@@H](N)CCCC#N)C[NH2+]1 ZINC000602554713 349596285 /nfs/dbraw/zinc/59/62/85/349596285.db2.gz OEKSKGXCTZAHRB-MXWKQRLJSA-N 1 3 238.335 0.264 20 30 BCEDHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@H](N)CCCCC#N ZINC000602595616 349643983 /nfs/dbraw/zinc/64/39/83/349643983.db2.gz IYKNDSHLPIIRKA-OUAUKWLOSA-N 1 3 238.335 0.346 20 30 BCEDHO CC(C#N)C(=O)NCCC[NH+]1CCCC1 ZINC000062079335 136271976 /nfs/dbraw/zinc/27/19/76/136271976.db2.gz HEKBVEKNYURXKY-SNVBAGLBSA-N 1 3 209.293 0.748 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062079197 136271989 /nfs/dbraw/zinc/27/19/89/136271989.db2.gz HBVKDQNCWBWFAO-GHMZBOCLSA-N 1 3 223.320 0.994 20 30 BCEDHO C=CCN(CCN1CC[NH2+]CC1)C1CC1 ZINC000131675733 344234158 /nfs/dbraw/zinc/23/41/58/344234158.db2.gz PJMOLKZXDYICQH-UHFFFAOYSA-N 1 3 209.337 0.542 20 30 BCEDHO CC(C)(CC#N)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000600736293 344365617 /nfs/dbraw/zinc/36/56/17/344365617.db2.gz OKXKLDULHCUYIW-LBPRGKRZSA-N 1 3 239.363 0.973 20 30 BCEDHO CC[NH+](CC)CCCNC(=O)C(C)C#N ZINC000044811018 344549187 /nfs/dbraw/zinc/54/91/87/344549187.db2.gz OHODGCCWMGYVOY-SNVBAGLBSA-N 1 3 211.309 0.994 20 30 BCEDHO C=CCN1CCC(NC(=O)CCC[NH3+])CC1 ZINC000237909745 344929276 /nfs/dbraw/zinc/92/92/76/344929276.db2.gz ZZNLAPOKBSFNML-UHFFFAOYSA-N 1 3 225.336 0.492 20 30 BCEDHO N#C[C@@H]1CC[C@@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000378867410 345687966 /nfs/dbraw/zinc/68/79/66/345687966.db2.gz FCWQDBXPCUQQPR-WISYIIOYSA-N 1 3 205.305 0.830 20 30 BCEDHO C[N@@H+]1CC[C@](O)(CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000309553804 347099683 /nfs/dbraw/zinc/09/96/83/347099683.db2.gz JBFHXLYYSRFDEK-WOPDTQHZSA-N 1 3 223.320 0.335 20 30 BCEDHO C[N@H+]1CC[C@](O)(CN[C@H]2CC[C@@H](C#N)C2)C1 ZINC000309553804 347099685 /nfs/dbraw/zinc/09/96/85/347099685.db2.gz JBFHXLYYSRFDEK-WOPDTQHZSA-N 1 3 223.320 0.335 20 30 BCEDHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](N)CCCCC#N ZINC000594426937 348043866 /nfs/dbraw/zinc/04/38/66/348043866.db2.gz RXMZYWYWTAUQNB-GHMZBOCLSA-N 1 3 240.351 0.497 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000594427976 348044820 /nfs/dbraw/zinc/04/48/20/348044820.db2.gz YQRJCQBYFXFLJY-GHMZBOCLSA-N 1 3 238.335 0.266 20 30 BCEDHO CC[NH2+]CCCNC(=O)[C@@H](N)CCCCC#N ZINC000594425152 348051581 /nfs/dbraw/zinc/05/15/81/348051581.db2.gz KDONHLCZSJCCCG-NSHDSACASA-N 1 3 240.351 0.513 20 30 BCEDHO CC[NH2+]CCNC(=O)[C@H](N)CCCCC#N ZINC000594425684 348052218 /nfs/dbraw/zinc/05/22/18/348052218.db2.gz LXOBMNNUISJFQR-SNVBAGLBSA-N 1 3 226.324 0.123 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000594426651 348052802 /nfs/dbraw/zinc/05/28/02/348052802.db2.gz QMCXMFKZERSYEJ-QWRGUYRKSA-N 1 3 238.335 0.266 20 30 BCEDHO CC[C@@H]([NH3+])CNC(=O)[C@@H](N)CCCCC#N ZINC000594444414 348055587 /nfs/dbraw/zinc/05/55/87/348055587.db2.gz RMPJDKISRZYBLZ-ZJUUUORDSA-N 1 3 226.324 0.251 20 30 BCEDHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594444286 348055822 /nfs/dbraw/zinc/05/58/22/348055822.db2.gz NVFKRFIMUDRRLQ-LPEHRKFASA-N 1 3 226.324 0.250 20 30 BCEDHO CC(C)[C@H]([NH3+])CCNC(=O)[C@H](N)CCCC#N ZINC000595951994 348403476 /nfs/dbraw/zinc/40/34/76/348403476.db2.gz VHLNABUEKGTKHU-GHMZBOCLSA-N 1 3 240.351 0.497 20 30 BCEDHO CC(C#N)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000597573731 348762343 /nfs/dbraw/zinc/76/23/43/348762343.db2.gz HXZVCCLQUBHREO-JQWIXIFHSA-N 1 3 239.319 0.061 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331742423 134001432 /nfs/dbraw/zinc/00/14/32/134001432.db2.gz BIMCXYXGZJFSGO-UWVGGRQHSA-N 1 3 221.304 0.747 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331742423 134001433 /nfs/dbraw/zinc/00/14/33/134001433.db2.gz BIMCXYXGZJFSGO-UWVGGRQHSA-N 1 3 221.304 0.747 20 30 BCEDHO N#Cc1cccc(CNCCN2CC[NH2+]CC2)c1 ZINC000083373027 181137752 /nfs/dbraw/zinc/13/77/52/181137752.db2.gz IPVFJZCVHAQWQZ-UHFFFAOYSA-N 1 3 244.342 0.553 20 30 BCEDHO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)C#N ZINC000345816992 354785684 /nfs/dbraw/zinc/78/56/84/354785684.db2.gz ONZJJSQSIHQRNG-UWVGGRQHSA-N 1 3 211.309 0.993 20 30 BCEDHO CC(C)[C@H]([NH3+])CNC(=O)[C@H](N)CCCC#N ZINC000424078701 192860751 /nfs/dbraw/zinc/86/07/51/192860751.db2.gz QGOOXPYOIBDAGL-NXEZZACHSA-N 1 3 226.324 0.107 20 30 BCEDHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)CCCC#N ZINC000424078820 192860847 /nfs/dbraw/zinc/86/08/47/192860847.db2.gz QGOOXPYOIBDAGL-VHSXEESVSA-N 1 3 226.324 0.107 20 30 BCEDHO C=CC[C@H](CO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000629584817 361473580 /nfs/dbraw/zinc/47/35/80/361473580.db2.gz URAAAOPXXPLHOX-STQMWFEESA-N 1 3 242.363 0.217 20 30 BCEDHO C=CCSCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000381285037 367374535 /nfs/dbraw/zinc/37/45/35/367374535.db2.gz ZGKAODAUSMVEIO-LBPRGKRZSA-N 1 3 244.404 0.950 20 30 BCEDHO C=CCSCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000381285037 367374542 /nfs/dbraw/zinc/37/45/42/367374542.db2.gz ZGKAODAUSMVEIO-LBPRGKRZSA-N 1 3 244.404 0.950 20 30 BCEDHO C#CCN(C)CCC[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000382830852 367562443 /nfs/dbraw/zinc/56/24/43/367562443.db2.gz IFWXYHDOXYHBTQ-KBPBESRZSA-N 1 3 237.391 0.871 20 30 BCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@]3(N)C2)C1=O ZINC000621784134 370535678 /nfs/dbraw/zinc/53/56/78/370535678.db2.gz KKMYEOCYDNLIRU-DYEKYZERSA-N 1 3 249.358 0.587 20 30 BCEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@]3(N)C2)C1=O ZINC000621784134 370535681 /nfs/dbraw/zinc/53/56/81/370535681.db2.gz KKMYEOCYDNLIRU-DYEKYZERSA-N 1 3 249.358 0.587 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227323782 134377654 /nfs/dbraw/zinc/37/76/54/134377654.db2.gz KJAGUKUXIZCUHQ-UTLUCORTSA-N 1 3 209.293 0.745 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227323782 134377655 /nfs/dbraw/zinc/37/76/55/134377655.db2.gz KJAGUKUXIZCUHQ-UTLUCORTSA-N 1 3 209.293 0.745 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335569912 384330874 /nfs/dbraw/zinc/33/08/74/384330874.db2.gz KFLQXSKLHUQMJS-ZYHUDNBSSA-N 1 3 221.304 0.700 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335569912 384330878 /nfs/dbraw/zinc/33/08/78/384330878.db2.gz KFLQXSKLHUQMJS-ZYHUDNBSSA-N 1 3 221.304 0.700 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335569908 384331046 /nfs/dbraw/zinc/33/10/46/384331046.db2.gz KFLQXSKLHUQMJS-JQWIXIFHSA-N 1 3 221.304 0.700 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335569908 384331050 /nfs/dbraw/zinc/33/10/50/384331050.db2.gz KFLQXSKLHUQMJS-JQWIXIFHSA-N 1 3 221.304 0.700 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335569907 384331970 /nfs/dbraw/zinc/33/19/70/384331970.db2.gz KFLQXSKLHUQMJS-CMPLNLGQSA-N 1 3 221.304 0.700 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000335569907 384331980 /nfs/dbraw/zinc/33/19/80/384331980.db2.gz KFLQXSKLHUQMJS-CMPLNLGQSA-N 1 3 221.304 0.700 20 30 BCEDHO CC[NH+](CC)CC[C@@H](CO)NC(=O)C(C)C#N ZINC000516661568 385053560 /nfs/dbraw/zinc/05/35/60/385053560.db2.gz MHTXGUWUERBXOH-QWRGUYRKSA-N 1 3 241.335 0.355 20 30 BCEDHO C=CCN1CCC(NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000423392566 387279338 /nfs/dbraw/zinc/27/93/38/387279338.db2.gz XSQFPMZZYNYBEX-UHFFFAOYSA-N 1 3 237.347 0.363 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000424079661 387479898 /nfs/dbraw/zinc/47/98/98/387479898.db2.gz RMKJWYLNJDAHNR-VWYCJHECSA-N 1 3 238.335 0.251 20 30 BCEDHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424151027 387792788 /nfs/dbraw/zinc/79/27/88/387792788.db2.gz FESXIBHVRFNBDP-AXFHLTTASA-N 1 3 238.335 0.216 20 30 BCEDHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)C#N)C1 ZINC000045136903 387966711 /nfs/dbraw/zinc/96/67/11/387966711.db2.gz CWWVZYOWXCXJLS-WDEREUQCSA-N 1 3 223.320 0.993 20 30 BCEDHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)C#N)C1 ZINC000045136903 387966715 /nfs/dbraw/zinc/96/67/15/387966715.db2.gz CWWVZYOWXCXJLS-WDEREUQCSA-N 1 3 223.320 0.993 20 30 BCEDHO C#CCNC(=O)CC[NH2+][C@@H](C)C1=CCN(C)CC1 ZINC000491419418 388293147 /nfs/dbraw/zinc/29/31/47/388293147.db2.gz URIVREIWSDGSHN-LBPRGKRZSA-N 1 3 249.358 0.366 20 30 BCEDHO C#CC[N@@H+](C)CCCNC(=O)CN(C)C(C)C ZINC000491725915 388315113 /nfs/dbraw/zinc/31/51/13/388315113.db2.gz FLWSHWCNXXDYQU-UHFFFAOYSA-N 1 3 239.363 0.398 20 30 BCEDHO C#CC[N@H+](C)CCCNC(=O)CN(C)C(C)C ZINC000491725915 388315114 /nfs/dbraw/zinc/31/51/14/388315114.db2.gz FLWSHWCNXXDYQU-UHFFFAOYSA-N 1 3 239.363 0.398 20 30 BCEDHO C#CCNC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000491749643 388317610 /nfs/dbraw/zinc/31/76/10/388317610.db2.gz GVNMSBKUIJUESH-YHWZYXNKSA-N 1 3 249.358 0.341 20 30 BCEDHO C#CCNC(=O)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000491749643 388317611 /nfs/dbraw/zinc/31/76/11/388317611.db2.gz GVNMSBKUIJUESH-YHWZYXNKSA-N 1 3 249.358 0.341 20 30 BCEDHO C=CCN1CCC(NC(=O)CCC[NH2+]C)CC1 ZINC000237151397 134511697 /nfs/dbraw/zinc/51/16/97/134511697.db2.gz CJFAJSHPMIZPLM-UHFFFAOYSA-N 1 3 239.363 0.753 20 30 BCEDHO CC[N@@H+]1CC[C@H](CNC(=O)C(C)C#N)C1 ZINC000250267704 135052088 /nfs/dbraw/zinc/05/20/88/135052088.db2.gz KSCJGMDDRFMTLA-NXEZZACHSA-N 1 3 209.293 0.604 20 30 BCEDHO CC[N@H+]1CC[C@H](CNC(=O)C(C)C#N)C1 ZINC000250267704 135052090 /nfs/dbraw/zinc/05/20/90/135052090.db2.gz KSCJGMDDRFMTLA-NXEZZACHSA-N 1 3 209.293 0.604 20 30 BCEDHO C=CCNC(=O)[C@@H](C)N1CCC(C[NH3+])CC1 ZINC000044514368 135226466 /nfs/dbraw/zinc/22/64/66/135226466.db2.gz MBCIIRIDEQZLCI-SNVBAGLBSA-N 1 3 225.336 0.348 20 30 BCEDHO CCCN1CCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262639557 135310337 /nfs/dbraw/zinc/31/03/37/135310337.db2.gz HKUPQSKOSOKYDM-QWRGUYRKSA-N 1 3 224.352 0.798 20 30 BCEDHO C[C@H]1C[NH+]=C(NCCNc2ccncc2)N1 ZINC000262637372 135310505 /nfs/dbraw/zinc/31/05/05/135310505.db2.gz HBOPNDPSSDSAPP-VIFPVBQESA-N 1 3 219.292 0.431 20 30 BCEDHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)C#N)C1 ZINC000347758862 136011906 /nfs/dbraw/zinc/01/19/06/136011906.db2.gz YYEOAHHIVYTSLJ-WDEREUQCSA-N 1 3 223.320 0.946 20 30 BCEDHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)C#N)C1 ZINC000347758862 136011907 /nfs/dbraw/zinc/01/19/07/136011907.db2.gz YYEOAHHIVYTSLJ-WDEREUQCSA-N 1 3 223.320 0.946 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H](CC)[NH2+]C)CC1 ZINC000662449362 412179619 /nfs/dbraw/zinc/17/96/19/412179619.db2.gz ZIYFYFWYYASPAS-LBPRGKRZSA-N 1 3 239.363 0.751 20 30 BCEDHO C=CC[C@@]1(C(=O)NCCN(C)C)CCC[NH2+]1 ZINC000662782463 412300739 /nfs/dbraw/zinc/30/07/39/412300739.db2.gz ZQNKMPYTLAGJMV-LBPRGKRZSA-N 1 3 225.336 0.363 20 30 BCEDHO C[C@@H]1C[C@@H](NCCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000353978871 176376418 /nfs/dbraw/zinc/37/64/18/176376418.db2.gz OGQWYPPVMJVPHE-MNOVXSKESA-N 1 3 248.334 0.222 20 30 BCEDHO C[C@@H]1C[C@@H](NCCn2cnc(C#N)n2)CC[N@H+]1C ZINC000353978871 176376420 /nfs/dbraw/zinc/37/64/20/176376420.db2.gz OGQWYPPVMJVPHE-MNOVXSKESA-N 1 3 248.334 0.222 20 30 BCEDHO C[C@H]1C[C@H](NCCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000353978873 177370757 /nfs/dbraw/zinc/37/07/57/177370757.db2.gz OGQWYPPVMJVPHE-WDEREUQCSA-N 1 3 248.334 0.222 20 30 BCEDHO C[C@H]1C[C@H](NCCn2cnc(C#N)n2)CC[N@H+]1C ZINC000353978873 177370758 /nfs/dbraw/zinc/37/07/58/177370758.db2.gz OGQWYPPVMJVPHE-WDEREUQCSA-N 1 3 248.334 0.222 20 30 BCEDHO C=CCN1CC[C@H](N2CCC(C[NH3+])CC2)C1=O ZINC000566244627 322979179 /nfs/dbraw/zinc/97/91/79/322979179.db2.gz GOUBMHGPLYFUOQ-LBPRGKRZSA-N 1 3 237.347 0.444 20 30 BCEDHO C=CCC[C@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000320666486 323182915 /nfs/dbraw/zinc/18/29/15/323182915.db2.gz RMUSPVJGTJZYOA-YPMHNXCESA-N 1 3 242.363 0.358 20 30 BCEDHO C=CCC[C@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000320666486 323182916 /nfs/dbraw/zinc/18/29/16/323182916.db2.gz RMUSPVJGTJZYOA-YPMHNXCESA-N 1 3 242.363 0.358 20 30 BCEDHO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCN1C ZINC000491508166 488033632 /nfs/dbraw/zinc/03/36/32/488033632.db2.gz YPOUPNFIROJWTB-GFCCVEGCSA-N 1 3 237.347 0.152 20 30 BCEDHO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCN1C ZINC000491508166 488033638 /nfs/dbraw/zinc/03/36/38/488033638.db2.gz YPOUPNFIROJWTB-GFCCVEGCSA-N 1 3 237.347 0.152 20 30 BCEDHO C=C[C@H](CO)[NH2+]C1CCN(CC2CC2)CC1 ZINC000309655973 490172142 /nfs/dbraw/zinc/17/21/42/490172142.db2.gz VSMLSDLAUMPIGF-GFCCVEGCSA-N 1 3 224.348 0.997 20 30 BCEDHO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(C)C#N ZINC000488163290 527716299 /nfs/dbraw/zinc/71/62/99/527716299.db2.gz FEEYMWRKVNQYLS-QWRGUYRKSA-N 1 3 241.335 0.619 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000261993096 535549400 /nfs/dbraw/zinc/54/94/00/535549400.db2.gz MXHSKQOVQANACJ-HBNTYKKESA-N 1 3 224.352 0.783 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@H]1CC12CC2 ZINC000263066221 535597772 /nfs/dbraw/zinc/59/77/72/535597772.db2.gz OEKPPOGDSNGSLO-QWRGUYRKSA-N 1 3 236.363 0.928 20 30 BCEDHO C=C(CN(C)C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000764472920 585466339 /nfs/dbraw/zinc/46/63/39/585466339.db2.gz VZZLTFCURXIWQZ-GFCCVEGCSA-N 1 3 239.363 0.657 20 30 BCEDHO C=C(C)C[N@H+](C)C[C@@H](O)CN1CCCC1 ZINC000778232449 585728616 /nfs/dbraw/zinc/72/86/16/585728616.db2.gz ZKEBKZYAVFMVLF-GFCCVEGCSA-N 1 3 212.337 0.951 20 30 BCEDHO C=C(C)C[N@@H+](C)C[C@@H](O)CN1CCCC1 ZINC000778232449 585728617 /nfs/dbraw/zinc/72/86/17/585728617.db2.gz ZKEBKZYAVFMVLF-GFCCVEGCSA-N 1 3 212.337 0.951 20 30 BCEDHO C[C@H]1CNC(NN=C2CCN(C)[C@@H](C)C2)=[NH+]1 ZINC000779794150 585763916 /nfs/dbraw/zinc/76/39/16/585763916.db2.gz CZKCKTARZOCARL-IUCAKERBSA-N 1 3 223.324 0.394 20 30 BCEDHO CC(=Nn1cnnc1)C1CC[NH+](C)CC1 ZINC000814682255 586629130 /nfs/dbraw/zinc/62/91/30/586629130.db2.gz HEGYTLRMIUGVOO-UHFFFAOYSA-N 1 3 207.281 0.844 20 30 BCEDHO NC(=[NH2+])N=NC1CCCN2CCCC[C@H]12 ZINC000848405032 588378250 /nfs/dbraw/zinc/37/82/50/588378250.db2.gz XEQTZMASKNURHO-SECBINFHSA-N 1 3 209.297 0.474 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C#N ZINC000849003860 588431774 /nfs/dbraw/zinc/43/17/74/588431774.db2.gz KHROODVZFNARNW-QWRGUYRKSA-N 1 3 237.351 0.744 20 30 BCEDHO CN1CCC[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852862113 588709055 /nfs/dbraw/zinc/70/90/55/588709055.db2.gz TUPXCXIKGZSFEP-CYBMUJFWSA-N 1 3 249.358 0.200 20 30 BCEDHO C[C@@H]1[C@H](C)NCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852878050 588710545 /nfs/dbraw/zinc/71/05/45/588710545.db2.gz GJHJEONJCUOALV-NWDGAFQWSA-N 1 3 249.358 0.198 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000876531914 590206752 /nfs/dbraw/zinc/20/67/52/590206752.db2.gz STZBKTVDKOHLIX-JGVFFNPUSA-N 1 3 219.716 0.262 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000876504647 590204263 /nfs/dbraw/zinc/20/42/63/590204263.db2.gz RQXNCGWVGKMNNK-IUCAKERBSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508098 590204951 /nfs/dbraw/zinc/20/49/51/590204951.db2.gz IIWCSRALKPQOML-RKDXNWHRSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000876510730 590205487 /nfs/dbraw/zinc/20/54/87/590205487.db2.gz ZBEULKYXFDDNPI-SNVBAGLBSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000876513257 590205924 /nfs/dbraw/zinc/20/59/24/590205924.db2.gz JFLKXDMRSAJDMR-ZJUUUORDSA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514782 590206487 /nfs/dbraw/zinc/20/64/87/590206487.db2.gz ZKOZMCGYQKBLAC-NXEZZACHSA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000876531916 590207020 /nfs/dbraw/zinc/20/70/20/590207020.db2.gz STZBKTVDKOHLIX-YUMQZZPRSA-N 1 3 219.716 0.262 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000876525658 590208464 /nfs/dbraw/zinc/20/84/64/590208464.db2.gz MSGFNULSZXRXBH-NXEZZACHSA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000876524965 590208507 /nfs/dbraw/zinc/20/85/07/590208507.db2.gz YCRINEYETRSBKG-SNVBAGLBSA-N 1 3 247.770 0.961 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000876529078 590209750 /nfs/dbraw/zinc/20/97/50/590209750.db2.gz DZMOKDMMUPTJDL-GXSJLCMTSA-N 1 3 245.754 0.700 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000876794913 590239756 /nfs/dbraw/zinc/23/97/56/590239756.db2.gz BVQBSFSDFDZRRX-BBBLOLIVSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000876788238 590240774 /nfs/dbraw/zinc/24/07/74/590240774.db2.gz YCBXQQPEEQIMGX-HTRCEHHLSA-N 1 3 219.716 0.167 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000876792253 590241984 /nfs/dbraw/zinc/24/19/84/590241984.db2.gz VAHVVYCWPMLJEL-BDAKNGLRSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000876831401 590247528 /nfs/dbraw/zinc/24/75/28/590247528.db2.gz ZJDKKUZQYJQXKL-HGNGGELXSA-N 1 3 245.754 0.571 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000876860663 590250573 /nfs/dbraw/zinc/25/05/73/590250573.db2.gz GWVAVGMGYASXJO-CSMHCCOUSA-N 1 3 219.716 0.308 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)C1CC([NH3+])C1 ZINC000876861537 590250908 /nfs/dbraw/zinc/25/09/08/590250908.db2.gz BOKAIMWRHPSKJQ-AMDVSUOASA-N 1 3 231.727 0.404 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000876869354 590251240 /nfs/dbraw/zinc/25/12/40/590251240.db2.gz DTUBAEAYBJLOLJ-UTLUCORTSA-N 1 3 245.754 0.700 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872430 590251803 /nfs/dbraw/zinc/25/18/03/590251803.db2.gz ZECPZAUARAVKJJ-UTLUCORTSA-N 1 3 243.738 0.277 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CCC[NH2+]C ZINC000876922033 590257411 /nfs/dbraw/zinc/25/74/11/590257411.db2.gz PRJNAGYFPVAWIB-SECBINFHSA-N 1 3 233.743 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000876935340 590258151 /nfs/dbraw/zinc/25/81/51/590258151.db2.gz RQOMSRFOLCVFFH-HLTSFMKQSA-N 1 3 233.743 0.698 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876967062 590262569 /nfs/dbraw/zinc/26/25/69/590262569.db2.gz BGMYCPBDUAMZLT-INWMGODYSA-N 1 3 243.738 0.406 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[NH2+]C ZINC000876977699 590264076 /nfs/dbraw/zinc/26/40/76/590264076.db2.gz BEVCYGJDGMJZIX-SFYZADRCSA-N 1 3 219.716 0.180 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877107729 590285879 /nfs/dbraw/zinc/28/58/79/590285879.db2.gz KSCFJGFMRAGURD-HTQZYQBOSA-N 1 3 219.716 0.262 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000877173012 590294187 /nfs/dbraw/zinc/29/41/87/590294187.db2.gz WWEBCZOYUBFTMS-YIZRAAEISA-N 1 3 231.727 0.404 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171587 590296369 /nfs/dbraw/zinc/29/63/69/590296369.db2.gz CCPNEAWZPUTYDJ-AEJSXWLSSA-N 1 3 243.738 0.419 20 30 BCEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001028981168 635860553 /nfs/dbraw/zinc/86/05/53/635860553.db2.gz JDGTZKWNYNHZRS-CHWSQXEVSA-N 1 3 249.358 0.009 20 30 BCEDHO C#CCN1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001028981168 635860560 /nfs/dbraw/zinc/86/05/60/635860560.db2.gz JDGTZKWNYNHZRS-CHWSQXEVSA-N 1 3 249.358 0.009 20 30 BCEDHO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989488264 636859706 /nfs/dbraw/zinc/85/97/06/636859706.db2.gz QOOPAICZGUFHPR-ZYHUDNBSSA-N 1 3 248.330 0.717 20 30 BCEDHO C=CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)CN)C1 ZINC000904477358 637427208 /nfs/dbraw/zinc/42/72/08/637427208.db2.gz USSSHSFVRAFRSA-LLVKDONJSA-N 1 3 239.363 0.738 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911705738 639757739 /nfs/dbraw/zinc/75/77/39/639757739.db2.gz BUWZUJQXLKDASY-RYUDHWBXSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911775323 639796199 /nfs/dbraw/zinc/79/61/99/639796199.db2.gz RHIHWIYQNFIQPW-NEPJUHHUSA-N 1 3 239.363 0.738 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911787737 639804999 /nfs/dbraw/zinc/80/49/99/639804999.db2.gz LHXZMQFJFUKQLA-QWRGUYRKSA-N 1 3 225.336 0.490 20 30 BCEDHO C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)N[C@@H](C)C1 ZINC000911795295 639819744 /nfs/dbraw/zinc/81/97/44/639819744.db2.gz INTJBVIJENKSBK-SRVKXCTJSA-N 1 3 239.363 0.879 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911811403 639833039 /nfs/dbraw/zinc/83/30/39/639833039.db2.gz ACRSGJBIAGDUGX-UWVGGRQHSA-N 1 3 213.325 0.476 20 30 BCEDHO C=C(C)[C@H](CO)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931482636 640233676 /nfs/dbraw/zinc/23/36/76/640233676.db2.gz KAFWTACCUFXRQX-LBPRGKRZSA-N 1 3 242.363 0.312 20 30 BCEDHO C#CCC1(NC[C@@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000933297220 642512267 /nfs/dbraw/zinc/51/22/67/642512267.db2.gz ZRKNIVHGWCVUOP-CYBMUJFWSA-N 1 3 236.359 0.977 20 30 BCEDHO C#CCC1(NC[C@@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000933297220 642512275 /nfs/dbraw/zinc/51/22/75/642512275.db2.gz ZRKNIVHGWCVUOP-CYBMUJFWSA-N 1 3 236.359 0.977 20 30 BCEDHO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC000967897146 642805200 /nfs/dbraw/zinc/80/52/00/642805200.db2.gz XLYFVHINFPCGFV-VXGBXAGGSA-N 1 3 237.347 0.457 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC000968924408 642822022 /nfs/dbraw/zinc/82/20/22/642822022.db2.gz GLKIESVYIXJYFL-GFCCVEGCSA-N 1 3 249.358 0.294 20 30 BCEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370608 642860066 /nfs/dbraw/zinc/86/00/66/642860066.db2.gz ZAVYTWBMJRIPBK-VXGBXAGGSA-N 1 3 237.347 0.457 20 30 BCEDHO C=CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010370608 642860069 /nfs/dbraw/zinc/86/00/69/642860069.db2.gz ZAVYTWBMJRIPBK-VXGBXAGGSA-N 1 3 237.347 0.457 20 30 BCEDHO C=CC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001019436932 643033862 /nfs/dbraw/zinc/03/38/62/643033862.db2.gz APFXHYWKWLRQLA-JTQLQIEISA-N 1 3 234.303 0.329 20 30 BCEDHO C=CCC[C@H](O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331771 644360675 /nfs/dbraw/zinc/36/06/75/644360675.db2.gz ICOQCNZZCFCRBG-QWHCGFSZSA-N 1 3 224.348 0.999 20 30 BCEDHO C=CCC[C@@H](O)C[N@@H+]1CCCO[C@@H](CN)C1 ZINC000923378971 644391942 /nfs/dbraw/zinc/39/19/42/644391942.db2.gz MFMHEUQWKKMUJT-NEPJUHHUSA-N 1 3 228.336 0.363 20 30 BCEDHO C=CCC[C@@H](O)C[N@H+]1CCCO[C@@H](CN)C1 ZINC000923378971 644391947 /nfs/dbraw/zinc/39/19/47/644391947.db2.gz MFMHEUQWKKMUJT-NEPJUHHUSA-N 1 3 228.336 0.363 20 30 BCEDHO CCCNC(=[NH2+])NCCCN(C)CCOC ZINC000303911822 644857590 /nfs/dbraw/zinc/85/75/90/644857590.db2.gz ZVJOKDKROGTJPE-UHFFFAOYSA-N 1 3 230.356 0.269 20 30 BCEDHO C=CC[C@H](CO)CN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925629869 646374358 /nfs/dbraw/zinc/37/43/58/646374358.db2.gz MBVBQNQBYLUAHM-GRYCIOLGSA-N 1 3 212.337 0.901 20 30 BCEDHO C=C(C)C[C@H](CO)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000925773121 646474019 /nfs/dbraw/zinc/47/40/19/646474019.db2.gz WWYUTZTZDIJOCK-SDDRHHMPSA-N 1 3 212.337 0.901 20 30 BCEDHO N#Cc1ccc(NCC[NH2+][C@H]2CCC[C@@H]2N)nc1 ZINC000925892987 646534454 /nfs/dbraw/zinc/53/44/54/646534454.db2.gz JDSIQJGNYYGXCI-RYUDHWBXSA-N 1 3 245.330 0.835 20 30 BCEDHO C=C(C)CN1CCC(O)(C[NH+](C)C)CC1 ZINC000710642817 712264418 /nfs/dbraw/zinc/26/44/18/712264418.db2.gz UHNYDGUTIJHGDQ-UHFFFAOYSA-N 1 3 212.337 0.951 20 30 BCEDHO C[N@@H+]1CC[C@@H]2CN(CCOCCC#N)C[C@@H]2C1 ZINC000385177469 711007413 /nfs/dbraw/zinc/00/74/13/711007413.db2.gz ASWIWNUZZXWOQW-OLZOCXBDSA-N 1 3 237.347 0.800 20 30 BCEDHO C[N@H+]1CC[C@@H]2CN(CCOCCC#N)C[C@@H]2C1 ZINC000385177469 711007418 /nfs/dbraw/zinc/00/74/18/711007418.db2.gz ASWIWNUZZXWOQW-OLZOCXBDSA-N 1 3 237.347 0.800 20 30 BCEDHO C[NH2+]CCN(C)C(=O)[C@@H](N)CCCCC#N ZINC000709492467 712222952 /nfs/dbraw/zinc/22/29/52/712222952.db2.gz AGFSANTZDITARJ-JTQLQIEISA-N 1 3 226.324 0.075 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000602172804 349459396 /nfs/dbraw/zinc/45/93/96/349459396.db2.gz PXFNJDMTWPUHTA-KXUCPTDWSA-N 1 3 223.320 0.991 20 30 BCEDHO C[C@H](CNC1=[NH+]CCN1C)N1CCC[C@@H](C)C1 ZINC000262669768 136374765 /nfs/dbraw/zinc/37/47/65/136374765.db2.gz QMOLGNMNJQKYHQ-VXGBXAGGSA-N 1 3 238.379 0.998 20 30 BCEDHO CC(C#N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044828042 344551940 /nfs/dbraw/zinc/55/19/40/344551940.db2.gz DLISVMRRWDQODY-VIFPVBQESA-N 1 3 209.293 0.604 20 30 BCEDHO CN(C)CCOCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309835860 347181121 /nfs/dbraw/zinc/18/11/21/347181121.db2.gz BAHBQTHHGRYCII-NEPJUHHUSA-N 1 3 225.336 0.846 20 30 BCEDHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)CCCCC#N ZINC000594426946 348043818 /nfs/dbraw/zinc/04/38/18/348043818.db2.gz RXMZYWYWTAUQNB-QWRGUYRKSA-N 1 3 240.351 0.497 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000594425719 348052059 /nfs/dbraw/zinc/05/20/59/348052059.db2.gz MNRXBJQTZKBNCY-GHMZBOCLSA-N 1 3 238.335 0.251 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000594425723 348052086 /nfs/dbraw/zinc/05/20/86/348052086.db2.gz MNRXBJQTZKBNCY-WDEREUQCSA-N 1 3 238.335 0.251 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000594426650 348053010 /nfs/dbraw/zinc/05/30/10/348053010.db2.gz QMCXMFKZERSYEJ-MNOVXSKESA-N 1 3 238.335 0.266 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000594438815 348054298 /nfs/dbraw/zinc/05/42/98/348054298.db2.gz LZOYWWCIIKVZBJ-QWRGUYRKSA-N 1 3 238.335 0.251 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597531263 348756613 /nfs/dbraw/zinc/75/66/13/348756613.db2.gz BKRTZXSQUQPEKV-IVZWLZJFSA-N 1 3 209.293 0.745 20 30 BCEDHO CC(C#N)C(=O)NCC12CCC[NH+]1CCC2 ZINC000597587420 348758949 /nfs/dbraw/zinc/75/89/49/348758949.db2.gz SYCHYDZJLMQPBE-SNVBAGLBSA-N 1 3 221.304 0.891 20 30 BCEDHO CC(C#N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000597989562 348851452 /nfs/dbraw/zinc/85/14/52/348851452.db2.gz GFELRSRMWMSFBK-NSHDSACASA-N 1 3 240.351 0.146 20 30 BCEDHO CC(C#N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000346416507 354952170 /nfs/dbraw/zinc/95/21/70/354952170.db2.gz SKTMDBNFMGOEKS-GMTAPVOTSA-N 1 3 223.320 0.945 20 30 BCEDHO CC(C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000346416507 354952173 /nfs/dbraw/zinc/95/21/73/354952173.db2.gz SKTMDBNFMGOEKS-GMTAPVOTSA-N 1 3 223.320 0.945 20 30 BCEDHO CC#CCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000389605139 357001810 /nfs/dbraw/zinc/00/18/10/357001810.db2.gz ARWIAVRBLLSTDS-LBPRGKRZSA-N 1 3 210.321 0.445 20 30 BCEDHO CC#CCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000389605139 357001815 /nfs/dbraw/zinc/00/18/15/357001815.db2.gz ARWIAVRBLLSTDS-LBPRGKRZSA-N 1 3 210.321 0.445 20 30 BCEDHO N#CCCC[C@@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000424055794 192857342 /nfs/dbraw/zinc/85/73/42/192857342.db2.gz FLQQPTOGMOQVLJ-WDEREUQCSA-N 1 3 238.335 0.347 20 30 BCEDHO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)C#N ZINC000041680712 361711070 /nfs/dbraw/zinc/71/10/70/361711070.db2.gz ATZURLUATIXAHM-NXEZZACHSA-N 1 3 211.309 0.993 20 30 BCEDHO CC[NH+](CC)C[C@H](C)NC(=O)C(C)C#N ZINC000041680711 361711138 /nfs/dbraw/zinc/71/11/38/361711138.db2.gz ATZURLUATIXAHM-UWVGGRQHSA-N 1 3 211.309 0.993 20 30 BCEDHO N#Cc1ncn(CCN[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000573386241 364820496 /nfs/dbraw/zinc/82/04/96/364820496.db2.gz XBICZXMXXXCWTK-VHSXEESVSA-N 1 3 234.307 0.009 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000390804273 371236703 /nfs/dbraw/zinc/23/67/03/371236703.db2.gz WLZMJCCDRLIATE-UTLUCORTSA-N 1 3 209.293 0.697 20 30 BCEDHO CN(C)CCOc1cccc(CNC(N)=[NH2+])c1 ZINC000161518596 384497773 /nfs/dbraw/zinc/49/77/73/384497773.db2.gz KLIXVWSMRZATKI-UHFFFAOYSA-N 1 3 236.319 0.400 20 30 BCEDHO C[NH+]=C(NCCCN(C)C)NCc1ccco1 ZINC000103337723 384759088 /nfs/dbraw/zinc/75/90/88/384759088.db2.gz DNQIQPYZTVUHIH-UHFFFAOYSA-N 1 3 238.335 0.896 20 30 BCEDHO C=CCNC(=O)[C@H](C)N1CCC[C@@H](CC[NH3+])C1 ZINC000226328325 384983268 /nfs/dbraw/zinc/98/32/68/384983268.db2.gz QYXKUVZBZXDBEA-RYUDHWBXSA-N 1 3 239.363 0.738 20 30 BCEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427800558 385172694 /nfs/dbraw/zinc/17/26/94/385172694.db2.gz SPLQUKQVCXUUBY-BBBLOLIVSA-N 1 3 207.277 0.166 20 30 BCEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427800558 385172703 /nfs/dbraw/zinc/17/27/03/385172703.db2.gz SPLQUKQVCXUUBY-BBBLOLIVSA-N 1 3 207.277 0.166 20 30 BCEDHO CCC[N@H+](CC)CCNC(=O)C(C)C#N ZINC000222267055 386040923 /nfs/dbraw/zinc/04/09/23/386040923.db2.gz KORFTDACIWRDMJ-JTQLQIEISA-N 1 3 211.309 0.994 20 30 BCEDHO CCC[N@@H+](CC)CCNC(=O)C(C)C#N ZINC000222267055 386040926 /nfs/dbraw/zinc/04/09/26/386040926.db2.gz KORFTDACIWRDMJ-JTQLQIEISA-N 1 3 211.309 0.994 20 30 BCEDHO CC(C#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000347076498 386218941 /nfs/dbraw/zinc/21/89/41/386218941.db2.gz SVNDKIQDAOWVHD-PSASIEDQSA-N 1 3 209.293 0.602 20 30 BCEDHO CCCC[C@H](C[NH3+])NC(=O)[C@@H](N)CCCC#N ZINC000424075946 387477981 /nfs/dbraw/zinc/47/79/81/387477981.db2.gz KOFPPAFGGQVFKQ-MNOVXSKESA-N 1 3 240.351 0.641 20 30 BCEDHO CC[NH2+][C@H](C)CNC(=O)[C@@H](N)CCCC#N ZINC000424164720 387849048 /nfs/dbraw/zinc/84/90/48/387849048.db2.gz XLBUTRKLCZRHAC-ZJUUUORDSA-N 1 3 226.324 0.122 20 30 BCEDHO CN(C(=O)[C@@H](N)CCCC#N)C1(C[NH3+])CCC1 ZINC000424171010 387862479 /nfs/dbraw/zinc/86/24/79/387862479.db2.gz BRGZRKAPJAEACL-JTQLQIEISA-N 1 3 238.335 0.347 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000083907666 388067302 /nfs/dbraw/zinc/06/73/02/388067302.db2.gz VVYFJANOICSJIL-GFCCVEGCSA-N 1 3 237.347 0.505 20 30 BCEDHO C#CCNC(=O)CCNCCC[NH+]1CCCC1 ZINC000491652364 388308079 /nfs/dbraw/zinc/30/80/79/388308079.db2.gz AFQVFLKGCYTVMA-UHFFFAOYSA-N 1 3 237.347 0.201 20 30 BCEDHO C#CCNC(=O)CC[NH2+]CCCN1CCCC1 ZINC000491652364 388308080 /nfs/dbraw/zinc/30/80/80/388308080.db2.gz AFQVFLKGCYTVMA-UHFFFAOYSA-N 1 3 237.347 0.201 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218414464 134254582 /nfs/dbraw/zinc/25/45/82/134254582.db2.gz ZGOWJQUMLVECOO-VWYCJHECSA-N 1 3 221.304 0.889 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218414464 134254583 /nfs/dbraw/zinc/25/45/83/134254583.db2.gz ZGOWJQUMLVECOO-VWYCJHECSA-N 1 3 221.304 0.889 20 30 BCEDHO C[NH+]=C(NC[C@@H]1CCN(C)C1)N1CCCC1 ZINC000262193342 135285248 /nfs/dbraw/zinc/28/52/48/135285248.db2.gz ZARBEZJWRGZJGI-NSHDSACASA-N 1 3 224.352 0.609 20 30 BCEDHO CN(C)CC1(CNC2=[NH+]CCN2C)CCCC1 ZINC000262627041 135309576 /nfs/dbraw/zinc/30/95/76/135309576.db2.gz DSZORYBPGWKQSK-UHFFFAOYSA-N 1 3 238.379 0.999 20 30 BCEDHO CC1(C)CCCN1CCNC(=[NH2+])N1CCC1 ZINC000263128665 135334847 /nfs/dbraw/zinc/33/48/47/135334847.db2.gz MTUIDRLIKHAFFC-UHFFFAOYSA-N 1 3 224.352 0.881 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000594439559 397973662 /nfs/dbraw/zinc/97/36/62/397973662.db2.gz SAMIXZULPKRGKJ-SNVBAGLBSA-N 1 3 238.335 0.395 20 30 BCEDHO C#CCNC(=O)CCN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491674945 398058628 /nfs/dbraw/zinc/05/86/28/398058628.db2.gz STSJQYNQWMGPBW-RYUDHWBXSA-N 1 3 237.347 0.198 20 30 BCEDHO C#CCNC(=O)CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491674945 398058629 /nfs/dbraw/zinc/05/86/29/398058629.db2.gz STSJQYNQWMGPBW-RYUDHWBXSA-N 1 3 237.347 0.198 20 30 BCEDHO C=CCCC[N@@H+](C)C[C@](C)(O)CNC ZINC000652338090 411204970 /nfs/dbraw/zinc/20/49/70/411204970.db2.gz AJONZYLQTHRFJC-LLVKDONJSA-N 1 3 200.326 0.855 20 30 BCEDHO C=CCCC[N@H+](C)C[C@](C)(O)CNC ZINC000652338090 411204974 /nfs/dbraw/zinc/20/49/74/411204974.db2.gz AJONZYLQTHRFJC-LLVKDONJSA-N 1 3 200.326 0.855 20 30 BCEDHO C=CCCCN(C)C[C@](C)(O)C[NH2+]C ZINC000652338090 411204975 /nfs/dbraw/zinc/20/49/75/411204975.db2.gz AJONZYLQTHRFJC-LLVKDONJSA-N 1 3 200.326 0.855 20 30 BCEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1CNC1 ZINC000424388795 411249822 /nfs/dbraw/zinc/24/98/22/411249822.db2.gz ZQGKLJVVWQKQJO-SCVCMEIPSA-N 1 3 210.321 0.775 20 30 BCEDHO C=CCN1CCC(NC(=O)CC2([NH3+])CC2)CC1 ZINC000662720966 412283623 /nfs/dbraw/zinc/28/36/23/412283623.db2.gz HIAFYJBAOWIEJU-UHFFFAOYSA-N 1 3 237.347 0.634 20 30 BCEDHO C=CCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000335397086 534854922 /nfs/dbraw/zinc/85/49/22/534854922.db2.gz UUVACXPWTAYSQX-NSHDSACASA-N 1 3 210.321 0.860 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000261993097 535549890 /nfs/dbraw/zinc/54/98/90/535549890.db2.gz MXHSKQOVQANACJ-MXWKQRLJSA-N 1 3 224.352 0.783 20 30 BCEDHO C=C(C[NH+](C)C)C(=O)N1C[C@@H](CC)N[C@@H](C)C1 ZINC000856408558 588871948 /nfs/dbraw/zinc/87/19/48/588871948.db2.gz MZQFYMRRJXRGRT-NWDGAFQWSA-N 1 3 239.363 0.703 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)N1CCCN(C)CC1 ZINC000899935596 584257670 /nfs/dbraw/zinc/25/76/70/584257670.db2.gz PHYUJSVMIOUBPP-UHFFFAOYSA-N 1 3 239.363 0.658 20 30 BCEDHO C=C(CN(C)C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000764472922 585466263 /nfs/dbraw/zinc/46/62/63/585466263.db2.gz VZZLTFCURXIWQZ-LBPRGKRZSA-N 1 3 239.363 0.657 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000826722799 587360053 /nfs/dbraw/zinc/36/00/53/587360053.db2.gz XHODPQFQWIJTPN-LLVKDONJSA-N 1 3 239.363 0.562 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000826722799 587360054 /nfs/dbraw/zinc/36/00/54/587360054.db2.gz XHODPQFQWIJTPN-LLVKDONJSA-N 1 3 239.363 0.562 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832496571 587663372 /nfs/dbraw/zinc/66/33/72/587663372.db2.gz VGUYYCJPQYTGFZ-VXGBXAGGSA-N 1 3 239.363 0.703 20 30 BCEDHO NC(=[NH2+])N=NC1CCCN2CCCC[C@@H]12 ZINC000848405033 588377962 /nfs/dbraw/zinc/37/79/62/588377962.db2.gz XEQTZMASKNURHO-VIFPVBQESA-N 1 3 209.297 0.474 20 30 BCEDHO C=CCNC(=[NH2+])NCCNc1ccncc1 ZINC000848995211 588428720 /nfs/dbraw/zinc/42/87/20/588428720.db2.gz GOSKFKMJZPPDFQ-UHFFFAOYSA-N 1 3 219.292 0.215 20 30 BCEDHO C[C@@H]1C[NH+]=C(NCCN2CCCC2(C)C)N1 ZINC000849039057 588446719 /nfs/dbraw/zinc/44/67/19/588446719.db2.gz GHNVEQQGVUPYPC-SNVBAGLBSA-N 1 3 224.352 0.798 20 30 BCEDHO C#CCOCC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000852078247 588660199 /nfs/dbraw/zinc/66/01/99/588660199.db2.gz OCCRNPGTJGSBKS-ZDUSSCGKSA-N 1 3 222.332 0.664 20 30 BCEDHO C#CCOCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000852078247 588660200 /nfs/dbraw/zinc/66/02/00/588660200.db2.gz OCCRNPGTJGSBKS-ZDUSSCGKSA-N 1 3 222.332 0.664 20 30 BCEDHO CN(CCNC(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852862499 588709291 /nfs/dbraw/zinc/70/92/91/588709291.db2.gz GPTFSXPRZVRELQ-UHFFFAOYSA-N 1 3 249.358 0.200 20 30 BCEDHO C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000852874085 588709840 /nfs/dbraw/zinc/70/98/40/588709840.db2.gz HZEPDKBSTSYMPP-NEPJUHHUSA-N 1 3 249.358 0.198 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000876503657 590204220 /nfs/dbraw/zinc/20/42/20/590204220.db2.gz BMPSTSQQTYVENG-SFYZADRCSA-N 1 3 217.700 0.016 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000876507723 590205082 /nfs/dbraw/zinc/20/50/82/590205082.db2.gz LXAQFWPAUKQSSB-SNVBAGLBSA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876521937 590207322 /nfs/dbraw/zinc/20/73/22/590207322.db2.gz BZUWEYSGRPTNFY-BDAKNGLRSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000876526648 590208592 /nfs/dbraw/zinc/20/85/92/590208592.db2.gz ZKNQYAAKJQQFIV-NXEZZACHSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000876532071 590210328 /nfs/dbraw/zinc/21/03/28/590210328.db2.gz AWZOAGYYBVOLIZ-SFGNSQDASA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000876534351 590210819 /nfs/dbraw/zinc/21/08/19/590210819.db2.gz AYZWWTHSXGAUDQ-KOLCDFICSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000876534094 590210842 /nfs/dbraw/zinc/21/08/42/590210842.db2.gz OEXBRLHHUPIMIL-BDAKNGLRSA-N 1 3 233.743 0.556 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000876538239 590211463 /nfs/dbraw/zinc/21/14/63/590211463.db2.gz FXGGNUJHGWNTOR-BDAKNGLRSA-N 1 3 231.727 0.406 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000876538244 590211660 /nfs/dbraw/zinc/21/16/60/590211660.db2.gz FXGGNUJHGWNTOR-RKDXNWHRSA-N 1 3 231.727 0.406 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000876870987 590251955 /nfs/dbraw/zinc/25/19/55/590251955.db2.gz FRIQMRIZOMEILU-IUCAKERBSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000876935343 590258353 /nfs/dbraw/zinc/25/83/53/590258353.db2.gz RQOMSRFOLCVFFH-VGMNWLOBSA-N 1 3 233.743 0.698 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000876935345 590258414 /nfs/dbraw/zinc/25/84/14/590258414.db2.gz RQOMSRFOLCVFFH-YIZRAAEISA-N 1 3 233.743 0.698 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000876933800 590258695 /nfs/dbraw/zinc/25/86/95/590258695.db2.gz ZPEXBVNKRBXJQG-KXUCPTDWSA-N 1 3 245.754 0.842 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000876938604 590259014 /nfs/dbraw/zinc/25/90/14/590259014.db2.gz JZFNQZBXTLCLLU-SNVBAGLBSA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000876976992 590264093 /nfs/dbraw/zinc/26/40/93/590264093.db2.gz QKJVJOYYWOBUND-INWMGODYSA-N 1 3 243.738 0.325 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244930 590303041 /nfs/dbraw/zinc/30/30/41/590303041.db2.gz VRQZEPACWOXXHV-IWSPIJDZSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364290 591916459 /nfs/dbraw/zinc/91/64/59/591916459.db2.gz PQBYLVQDORPZAM-YIZRAAEISA-N 1 3 245.754 0.698 20 30 BCEDHO CN(C)C(=[NH+]C[C@H](C1CC1)N(C)C)N(C)C ZINC000104175802 634573663 /nfs/dbraw/zinc/57/36/63/634573663.db2.gz STRNXECKMPPROR-LLVKDONJSA-N 1 3 226.368 0.806 20 30 BCEDHO CN(C)C(=[NH+]C[C@@H](C1CC1)N(C)C)N(C)C ZINC000104175798 634574774 /nfs/dbraw/zinc/57/47/74/634574774.db2.gz STRNXECKMPPROR-NSHDSACASA-N 1 3 226.368 0.806 20 30 BCEDHO C[C@@H](C#N)OCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000310470335 632746069 /nfs/dbraw/zinc/74/60/69/632746069.db2.gz BFESOJXLANHNJE-STQMWFEESA-N 1 3 237.347 0.943 20 30 BCEDHO C[C@@H](C#N)OCC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000310470335 632746076 /nfs/dbraw/zinc/74/60/76/632746076.db2.gz BFESOJXLANHNJE-STQMWFEESA-N 1 3 237.347 0.943 20 30 BCEDHO C[C@@H](CNC(=[NH2+])NC1CC1)N1CCCC1 ZINC000066245314 632860837 /nfs/dbraw/zinc/86/08/37/632860837.db2.gz AUUMAQUYJNWJQE-VIFPVBQESA-N 1 3 210.325 0.537 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@H]1C ZINC000928427607 635905423 /nfs/dbraw/zinc/90/54/23/635905423.db2.gz KDWZSCIJTADEMA-RYUDHWBXSA-N 1 3 239.363 0.703 20 30 BCEDHO C=CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001019774833 633789558 /nfs/dbraw/zinc/78/95/58/633789558.db2.gz KENNUTKZCNTHOO-LBPRGKRZSA-N 1 3 237.347 0.459 20 30 BCEDHO COCCN(C)CCCNC(=[NH2+])N(C)C1CC1 ZINC000181464972 633917284 /nfs/dbraw/zinc/91/72/84/633917284.db2.gz IEEYQOVEQXJHFX-UHFFFAOYSA-N 1 3 242.367 0.364 20 30 BCEDHO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989488261 636859318 /nfs/dbraw/zinc/85/93/18/636859318.db2.gz QOOPAICZGUFHPR-PWSUYJOCSA-N 1 3 248.330 0.717 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000911628959 639689473 /nfs/dbraw/zinc/68/94/73/639689473.db2.gz QVTPMWWTHXYRLY-NSHDSACASA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NCCC[NH2+]C ZINC000911677470 639717659 /nfs/dbraw/zinc/71/76/59/639717659.db2.gz RVKOSWPUQIMXSB-JTQLQIEISA-N 1 3 213.325 0.396 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673601 639735826 /nfs/dbraw/zinc/73/58/26/639735826.db2.gz MTLCTIBZOPAINF-QWRGUYRKSA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911673602 639736305 /nfs/dbraw/zinc/73/63/05/639736305.db2.gz MTLCTIBZOPAINF-WDEREUQCSA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000911795297 639808454 /nfs/dbraw/zinc/80/84/54/639808454.db2.gz INTJBVIJENKSBK-TUAOUCFPSA-N 1 3 239.363 0.879 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911817670 639850429 /nfs/dbraw/zinc/85/04/29/639850429.db2.gz IWTVMWWIJKWXOH-WOPDTQHZSA-N 1 3 239.363 0.866 20 30 BCEDHO C#CCOCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000931479875 640228531 /nfs/dbraw/zinc/22/85/31/640228531.db2.gz FIFGTCAUHDTWDP-UHFFFAOYSA-N 1 3 240.347 0.025 20 30 BCEDHO C#CCC1(NC[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000933301960 640702022 /nfs/dbraw/zinc/70/20/22/640702022.db2.gz CMLYZNQEDMFDDM-ZDUSSCGKSA-N 1 3 236.359 0.979 20 30 BCEDHO CC[C@@H](CNC(=[NH2+])N(C)C)N1CCCC1 ZINC000170912872 640938283 /nfs/dbraw/zinc/93/82/83/640938283.db2.gz JYHXAHZVSOBBSH-JTQLQIEISA-N 1 3 212.341 0.737 20 30 BCEDHO CN(C(=[NH2+])NCCNC(C)(C)C)C1CC1 ZINC000305801731 642700195 /nfs/dbraw/zinc/70/01/95/642700195.db2.gz DMGJGKPUYKYHAO-UHFFFAOYSA-N 1 3 212.341 0.783 20 30 BCEDHO C[NH+]1CCC(CN2CCN(CC#N)CC2)CC1 ZINC000115816316 643017490 /nfs/dbraw/zinc/01/74/90/643017490.db2.gz NGSHBPMHWYPQIN-UHFFFAOYSA-N 1 3 236.363 0.469 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001020585292 643221145 /nfs/dbraw/zinc/22/11/45/643221145.db2.gz PQBJXZFCUSSRID-AVGNSLFASA-N 1 3 249.358 0.341 20 30 BCEDHO C=CCC[C@H](O)CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000923291798 644328804 /nfs/dbraw/zinc/32/88/04/644328804.db2.gz UONHXDFCHAHXDA-GRYCIOLGSA-N 1 3 212.337 0.983 20 30 BCEDHO C=CCC[C@@H](O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331769 644359916 /nfs/dbraw/zinc/35/99/16/644359916.db2.gz ICOQCNZZCFCRBG-OLZOCXBDSA-N 1 3 224.348 0.999 20 30 BCEDHO C=CCN1CC[C@@H](N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1=O ZINC000923518259 644482849 /nfs/dbraw/zinc/48/28/49/644482849.db2.gz BWCZXLLBFHOFAJ-YNEHKIRRSA-N 1 3 249.358 0.315 20 30 BCEDHO C=CCCN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878490587 645814959 /nfs/dbraw/zinc/81/49/59/645814959.db2.gz OPEOVQLTJCOQAU-UHFFFAOYSA-N 1 3 239.363 0.705 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)[C@H]1C ZINC001074561548 711443739 /nfs/dbraw/zinc/44/37/39/711443739.db2.gz DJIZUAYTSOBQFH-RWMBFGLXSA-N 1 3 249.358 0.293 20 30 BCEDHO C#CCN1C[C@@H](C)[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001080940993 712353906 /nfs/dbraw/zinc/35/39/06/712353906.db2.gz RBNFLJXWSRTUBX-CHWSQXEVSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001080940993 712353907 /nfs/dbraw/zinc/35/39/07/712353907.db2.gz RBNFLJXWSRTUBX-CHWSQXEVSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CN2CCCC2)C1 ZINC001080940993 712353909 /nfs/dbraw/zinc/35/39/09/712353909.db2.gz RBNFLJXWSRTUBX-CHWSQXEVSA-N 1 3 249.358 0.152 20 30 BCEDHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H](N)CCCCC#N ZINC000602573444 349623385 /nfs/dbraw/zinc/62/33/85/349623385.db2.gz JRHLPXMGKZZUPD-GARJFASQSA-N 1 3 238.335 0.264 20 30 BCEDHO N#CCC1(C[NH2+]C[C@@H](O)CN2CCCC2)CC1 ZINC000600735161 344365160 /nfs/dbraw/zinc/36/51/60/344365160.db2.gz KEVMNJVCJUGMID-GFCCVEGCSA-N 1 3 237.347 0.727 20 30 BCEDHO N#CCCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000600737306 344365533 /nfs/dbraw/zinc/36/55/33/344365533.db2.gz VSSHVZOHHZLGIL-NSHDSACASA-N 1 3 211.309 0.336 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000237182523 344658563 /nfs/dbraw/zinc/65/85/63/344658563.db2.gz RBPVPDHZQXQJMB-LLVKDONJSA-N 1 3 239.363 0.609 20 30 BCEDHO CC(C)CNC(=[NH2+])NCC1=CCN(C)CC1 ZINC000271797619 345806394 /nfs/dbraw/zinc/80/63/94/345806394.db2.gz KPIQQGIOCVJNPT-UHFFFAOYSA-N 1 3 224.352 0.809 20 30 BCEDHO C#C[C@H](C)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000187047238 347248246 /nfs/dbraw/zinc/24/82/46/347248246.db2.gz IDZXVIBLFATDAW-QWRGUYRKSA-N 1 3 222.336 0.397 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594403257 348047924 /nfs/dbraw/zinc/04/79/24/348047924.db2.gz OMXXOLOTCWGROF-BBBLOLIVSA-N 1 3 209.293 0.602 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000594424306 348051116 /nfs/dbraw/zinc/05/11/16/348051116.db2.gz AIPAASLKHGSHGN-GHMZBOCLSA-N 1 3 238.335 0.347 20 30 BCEDHO C[C@H]([NH3+])CCNC(=O)[C@@H](N)CCCCC#N ZINC000594426636 348052416 /nfs/dbraw/zinc/05/24/16/348052416.db2.gz QCKNUPICWOSPSG-UWVGGRQHSA-N 1 3 226.324 0.251 20 30 BCEDHO CC(C)(C[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594426646 348052988 /nfs/dbraw/zinc/05/29/88/348052988.db2.gz QGDZYIOSBBOSPD-VIFPVBQESA-N 1 3 226.324 0.251 20 30 BCEDHO CC[C@@H]([NH3+])CNC(=O)[C@H](N)CCCCC#N ZINC000594444411 348055668 /nfs/dbraw/zinc/05/56/68/348055668.db2.gz RMPJDKISRZYBLZ-NXEZZACHSA-N 1 3 226.324 0.251 20 30 BCEDHO C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594444284 348055672 /nfs/dbraw/zinc/05/56/72/348055672.db2.gz NVFKRFIMUDRRLQ-GUBZILKMSA-N 1 3 226.324 0.250 20 30 BCEDHO COC[C@@H](C)NC(=[NH2+])NCC1=CCN(C)CC1 ZINC000271815977 351439192 /nfs/dbraw/zinc/43/91/92/351439192.db2.gz OCFTVYRYXMIBJM-SNVBAGLBSA-N 1 3 240.351 0.188 20 30 BCEDHO C=CCNC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000069724272 166367002 /nfs/dbraw/zinc/36/70/02/166367002.db2.gz VGEOCPKKDGYPPP-NSHDSACASA-N 1 3 225.336 0.349 20 30 BCEDHO C=CCN1CCC(NC(=O)CC[NH2+]C)CC1 ZINC000285743085 353550271 /nfs/dbraw/zinc/55/02/71/353550271.db2.gz IAWMLIYNWANPNR-UHFFFAOYSA-N 1 3 225.336 0.363 20 30 BCEDHO CC(C#N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000134882424 358809953 /nfs/dbraw/zinc/80/99/53/358809953.db2.gz CLGIZVANVVTUBE-SNVBAGLBSA-N 1 3 223.320 0.994 20 30 BCEDHO CC[NH+]1CCC(NCCn2cnc(C#N)n2)CC1 ZINC000353976163 358906090 /nfs/dbraw/zinc/90/60/90/358906090.db2.gz WRWIELWBTKSHPW-UHFFFAOYSA-N 1 3 248.334 0.224 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092005198 360144472 /nfs/dbraw/zinc/14/44/72/360144472.db2.gz SNEBFPXHLULMCU-AXFHLTTASA-N 1 3 221.304 0.841 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092005198 360144475 /nfs/dbraw/zinc/14/44/75/360144475.db2.gz SNEBFPXHLULMCU-AXFHLTTASA-N 1 3 221.304 0.841 20 30 BCEDHO N#Cc1ncn(CCN[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000573386242 364820301 /nfs/dbraw/zinc/82/03/01/364820301.db2.gz XBICZXMXXXCWTK-ZJUUUORDSA-N 1 3 234.307 0.009 20 30 BCEDHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442798653 192993203 /nfs/dbraw/zinc/99/32/03/192993203.db2.gz YPWUSWYECVBXJL-VXGBXAGGSA-N 1 3 237.347 0.725 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444175351 193040084 /nfs/dbraw/zinc/04/00/84/193040084.db2.gz ZSWXZBJLQSKTSM-LLVKDONJSA-N 1 3 223.320 0.115 20 30 BCEDHO C#CCN(C)CCC[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000382830853 367561666 /nfs/dbraw/zinc/56/16/66/367561666.db2.gz IFWXYHDOXYHBTQ-KGLIPLIRSA-N 1 3 237.391 0.871 20 30 BCEDHO N#Cc1ccc(CNCCCN2CC[NH2+]CC2)o1 ZINC000600770392 369566282 /nfs/dbraw/zinc/56/62/82/369566282.db2.gz YELBSSSTISURCA-UHFFFAOYSA-N 1 3 248.330 0.536 20 30 BCEDHO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@H](N)CCCC#N ZINC000424192472 206035843 /nfs/dbraw/zinc/03/58/43/206035843.db2.gz IXWYVGGYXJDAKW-NXEZZACHSA-N 1 3 240.351 0.497 20 30 BCEDHO CC(C)(C)[NH2+]CCNC(=O)[C@H](N)CCCC#N ZINC000572599069 383996548 /nfs/dbraw/zinc/99/65/48/383996548.db2.gz MLNPWZONIHBONZ-SNVBAGLBSA-N 1 3 240.351 0.512 20 30 BCEDHO CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000250482700 385021402 /nfs/dbraw/zinc/02/14/02/385021402.db2.gz CWWVZYOWXCXJLS-MNOVXSKESA-N 1 3 223.320 0.993 20 30 BCEDHO CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000250482700 385021410 /nfs/dbraw/zinc/02/14/10/385021410.db2.gz CWWVZYOWXCXJLS-MNOVXSKESA-N 1 3 223.320 0.993 20 30 BCEDHO CC(C)[N@@H+]1CC[C@H](CNC(=O)C(C)C#N)C1 ZINC000250482697 385022205 /nfs/dbraw/zinc/02/22/05/385022205.db2.gz CWWVZYOWXCXJLS-GHMZBOCLSA-N 1 3 223.320 0.993 20 30 BCEDHO CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)C#N)C1 ZINC000250482697 385022210 /nfs/dbraw/zinc/02/22/10/385022210.db2.gz CWWVZYOWXCXJLS-GHMZBOCLSA-N 1 3 223.320 0.993 20 30 BCEDHO C=C(CC)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000313487467 387389854 /nfs/dbraw/zinc/38/98/54/387389854.db2.gz DQIAOYRNVROEPF-LBPRGKRZSA-N 1 3 212.337 0.999 20 30 BCEDHO N#CCCC[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000424074747 387478320 /nfs/dbraw/zinc/47/83/20/387478320.db2.gz HVRJFBXBWAWDKD-SNVBAGLBSA-N 1 3 238.335 0.395 20 30 BCEDHO C[NH+](C)CCCNC(=O)[C@@H](N)CCCC#N ZINC000424138186 387672289 /nfs/dbraw/zinc/67/22/89/387672289.db2.gz PUSSITSDRMZQHZ-JTQLQIEISA-N 1 3 226.324 0.075 20 30 BCEDHO C[C@@H]1NCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1C ZINC000424151030 387793248 /nfs/dbraw/zinc/79/32/48/387793248.db2.gz FESXIBHVRFNBDP-GARJFASQSA-N 1 3 238.335 0.216 20 30 BCEDHO C[C@@H](CC[NH+](C)C)NC(=O)[C@H](N)CCCC#N ZINC000424152575 387799409 /nfs/dbraw/zinc/79/94/09/387799409.db2.gz INKWNXIAJGKYOV-WDEREUQCSA-N 1 3 240.351 0.464 20 30 BCEDHO C[C@@H](CNC(=O)[C@H](N)CCCC#N)[NH+](C)C ZINC000424152130 387800787 /nfs/dbraw/zinc/80/07/87/387800787.db2.gz IKQYJYQOQMCXGH-VHSXEESVSA-N 1 3 226.324 0.074 20 30 BCEDHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)CN1 ZINC000424156351 387823155 /nfs/dbraw/zinc/82/31/55/387823155.db2.gz OYXXVKVOLCRIHQ-MXWKQRLJSA-N 1 3 238.335 0.216 20 30 BCEDHO C[C@@H]1C[C@H](NCCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000353978870 387837001 /nfs/dbraw/zinc/83/70/01/387837001.db2.gz OGQWYPPVMJVPHE-GHMZBOCLSA-N 1 3 248.334 0.222 20 30 BCEDHO C[C@@H]1C[C@H](NCCn2cnc(C#N)n2)CC[N@H+]1C ZINC000353978870 387837003 /nfs/dbraw/zinc/83/70/03/387837003.db2.gz OGQWYPPVMJVPHE-GHMZBOCLSA-N 1 3 248.334 0.222 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044828083 387945066 /nfs/dbraw/zinc/94/50/66/387945066.db2.gz IXBPGSINFCQQKJ-UWVGGRQHSA-N 1 3 209.293 0.604 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000044828083 387945070 /nfs/dbraw/zinc/94/50/70/387945070.db2.gz IXBPGSINFCQQKJ-UWVGGRQHSA-N 1 3 209.293 0.604 20 30 BCEDHO C=CCn1cc(CN[C@H](C)CCC[NH3+])nn1 ZINC000424386768 388001448 /nfs/dbraw/zinc/00/14/48/388001448.db2.gz XWYVOXXOAKZEAE-SNVBAGLBSA-N 1 3 223.324 0.681 20 30 BCEDHO C#CCNC(=O)CCN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000491439813 388294629 /nfs/dbraw/zinc/29/46/29/388294629.db2.gz LYUGZHOARGBCFZ-CQSZACIVSA-N 1 3 249.358 0.154 20 30 BCEDHO C#CCNC(=O)CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000491439813 388294631 /nfs/dbraw/zinc/29/46/31/388294631.db2.gz LYUGZHOARGBCFZ-CQSZACIVSA-N 1 3 249.358 0.154 20 30 BCEDHO CN(C)CCOc1ccccc1CNC(N)=[NH2+] ZINC000303269216 134233345 /nfs/dbraw/zinc/23/33/45/134233345.db2.gz ZXIQUDIFNJKOBH-UHFFFAOYSA-N 1 3 236.319 0.400 20 30 BCEDHO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)C#N ZINC000227633583 134389206 /nfs/dbraw/zinc/38/92/06/134389206.db2.gz UDERGALEDBDLAI-UWVGGRQHSA-N 1 3 211.309 0.993 20 30 BCEDHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)C#N ZINC000227633583 134389207 /nfs/dbraw/zinc/38/92/07/134389207.db2.gz UDERGALEDBDLAI-UWVGGRQHSA-N 1 3 211.309 0.993 20 30 BCEDHO C[NH+]=C(NC[C@H]1CCN(C)C1)N1CCCC1 ZINC000262193339 135285711 /nfs/dbraw/zinc/28/57/11/135285711.db2.gz ZARBEZJWRGZJGI-LLVKDONJSA-N 1 3 224.352 0.609 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCC(F)F ZINC000262501242 135302941 /nfs/dbraw/zinc/30/29/41/135302941.db2.gz ZDQVFMLGMIGYJG-MRVPVSSYSA-N 1 3 234.294 0.640 20 30 BCEDHO C#CCNC(=O)CCN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491674943 398059724 /nfs/dbraw/zinc/05/97/24/398059724.db2.gz STSJQYNQWMGPBW-NEPJUHHUSA-N 1 3 237.347 0.198 20 30 BCEDHO C#CCNC(=O)CCN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000491674943 398059726 /nfs/dbraw/zinc/05/97/26/398059726.db2.gz STSJQYNQWMGPBW-NEPJUHHUSA-N 1 3 237.347 0.198 20 30 BCEDHO C=CCNC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000069724268 166365015 /nfs/dbraw/zinc/36/50/15/166365015.db2.gz VGEOCPKKDGYPPP-LLVKDONJSA-N 1 3 225.336 0.349 20 30 BCEDHO C=CCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000078802658 166374941 /nfs/dbraw/zinc/37/49/41/166374941.db2.gz QIAFYPFSCINFGY-UHFFFAOYSA-N 1 3 242.367 0.307 20 30 BCEDHO CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)C#N ZINC000488163292 528034894 /nfs/dbraw/zinc/03/48/94/528034894.db2.gz FEEYMWRKVNQYLS-WDEREUQCSA-N 1 3 241.335 0.619 20 30 BCEDHO C=C(C[NH+](C)C)C(=O)N1CCN[C@@H](C(C)C)C1 ZINC000856489349 588873878 /nfs/dbraw/zinc/87/38/78/588873878.db2.gz MNSQQTHULNFWNE-GFCCVEGCSA-N 1 3 239.363 0.561 20 30 BCEDHO C[NH+]1CCC(C[NH2+][C@@H]2CCCN([O-])C2=O)CC1 ZINC000895197096 583623190 /nfs/dbraw/zinc/62/31/90/583623190.db2.gz PDINTSBQEHFMBY-LLVKDONJSA-N 1 3 241.335 0.298 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)N1CCNC(C)(C)C1 ZINC000900938165 584367434 /nfs/dbraw/zinc/36/74/34/584367434.db2.gz OYIYYVJXRIOZIB-UHFFFAOYSA-N 1 3 239.363 0.705 20 30 BCEDHO C=CCNC(=[NH2+])NCCN1CC[C@@H](C)C1 ZINC000849004777 588432114 /nfs/dbraw/zinc/43/21/14/588432114.db2.gz ZBQDJFWILHCHRN-SNVBAGLBSA-N 1 3 210.325 0.628 20 30 BCEDHO C[NH+]=C(NC[C@H]1CCCN(C)C1)NC1CC1 ZINC000849005597 588432432 /nfs/dbraw/zinc/43/24/32/588432432.db2.gz ZQIBXWWHDQMCQT-SNVBAGLBSA-N 1 3 224.352 0.656 20 30 BCEDHO CN1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858586 588708891 /nfs/dbraw/zinc/70/88/91/588708891.db2.gz FBTFNJOWEGAMKC-ZDUSSCGKSA-N 1 3 249.358 0.057 20 30 BCEDHO C[N@H+]1CCC(=Nn2cnnc2)CC1(C)C ZINC000863062561 589253615 /nfs/dbraw/zinc/25/36/15/589253615.db2.gz DVZQBRBKVRAYRK-UHFFFAOYSA-N 1 3 207.281 0.986 20 30 BCEDHO C[N@@H+]1CCC(=Nn2cnnc2)CC1(C)C ZINC000863062561 589253614 /nfs/dbraw/zinc/25/36/14/589253614.db2.gz DVZQBRBKVRAYRK-UHFFFAOYSA-N 1 3 207.281 0.986 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000876522000 590207374 /nfs/dbraw/zinc/20/73/74/590207374.db2.gz DMINWLAUHCOBTF-SECBINFHSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000876504645 590204174 /nfs/dbraw/zinc/20/41/74/590204174.db2.gz RQXNCGWVGKMNNK-BDAKNGLRSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000876514787 590206306 /nfs/dbraw/zinc/20/63/06/590206306.db2.gz ZKOZMCGYQKBLAC-ZJUUUORDSA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876521939 590207467 /nfs/dbraw/zinc/20/74/67/590207467.db2.gz BZUWEYSGRPTNFY-IUCAKERBSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000876526651 590208670 /nfs/dbraw/zinc/20/86/70/590208670.db2.gz ZKNQYAAKJQQFIV-ZJUUUORDSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000876529465 590209629 /nfs/dbraw/zinc/20/96/29/590209629.db2.gz DJDQOYCALNVHAM-SECBINFHSA-N 1 3 245.754 0.844 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000876529079 590209735 /nfs/dbraw/zinc/20/97/35/590209735.db2.gz DZMOKDMMUPTJDL-KOLCDFICSA-N 1 3 245.754 0.700 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000876528921 590209884 /nfs/dbraw/zinc/20/98/84/590209884.db2.gz AXRIQPBUPABQAW-JTQLQIEISA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000876532450 590210222 /nfs/dbraw/zinc/21/02/22/590210222.db2.gz HEUYEXGVWMGLKC-ZJUUUORDSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000876534096 590210973 /nfs/dbraw/zinc/21/09/73/590210973.db2.gz OEXBRLHHUPIMIL-IUCAKERBSA-N 1 3 233.743 0.556 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000876541251 590212361 /nfs/dbraw/zinc/21/23/61/590212361.db2.gz VZZUIWJCGDLQGB-VHSXEESVSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000876794915 590239730 /nfs/dbraw/zinc/23/97/30/590239730.db2.gz BVQBSFSDFDZRRX-UTLUCORTSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000876826003 590246260 /nfs/dbraw/zinc/24/62/60/590246260.db2.gz AXFZYWYUJAWOBR-UWVGGRQHSA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000876829015 590246664 /nfs/dbraw/zinc/24/66/64/590246664.db2.gz NKXHPBVJLFCKHN-BBBLOLIVSA-N 1 3 245.754 0.842 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000876829017 590246759 /nfs/dbraw/zinc/24/67/59/590246759.db2.gz NKXHPBVJLFCKHN-UTLUCORTSA-N 1 3 245.754 0.842 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN[C@@H](C)[C@H]1C ZINC000876830913 590247392 /nfs/dbraw/zinc/24/73/92/590247392.db2.gz ALRCSZZWEIYLDK-AEJSXWLSSA-N 1 3 245.754 0.665 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000876840869 590248285 /nfs/dbraw/zinc/24/82/85/590248285.db2.gz YSGCYTZOGWMENA-ONGXEEELSA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000876840867 590248413 /nfs/dbraw/zinc/24/84/13/590248413.db2.gz YSGCYTZOGWMENA-KOLCDFICSA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H](C)[NH2+]CC ZINC000876836620 590248515 /nfs/dbraw/zinc/24/85/15/590248515.db2.gz DWGSSOXROKHPHL-BDAKNGLRSA-N 1 3 233.743 0.571 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876856396 590250245 /nfs/dbraw/zinc/25/02/45/590250245.db2.gz NSLRLUINHBIRCG-XHNCKOQMSA-N 1 3 249.717 0.273 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000876869351 590251484 /nfs/dbraw/zinc/25/14/84/590251484.db2.gz DTUBAEAYBJLOLJ-BBBLOLIVSA-N 1 3 245.754 0.700 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000876870988 590252073 /nfs/dbraw/zinc/25/20/73/590252073.db2.gz FRIQMRIZOMEILU-RKDXNWHRSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000876925748 590257940 /nfs/dbraw/zinc/25/79/40/590257940.db2.gz OINKMIBNFBGLJR-AEJSXWLSSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000876960840 590261523 /nfs/dbraw/zinc/26/15/23/590261523.db2.gz ODCNAGGJLJVCOF-NXEZZACHSA-N 1 3 247.770 0.913 20 30 BCEDHO C[C@H]([NH3+])CN(C)C(=O)[C@H](N)CCCCC#N ZINC000877104201 590284211 /nfs/dbraw/zinc/28/42/11/590284211.db2.gz FBFMGBQXXHFVLJ-VHSXEESVSA-N 1 3 226.324 0.203 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242666 590302533 /nfs/dbraw/zinc/30/25/33/590302533.db2.gz VRQZEPACWOXXHV-HRDYMLBCSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCN(C)[C@@H]1C ZINC000928427604 635906000 /nfs/dbraw/zinc/90/60/00/635906000.db2.gz KDWZSCIJTADEMA-NEPJUHHUSA-N 1 3 239.363 0.703 20 30 BCEDHO CN(C)C(=[NH2+])NCCN1CCCCCC1 ZINC000170913367 633178256 /nfs/dbraw/zinc/17/82/56/633178256.db2.gz TVUZBXPDLOAMQR-UHFFFAOYSA-N 1 3 212.341 0.739 20 30 BCEDHO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@@H]1C ZINC000987069306 636621944 /nfs/dbraw/zinc/62/19/44/636621944.db2.gz PLYQIIPSSHUSCD-ZYHUDNBSSA-N 1 3 248.330 0.717 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987518666 636651033 /nfs/dbraw/zinc/65/10/33/636651033.db2.gz MRGLRWUBMXLZOM-OLZOCXBDSA-N 1 3 249.358 0.294 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@@H]1C ZINC000987518665 636651349 /nfs/dbraw/zinc/65/13/49/636651349.db2.gz MRGLRWUBMXLZOM-CHWSQXEVSA-N 1 3 249.358 0.294 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)NOCCN(C)C ZINC000908527979 638998194 /nfs/dbraw/zinc/99/81/94/638998194.db2.gz LUDJZMJBBDSBEF-UHFFFAOYSA-N 1 3 229.324 0.104 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713973 639739637 /nfs/dbraw/zinc/73/96/37/639739637.db2.gz NBVCXZXSSLONHK-VXGBXAGGSA-N 1 3 239.363 0.928 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911705736 639757503 /nfs/dbraw/zinc/75/75/03/639757503.db2.gz BUWZUJQXLKDASY-NEPJUHHUSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911705737 639758343 /nfs/dbraw/zinc/75/83/43/639758343.db2.gz BUWZUJQXLKDASY-NWDGAFQWSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911736602 639762306 /nfs/dbraw/zinc/76/23/06/639762306.db2.gz MQKUXZGTGICXHG-NWDGAFQWSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911769635 639793523 /nfs/dbraw/zinc/79/35/23/639793523.db2.gz WHOHALNZBCSRKW-VXGBXAGGSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911769633 639794358 /nfs/dbraw/zinc/79/43/58/639794358.db2.gz WHOHALNZBCSRKW-NWDGAFQWSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000911775326 639795593 /nfs/dbraw/zinc/79/55/93/639795593.db2.gz RHIHWIYQNFIQPW-VXGBXAGGSA-N 1 3 239.363 0.738 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787833 639805921 /nfs/dbraw/zinc/80/59/21/639805921.db2.gz WIXXKAHOYBIOLP-GFCCVEGCSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC000911811399 639832677 /nfs/dbraw/zinc/83/26/77/639832677.db2.gz ACRSGJBIAGDUGX-NXEZZACHSA-N 1 3 213.325 0.476 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000911827134 639839795 /nfs/dbraw/zinc/83/97/95/639839795.db2.gz SQTVIMSSSDVVBE-MNOVXSKESA-N 1 3 227.352 0.770 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000911869332 639853505 /nfs/dbraw/zinc/85/35/05/639853505.db2.gz UZOAZEJTIZSTHN-VXGBXAGGSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCCC[C@@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000911846485 639857000 /nfs/dbraw/zinc/85/70/00/639857000.db2.gz HGPQKCGQVUTGAF-LLVKDONJSA-N 1 3 239.363 0.880 20 30 BCEDHO C[C@@H](CNC(=[NH2+])N(C)C)N1CCC[C@@H](C)C1 ZINC000170913292 640938645 /nfs/dbraw/zinc/93/86/45/640938645.db2.gz VOOLKOGVMWIIME-MNOVXSKESA-N 1 3 226.368 0.983 20 30 BCEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000962560785 642731885 /nfs/dbraw/zinc/73/18/85/642731885.db2.gz WYRVHMOFZSXCOG-WUHRBBMRSA-N 1 3 249.358 0.171 20 30 BCEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000962560785 642731887 /nfs/dbraw/zinc/73/18/87/642731887.db2.gz WYRVHMOFZSXCOG-WUHRBBMRSA-N 1 3 249.358 0.171 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC000968903962 642821880 /nfs/dbraw/zinc/82/18/80/642821880.db2.gz CUDGRNDPEQDYDU-GFCCVEGCSA-N 1 3 249.358 0.294 20 30 BCEDHO C#CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016248624 642954245 /nfs/dbraw/zinc/95/42/45/642954245.db2.gz CGUAALGCDRLMSR-QWHCGFSZSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CCCN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016248624 642954250 /nfs/dbraw/zinc/95/42/50/642954250.db2.gz CGUAALGCDRLMSR-QWHCGFSZSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001018965304 643015137 /nfs/dbraw/zinc/01/51/37/643015137.db2.gz ZNJDGROTHRHMBY-STQMWFEESA-N 1 3 249.358 0.150 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CCC[C@H]2C)C1 ZINC001020585293 643220454 /nfs/dbraw/zinc/22/04/54/643220454.db2.gz PQBJXZFCUSSRID-JHJVBQTASA-N 1 3 249.358 0.341 20 30 BCEDHO C#CCCN1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186768 643282230 /nfs/dbraw/zinc/28/22/30/643282230.db2.gz WHGMBMHPLKDNCC-CYBMUJFWSA-N 1 3 249.358 0.009 20 30 BCEDHO C#CCCN1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186768 643282237 /nfs/dbraw/zinc/28/22/37/643282237.db2.gz WHGMBMHPLKDNCC-CYBMUJFWSA-N 1 3 249.358 0.009 20 30 BCEDHO C=CCC[C@H](O)CN(C)C1CC[NH2+]CC1 ZINC000923280005 644310701 /nfs/dbraw/zinc/31/07/01/644310701.db2.gz WCVQTTBMJXNANU-LBPRGKRZSA-N 1 3 212.337 0.997 20 30 BCEDHO C=CCC[C@H](O)C[N@@H+](C)C1CCNCC1 ZINC000923280005 644310704 /nfs/dbraw/zinc/31/07/04/644310704.db2.gz WCVQTTBMJXNANU-LBPRGKRZSA-N 1 3 212.337 0.997 20 30 BCEDHO C=CCC[C@H](O)C[N@H+](C)C1CCNCC1 ZINC000923280005 644310709 /nfs/dbraw/zinc/31/07/09/644310709.db2.gz WCVQTTBMJXNANU-LBPRGKRZSA-N 1 3 212.337 0.997 20 30 BCEDHO C=CCC[C@@H](O)CN1CC[C@H](C[NH2+]C)C1 ZINC000923286008 644320777 /nfs/dbraw/zinc/32/07/77/644320777.db2.gz KXMYHMPSHICNBP-VXGBXAGGSA-N 1 3 212.337 0.855 20 30 BCEDHO C=CCC[C@H](O)CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000923291811 644330462 /nfs/dbraw/zinc/33/04/62/644330462.db2.gz UONHXDFCHAHXDA-WOPDTQHZSA-N 1 3 212.337 0.983 20 30 BCEDHO CCOCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000303785693 644846373 /nfs/dbraw/zinc/84/63/73/644846373.db2.gz QOLORMYRZWEWFU-NSHDSACASA-N 1 3 242.367 0.412 20 30 BCEDHO C[NH2+]CCN(C)C(=O)[C@H](N)CCCCC#N ZINC000709492470 712222980 /nfs/dbraw/zinc/22/29/80/712222980.db2.gz AGFSANTZDITARJ-SNVBAGLBSA-N 1 3 226.324 0.075 20 30 BCEDHO C=CC[C@@H](C)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000714996636 712503503 /nfs/dbraw/zinc/50/35/03/712503503.db2.gz SKBGLRUBSFSQRK-CHWSQXEVSA-N 1 3 223.364 0.931 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@H]1C ZINC000876796311 712629706 /nfs/dbraw/zinc/62/97/06/712629706.db2.gz KFLLCEWLXIHVSO-BBBLOLIVSA-N 1 3 245.754 0.665 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000602172805 349459445 /nfs/dbraw/zinc/45/94/45/349459445.db2.gz PXFNJDMTWPUHTA-OPRDCNLKSA-N 1 3 223.320 0.991 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000602172806 349459503 /nfs/dbraw/zinc/45/95/03/349459503.db2.gz PXFNJDMTWPUHTA-UTLUCORTSA-N 1 3 223.320 0.991 20 30 BCEDHO CC(C#N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000044809433 344548901 /nfs/dbraw/zinc/54/89/01/344548901.db2.gz VONPZCOPRYOEDS-SECBINFHSA-N 1 3 211.309 0.850 20 30 BCEDHO N#C[C@@H]1CC[C@H](N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000378867411 345688006 /nfs/dbraw/zinc/68/80/06/345688006.db2.gz FCWQDBXPCUQQPR-WYUUTHIRSA-N 1 3 205.305 0.830 20 30 BCEDHO C=CCNC(=O)[C@H](C)N1CCC(CC[NH3+])CC1 ZINC000070188108 349965688 /nfs/dbraw/zinc/96/56/88/349965688.db2.gz BCNSBUOIXJYYKS-NSHDSACASA-N 1 3 239.363 0.738 20 30 BCEDHO C[N@@H+]1CC[C@](O)(CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309553803 347099615 /nfs/dbraw/zinc/09/96/15/347099615.db2.gz JBFHXLYYSRFDEK-UTUOFQBUSA-N 1 3 223.320 0.335 20 30 BCEDHO C[N@H+]1CC[C@](O)(CN[C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309553803 347099617 /nfs/dbraw/zinc/09/96/17/347099617.db2.gz JBFHXLYYSRFDEK-UTUOFQBUSA-N 1 3 223.320 0.335 20 30 BCEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@H](N)C2)CC1 ZINC000594583072 348077085 /nfs/dbraw/zinc/07/70/85/348077085.db2.gz UZLWGAGPTONUDB-WCQYABFASA-N 1 3 236.363 0.834 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594403258 348048100 /nfs/dbraw/zinc/04/81/00/348048100.db2.gz OMXXOLOTCWGROF-LPEHRKFASA-N 1 3 209.293 0.602 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000594426366 348052247 /nfs/dbraw/zinc/05/22/47/348052247.db2.gz OPMMXQXXYXDNBC-LLVKDONJSA-N 1 3 238.335 0.266 20 30 BCEDHO C[C@@H](CC[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594438083 348053474 /nfs/dbraw/zinc/05/34/74/348053474.db2.gz GCMYDHQXDYABDQ-VHSXEESVSA-N 1 3 226.324 0.251 20 30 BCEDHO C[C@H](C[NH3+])CNC(=O)[C@H](N)CCCCC#N ZINC000594438221 348054224 /nfs/dbraw/zinc/05/42/24/348054224.db2.gz HWVKUVIAZXZURE-NXEZZACHSA-N 1 3 226.324 0.109 20 30 BCEDHO C[NH2+]C[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000595984297 348418392 /nfs/dbraw/zinc/41/83/92/348418392.db2.gz RDZYEOASRNECEO-UWVGGRQHSA-N 1 3 226.324 0.122 20 30 BCEDHO C[C@@]1(NC(=O)[C@H](N)CCCCC#N)CC[NH2+]C1 ZINC000595987761 348419924 /nfs/dbraw/zinc/41/99/24/348419924.db2.gz WUYVJLXPDAYJNZ-ZYHUDNBSSA-N 1 3 238.335 0.266 20 30 BCEDHO CC(C#N)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000597573730 348762355 /nfs/dbraw/zinc/76/23/55/348762355.db2.gz HXZVCCLQUBHREO-CMPLNLGQSA-N 1 3 239.319 0.061 20 30 BCEDHO COC[C@H](C)NC(=[NH2+])NCC1=CCN(C)CC1 ZINC000271815973 351439100 /nfs/dbraw/zinc/43/91/00/351439100.db2.gz OCFTVYRYXMIBJM-JTQLQIEISA-N 1 3 240.351 0.188 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000192111183 353542701 /nfs/dbraw/zinc/54/27/01/353542701.db2.gz DYGFJEVTXSWUFO-WDEREUQCSA-N 1 3 239.363 0.736 20 30 BCEDHO CC[NH+](CC)[C@H](C)CNC(=O)C(C)C#N ZINC000345816991 354785532 /nfs/dbraw/zinc/78/55/32/354785532.db2.gz ONZJJSQSIHQRNG-NXEZZACHSA-N 1 3 211.309 0.993 20 30 BCEDHO C=CCN1CC[C@H](N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000420309979 192211302 /nfs/dbraw/zinc/21/13/02/192211302.db2.gz PFGZGZHMRMANRS-RVMXOQNASA-N 1 3 249.358 0.442 20 30 BCEDHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@@H](N)CCCC#N ZINC000424080062 200856857 /nfs/dbraw/zinc/85/68/57/200856857.db2.gz SCOVIZCVHBYEIZ-JQWIXIFHSA-N 1 3 240.351 0.497 20 30 BCEDHO C=CC[C@H]1CC[N@H+](CCN2CCNCC2)C1 ZINC000629547816 361432102 /nfs/dbraw/zinc/43/21/02/361432102.db2.gz GAIHYFRGYDTSHR-ZDUSSCGKSA-N 1 3 223.364 0.790 20 30 BCEDHO C=CC[C@H]1CC[N@@H+](CCN2CCNCC2)C1 ZINC000629547816 361432104 /nfs/dbraw/zinc/43/21/04/361432104.db2.gz GAIHYFRGYDTSHR-ZDUSSCGKSA-N 1 3 223.364 0.790 20 30 BCEDHO C=CC[C@@H](CO)CNC[C@H](O)C[NH+]1CCCC1 ZINC000629584815 361473629 /nfs/dbraw/zinc/47/36/29/361473629.db2.gz URAAAOPXXPLHOX-OLZOCXBDSA-N 1 3 242.363 0.217 20 30 BCEDHO C=CC[C@@H](CO)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629584814 361473800 /nfs/dbraw/zinc/47/38/00/361473800.db2.gz URAAAOPXXPLHOX-CHWSQXEVSA-N 1 3 242.363 0.217 20 30 BCEDHO C=C(C)COCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000163793329 384617030 /nfs/dbraw/zinc/61/70/30/384617030.db2.gz SDLMTXRSEYFOBS-CYBMUJFWSA-N 1 3 242.363 0.625 20 30 BCEDHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C)C#N ZINC000309104770 385424331 /nfs/dbraw/zinc/42/43/31/385424331.db2.gz LJGCYTKSZZOMLN-NXEZZACHSA-N 1 3 211.309 0.991 20 30 BCEDHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)C#N ZINC000309104770 385424334 /nfs/dbraw/zinc/42/43/34/385424334.db2.gz LJGCYTKSZZOMLN-NXEZZACHSA-N 1 3 211.309 0.991 20 30 BCEDHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H](N)CCCCC#N ZINC000594449418 385601650 /nfs/dbraw/zinc/60/16/50/385601650.db2.gz IWRZHLUBOBNIHO-GARJFASQSA-N 1 3 240.351 0.640 20 30 BCEDHO C[C@@H](CNC(=O)[C@H](N)CCCCC#N)[NH+](C)C ZINC000594440473 385601666 /nfs/dbraw/zinc/60/16/66/385601666.db2.gz CWCKSYYDABMLDX-WDEREUQCSA-N 1 3 240.351 0.464 20 30 BCEDHO CC(C#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000347076508 386217608 /nfs/dbraw/zinc/21/76/08/386217608.db2.gz SVNDKIQDAOWVHD-WCBMZHEXSA-N 1 3 209.293 0.602 20 30 BCEDHO CC(C)[C@](C)(C[NH3+])NC(=O)[C@H](N)CCCC#N ZINC000424080063 387481087 /nfs/dbraw/zinc/48/10/87/387481087.db2.gz SCOVIZCVHBYEIZ-PWSUYJOCSA-N 1 3 240.351 0.497 20 30 BCEDHO CC(C)C[C@H](C[NH3+])NC(=O)[C@@H](N)CCCC#N ZINC000424080691 387482046 /nfs/dbraw/zinc/48/20/46/387482046.db2.gz TYHPVDLZOIGTLL-MNOVXSKESA-N 1 3 240.351 0.497 20 30 BCEDHO CN(CC(C)(C)C[NH3+])C(=O)[C@H](N)CCCC#N ZINC000424080921 387482506 /nfs/dbraw/zinc/48/25/06/387482506.db2.gz UIPGDXGPFXWEPI-SNVBAGLBSA-N 1 3 240.351 0.451 20 30 BCEDHO CN1CCC(O)(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442798369 387844498 /nfs/dbraw/zinc/84/44/98/387844498.db2.gz YPWUSWYECVBXJL-NWDGAFQWSA-N 1 3 237.347 0.725 20 30 BCEDHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424164606 387848796 /nfs/dbraw/zinc/84/87/96/387848796.db2.gz XFBMCKSYJXTPLK-HBNTYKKESA-N 1 3 238.335 0.264 20 30 BCEDHO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000250267708 135051848 /nfs/dbraw/zinc/05/18/48/135051848.db2.gz KSCJGMDDRFMTLA-ZJUUUORDSA-N 1 3 209.293 0.604 20 30 BCEDHO CC[N@H+]1CC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000250267708 135051850 /nfs/dbraw/zinc/05/18/50/135051850.db2.gz KSCJGMDDRFMTLA-ZJUUUORDSA-N 1 3 209.293 0.604 20 30 BCEDHO N#CCCNCCCC[N@H+]1CCC[C@@H]1CO ZINC000516771068 388516967 /nfs/dbraw/zinc/51/69/67/388516967.db2.gz YGQHSYQZXFQDMC-GFCCVEGCSA-N 1 3 225.336 0.727 20 30 BCEDHO N#CCCNCCCC[N@@H+]1CCC[C@@H]1CO ZINC000516771068 388516971 /nfs/dbraw/zinc/51/69/71/388516971.db2.gz YGQHSYQZXFQDMC-GFCCVEGCSA-N 1 3 225.336 0.727 20 30 BCEDHO C=C(C)CNC(=[NH2+])NCCCN(C)CCOC ZINC000264103912 135133148 /nfs/dbraw/zinc/13/31/48/135133148.db2.gz OWQLBSNNJNHMIY-UHFFFAOYSA-N 1 3 242.367 0.435 20 30 BCEDHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)C#N)C1 ZINC000347758857 136011886 /nfs/dbraw/zinc/01/18/86/136011886.db2.gz YYEOAHHIVYTSLJ-GHMZBOCLSA-N 1 3 223.320 0.946 20 30 BCEDHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)C#N)C1 ZINC000347758857 136011887 /nfs/dbraw/zinc/01/18/87/136011887.db2.gz YYEOAHHIVYTSLJ-GHMZBOCLSA-N 1 3 223.320 0.946 20 30 BCEDHO CCC[NH2+]CCNC(=O)[C@H](N)CCCCC#N ZINC000594438208 397974026 /nfs/dbraw/zinc/97/40/26/397974026.db2.gz HSVBXPPIQFKCCJ-LLVKDONJSA-N 1 3 240.351 0.513 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000594439558 397974400 /nfs/dbraw/zinc/97/44/00/397974400.db2.gz SAMIXZULPKRGKJ-JTQLQIEISA-N 1 3 238.335 0.395 20 30 BCEDHO C=CCNC(=O)[C@@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000104140801 166381942 /nfs/dbraw/zinc/38/19/42/166381942.db2.gz MHAXIDACOYIMPB-GHMZBOCLSA-N 1 3 239.363 0.736 20 30 BCEDHO C[C@H]1C[C@@H](NCCn2cnc(C#N)n2)CC[N@@H+]1C ZINC000353978872 177331834 /nfs/dbraw/zinc/33/18/34/177331834.db2.gz OGQWYPPVMJVPHE-QWRGUYRKSA-N 1 3 248.334 0.222 20 30 BCEDHO C[C@H]1C[C@@H](NCCn2cnc(C#N)n2)CC[N@H+]1C ZINC000353978872 177331836 /nfs/dbraw/zinc/33/18/36/177331836.db2.gz OGQWYPPVMJVPHE-QWRGUYRKSA-N 1 3 248.334 0.222 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000876710396 590232481 /nfs/dbraw/zinc/23/24/81/590232481.db2.gz JWUBUVXQSAUHOV-VIFPVBQESA-N 1 3 247.770 0.913 20 30 BCEDHO C=CCNC(=[NH2+])NCC1=CCN(C)CC1 ZINC000263176796 534845442 /nfs/dbraw/zinc/84/54/42/534845442.db2.gz UCOXPSLDQZVITH-UHFFFAOYSA-N 1 3 208.309 0.339 20 30 BCEDHO CCNC(NCC1=CCN(C)CC1)=[NH+]CC ZINC000271846551 535786085 /nfs/dbraw/zinc/78/60/85/535786085.db2.gz VCTOXVDVZUHQDI-UHFFFAOYSA-N 1 3 224.352 0.823 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)NCCN(C)C ZINC000899920122 584252208 /nfs/dbraw/zinc/25/22/08/584252208.db2.gz JWUHMJOECUOTPA-UHFFFAOYSA-N 1 3 213.325 0.172 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)NCCN1CCCC1 ZINC000900011177 584266034 /nfs/dbraw/zinc/26/60/34/584266034.db2.gz MQLWWWJYTUEOAV-UHFFFAOYSA-N 1 3 239.363 0.706 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCN(C)C1 ZINC000900590855 584329300 /nfs/dbraw/zinc/32/93/00/584329300.db2.gz PPEVDLUXFLNBIM-LBPRGKRZSA-N 1 3 239.363 0.705 20 30 BCEDHO C=C(C[NH+](C)C)C(=O)N1CCCN(C)CC1 ZINC000763921648 585457152 /nfs/dbraw/zinc/45/71/52/585457152.db2.gz VMXXWVVDCFLYKV-UHFFFAOYSA-N 1 3 225.336 0.268 20 30 BCEDHO C[NH+](C)[C@@H]1CCCC(=Nn2cnnc2)C1 ZINC000788408608 585922770 /nfs/dbraw/zinc/92/27/70/585922770.db2.gz MRLGXPFPCBCHJP-SNVBAGLBSA-N 1 3 207.281 0.986 20 30 BCEDHO C#CCC[N@@H+](C)CCCN(C)CCN(C)C ZINC000808781208 586489375 /nfs/dbraw/zinc/48/93/75/586489375.db2.gz AKAGDKAHTCGCPS-UHFFFAOYSA-N 1 3 225.380 0.825 20 30 BCEDHO C#CCC[N@H+](C)CCCN(C)CCN(C)C ZINC000808781208 586489377 /nfs/dbraw/zinc/48/93/77/586489377.db2.gz AKAGDKAHTCGCPS-UHFFFAOYSA-N 1 3 225.380 0.825 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000822461198 587169290 /nfs/dbraw/zinc/16/92/90/587169290.db2.gz SMVJIEOSIAMFNE-SNVBAGLBSA-N 1 3 213.325 0.171 20 30 BCEDHO C=C(C)CNC(=[NH2+])NCCNc1ccncc1 ZINC000848995387 588428806 /nfs/dbraw/zinc/42/88/06/588428806.db2.gz PXAKXRUPLAJIOT-UHFFFAOYSA-N 1 3 233.319 0.605 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@@H]1CCCN(C)C1 ZINC000849005286 588432089 /nfs/dbraw/zinc/43/20/89/588432089.db2.gz KFCRMJLEBIDKFJ-JTQLQIEISA-N 1 3 210.325 0.628 20 30 BCEDHO CNC(NCCCN1CCCO[C@@H](C)C1)=[NH+]C ZINC000849022562 588439472 /nfs/dbraw/zinc/43/94/72/588439472.db2.gz JHLUCHGJRTULSN-NSHDSACASA-N 1 3 242.367 0.282 20 30 BCEDHO C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)N(C)C ZINC000852862035 588709254 /nfs/dbraw/zinc/70/92/54/588709254.db2.gz QQLDPYROIMVPIQ-NSHDSACASA-N 1 3 237.347 0.056 20 30 BCEDHO C=C(CN(C)C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861912832 589183697 /nfs/dbraw/zinc/18/36/97/589183697.db2.gz SJBZLYPMGXXJIE-GDNZZTSVSA-N 1 3 237.347 0.123 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000120485190 589421539 /nfs/dbraw/zinc/42/15/39/589421539.db2.gz ZNMVZNNWAJVVMX-JTQLQIEISA-N 1 3 212.341 0.783 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508095 590204840 /nfs/dbraw/zinc/20/48/40/590204840.db2.gz IIWCSRALKPQOML-BDAKNGLRSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000876510729 590205411 /nfs/dbraw/zinc/20/54/11/590205411.db2.gz ZBEULKYXFDDNPI-JTQLQIEISA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@H](C)[NH3+] ZINC000876519070 590207125 /nfs/dbraw/zinc/20/71/25/590207125.db2.gz RGJUHBGRDWBMSL-JGVFFNPUSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[NH2+]CC ZINC000876521171 590207489 /nfs/dbraw/zinc/20/74/89/590207489.db2.gz IQLFAMVXSWEJJJ-MRVPVSSYSA-N 1 3 219.716 0.182 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000876524398 590208026 /nfs/dbraw/zinc/20/80/26/590208026.db2.gz PJCUKGDNKLSOBC-SSDOTTSWSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000876529415 590209635 /nfs/dbraw/zinc/20/96/35/590209635.db2.gz COGNVHMTLYZJCB-AEJSXWLSSA-N 1 3 245.754 0.665 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000876528922 590209773 /nfs/dbraw/zinc/20/97/73/590209773.db2.gz AXRIQPBUPABQAW-SNVBAGLBSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[NH+](CC)CC ZINC000876706683 590232120 /nfs/dbraw/zinc/23/21/20/590232120.db2.gz BVKHANQJBRNGCR-SNVBAGLBSA-N 1 3 247.770 0.914 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCCCC[NH+](C)C ZINC000876726246 590233315 /nfs/dbraw/zinc/23/33/15/590233315.db2.gz XDSMTQFUQBGIFA-JTQLQIEISA-N 1 3 247.770 0.914 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876792255 590241923 /nfs/dbraw/zinc/24/19/23/590241923.db2.gz VAHVVYCWPMLJEL-DTWKUNHWSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC1(C)CC[NH2+]CC1 ZINC000876835135 590247816 /nfs/dbraw/zinc/24/78/16/590247816.db2.gz XWFZMHHKWQMEQJ-SECBINFHSA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)C1(C[NH3+])CCC1 ZINC000876868006 590251724 /nfs/dbraw/zinc/25/17/24/590251724.db2.gz SROOMNHGKUXCDW-VIFPVBQESA-N 1 3 245.754 0.796 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000876870986 590251751 /nfs/dbraw/zinc/25/17/51/590251751.db2.gz FRIQMRIZOMEILU-DTWKUNHWSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000876916681 590256926 /nfs/dbraw/zinc/25/69/26/590256926.db2.gz XXJOUUYVUCMGRX-RKDXNWHRSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)C[NH2+]C ZINC000876977698 590263943 /nfs/dbraw/zinc/26/39/43/590263943.db2.gz BEVCYGJDGMJZIX-JGVFFNPUSA-N 1 3 219.716 0.180 20 30 BCEDHO C[C@@H]([NH3+])CN(C)C(=O)[C@H](N)CCCCC#N ZINC000877104199 590284103 /nfs/dbraw/zinc/28/41/03/590284103.db2.gz FBFMGBQXXHFVLJ-NXEZZACHSA-N 1 3 226.324 0.203 20 30 BCEDHO C#CC[C@H](CO)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883125602 591544494 /nfs/dbraw/zinc/54/44/94/591544494.db2.gz OEXMUTZKTQEFEV-NWDGAFQWSA-N 1 3 224.348 0.833 20 30 BCEDHO C#CC[C@H](CO)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000883125602 591544495 /nfs/dbraw/zinc/54/44/95/591544495.db2.gz OEXMUTZKTQEFEV-NWDGAFQWSA-N 1 3 224.348 0.833 20 30 BCEDHO C#CC[C@H]1CCN(C[C@H](O)C[N@@H+](C)CC)C1 ZINC000886365673 592219581 /nfs/dbraw/zinc/21/95/81/592219581.db2.gz NLERMPOECYEUIK-QWHCGFSZSA-N 1 3 224.348 0.644 20 30 BCEDHO C#CC[C@H]1CCN(C[C@H](O)C[N@H+](C)CC)C1 ZINC000886365673 592219582 /nfs/dbraw/zinc/21/95/82/592219582.db2.gz NLERMPOECYEUIK-QWHCGFSZSA-N 1 3 224.348 0.644 20 30 BCEDHO C[C@@H](C#N)OCCN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436109 634450775 /nfs/dbraw/zinc/45/07/75/634450775.db2.gz GAODGDGVGNPHNT-RWMBFGLXSA-N 1 3 237.347 0.799 20 30 BCEDHO C[C@@H](C#N)OCCN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931436109 634450780 /nfs/dbraw/zinc/45/07/80/634450780.db2.gz GAODGDGVGNPHNT-RWMBFGLXSA-N 1 3 237.347 0.799 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001022714972 631812209 /nfs/dbraw/zinc/81/22/09/631812209.db2.gz BDUVJMJHQDGDBY-UPJWGTAASA-N 1 3 249.358 0.198 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001022714971 631812534 /nfs/dbraw/zinc/81/25/34/631812534.db2.gz BDUVJMJHQDGDBY-RWMBFGLXSA-N 1 3 249.358 0.198 20 30 BCEDHO C[C@@H](C#N)OCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000310470334 632746741 /nfs/dbraw/zinc/74/67/41/632746741.db2.gz BFESOJXLANHNJE-QWHCGFSZSA-N 1 3 237.347 0.943 20 30 BCEDHO C[C@@H](C#N)OCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000310470334 632746745 /nfs/dbraw/zinc/74/67/45/632746745.db2.gz BFESOJXLANHNJE-QWHCGFSZSA-N 1 3 237.347 0.943 20 30 BCEDHO COCCN(C)CCCNC(=[NH2+])NC1CC1 ZINC000066245516 632861265 /nfs/dbraw/zinc/86/12/65/632861265.db2.gz WGNAWKXHAFFWKF-UHFFFAOYSA-N 1 3 228.340 0.021 20 30 BCEDHO C[NH+]=C(NCCNC(C)(C)C)NC1CC1 ZINC000309482970 633160853 /nfs/dbraw/zinc/16/08/53/633160853.db2.gz FFBKKZWBHIGQBN-UHFFFAOYSA-N 1 3 212.341 0.702 20 30 BCEDHO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)[C@H]1C ZINC000987069302 636622022 /nfs/dbraw/zinc/62/20/22/636622022.db2.gz PLYQIIPSSHUSCD-CMPLNLGQSA-N 1 3 248.330 0.717 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC(C[NH3+])CC1 ZINC000911671099 639696086 /nfs/dbraw/zinc/69/60/86/639696086.db2.gz WKEDXHUYDIZBFH-LBPRGKRZSA-N 1 3 239.363 0.867 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911697469 639732648 /nfs/dbraw/zinc/73/26/48/639732648.db2.gz CAFIICCSFYXJEV-NXEZZACHSA-N 1 3 211.309 0.148 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713967 639739502 /nfs/dbraw/zinc/73/95/02/639739502.db2.gz NBVCXZXSSLONHK-NEPJUHHUSA-N 1 3 239.363 0.928 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911705739 639758672 /nfs/dbraw/zinc/75/86/72/639758672.db2.gz BUWZUJQXLKDASY-VXGBXAGGSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911775325 639794819 /nfs/dbraw/zinc/79/48/19/639794819.db2.gz RHIHWIYQNFIQPW-RYUDHWBXSA-N 1 3 239.363 0.738 20 30 BCEDHO C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)N[C@@H](C)C1 ZINC000911795099 639808557 /nfs/dbraw/zinc/80/85/57/639808557.db2.gz INTJBVIJENKSBK-GRYCIOLGSA-N 1 3 239.363 0.879 20 30 BCEDHO C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)N[C@H](C)C1 ZINC000911795299 639818919 /nfs/dbraw/zinc/81/89/19/639818919.db2.gz INTJBVIJENKSBK-UTUOFQBUSA-N 1 3 239.363 0.879 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000911834831 639845925 /nfs/dbraw/zinc/84/59/25/639845925.db2.gz RXIQTOKYXUFYIJ-QWRGUYRKSA-N 1 3 225.336 0.524 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]1C[NH2+]C ZINC000911869331 639853742 /nfs/dbraw/zinc/85/37/42/639853742.db2.gz UZOAZEJTIZSTHN-RYUDHWBXSA-N 1 3 239.363 0.880 20 30 BCEDHO C#CCC1(NC[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000933301959 640702607 /nfs/dbraw/zinc/70/26/07/640702607.db2.gz CMLYZNQEDMFDDM-CYBMUJFWSA-N 1 3 236.359 0.979 20 30 BCEDHO C#CCC1(NC[C@H](O)C[N@@H+](C)C2CC2)CCC1 ZINC000933297221 642510865 /nfs/dbraw/zinc/51/08/65/642510865.db2.gz ZRKNIVHGWCVUOP-ZDUSSCGKSA-N 1 3 236.359 0.977 20 30 BCEDHO C#CCC1(NC[C@H](O)C[N@H+](C)C2CC2)CCC1 ZINC000933297221 642510872 /nfs/dbraw/zinc/51/08/72/642510872.db2.gz ZRKNIVHGWCVUOP-ZDUSSCGKSA-N 1 3 236.359 0.977 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC000969960735 643255186 /nfs/dbraw/zinc/25/51/86/643255186.db2.gz VLQAHVLQZPJDFY-QWHCGFSZSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCN2C)C1 ZINC000998554913 643712804 /nfs/dbraw/zinc/71/28/04/643712804.db2.gz BUGSADGQEZPPDX-WXRRBKDZSA-N 1 3 249.358 0.293 20 30 BCEDHO C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001000317081 643775664 /nfs/dbraw/zinc/77/56/64/643775664.db2.gz IIGKJDJYBJBIKH-LLVKDONJSA-N 1 3 248.330 0.719 20 30 BCEDHO C=CCC[C@@H](O)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923331768 644360885 /nfs/dbraw/zinc/36/08/85/644360885.db2.gz ICOQCNZZCFCRBG-CHWSQXEVSA-N 1 3 224.348 0.999 20 30 BCEDHO C=CCC[C@H](O)C[N@@H+]1CCCO[C@H](CN)C1 ZINC000923378972 644392414 /nfs/dbraw/zinc/39/24/14/644392414.db2.gz MFMHEUQWKKMUJT-NWDGAFQWSA-N 1 3 228.336 0.363 20 30 BCEDHO C=CCC[C@H](O)C[N@H+]1CCCO[C@H](CN)C1 ZINC000923378972 644392417 /nfs/dbraw/zinc/39/24/17/644392417.db2.gz MFMHEUQWKKMUJT-NWDGAFQWSA-N 1 3 228.336 0.363 20 30 BCEDHO C=CCNC(=O)CN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504002 644476061 /nfs/dbraw/zinc/47/60/61/644476061.db2.gz NTBAHZDDHCHMQL-MNOVXSKESA-N 1 3 225.336 0.205 20 30 BCEDHO C#C[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000248532989 644685701 /nfs/dbraw/zinc/68/57/01/644685701.db2.gz IDZXVIBLFATDAW-MNOVXSKESA-N 1 3 222.336 0.397 20 30 BCEDHO COCCN(C)CCCNC(=[NH2+])NC(C)C ZINC000303899264 644855513 /nfs/dbraw/zinc/85/55/13/644855513.db2.gz RMEVRAYPUNAAOV-UHFFFAOYSA-N 1 3 230.356 0.267 20 30 BCEDHO N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@@H]2N)nc1 ZINC000925892986 646535424 /nfs/dbraw/zinc/53/54/24/646535424.db2.gz JDSIQJGNYYGXCI-NWDGAFQWSA-N 1 3 245.330 0.835 20 30 BCEDHO C#CCSCCNC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000309202842 711695347 /nfs/dbraw/zinc/69/53/47/711695347.db2.gz AQKMZMPJWMKLMJ-GFCCVEGCSA-N 1 3 242.388 0.398 20 30 BCEDHO C#CCSCCNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000309202842 711695350 /nfs/dbraw/zinc/69/53/50/711695350.db2.gz AQKMZMPJWMKLMJ-GFCCVEGCSA-N 1 3 242.388 0.398 20 30 BCEDHO C[C@@H](CC(C)(C)C#N)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000705374002 712130794 /nfs/dbraw/zinc/13/07/94/712130794.db2.gz FXMDJBDOMOPKJS-AAEUAGOBSA-N 1 3 239.363 0.971 20 30 BCEDHO C[C@@H](CC(C)(C)C#N)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000705374002 712130796 /nfs/dbraw/zinc/13/07/96/712130796.db2.gz FXMDJBDOMOPKJS-AAEUAGOBSA-N 1 3 239.363 0.971 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000876796313 712629763 /nfs/dbraw/zinc/62/97/63/712629763.db2.gz KFLLCEWLXIHVSO-UTLUCORTSA-N 1 3 245.754 0.665 20 30 BCEDHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@H](N)CCCCC#N ZINC000602595614 349643991 /nfs/dbraw/zinc/64/39/91/349643991.db2.gz IYKNDSHLPIIRKA-GMTAPVOTSA-N 1 3 238.335 0.346 20 30 BCEDHO CC(C#N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062079191 136272015 /nfs/dbraw/zinc/27/20/15/136272015.db2.gz HBVKDQNCWBWFAO-QWRGUYRKSA-N 1 3 223.320 0.994 20 30 BCEDHO CC[NH+](CC)CCCNC(=O)C(C)C#N ZINC000044811016 344548907 /nfs/dbraw/zinc/54/89/07/344548907.db2.gz OHODGCCWMGYVOY-JTQLQIEISA-N 1 3 211.309 0.994 20 30 BCEDHO CC1(C)CNCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000591677850 347685291 /nfs/dbraw/zinc/68/52/91/347685291.db2.gz HANMJQAUOZRZCW-SNVBAGLBSA-N 1 3 238.335 0.218 20 30 BCEDHO N#CCCC[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591677584 347685349 /nfs/dbraw/zinc/68/53/49/347685349.db2.gz NWSDGECRGAEONP-WDEREUQCSA-N 1 3 238.335 0.266 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000594424307 348051450 /nfs/dbraw/zinc/05/14/50/348051450.db2.gz AIPAASLKHGSHGN-MNOVXSKESA-N 1 3 238.335 0.347 20 30 BCEDHO C[C@H](CC[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594437957 348053773 /nfs/dbraw/zinc/05/37/73/348053773.db2.gz GCMYDHQXDYABDQ-NXEZZACHSA-N 1 3 226.324 0.251 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000594438816 348054289 /nfs/dbraw/zinc/05/42/89/348054289.db2.gz LZOYWWCIIKVZBJ-WDEREUQCSA-N 1 3 238.335 0.251 20 30 BCEDHO C[C@@H](NC(=O)[C@@H](N)CCCCC#N)[C@H](C)[NH3+] ZINC000594444283 348055515 /nfs/dbraw/zinc/05/55/15/348055515.db2.gz NVFKRFIMUDRRLQ-AEJSXWLSSA-N 1 3 226.324 0.250 20 30 BCEDHO CC(C#N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000597989555 348851279 /nfs/dbraw/zinc/85/12/79/348851279.db2.gz GFELRSRMWMSFBK-LLVKDONJSA-N 1 3 240.351 0.146 20 30 BCEDHO CC(C#N)C(=O)N(C)CCCC[NH+](C)C ZINC000610473275 357948921 /nfs/dbraw/zinc/94/89/21/357948921.db2.gz ISMUQTTTYNOCQI-SNVBAGLBSA-N 1 3 211.309 0.946 20 30 BCEDHO CN(C)CC[NH+]1CCC(NCCC#N)CC1 ZINC000578436295 366566493 /nfs/dbraw/zinc/56/64/93/366566493.db2.gz KTAQJSDVQOHVTM-UHFFFAOYSA-N 1 3 224.352 0.516 20 30 BCEDHO C[NH+](C)CCN1CCC(NCCC#N)CC1 ZINC000578436295 366566494 /nfs/dbraw/zinc/56/64/94/366566494.db2.gz KTAQJSDVQOHVTM-UHFFFAOYSA-N 1 3 224.352 0.516 20 30 BCEDHO C=CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436057113 201308709 /nfs/dbraw/zinc/30/87/09/201308709.db2.gz UVVZPNAODJKVNM-LLVKDONJSA-N 1 3 225.336 0.492 20 30 BCEDHO C=CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436057114 201309499 /nfs/dbraw/zinc/30/94/99/201309499.db2.gz UVVZPNAODJKVNM-NSHDSACASA-N 1 3 225.336 0.492 20 30 BCEDHO CN(C)Cc1ccc(CNC(N)=[NH2+])cc1 ZINC000073756962 368814445 /nfs/dbraw/zinc/81/44/45/368814445.db2.gz CGYSLGDOHOUIFN-UHFFFAOYSA-N 1 3 206.293 0.522 20 30 BCEDHO C#CCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000262270314 532988491 /nfs/dbraw/zinc/98/84/91/532988491.db2.gz KIVFNYWAOJMASK-SNVBAGLBSA-N 1 3 208.309 0.008 20 30 BCEDHO C=CCN1CCC(NC(=O)CC(C)(C)[NH3+])CC1 ZINC000178768981 384522603 /nfs/dbraw/zinc/52/26/03/384522603.db2.gz HRCLJGWUDXUMCZ-UHFFFAOYSA-N 1 3 239.363 0.880 20 30 BCEDHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C)C#N ZINC000309104771 385424057 /nfs/dbraw/zinc/42/40/57/385424057.db2.gz LJGCYTKSZZOMLN-VHSXEESVSA-N 1 3 211.309 0.991 20 30 BCEDHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)C#N ZINC000309104771 385424058 /nfs/dbraw/zinc/42/40/58/385424058.db2.gz LJGCYTKSZZOMLN-VHSXEESVSA-N 1 3 211.309 0.991 20 30 BCEDHO C=CCCCN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000309460760 385592141 /nfs/dbraw/zinc/59/21/41/385592141.db2.gz UKQAKPUKMBXBCI-CYBMUJFWSA-N 1 3 223.364 0.932 20 30 BCEDHO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000347031199 386224090 /nfs/dbraw/zinc/22/40/90/386224090.db2.gz DYDARVURFJWKGE-MNOVXSKESA-N 1 3 223.320 0.994 20 30 BCEDHO CC[N@H+]1CCC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000347031199 386224093 /nfs/dbraw/zinc/22/40/93/386224093.db2.gz DYDARVURFJWKGE-MNOVXSKESA-N 1 3 223.320 0.994 20 30 BCEDHO CC(C#N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000347099582 386249800 /nfs/dbraw/zinc/24/98/00/386249800.db2.gz DVLGDJCEQYPAEC-JTQLQIEISA-N 1 3 239.319 0.373 20 30 BCEDHO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424078832 387481023 /nfs/dbraw/zinc/48/10/23/387481023.db2.gz QICJNZQPRORYPO-GHMZBOCLSA-N 1 3 238.335 0.218 20 30 BCEDHO C[NH+](C)CCCNC(=O)[C@H](N)CCCC#N ZINC000424138202 387671590 /nfs/dbraw/zinc/67/15/90/387671590.db2.gz PUSSITSDRMZQHZ-SNVBAGLBSA-N 1 3 226.324 0.075 20 30 BCEDHO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000442763618 387835444 /nfs/dbraw/zinc/83/54/44/387835444.db2.gz BCMAPVSPUMNYHB-AGIUHOORSA-N 1 3 237.347 0.725 20 30 BCEDHO CN1CCC(O)(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442798651 387844326 /nfs/dbraw/zinc/84/43/26/387844326.db2.gz YPWUSWYECVBXJL-RYUDHWBXSA-N 1 3 237.347 0.725 20 30 BCEDHO CC[N@H+](C)CCNC(=O)[C@@H](N)CCCC#N ZINC000424164528 387848517 /nfs/dbraw/zinc/84/85/17/387848517.db2.gz ZNMHGOLWBWLGCM-JTQLQIEISA-N 1 3 226.324 0.075 20 30 BCEDHO CC[N@@H+](C)CCNC(=O)[C@@H](N)CCCC#N ZINC000424164528 387848520 /nfs/dbraw/zinc/84/85/20/387848520.db2.gz ZNMHGOLWBWLGCM-JTQLQIEISA-N 1 3 226.324 0.075 20 30 BCEDHO C#CCN(C)CCCNC(=O)/C=C\C[NH+](C)C ZINC000491349513 388287373 /nfs/dbraw/zinc/28/73/73/388287373.db2.gz ISBFORFLVUKKLJ-VURMDHGXSA-N 1 3 237.347 0.176 20 30 BCEDHO C=CC1CC[NH+](C[C@@](C)(O)CNC)CC1 ZINC000573258020 388436215 /nfs/dbraw/zinc/43/62/15/388436215.db2.gz QBEQGCYUEVVQAM-LBPRGKRZSA-N 1 3 212.337 0.855 20 30 BCEDHO C=CC1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000573258020 388436217 /nfs/dbraw/zinc/43/62/17/388436217.db2.gz QBEQGCYUEVVQAM-LBPRGKRZSA-N 1 3 212.337 0.855 20 30 BCEDHO C#C[C@H](CC)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000262546618 533299372 /nfs/dbraw/zinc/29/93/72/533299372.db2.gz STOTUXZIRRWNMM-VXGBXAGGSA-N 1 3 236.363 0.787 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331742424 134001334 /nfs/dbraw/zinc/00/13/34/134001334.db2.gz BIMCXYXGZJFSGO-VHSXEESVSA-N 1 3 221.304 0.747 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000331742424 134001335 /nfs/dbraw/zinc/00/13/35/134001335.db2.gz BIMCXYXGZJFSGO-VHSXEESVSA-N 1 3 221.304 0.747 20 30 BCEDHO CC(C#N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336000686 134046408 /nfs/dbraw/zinc/04/64/08/134046408.db2.gz KLYVNKUNGHIBIG-MNOVXSKESA-N 1 3 223.320 0.946 20 30 BCEDHO CC(C#N)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000336000686 134046409 /nfs/dbraw/zinc/04/64/09/134046409.db2.gz KLYVNKUNGHIBIG-MNOVXSKESA-N 1 3 223.320 0.946 20 30 BCEDHO CC(C#N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336000685 134047000 /nfs/dbraw/zinc/04/70/00/134047000.db2.gz KLYVNKUNGHIBIG-GHMZBOCLSA-N 1 3 223.320 0.946 20 30 BCEDHO CC(C#N)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000336000685 134047001 /nfs/dbraw/zinc/04/70/01/134047001.db2.gz KLYVNKUNGHIBIG-GHMZBOCLSA-N 1 3 223.320 0.946 20 30 BCEDHO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C#N)C1 ZINC000362601657 134212817 /nfs/dbraw/zinc/21/28/17/134212817.db2.gz KTXPDGPJXBLLAE-GMTAPVOTSA-N 1 3 223.320 0.991 20 30 BCEDHO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C#N)C1 ZINC000362601657 134212818 /nfs/dbraw/zinc/21/28/18/134212818.db2.gz KTXPDGPJXBLLAE-GMTAPVOTSA-N 1 3 223.320 0.991 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252520244 135092424 /nfs/dbraw/zinc/09/24/24/135092424.db2.gz KJAGUKUXIZCUHQ-OPRDCNLKSA-N 1 3 209.293 0.745 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000252520244 135092426 /nfs/dbraw/zinc/09/24/26/135092426.db2.gz KJAGUKUXIZCUHQ-OPRDCNLKSA-N 1 3 209.293 0.745 20 30 BCEDHO [NH2+]=C(NCCNc1ccncc1)NC1CC1 ZINC000261903916 135261876 /nfs/dbraw/zinc/26/18/76/135261876.db2.gz WOBLPXHCGIMEMS-UHFFFAOYSA-N 1 3 219.292 0.560 20 30 BCEDHO CN1CC[NH+]=C1NCCN1CCCC1(C)C ZINC000263194820 135338729 /nfs/dbraw/zinc/33/87/29/135338729.db2.gz WHAQOQLUHZVZCW-UHFFFAOYSA-N 1 3 224.352 0.752 20 30 BCEDHO CC(C#N)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000332012476 135396187 /nfs/dbraw/zinc/39/61/87/135396187.db2.gz HAFSNTQUNICKLZ-VIFPVBQESA-N 1 3 209.293 0.747 20 30 BCEDHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)C#N)C1 ZINC000347758858 136011859 /nfs/dbraw/zinc/01/18/59/136011859.db2.gz YYEOAHHIVYTSLJ-MNOVXSKESA-N 1 3 223.320 0.946 20 30 BCEDHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)C#N)C1 ZINC000347758858 136011860 /nfs/dbraw/zinc/01/18/60/136011860.db2.gz YYEOAHHIVYTSLJ-MNOVXSKESA-N 1 3 223.320 0.946 20 30 BCEDHO C=C(C)COCC[NH2+]C[C@H](O)CN1CCCC1 ZINC000163793194 398131693 /nfs/dbraw/zinc/13/16/93/398131693.db2.gz SDLMTXRSEYFOBS-ZDUSSCGKSA-N 1 3 242.363 0.625 20 30 BCEDHO C=CCNC(=O)[C@H](C)N1CCC([C@@H](C)[NH3+])CC1 ZINC000104140793 166387305 /nfs/dbraw/zinc/38/73/05/166387305.db2.gz MHAXIDACOYIMPB-MNOVXSKESA-N 1 3 239.363 0.736 20 30 BCEDHO C=C[C@H](CO)[NH2+]CCCN1CCCCC1 ZINC000662168690 411372349 /nfs/dbraw/zinc/37/23/49/411372349.db2.gz QUTVRWLXYVHWGA-GFCCVEGCSA-N 1 3 212.337 0.999 20 30 BCEDHO C=CCN(CCOCC[NH3+])[C@@H](C)COC ZINC000662299824 412086900 /nfs/dbraw/zinc/08/69/00/412086900.db2.gz XTEJTFCVADRTGQ-NSHDSACASA-N 1 3 216.325 0.485 20 30 BCEDHO C=CCOCCN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+] ZINC000665275010 412218679 /nfs/dbraw/zinc/21/86/79/412218679.db2.gz ARXMVILDOLOWNM-GRYCIOLGSA-N 1 3 228.336 0.531 20 30 BCEDHO NC(=[NH2+])NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000272662974 487647245 /nfs/dbraw/zinc/64/72/45/487647245.db2.gz ABVGACXUJOSHHG-GFCCVEGCSA-N 1 3 248.330 0.027 20 30 BCEDHO C=C(CN(C)C)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854655206 588799502 /nfs/dbraw/zinc/79/95/02/588799502.db2.gz OTRMZXPAGNKKCV-RYUDHWBXSA-N 1 3 239.363 0.655 20 30 BCEDHO C#CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000855345539 588828560 /nfs/dbraw/zinc/82/85/60/588828560.db2.gz CPGZQCPSUSQAEF-NSHDSACASA-N 1 3 225.336 0.008 20 30 BCEDHO C#CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000855345539 588828561 /nfs/dbraw/zinc/82/85/61/588828561.db2.gz CPGZQCPSUSQAEF-NSHDSACASA-N 1 3 225.336 0.008 20 30 BCEDHO COC[C@H](C)NC(=[NH2+])NCC(C)(C)CN(C)C ZINC000104153683 583112394 /nfs/dbraw/zinc/11/23/94/583112394.db2.gz SDAQARQHYWFNSV-JTQLQIEISA-N 1 3 244.383 0.513 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)NC1CCN(C)CC1 ZINC000900001306 584263852 /nfs/dbraw/zinc/26/38/52/584263852.db2.gz CPZPBUGMLQJGKV-UHFFFAOYSA-N 1 3 239.363 0.705 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000900590854 584329617 /nfs/dbraw/zinc/32/96/17/584329617.db2.gz PPEVDLUXFLNBIM-GFCCVEGCSA-N 1 3 239.363 0.705 20 30 BCEDHO CN(C)C[C@@](C)(CN=NC(N)=[NH2+])c1ccccc1 ZINC000834938570 584915581 /nfs/dbraw/zinc/91/55/81/584915581.db2.gz ISCOUWWLUIPKCH-CYBMUJFWSA-N 1 3 247.346 0.975 20 30 BCEDHO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCCN(C)C1 ZINC000764576572 585468063 /nfs/dbraw/zinc/46/80/63/585468063.db2.gz RXWBJKGRPPZUFE-LBPRGKRZSA-N 1 3 239.363 0.657 20 30 BCEDHO CC(=NNC(N)=[NH2+])c1cccc(CN(C)C)c1 ZINC000814796709 586634575 /nfs/dbraw/zinc/63/45/75/586634575.db2.gz MKONDPZHHUAALI-UHFFFAOYSA-N 1 3 233.319 0.955 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@H]1CCCN(C)C1 ZINC000849005287 588432148 /nfs/dbraw/zinc/43/21/48/588432148.db2.gz KFCRMJLEBIDKFJ-SNVBAGLBSA-N 1 3 210.325 0.628 20 30 BCEDHO C[NH+]=C(NC[C@H](C)CN(C)C)NC1CC1 ZINC000849030282 588442253 /nfs/dbraw/zinc/44/22/53/588442253.db2.gz IEQLWGCDKLALBA-VIFPVBQESA-N 1 3 212.341 0.512 20 30 BCEDHO C[C@H]1C[NH+]=C(NCCN2CCCC2(C)C)N1 ZINC000849039056 588446882 /nfs/dbraw/zinc/44/68/82/588446882.db2.gz GHNVEQQGVUPYPC-JTQLQIEISA-N 1 3 224.352 0.798 20 30 BCEDHO C#CCOCCN1CCC(C[NH+](C)C)CC1 ZINC000851729123 588618876 /nfs/dbraw/zinc/61/88/76/588618876.db2.gz ZFYSLCQPFJMYSA-UHFFFAOYSA-N 1 3 224.348 0.910 20 30 BCEDHO C#CCOCC[N@H+]1CC[C@H](CN(C)C)C1 ZINC000851771855 588626147 /nfs/dbraw/zinc/62/61/47/588626147.db2.gz QICNPYIVOHMVMC-GFCCVEGCSA-N 1 3 210.321 0.520 20 30 BCEDHO C#CCOCC[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000851771855 588626148 /nfs/dbraw/zinc/62/61/48/588626148.db2.gz QICNPYIVOHMVMC-GFCCVEGCSA-N 1 3 210.321 0.520 20 30 BCEDHO CN1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852858585 588708979 /nfs/dbraw/zinc/70/89/79/588708979.db2.gz FBTFNJOWEGAMKC-CYBMUJFWSA-N 1 3 249.358 0.057 20 30 BCEDHO C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)N(C)C ZINC000852862034 588709293 /nfs/dbraw/zinc/70/92/93/588709293.db2.gz QQLDPYROIMVPIQ-LLVKDONJSA-N 1 3 237.347 0.056 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000876522001 590207276 /nfs/dbraw/zinc/20/72/76/590207276.db2.gz DMINWLAUHCOBTF-VIFPVBQESA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000876526650 590208326 /nfs/dbraw/zinc/20/83/26/590208326.db2.gz ZKNQYAAKJQQFIV-VHSXEESVSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000876528060 590209360 /nfs/dbraw/zinc/20/93/60/590209360.db2.gz JTXJFHIJEAPARH-DTWKUNHWSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)CCC[NH3+] ZINC000876535899 590211365 /nfs/dbraw/zinc/21/13/65/590211365.db2.gz SMEYTVVDBWCMLP-QMMMGPOBSA-N 1 3 219.716 0.264 20 30 BCEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000876537861 590211572 /nfs/dbraw/zinc/21/15/72/590211572.db2.gz GAUGEBVNFKVOHX-SECBINFHSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNCC1(C)C ZINC000876537862 590211840 /nfs/dbraw/zinc/21/18/40/590211840.db2.gz GAUGEBVNFKVOHX-VIFPVBQESA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC(C)(C)[NH+](C)C ZINC000876710395 590232772 /nfs/dbraw/zinc/23/27/72/590232772.db2.gz JWUBUVXQSAUHOV-SECBINFHSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH+](C)C ZINC000876707633 590232925 /nfs/dbraw/zinc/23/29/25/590232925.db2.gz MECSRNFLFOJQQA-SECBINFHSA-N 1 3 233.743 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H](C)C[NH3+] ZINC000876788240 590240983 /nfs/dbraw/zinc/24/09/83/590240983.db2.gz YCBXQQPEEQIMGX-SVRRBLITSA-N 1 3 219.716 0.167 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000876831400 590247543 /nfs/dbraw/zinc/24/75/43/590247543.db2.gz ZJDKKUZQYJQXKL-FKTZTGRPSA-N 1 3 245.754 0.571 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]([NH3+])CC ZINC000876863555 590251005 /nfs/dbraw/zinc/25/10/05/590251005.db2.gz GRNRALZQSVQBIA-YUMQZZPRSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000876916617 590256708 /nfs/dbraw/zinc/25/67/08/590256708.db2.gz WMLAJGROXOWNQB-XHNCKOQMSA-N 1 3 231.727 0.404 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000876916679 590257103 /nfs/dbraw/zinc/25/71/03/590257103.db2.gz XXJOUUYVUCMGRX-IUCAKERBSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC(C)(C)CC[NH3+] ZINC000876927141 590257404 /nfs/dbraw/zinc/25/74/04/590257404.db2.gz SEVUPNYNOPQOOO-MRVPVSSYSA-N 1 3 233.743 0.700 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000876953120 590260782 /nfs/dbraw/zinc/26/07/82/590260782.db2.gz YQSIRJQGJCERED-AEJSXWLSSA-N 1 3 245.754 0.795 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000877023166 590270456 /nfs/dbraw/zinc/27/04/56/590270456.db2.gz GSCKVELUDXKLKU-LPEHRKFASA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000877293346 590307647 /nfs/dbraw/zinc/30/76/47/590307647.db2.gz MIKPKFCZNOHYTP-GUBZILKMSA-N 1 3 245.754 0.842 20 30 BCEDHO C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879577894 590815441 /nfs/dbraw/zinc/81/54/41/590815441.db2.gz NSDLAIYTTUWWFA-AGIUHOORSA-N 1 3 224.348 0.949 20 30 BCEDHO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@H](CCN2C)C1 ZINC000879577894 590815443 /nfs/dbraw/zinc/81/54/43/590815443.db2.gz NSDLAIYTTUWWFA-AGIUHOORSA-N 1 3 224.348 0.949 20 30 BCEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887933250 592561083 /nfs/dbraw/zinc/56/10/83/592561083.db2.gz JVUTVXNEYIUMIW-JBLDHEPKSA-N 1 3 221.304 0.556 20 30 BCEDHO CC(C#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000887933250 592561085 /nfs/dbraw/zinc/56/10/85/592561085.db2.gz JVUTVXNEYIUMIW-JBLDHEPKSA-N 1 3 221.304 0.556 20 30 BCEDHO C#CCSCCNC[C@H](O)C[N@@H+](C)C1CC1 ZINC000309202844 632808529 /nfs/dbraw/zinc/80/85/29/632808529.db2.gz AQKMZMPJWMKLMJ-LBPRGKRZSA-N 1 3 242.388 0.398 20 30 BCEDHO C#CCSCCNC[C@H](O)C[N@H+](C)C1CC1 ZINC000309202844 632808532 /nfs/dbraw/zinc/80/85/32/632808532.db2.gz AQKMZMPJWMKLMJ-LBPRGKRZSA-N 1 3 242.388 0.398 20 30 BCEDHO CNC(=[NH2+])NCC(C)(C)N1CCCCC1 ZINC000303266382 636305456 /nfs/dbraw/zinc/30/54/56/636305456.db2.gz VZXCTDUBOKAKCH-UHFFFAOYSA-N 1 3 212.341 0.785 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911624267 639685316 /nfs/dbraw/zinc/68/53/16/639685316.db2.gz QTCQALHFONCUNK-WDEREUQCSA-N 1 3 225.336 0.620 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651899 639707259 /nfs/dbraw/zinc/70/72/59/639707259.db2.gz GVYFGTUFURIYRI-ZJUUUORDSA-N 1 3 211.309 0.230 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739134 639764870 /nfs/dbraw/zinc/76/48/70/639764870.db2.gz QNPWRUQBSPHXFJ-GHMZBOCLSA-N 1 3 225.336 0.477 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787834 639805759 /nfs/dbraw/zinc/80/57/59/639805759.db2.gz WIXXKAHOYBIOLP-LBPRGKRZSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC[C@H]([NH3+])C(C)C ZINC000911827135 639839337 /nfs/dbraw/zinc/83/93/37/639839337.db2.gz SQTVIMSSSDVVBE-QWRGUYRKSA-N 1 3 227.352 0.770 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911817666 639850155 /nfs/dbraw/zinc/85/01/55/639850155.db2.gz IWTVMWWIJKWXOH-TUAOUCFPSA-N 1 3 239.363 0.866 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000911846280 639856612 /nfs/dbraw/zinc/85/66/12/639856612.db2.gz OXRVMJZFBCNSFN-SECBINFHSA-N 1 3 213.325 0.524 20 30 BCEDHO C#CCC1(NC[C@H](O)C[N@@H+](C)CC)CCC1 ZINC000933296947 642507174 /nfs/dbraw/zinc/50/71/74/642507174.db2.gz SOEGUJPQLLUWEJ-LBPRGKRZSA-N 1 3 224.348 0.835 20 30 BCEDHO C#CCC1(NC[C@H](O)C[N@H+](C)CC)CCC1 ZINC000933296947 642507183 /nfs/dbraw/zinc/50/71/83/642507183.db2.gz SOEGUJPQLLUWEJ-LBPRGKRZSA-N 1 3 224.348 0.835 20 30 BCEDHO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC000969074556 642823753 /nfs/dbraw/zinc/82/37/53/642823753.db2.gz IULYDHJTUSVZME-VXGBXAGGSA-N 1 3 239.363 0.703 20 30 BCEDHO C=CCC[C@H](O)CN1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000923388520 644402800 /nfs/dbraw/zinc/40/28/00/644402800.db2.gz RLLIOSYTIPUVRY-FRRDWIJNSA-N 1 3 242.363 0.609 20 30 BCEDHO CCCCNC(=[NH2+])NCCCN(C)CCOC ZINC000303908573 644856262 /nfs/dbraw/zinc/85/62/62/644856262.db2.gz XQCRBTKRMSIPKA-UHFFFAOYSA-N 1 3 244.383 0.659 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000877048815 645788607 /nfs/dbraw/zinc/78/86/07/645788607.db2.gz AHUQXFRJGKJDAV-AEJSXWLSSA-N 1 3 245.754 0.713 20 30 BCEDHO C=CC[C@H](CO)CN[C@H]1CCC[NH2+][C@H]1C ZINC000925629871 646374983 /nfs/dbraw/zinc/37/49/83/646374983.db2.gz MBVBQNQBYLUAHM-SRVKXCTJSA-N 1 3 212.337 0.901 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)[C@H]1C ZINC001074561547 711443481 /nfs/dbraw/zinc/44/34/81/711443481.db2.gz DJIZUAYTSOBQFH-AVGNSLFASA-N 1 3 249.358 0.293 20 30 BCEDHO C[C@@H](CC(C)(C)C#N)NC[C@]1(O)CC[N@H+](C)C1 ZINC000705374009 712130940 /nfs/dbraw/zinc/13/09/40/712130940.db2.gz FXMDJBDOMOPKJS-WCQYABFASA-N 1 3 239.363 0.971 20 30 BCEDHO C[C@@H](CC(C)(C)C#N)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000705374009 712130942 /nfs/dbraw/zinc/13/09/42/712130942.db2.gz FXMDJBDOMOPKJS-WCQYABFASA-N 1 3 239.363 0.971 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602168176 349467483 /nfs/dbraw/zinc/46/74/83/349467483.db2.gz VNZWEGZQHKXTNP-GARJFASQSA-N 1 3 221.304 0.889 20 30 BCEDHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)[C@@H](N)CCCCC#N ZINC000602595615 349644064 /nfs/dbraw/zinc/64/40/64/349644064.db2.gz IYKNDSHLPIIRKA-MXWKQRLJSA-N 1 3 238.335 0.346 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600312356 343245915 /nfs/dbraw/zinc/24/59/15/343245915.db2.gz FRROSWBJTSCQFX-QWRGUYRKSA-N 1 3 223.320 0.994 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600312356 343245917 /nfs/dbraw/zinc/24/59/17/343245917.db2.gz FRROSWBJTSCQFX-QWRGUYRKSA-N 1 3 223.320 0.994 20 30 BCEDHO CCCNC(=[NH2+])NCC1=CCN(C)CC1 ZINC000271850382 136374999 /nfs/dbraw/zinc/37/49/99/136374999.db2.gz VZHMVGFFBHQDLJ-UHFFFAOYSA-N 1 3 210.325 0.563 20 30 BCEDHO N#CCCN1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000601333199 347225225 /nfs/dbraw/zinc/22/52/25/347225225.db2.gz QBYWBGQMOALNLA-ZDUSSCGKSA-N 1 3 236.363 0.517 20 30 BCEDHO N#CCN1CCC([NH2+][C@@H]2CCC[C@@H](N)C2)CC1 ZINC000594583071 348077079 /nfs/dbraw/zinc/07/70/79/348077079.db2.gz UZLWGAGPTONUDB-DGCLKSJQSA-N 1 3 236.363 0.834 20 30 BCEDHO N#CCN1CCC([NH2+][C@H]2CCC[C@H](N)C2)CC1 ZINC000594583070 348077119 /nfs/dbraw/zinc/07/71/19/348077119.db2.gz UZLWGAGPTONUDB-AAEUAGOBSA-N 1 3 236.363 0.834 20 30 BCEDHO CC(C)[C@H]([NH3+])CNC(=O)[C@@H](N)CCCCC#N ZINC000594426951 348043763 /nfs/dbraw/zinc/04/37/63/348043763.db2.gz RXMZYWYWTAUQNB-WDEREUQCSA-N 1 3 240.351 0.497 20 30 BCEDHO C[C@@H](CC[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594437959 348053925 /nfs/dbraw/zinc/05/39/25/348053925.db2.gz GCMYDHQXDYABDQ-UWVGGRQHSA-N 1 3 226.324 0.251 20 30 BCEDHO C[C@@H](NC(=O)[C@H](N)CCCCC#N)[C@H](C)[NH3+] ZINC000594444285 348055577 /nfs/dbraw/zinc/05/55/77/348055577.db2.gz NVFKRFIMUDRRLQ-IVZWLZJFSA-N 1 3 226.324 0.250 20 30 BCEDHO CN(C(=O)[C@@H](N)CCCCC#N)C1CC([NH3+])C1 ZINC000594444756 348055620 /nfs/dbraw/zinc/05/56/20/348055620.db2.gz XHAGLNSFULMSKU-ILDUYXDCSA-N 1 3 238.335 0.346 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000390804271 350101937 /nfs/dbraw/zinc/10/19/37/350101937.db2.gz WLZMJCCDRLIATE-KXUCPTDWSA-N 1 3 209.293 0.697 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000390804272 350102011 /nfs/dbraw/zinc/10/20/11/350102011.db2.gz WLZMJCCDRLIATE-OPRDCNLKSA-N 1 3 209.293 0.697 20 30 BCEDHO C#CCN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363805283 191127220 /nfs/dbraw/zinc/12/72/20/191127220.db2.gz XYVAQTPIPNPAEZ-UHFFFAOYSA-N 1 3 249.402 0.969 20 30 BCEDHO CC[C@H](C)NC(=[NH2+])NCC1=CCN(C)CC1 ZINC000271794616 351437102 /nfs/dbraw/zinc/43/71/02/351437102.db2.gz JSNQVOJKHPXNJA-JTQLQIEISA-N 1 3 224.352 0.951 20 30 BCEDHO C=CCNC(=O)[C@@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000070170538 353255422 /nfs/dbraw/zinc/25/54/22/353255422.db2.gz QYXKUVZBZXDBEA-VXGBXAGGSA-N 1 3 239.363 0.738 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000192111194 353542436 /nfs/dbraw/zinc/54/24/36/353542436.db2.gz DYGFJEVTXSWUFO-QWRGUYRKSA-N 1 3 239.363 0.736 20 30 BCEDHO C=CCNC(=O)[C@@H](C)N1CCC(C[NH2+]C)CC1 ZINC000063166161 353580184 /nfs/dbraw/zinc/58/01/84/353580184.db2.gz ZOZNHIYOIMJVKI-LLVKDONJSA-N 1 3 239.363 0.609 20 30 BCEDHO CC[NH+](CC)[C@H](C)CNC(=O)C(C)C#N ZINC000345816993 354785407 /nfs/dbraw/zinc/78/54/07/354785407.db2.gz ONZJJSQSIHQRNG-VHSXEESVSA-N 1 3 211.309 0.993 20 30 BCEDHO C=CCNC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358506352 134189258 /nfs/dbraw/zinc/18/92/58/134189258.db2.gz JJSBYDHZOBXXHM-UHFFFAOYSA-N 1 3 237.347 0.364 20 30 BCEDHO CCC(CC)(C[NH3+])NC(=O)[C@@H](N)CCCC#N ZINC000424085174 200857090 /nfs/dbraw/zinc/85/70/90/200857090.db2.gz ZDVMGSNYTDSKRZ-JTQLQIEISA-N 1 3 240.351 0.641 20 30 BCEDHO N#Cc1ncn(CCN[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000573386240 364821270 /nfs/dbraw/zinc/82/12/70/364821270.db2.gz XBICZXMXXXCWTK-UWVGGRQHSA-N 1 3 234.307 0.009 20 30 BCEDHO CN(CCOCC[NH3+])Cc1ccc(C#N)cc1 ZINC000600735621 369560890 /nfs/dbraw/zinc/56/08/90/369560890.db2.gz MQPGKNQSKBHGPR-UHFFFAOYSA-N 1 3 233.315 0.965 20 30 BCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(N)C2)C1=O ZINC000621784135 370535317 /nfs/dbraw/zinc/53/53/17/370535317.db2.gz KKMYEOCYDNLIRU-MBNYWOFBSA-N 1 3 249.358 0.587 20 30 BCEDHO C=CCN1CC[C@H]([N@H+]2C[C@H]3CCC[C@@]3(N)C2)C1=O ZINC000621784135 370535318 /nfs/dbraw/zinc/53/53/18/370535318.db2.gz KKMYEOCYDNLIRU-MBNYWOFBSA-N 1 3 249.358 0.587 20 30 BCEDHO CN(C(=O)[C@H](N)CCCC#N)[C@H](C[NH3+])C1CC1 ZINC000424200930 206035048 /nfs/dbraw/zinc/03/50/48/206035048.db2.gz RPISUZUPXZWIMV-GHMZBOCLSA-N 1 3 238.335 0.203 20 30 BCEDHO CC(C#N)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000227515823 134382309 /nfs/dbraw/zinc/38/23/09/134382309.db2.gz KZNCYEWDRPOKSN-JTQLQIEISA-N 1 3 223.320 0.994 20 30 BCEDHO CN(CC#N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363460339 384060261 /nfs/dbraw/zinc/06/02/61/384060261.db2.gz BBFBVUFRDYPMPA-CYBMUJFWSA-N 1 3 236.363 0.610 20 30 BCEDHO C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H](N)CCCCC#N ZINC000594449417 385601453 /nfs/dbraw/zinc/60/14/53/385601453.db2.gz IWRZHLUBOBNIHO-DCAQKATOSA-N 1 3 240.351 0.640 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000519647288 386526730 /nfs/dbraw/zinc/52/67/30/386526730.db2.gz LDBXZYZSSZFOEZ-JTQLQIEISA-N 1 3 225.336 0.361 20 30 BCEDHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)N1 ZINC000424070362 387476130 /nfs/dbraw/zinc/47/61/30/387476130.db2.gz AJBYLANULJJYDZ-OUAUKWLOSA-N 1 3 238.335 0.216 20 30 BCEDHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@@H](N)CCCC#N ZINC000424080059 387480827 /nfs/dbraw/zinc/48/08/27/387480827.db2.gz SCOVIZCVHBYEIZ-CMPLNLGQSA-N 1 3 240.351 0.497 20 30 BCEDHO CCC(CC)(C[NH3+])NC(=O)[C@H](N)CCCC#N ZINC000424085177 387483738 /nfs/dbraw/zinc/48/37/38/387483738.db2.gz ZDVMGSNYTDSKRZ-SNVBAGLBSA-N 1 3 240.351 0.641 20 30 BCEDHO C[NH+](C)C(C)(C)CNC(=O)[C@@H](N)CCCC#N ZINC000424127124 387604283 /nfs/dbraw/zinc/60/42/83/387604283.db2.gz AOPZOTZOGSZXQO-JTQLQIEISA-N 1 3 240.351 0.464 20 30 BCEDHO C[C@@H]1[C@H](C)NCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424151032 387793793 /nfs/dbraw/zinc/79/37/93/387793793.db2.gz FESXIBHVRFNBDP-HBNTYKKESA-N 1 3 238.335 0.216 20 30 BCEDHO CC(C)[N@H+](C)CCNC(=O)[C@@H](N)CCCC#N ZINC000424154092 387811462 /nfs/dbraw/zinc/81/14/62/387811462.db2.gz LBBHLBVSKVFFAS-NSHDSACASA-N 1 3 240.351 0.464 20 30 BCEDHO CC(C)[N@@H+](C)CCNC(=O)[C@@H](N)CCCC#N ZINC000424154092 387811465 /nfs/dbraw/zinc/81/14/65/387811465.db2.gz LBBHLBVSKVFFAS-NSHDSACASA-N 1 3 240.351 0.464 20 30 BCEDHO CC1(C)[NH2+]CC[C@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424173614 387873311 /nfs/dbraw/zinc/87/33/11/387873311.db2.gz FGVOWDQNKMRRSU-VHSXEESVSA-N 1 3 238.335 0.264 20 30 BCEDHO CC1(C)[NH2+]CC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424173616 387873629 /nfs/dbraw/zinc/87/36/29/387873629.db2.gz FGVOWDQNKMRRSU-ZJUUUORDSA-N 1 3 238.335 0.264 20 30 BCEDHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H](N)CCCC#N ZINC000424164601 387848949 /nfs/dbraw/zinc/84/89/49/387848949.db2.gz XFBMCKSYJXTPLK-DCAQKATOSA-N 1 3 238.335 0.264 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000084796688 388081334 /nfs/dbraw/zinc/08/13/34/388081334.db2.gz BMAALPHBTLHCEC-OUAUKWLOSA-N 1 3 221.304 0.889 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000084796688 388081335 /nfs/dbraw/zinc/08/13/35/388081335.db2.gz BMAALPHBTLHCEC-OUAUKWLOSA-N 1 3 221.304 0.889 20 30 BCEDHO C#CC[N@@H+](C)CCCNC(=O)CN(CC)CC ZINC000491516673 388300405 /nfs/dbraw/zinc/30/04/05/388300405.db2.gz VGGDLKSKYVEXDK-UHFFFAOYSA-N 1 3 239.363 0.400 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000565033703 388910315 /nfs/dbraw/zinc/91/03/15/388910315.db2.gz VOLJNXQXZUIRTP-RISCZKNCSA-N 1 3 249.358 0.505 20 30 BCEDHO C#C[C@H](CC)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000262546613 533299388 /nfs/dbraw/zinc/29/93/88/533299388.db2.gz STOTUXZIRRWNMM-NEPJUHHUSA-N 1 3 236.363 0.787 20 30 BCEDHO C#CCCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378314684 134245954 /nfs/dbraw/zinc/24/59/54/134245954.db2.gz HWBMJWOAMJNPEA-LSDHHAIUSA-N 1 3 249.402 0.968 20 30 BCEDHO CC#CCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000262027754 135114438 /nfs/dbraw/zinc/11/44/38/135114438.db2.gz NSIXKSKLMDPWJK-NSHDSACASA-N 1 3 222.336 0.398 20 30 BCEDHO C=CCCN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261531345 135159984 /nfs/dbraw/zinc/15/99/84/135159984.db2.gz GEOWDUWWGIZERW-LBPRGKRZSA-N 1 3 209.337 0.542 20 30 BCEDHO C#CCNC(=O)CCNCC[NH+](CC)CC ZINC000491748467 397867207 /nfs/dbraw/zinc/86/72/07/397867207.db2.gz FABZYNKUHDIKQL-UHFFFAOYSA-N 1 3 225.336 0.057 20 30 BCEDHO CCC[NH2+]CCNC(=O)[C@@H](N)CCCCC#N ZINC000594438209 397973725 /nfs/dbraw/zinc/97/37/25/397973725.db2.gz HSVBXPPIQFKCCJ-NSHDSACASA-N 1 3 240.351 0.513 20 30 BCEDHO CC#CC[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000363466969 398120380 /nfs/dbraw/zinc/12/03/80/398120380.db2.gz IJHIBLQRKGBSIO-HNNXBMFYSA-N 1 3 249.402 0.969 20 30 BCEDHO CC#CC[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000363466969 398120381 /nfs/dbraw/zinc/12/03/81/398120381.db2.gz IJHIBLQRKGBSIO-HNNXBMFYSA-N 1 3 249.402 0.969 20 30 BCEDHO C=CC[NH+](CC=C)[C@H](CNC(=O)CN)C(C)C ZINC000165200047 166337748 /nfs/dbraw/zinc/33/77/48/166337748.db2.gz QLDWVBZRCNPLMM-GFCCVEGCSA-N 1 3 239.363 0.760 20 30 BCEDHO C#CCOCC[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000851771856 588625204 /nfs/dbraw/zinc/62/52/04/588625204.db2.gz QICNPYIVOHMVMC-LBPRGKRZSA-N 1 3 210.321 0.520 20 30 BCEDHO C#CCOCC[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000851771856 588625205 /nfs/dbraw/zinc/62/52/05/588625205.db2.gz QICNPYIVOHMVMC-LBPRGKRZSA-N 1 3 210.321 0.520 20 30 BCEDHO C=CCN1CC[C@@H](N2CCC(C[NH3+])CC2)C1=O ZINC000566244626 322979252 /nfs/dbraw/zinc/97/92/52/322979252.db2.gz GOUBMHGPLYFUOQ-GFCCVEGCSA-N 1 3 237.347 0.444 20 30 BCEDHO C#CCN(C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC000395732903 323239781 /nfs/dbraw/zinc/23/97/81/323239781.db2.gz OZFUEJCGBOFJES-GFCCVEGCSA-N 1 3 237.347 0.009 20 30 BCEDHO C=CCCCN1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000566571958 326065906 /nfs/dbraw/zinc/06/59/06/326065906.db2.gz IBSVDTFWBNFYAL-WDEREUQCSA-N 1 3 223.320 0.196 20 30 BCEDHO C=CCCOCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000231819951 487477348 /nfs/dbraw/zinc/47/73/48/487477348.db2.gz XZHFVSTYUMQKNE-CYBMUJFWSA-N 1 3 242.363 0.625 20 30 BCEDHO C=CCCC[N@@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304628039 534719673 /nfs/dbraw/zinc/71/96/73/534719673.db2.gz VBEPWXHQZTUJOD-ZDUSSCGKSA-N 1 3 223.364 0.932 20 30 BCEDHO C=CCCC[N@H+]1CC[C@H](N2CCNCC2)C1 ZINC000304628039 534719678 /nfs/dbraw/zinc/71/96/78/534719678.db2.gz VBEPWXHQZTUJOD-ZDUSSCGKSA-N 1 3 223.364 0.932 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000261993092 535548748 /nfs/dbraw/zinc/54/87/48/535548748.db2.gz MXHSKQOVQANACJ-GMTAPVOTSA-N 1 3 224.352 0.783 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000261993088 535548879 /nfs/dbraw/zinc/54/88/79/535548879.db2.gz MXHSKQOVQANACJ-AXFHLTTASA-N 1 3 224.352 0.783 20 30 BCEDHO C=C(CN(C)C)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854655205 588799414 /nfs/dbraw/zinc/79/94/14/588799414.db2.gz OTRMZXPAGNKKCV-NWDGAFQWSA-N 1 3 239.363 0.655 20 30 BCEDHO CN1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852854730 583021265 /nfs/dbraw/zinc/02/12/65/583021265.db2.gz NZDGFWOBNTVJSS-UHFFFAOYSA-N 1 3 249.358 0.200 20 30 BCEDHO CCN(CC)CC[NH+]=C(N(C)C)N(C)C ZINC000104152112 583105935 /nfs/dbraw/zinc/10/59/35/583105935.db2.gz PFWTUMKTQBDWNB-UHFFFAOYSA-N 1 3 214.357 0.807 20 30 BCEDHO CCCCNC(=[NH2+])NCCCN(C)C ZINC000104152807 583109066 /nfs/dbraw/zinc/10/90/66/583109066.db2.gz BDUMDYMRSLLLHM-UHFFFAOYSA-N 1 3 200.330 0.643 20 30 BCEDHO CN(C)C[C@](C)(CN=NC(N)=[NH2+])c1ccccc1 ZINC000834938574 584915540 /nfs/dbraw/zinc/91/55/40/584915540.db2.gz ISCOUWWLUIPKCH-ZDUSSCGKSA-N 1 3 247.346 0.975 20 30 BCEDHO C=CCNC(NC[C@@H]1CCN(C)C1)=[NH+]C ZINC000103902249 585016518 /nfs/dbraw/zinc/01/65/18/585016518.db2.gz MGMCLOPJCCZSBB-JTQLQIEISA-N 1 3 210.325 0.289 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000805430101 585592565 /nfs/dbraw/zinc/59/25/65/585592565.db2.gz SQWRBOYQXJBJGS-JTQLQIEISA-N 1 3 213.325 0.171 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000822625050 587177971 /nfs/dbraw/zinc/17/79/71/587177971.db2.gz IWKVZZIXJLDQIE-GFCCVEGCSA-N 1 3 239.363 0.561 20 30 BCEDHO C=CCNC(=[NH2+])NCCCN1CCC(O)CC1 ZINC000848987917 588426357 /nfs/dbraw/zinc/42/63/57/588426357.db2.gz PACWXHPRJKENQI-UHFFFAOYSA-N 1 3 240.351 0.133 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH2+]CC ZINC000876509378 590204992 /nfs/dbraw/zinc/20/49/92/590204992.db2.gz KIKYOGLPXRBMBU-SECBINFHSA-N 1 3 233.743 0.572 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C)C[NH3+] ZINC000876531915 590206687 /nfs/dbraw/zinc/20/66/87/590206687.db2.gz STZBKTVDKOHLIX-SFYZADRCSA-N 1 3 219.716 0.262 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000876514784 590206735 /nfs/dbraw/zinc/20/67/35/590206735.db2.gz ZKOZMCGYQKBLAC-UWVGGRQHSA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000876525660 590208297 /nfs/dbraw/zinc/20/82/97/590208297.db2.gz MSGFNULSZXRXBH-VHSXEESVSA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000876526649 590208744 /nfs/dbraw/zinc/20/87/44/590208744.db2.gz ZKNQYAAKJQQFIV-UWVGGRQHSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000876536405 590211154 /nfs/dbraw/zinc/21/11/54/590211154.db2.gz BZEPCVWGKWXEJZ-DTWKUNHWSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH2+]C ZINC000876541249 590212281 /nfs/dbraw/zinc/21/22/81/590212281.db2.gz VZZUIWJCGDLQGB-NXEZZACHSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H](C)[NH+](C)C ZINC000876735132 590234554 /nfs/dbraw/zinc/23/45/54/590234554.db2.gz LBDSZBALJFMBMI-DTWKUNHWSA-N 1 3 233.743 0.523 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC[NH2+]C ZINC000876791408 590241390 /nfs/dbraw/zinc/24/13/90/590241390.db2.gz DMZYERGCEOUKCF-MRVPVSSYSA-N 1 3 219.716 0.134 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@@H]1C ZINC000876830916 590247239 /nfs/dbraw/zinc/24/72/39/590247239.db2.gz ALRCSZZWEIYLDK-UTLUCORTSA-N 1 3 245.754 0.665 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H](C)[NH2+]CC ZINC000876836621 590248246 /nfs/dbraw/zinc/24/82/46/590248246.db2.gz DWGSSOXROKHPHL-RKDXNWHRSA-N 1 3 233.743 0.571 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C)CCC[NH3+] ZINC000876857314 590250203 /nfs/dbraw/zinc/25/02/03/590250203.db2.gz AYAWPXRAIQMQOX-DTWKUNHWSA-N 1 3 233.743 0.700 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]([NH3+])CC ZINC000876863552 590251057 /nfs/dbraw/zinc/25/10/57/590251057.db2.gz GRNRALZQSVQBIA-HTQZYQBOSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000876916678 590256820 /nfs/dbraw/zinc/25/68/20/590256820.db2.gz XXJOUUYVUCMGRX-DTWKUNHWSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)CCC[NH2+]C ZINC000876922034 590257342 /nfs/dbraw/zinc/25/73/42/590257342.db2.gz PRJNAGYFPVAWIB-VIFPVBQESA-N 1 3 233.743 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC(C)(C)CC[NH3+] ZINC000876927142 590257928 /nfs/dbraw/zinc/25/79/28/590257928.db2.gz SEVUPNYNOPQOOO-QMMMGPOBSA-N 1 3 233.743 0.700 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000876977245 590263839 /nfs/dbraw/zinc/26/38/39/590263839.db2.gz SVLORGRYDQIIHR-NXEZZACHSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877107730 590286022 /nfs/dbraw/zinc/28/60/22/590286022.db2.gz KSCFJGFMRAGURD-JGVFFNPUSA-N 1 3 219.716 0.262 20 30 BCEDHO C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879577897 590802750 /nfs/dbraw/zinc/80/27/50/590802750.db2.gz NSDLAIYTTUWWFA-XQQFMLRXSA-N 1 3 224.348 0.949 20 30 BCEDHO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2[C@@H](CCN2C)C1 ZINC000879577897 590802752 /nfs/dbraw/zinc/80/27/52/590802752.db2.gz NSDLAIYTTUWWFA-XQQFMLRXSA-N 1 3 224.348 0.949 20 30 BCEDHO C[NH+]=C(NC[C@@H]1CCN(C)C1)NC1CC1 ZINC000103337554 592579232 /nfs/dbraw/zinc/57/92/32/592579232.db2.gz CRWWTGDDHSVBMC-VIFPVBQESA-N 1 3 210.325 0.266 20 30 BCEDHO C#CCCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000178586226 635534407 /nfs/dbraw/zinc/53/44/07/635534407.db2.gz PDZXMBUPWTYQMW-GFCCVEGCSA-N 1 3 236.363 0.788 20 30 BCEDHO C[C@H](C#N)OCCN1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000310317168 632716917 /nfs/dbraw/zinc/71/69/17/632716917.db2.gz GAODGDGVGNPHNT-FRRDWIJNSA-N 1 3 237.347 0.799 20 30 BCEDHO C[C@H](C#N)OCCN1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000310317168 632716922 /nfs/dbraw/zinc/71/69/22/632716922.db2.gz GAODGDGVGNPHNT-FRRDWIJNSA-N 1 3 237.347 0.799 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCN(C)[C@@H]1C ZINC000928427608 635904998 /nfs/dbraw/zinc/90/49/98/635904998.db2.gz KDWZSCIJTADEMA-VXGBXAGGSA-N 1 3 239.363 0.703 20 30 BCEDHO C#CC[N@H+](C)CCCNc1cc(C)nc(N)n1 ZINC000328018756 633213162 /nfs/dbraw/zinc/21/31/62/633213162.db2.gz RVTGREVRMYYCRI-UHFFFAOYSA-N 1 3 233.319 0.734 20 30 BCEDHO C#CC[N@@H+](C)CCCNc1cc(C)nc(N)n1 ZINC000328018756 633213166 /nfs/dbraw/zinc/21/31/66/633213166.db2.gz RVTGREVRMYYCRI-UHFFFAOYSA-N 1 3 233.319 0.734 20 30 BCEDHO C[C@H]1[NH2+]CCC[C@H]1NC1CCN(CC#N)CC1 ZINC000925609212 634146183 /nfs/dbraw/zinc/14/61/83/634146183.db2.gz QOPPBABYQGMADF-DGCLKSJQSA-N 1 3 236.363 0.704 20 30 BCEDHO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989797524 636881661 /nfs/dbraw/zinc/88/16/61/636881661.db2.gz YIXIUPZOENZGIU-QWHCGFSZSA-N 1 3 249.358 0.294 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911708070 639759633 /nfs/dbraw/zinc/75/96/33/639759633.db2.gz TZYGKYHJUCOISO-VXGBXAGGSA-N 1 3 239.363 0.867 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911736601 639761981 /nfs/dbraw/zinc/76/19/81/639761981.db2.gz MQKUXZGTGICXHG-NEPJUHHUSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NCC(C)(C)[NH3+] ZINC000911846283 639857051 /nfs/dbraw/zinc/85/70/51/639857051.db2.gz OXRVMJZFBCNSFN-VIFPVBQESA-N 1 3 213.325 0.524 20 30 BCEDHO C=C(C)[C@@H](CO)N1CCC(O)(C[NH+](C)C)CC1 ZINC000931482635 640233137 /nfs/dbraw/zinc/23/31/37/640233137.db2.gz KAFWTACCUFXRQX-GFCCVEGCSA-N 1 3 242.363 0.312 20 30 BCEDHO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)N(C)C)C1 ZINC000969989189 643262639 /nfs/dbraw/zinc/26/26/39/643262639.db2.gz IULYDHJTUSVZME-NEPJUHHUSA-N 1 3 239.363 0.703 20 30 BCEDHO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCN2C)C1 ZINC000998554903 643713285 /nfs/dbraw/zinc/71/32/85/643713285.db2.gz BUGSADGQEZPPDX-BPCQOVAHSA-N 1 3 249.358 0.293 20 30 BCEDHO C=CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999470768 643736110 /nfs/dbraw/zinc/73/61/10/643736110.db2.gz WHSXXMHDOWJJLM-UHFFFAOYSA-N 1 3 248.330 0.717 20 30 BCEDHO C#CC[NH2+]C1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000999468779 643736339 /nfs/dbraw/zinc/73/63/39/643736339.db2.gz IWLLIFCNCZXUNI-UHFFFAOYSA-N 1 3 246.314 0.164 20 30 BCEDHO C=CCC[C@@H](O)C[N@@H+]1CCCO[C@H](CN)C1 ZINC000923378974 644391343 /nfs/dbraw/zinc/39/13/43/644391343.db2.gz MFMHEUQWKKMUJT-VXGBXAGGSA-N 1 3 228.336 0.363 20 30 BCEDHO C=CCC[C@@H](O)C[N@H+]1CCCO[C@H](CN)C1 ZINC000923378974 644391345 /nfs/dbraw/zinc/39/13/45/644391345.db2.gz MFMHEUQWKKMUJT-VXGBXAGGSA-N 1 3 228.336 0.363 20 30 BCEDHO C=CCNC(=O)CN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504001 644475613 /nfs/dbraw/zinc/47/56/13/644475613.db2.gz NTBAHZDDHCHMQL-GHMZBOCLSA-N 1 3 225.336 0.205 20 30 BCEDHO CNC(NC[C@H](C)N1CCC[C@H](C)C1)=[NH+]C ZINC000303261228 644813095 /nfs/dbraw/zinc/81/30/95/644813095.db2.gz ODNRUCRYHQNWBJ-QWRGUYRKSA-N 1 3 226.368 0.902 20 30 BCEDHO CCN1CC[C@H]([N@H+](C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998480 646391237 /nfs/dbraw/zinc/39/12/37/646391237.db2.gz FHYDAPXOSGTRLM-UPJWGTAASA-N 1 3 239.363 0.923 20 30 BCEDHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998480 646391241 /nfs/dbraw/zinc/39/12/41/646391241.db2.gz FHYDAPXOSGTRLM-UPJWGTAASA-N 1 3 239.363 0.923 20 30 BCEDHO C=C(C)C[C@H](CO)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000925773118 646472780 /nfs/dbraw/zinc/47/27/80/646472780.db2.gz WWYUTZTZDIJOCK-QJPTWQEYSA-N 1 3 212.337 0.901 20 30 BCEDHO N#Cc1ccc(NCC[NH2+][C@H]2CCC[C@H]2N)nc1 ZINC000925892985 646535706 /nfs/dbraw/zinc/53/57/06/646535706.db2.gz JDSIQJGNYYGXCI-NEPJUHHUSA-N 1 3 245.330 0.835 20 30 BCEDHO C#CCN(C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000715769014 712532438 /nfs/dbraw/zinc/53/24/38/712532438.db2.gz MKPLXYIBGQEOQP-UHFFFAOYSA-N 1 3 249.358 0.154 20 30 BCEDHO C#CC[C@H](CO)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000717795726 712678346 /nfs/dbraw/zinc/67/83/46/712678346.db2.gz UUALOVDAGIRADL-QJPTWQEYSA-N 1 3 210.321 0.443 20 30 BCEDHO C#CC[C@H](CO)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000717795726 712678347 /nfs/dbraw/zinc/67/83/47/712678347.db2.gz UUALOVDAGIRADL-QJPTWQEYSA-N 1 3 210.321 0.443 20 30 BCEDHO C=C(C)CCNC[C@H](O)C[NH+]1CCCC1 ZINC000386746236 398219214 /nfs/dbraw/zinc/21/92/14/398219214.db2.gz ZQZIIEARPPYXEM-LBPRGKRZSA-N 1 3 212.337 0.999 20 30 BCEDHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CCCCC#N ZINC000602573445 349622889 /nfs/dbraw/zinc/62/28/89/349622889.db2.gz JRHLPXMGKZZUPD-HBNTYKKESA-N 1 3 238.335 0.264 20 30 BCEDHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H](N)CCCCC#N ZINC000602595617 349644097 /nfs/dbraw/zinc/64/40/97/349644097.db2.gz IYKNDSHLPIIRKA-VWYCJHECSA-N 1 3 238.335 0.346 20 30 BCEDHO C=CCN1CCC(NC(=O)C[NH2+]C2CC2)CC1 ZINC000236659429 343105544 /nfs/dbraw/zinc/10/55/44/343105544.db2.gz APHHVGOHZLDUHT-UHFFFAOYSA-N 1 3 237.347 0.505 20 30 BCEDHO CNC[C@](C)(O)C[NH+]1CCC(CCC#N)CC1 ZINC000563271145 323107211 /nfs/dbraw/zinc/10/72/11/323107211.db2.gz LXUBLYWKEDJTIB-ZDUSSCGKSA-N 1 3 239.363 0.973 20 30 BCEDHO CC(C)([NH3+])CNC(=O)[C@@H](N)CCCCC#N ZINC000594424395 348051092 /nfs/dbraw/zinc/05/10/92/348051092.db2.gz CQSHRFMOIIDXIJ-VIFPVBQESA-N 1 3 226.324 0.251 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000594425721 348051976 /nfs/dbraw/zinc/05/19/76/348051976.db2.gz MNRXBJQTZKBNCY-MNOVXSKESA-N 1 3 238.335 0.251 20 30 BCEDHO CN(C(=O)[C@@H](N)CCCCC#N)[C@@H]1CC[NH2+]C1 ZINC000594425622 348052162 /nfs/dbraw/zinc/05/21/62/348052162.db2.gz LPFVYJVULBIMNH-MNOVXSKESA-N 1 3 238.335 0.218 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000594438812 348054227 /nfs/dbraw/zinc/05/42/27/348054227.db2.gz LZOYWWCIIKVZBJ-GHMZBOCLSA-N 1 3 238.335 0.251 20 30 BCEDHO CN(CC(C)(C)[NH3+])C(=O)[C@H](N)CCCCC#N ZINC000595934971 348391853 /nfs/dbraw/zinc/39/18/53/348391853.db2.gz PMESAYMZTOXQRW-SNVBAGLBSA-N 1 3 240.351 0.593 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597531264 348757041 /nfs/dbraw/zinc/75/70/41/348757041.db2.gz BKRTZXSQUQPEKV-OPRDCNLKSA-N 1 3 209.293 0.745 20 30 BCEDHO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C)C#N ZINC000336687515 350960422 /nfs/dbraw/zinc/96/04/22/350960422.db2.gz LJGCYTKSZZOMLN-UWVGGRQHSA-N 1 3 211.309 0.991 20 30 BCEDHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(C)C#N ZINC000336687515 350960423 /nfs/dbraw/zinc/96/04/23/350960423.db2.gz LJGCYTKSZZOMLN-UWVGGRQHSA-N 1 3 211.309 0.991 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H](C)[NH2+]CC)CC1 ZINC000638100932 351981494 /nfs/dbraw/zinc/98/14/94/351981494.db2.gz ODMUZWCORHCCCZ-NSHDSACASA-N 1 3 239.363 0.751 20 30 BCEDHO C=CCNC(=O)[C@H](C)N1CCC[C@H](CC[NH3+])C1 ZINC000070170537 353255045 /nfs/dbraw/zinc/25/50/45/353255045.db2.gz QYXKUVZBZXDBEA-NWDGAFQWSA-N 1 3 239.363 0.738 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H](C)C[NH3+])CC1 ZINC000285867568 353546935 /nfs/dbraw/zinc/54/69/35/353546935.db2.gz ZPIVYEHMQBTBLR-JTQLQIEISA-N 1 3 225.336 0.348 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H](C)C[NH3+])CC1 ZINC000285867573 353547104 /nfs/dbraw/zinc/54/71/04/353547104.db2.gz ZPIVYEHMQBTBLR-SNVBAGLBSA-N 1 3 225.336 0.348 20 30 BCEDHO C#CCN(C)CCCNC(=O)/C=C/C[NH+](C)C ZINC000293937707 353765195 /nfs/dbraw/zinc/76/51/95/353765195.db2.gz ISBFORFLVUKKLJ-SOFGYWHQSA-N 1 3 237.347 0.176 20 30 BCEDHO CC(C#N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000346416514 354951636 /nfs/dbraw/zinc/95/16/36/354951636.db2.gz SKTMDBNFMGOEKS-VWYCJHECSA-N 1 3 223.320 0.945 20 30 BCEDHO CC(C#N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000346416514 354951640 /nfs/dbraw/zinc/95/16/40/354951640.db2.gz SKTMDBNFMGOEKS-VWYCJHECSA-N 1 3 223.320 0.945 20 30 BCEDHO C=CCN1CC[C@H](N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1=O ZINC000420309976 192210351 /nfs/dbraw/zinc/21/03/51/192210351.db2.gz PFGZGZHMRMANRS-RNJOBUHISA-N 1 3 249.358 0.442 20 30 BCEDHO C=CCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639762956 356687981 /nfs/dbraw/zinc/68/79/81/356687981.db2.gz OYJOTKOOGODISA-LBPRGKRZSA-N 1 3 212.337 0.951 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044826003 358556559 /nfs/dbraw/zinc/55/65/59/358556559.db2.gz ZGOWJQUMLVECOO-GMTAPVOTSA-N 1 3 221.304 0.889 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044826003 358556563 /nfs/dbraw/zinc/55/65/63/358556563.db2.gz ZGOWJQUMLVECOO-GMTAPVOTSA-N 1 3 221.304 0.889 20 30 BCEDHO C#CCNC(N[C@H]1CCN(C2CCCC2)C1)=[NH+]C ZINC000083512450 359796697 /nfs/dbraw/zinc/79/66/97/359796697.db2.gz FGBAXEKIWDWEBE-LBPRGKRZSA-N 1 3 248.374 0.802 20 30 BCEDHO C=CCn1cc(CN[C@@H](C)CCC[NH3+])nn1 ZINC000424386767 200927091 /nfs/dbraw/zinc/92/70/91/200927091.db2.gz XWYVOXXOAKZEAE-JTQLQIEISA-N 1 3 223.324 0.681 20 30 BCEDHO C=CCCCN1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000566571957 326065723 /nfs/dbraw/zinc/06/57/23/326065723.db2.gz IBSVDTFWBNFYAL-QWRGUYRKSA-N 1 3 223.320 0.196 20 30 BCEDHO CN(C(=O)[C@H](N)CCCC#N)[C@@H](C[NH3+])C1CC1 ZINC000424200936 206035986 /nfs/dbraw/zinc/03/59/86/206035986.db2.gz RPISUZUPXZWIMV-MNOVXSKESA-N 1 3 238.335 0.203 20 30 BCEDHO CN(CC#N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363460340 384062260 /nfs/dbraw/zinc/06/22/60/384062260.db2.gz BBFBVUFRDYPMPA-ZDUSSCGKSA-N 1 3 236.363 0.610 20 30 BCEDHO CC(C)[N@H+](C)CCCNC(=O)C(C)C#N ZINC000227770332 134394270 /nfs/dbraw/zinc/39/42/70/134394270.db2.gz SWKRJGRWPGQMPT-JTQLQIEISA-N 1 3 211.309 0.993 20 30 BCEDHO CC(C)[N@@H+](C)CCCNC(=O)C(C)C#N ZINC000227770332 134394272 /nfs/dbraw/zinc/39/42/72/134394272.db2.gz SWKRJGRWPGQMPT-JTQLQIEISA-N 1 3 211.309 0.993 20 30 BCEDHO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)C#N ZINC000300405494 384372133 /nfs/dbraw/zinc/37/21/33/384372133.db2.gz UDERGALEDBDLAI-ZJUUUORDSA-N 1 3 211.309 0.993 20 30 BCEDHO CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)C#N ZINC000300405494 384372136 /nfs/dbraw/zinc/37/21/36/384372136.db2.gz UDERGALEDBDLAI-ZJUUUORDSA-N 1 3 211.309 0.993 20 30 BCEDHO C[C@@H]1CCC[C@](CNC(N)=[NH2+])(N(C)C)C1 ZINC000203484998 385059354 /nfs/dbraw/zinc/05/93/54/385059354.db2.gz VUOLADOUNZMGAY-KOLCDFICSA-N 1 3 212.341 0.770 20 30 BCEDHO C=CCC[C@@H](CO)NC[C@@H](O)C[NH+]1CCCC1 ZINC000320613230 385409698 /nfs/dbraw/zinc/40/96/98/385409698.db2.gz HAYYIQFLONCWEG-QWHCGFSZSA-N 1 3 242.363 0.360 20 30 BCEDHO C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594449419 385601244 /nfs/dbraw/zinc/60/12/44/385601244.db2.gz IWRZHLUBOBNIHO-HBNTYKKESA-N 1 3 240.351 0.640 20 30 BCEDHO COCC[N@H+](C)CCCNC(=O)C(C)C#N ZINC000347069451 386215654 /nfs/dbraw/zinc/21/56/54/386215654.db2.gz MZSOSAFOJITNFK-JTQLQIEISA-N 1 3 227.308 0.231 20 30 BCEDHO COCC[N@@H+](C)CCCNC(=O)C(C)C#N ZINC000347069451 386215656 /nfs/dbraw/zinc/21/56/56/386215656.db2.gz MZSOSAFOJITNFK-JTQLQIEISA-N 1 3 227.308 0.231 20 30 BCEDHO CC[N@H+](CCNC(=O)C(C)C#N)C(C)C ZINC000347137801 386257870 /nfs/dbraw/zinc/25/78/70/386257870.db2.gz QHULGYZFZBKTJU-SNVBAGLBSA-N 1 3 211.309 0.993 20 30 BCEDHO CC[N@@H+](CCNC(=O)C(C)C#N)C(C)C ZINC000347137801 386257871 /nfs/dbraw/zinc/25/78/71/386257871.db2.gz QHULGYZFZBKTJU-SNVBAGLBSA-N 1 3 211.309 0.993 20 30 BCEDHO CC(C#N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124760 387267892 /nfs/dbraw/zinc/26/78/92/387267892.db2.gz JBQJWXOQMIKQIQ-JTQLQIEISA-N 1 3 223.320 0.946 20 30 BCEDHO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H](C)N1 ZINC000424070357 387475629 /nfs/dbraw/zinc/47/56/29/387475629.db2.gz AJBYLANULJJYDZ-AXFHLTTASA-N 1 3 238.335 0.216 20 30 BCEDHO N#CCCC[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000424074746 387478556 /nfs/dbraw/zinc/47/85/56/387478556.db2.gz HVRJFBXBWAWDKD-JTQLQIEISA-N 1 3 238.335 0.395 20 30 BCEDHO C[C@](C[NH3+])(NC(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424086035 387486557 /nfs/dbraw/zinc/48/65/57/387486557.db2.gz ZWDQNCYJGKFWHN-CMPLNLGQSA-N 1 3 238.335 0.251 20 30 BCEDHO C[NH+](C)C(C)(C)CNC(=O)[C@H](N)CCCC#N ZINC000424127125 387604068 /nfs/dbraw/zinc/60/40/68/387604068.db2.gz AOPZOTZOGSZXQO-SNVBAGLBSA-N 1 3 240.351 0.464 20 30 BCEDHO C[C@@H]1NCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C ZINC000424151029 387793097 /nfs/dbraw/zinc/79/30/97/387793097.db2.gz FESXIBHVRFNBDP-DCAQKATOSA-N 1 3 238.335 0.216 20 30 BCEDHO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000442763620 387835988 /nfs/dbraw/zinc/83/59/88/387835988.db2.gz BCMAPVSPUMNYHB-JHJVBQTASA-N 1 3 237.347 0.725 20 30 BCEDHO N#CCCC[C@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000424160158 387839068 /nfs/dbraw/zinc/83/90/68/387839068.db2.gz QROCEDJUXROMAR-MNOVXSKESA-N 1 3 238.335 0.266 20 30 BCEDHO N#CCCC[C@@H](N)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000424160156 387839793 /nfs/dbraw/zinc/83/97/93/387839793.db2.gz QROCEDJUXROMAR-GHMZBOCLSA-N 1 3 238.335 0.266 20 30 BCEDHO CN1CCC(O)(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442798367 387843384 /nfs/dbraw/zinc/84/33/84/387843384.db2.gz YPWUSWYECVBXJL-NEPJUHHUSA-N 1 3 237.347 0.725 20 30 BCEDHO CC[N@H+](C)CCNC(=O)[C@H](N)CCCC#N ZINC000424164529 387848640 /nfs/dbraw/zinc/84/86/40/387848640.db2.gz ZNMHGOLWBWLGCM-SNVBAGLBSA-N 1 3 226.324 0.075 20 30 BCEDHO CC[N@@H+](C)CCNC(=O)[C@H](N)CCCC#N ZINC000424164529 387848644 /nfs/dbraw/zinc/84/86/44/387848644.db2.gz ZNMHGOLWBWLGCM-SNVBAGLBSA-N 1 3 226.324 0.075 20 30 BCEDHO CC1(C)CN(C(=O)[C@@H]([NH3+])CCCC#N)CCN1 ZINC000424189662 387914168 /nfs/dbraw/zinc/91/41/68/387914168.db2.gz LCNYLZNSSSVAEM-JTQLQIEISA-N 1 3 238.335 0.218 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424219074 387936454 /nfs/dbraw/zinc/93/64/54/387936454.db2.gz ZEFBWZLOEFBQTP-OUAUKWLOSA-N 1 3 238.335 0.394 20 30 BCEDHO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)C#N ZINC000041680710 388174208 /nfs/dbraw/zinc/17/42/08/388174208.db2.gz ATZURLUATIXAHM-VHSXEESVSA-N 1 3 211.309 0.993 20 30 BCEDHO CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)C#N ZINC000516661569 256602666 /nfs/dbraw/zinc/60/26/66/256602666.db2.gz MHTXGUWUERBXOH-WDEREUQCSA-N 1 3 241.335 0.355 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368917792 134220805 /nfs/dbraw/zinc/22/08/05/134220805.db2.gz SJDWFSHZOIVOBE-MNOVXSKESA-N 1 3 238.335 0.150 20 30 BCEDHO C=CCNC(=O)[C@H](C)N1CCC(C[NH3+])CC1 ZINC000044514366 135226037 /nfs/dbraw/zinc/22/60/37/135226037.db2.gz MBCIIRIDEQZLCI-JTQLQIEISA-N 1 3 225.336 0.348 20 30 BCEDHO C=C[C@H](CO)[NH2+][C@@H](C)C1CCN(C)CC1 ZINC000308982221 487604223 /nfs/dbraw/zinc/60/42/23/487604223.db2.gz IOEOTCWHBOMACT-CMPLNLGQSA-N 1 3 212.337 0.853 20 30 BCEDHO C=C[C@H](CO)[NH2+][C@H](C)C1CCN(C)CC1 ZINC000308982225 487604507 /nfs/dbraw/zinc/60/45/07/487604507.db2.gz IOEOTCWHBOMACT-ZYHUDNBSSA-N 1 3 212.337 0.853 20 30 BCEDHO C=C[C@H](CO)[NH2+]CC[C@@H]1CCCCN1C ZINC000662166298 411997242 /nfs/dbraw/zinc/99/72/42/411997242.db2.gz ZKTHXZQNDHVEJX-NEPJUHHUSA-N 1 3 212.337 0.997 20 30 BCEDHO C=CCOCCN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+] ZINC000665275011 412219024 /nfs/dbraw/zinc/21/90/24/412219024.db2.gz ARXMVILDOLOWNM-IJLUTSLNSA-N 1 3 228.336 0.531 20 30 BCEDHO C=CCOCCN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+] ZINC000665275013 412219839 /nfs/dbraw/zinc/21/98/39/412219839.db2.gz ARXMVILDOLOWNM-SDDRHHMPSA-N 1 3 228.336 0.531 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000876541919 590212508 /nfs/dbraw/zinc/21/25/08/590212508.db2.gz MGBQTYJSIZVEPT-VIFPVBQESA-N 1 3 247.770 0.900 20 30 BCEDHO COCC#CCN1CCC(C[NH+](C)C)CC1 ZINC000677818820 488134228 /nfs/dbraw/zinc/13/42/28/488134228.db2.gz WJZSMJBQAQLLDX-UHFFFAOYSA-N 1 3 224.348 0.910 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC12CC2 ZINC000263066218 535550281 /nfs/dbraw/zinc/55/02/81/535550281.db2.gz OEKPPOGDSNGSLO-GHMZBOCLSA-N 1 3 236.363 0.928 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCF ZINC000262787085 535596472 /nfs/dbraw/zinc/59/64/72/535596472.db2.gz JVMKGDHGOAOEDV-VIFPVBQESA-N 1 3 216.304 0.345 20 30 BCEDHO CN(C)Cc1cccc(CNC(N)=[NH2+])c1 ZINC000264115679 536027884 /nfs/dbraw/zinc/02/78/84/536027884.db2.gz SPYUPZWAYCFMKM-UHFFFAOYSA-N 1 3 206.293 0.522 20 30 BCEDHO C=CCN(C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903747245 584794864 /nfs/dbraw/zinc/79/48/64/584794864.db2.gz QKZZBXTUHCQFDV-RYUDHWBXSA-N 1 3 210.321 0.873 20 30 BCEDHO C=C(C)C[N@H+](C)C[C@H](O)CN1CCCC1 ZINC000778232450 585728434 /nfs/dbraw/zinc/72/84/34/585728434.db2.gz ZKEBKZYAVFMVLF-LBPRGKRZSA-N 1 3 212.337 0.951 20 30 BCEDHO C=C(C)C[N@@H+](C)C[C@H](O)CN1CCCC1 ZINC000778232450 585728435 /nfs/dbraw/zinc/72/84/35/585728435.db2.gz ZKEBKZYAVFMVLF-LBPRGKRZSA-N 1 3 212.337 0.951 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000793835146 586027753 /nfs/dbraw/zinc/02/77/53/586027753.db2.gz NAFAWIXKFFGAEE-GFCCVEGCSA-N 1 3 241.379 0.949 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000793835146 586027754 /nfs/dbraw/zinc/02/77/54/586027754.db2.gz NAFAWIXKFFGAEE-GFCCVEGCSA-N 1 3 241.379 0.949 20 30 BCEDHO CC(=NNC(N)=[NH2+])c1ccc(CN(C)C)cc1 ZINC000814796930 586635003 /nfs/dbraw/zinc/63/50/03/586635003.db2.gz WWOBQEJEPAOIKN-UHFFFAOYSA-N 1 3 233.319 0.955 20 30 BCEDHO CNC(NCCCN1CCCO[C@H](C)C1)=[NH+]C ZINC000849022561 588439160 /nfs/dbraw/zinc/43/91/60/588439160.db2.gz JHLUCHGJRTULSN-LLVKDONJSA-N 1 3 242.367 0.282 20 30 BCEDHO CCCN1CCC[C@H]1CNC(NC)=[NH+]C ZINC000849027669 588441480 /nfs/dbraw/zinc/44/14/80/588441480.db2.gz CMGKBDNXZJOQRZ-JTQLQIEISA-N 1 3 212.341 0.656 20 30 BCEDHO C[C@H](C[NH+]=C(N(C)C)N(C)C)CN(C)C ZINC000849030679 588442740 /nfs/dbraw/zinc/44/27/40/588442740.db2.gz RVVCLQFPQFLWRQ-SNVBAGLBSA-N 1 3 214.357 0.663 20 30 BCEDHO C#CCOCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000852078246 588660392 /nfs/dbraw/zinc/66/03/92/588660392.db2.gz OCCRNPGTJGSBKS-CYBMUJFWSA-N 1 3 222.332 0.664 20 30 BCEDHO C#CCOCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000852078246 588660393 /nfs/dbraw/zinc/66/03/93/588660393.db2.gz OCCRNPGTJGSBKS-CYBMUJFWSA-N 1 3 222.332 0.664 20 30 BCEDHO CC1(C)CNCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852798527 588703729 /nfs/dbraw/zinc/70/37/29/588703729.db2.gz KWWLIRLYBZCWPV-UHFFFAOYSA-N 1 3 249.358 0.200 20 30 BCEDHO C[C@H]1NCCN(C(=O)C#CC2CC[NH2+]CC2)[C@H]1C ZINC000852878049 588710438 /nfs/dbraw/zinc/71/04/38/588710438.db2.gz GJHJEONJCUOALV-NEPJUHHUSA-N 1 3 249.358 0.198 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876500984 590202774 /nfs/dbraw/zinc/20/27/74/590202774.db2.gz LNSOXBQRNAJILI-BDAKNGLRSA-N 1 3 231.727 0.406 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876514926 590206389 /nfs/dbraw/zinc/20/63/89/590206389.db2.gz VMPDNNHPNRGOHN-UWVGGRQHSA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000876517933 590206962 /nfs/dbraw/zinc/20/69/62/590206962.db2.gz HHAFOEOWXMOYQT-NXEZZACHSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000876532066 590210429 /nfs/dbraw/zinc/21/04/29/590210429.db2.gz AWZOAGYYBVOLIZ-HGNGGELXSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000876532070 590210451 /nfs/dbraw/zinc/21/04/51/590210451.db2.gz AWZOAGYYBVOLIZ-QNSHHTMESA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CCC[NH3+] ZINC000876535898 590211161 /nfs/dbraw/zinc/21/11/61/590211161.db2.gz SMEYTVVDBWCMLP-MRVPVSSYSA-N 1 3 219.716 0.264 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000876728225 590233265 /nfs/dbraw/zinc/23/32/65/590233265.db2.gz YRNNGFBIBUVPAA-NXEZZACHSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000876728225 590233266 /nfs/dbraw/zinc/23/32/66/590233266.db2.gz YRNNGFBIBUVPAA-NXEZZACHSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000876728226 590233339 /nfs/dbraw/zinc/23/33/39/590233339.db2.gz YRNNGFBIBUVPAA-UWVGGRQHSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000876728226 590233340 /nfs/dbraw/zinc/23/33/40/590233340.db2.gz YRNNGFBIBUVPAA-UWVGGRQHSA-N 1 3 245.754 0.524 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000876788633 590240988 /nfs/dbraw/zinc/24/09/88/590240988.db2.gz PVJMMZJRDUFFJB-GUBZILKMSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[NH2+]CCC ZINC000876789509 590241579 /nfs/dbraw/zinc/24/15/79/590241579.db2.gz CMKNLEXHVJCOLS-SECBINFHSA-N 1 3 233.743 0.572 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN[C@H](C)[C@H]1C ZINC000876830914 590247351 /nfs/dbraw/zinc/24/73/51/590247351.db2.gz ALRCSZZWEIYLDK-BBBLOLIVSA-N 1 3 245.754 0.665 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000876913753 590256346 /nfs/dbraw/zinc/25/63/46/590256346.db2.gz KNYQQOVGRVLONP-VHSXEESVSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000876953123 590259920 /nfs/dbraw/zinc/25/99/20/590259920.db2.gz YQSIRJQGJCERED-UTLUCORTSA-N 1 3 245.754 0.795 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884364287 591916397 /nfs/dbraw/zinc/91/63/97/591916397.db2.gz PQBYLVQDORPZAM-CIUDSAMLSA-N 1 3 245.754 0.698 20 30 BCEDHO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2c[nH]cn2)C1 ZINC000989488258 636860207 /nfs/dbraw/zinc/86/02/07/636860207.db2.gz QOOPAICZGUFHPR-JQWIXIFHSA-N 1 3 248.330 0.717 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000911624265 639685137 /nfs/dbraw/zinc/68/51/37/639685137.db2.gz QTCQALHFONCUNK-QWRGUYRKSA-N 1 3 225.336 0.620 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N(C)C1CC[NH2+]CC1 ZINC000911692803 639727892 /nfs/dbraw/zinc/72/78/92/639727892.db2.gz XKCIQVFSTOKRIY-LBPRGKRZSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911697472 639733560 /nfs/dbraw/zinc/73/35/60/639733560.db2.gz CAFIICCSFYXJEV-ZJUUUORDSA-N 1 3 211.309 0.148 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713971 639739892 /nfs/dbraw/zinc/73/98/92/639739892.db2.gz NBVCXZXSSLONHK-RYUDHWBXSA-N 1 3 239.363 0.928 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739136 639764730 /nfs/dbraw/zinc/76/47/30/639764730.db2.gz QNPWRUQBSPHXFJ-QWRGUYRKSA-N 1 3 225.336 0.477 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739137 639765236 /nfs/dbraw/zinc/76/52/36/639765236.db2.gz QNPWRUQBSPHXFJ-WDEREUQCSA-N 1 3 225.336 0.477 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911751440 639777682 /nfs/dbraw/zinc/77/76/82/639777682.db2.gz JTRZRILEEXZKJI-QWRGUYRKSA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000911775324 639796445 /nfs/dbraw/zinc/79/64/45/639796445.db2.gz RHIHWIYQNFIQPW-NWDGAFQWSA-N 1 3 239.363 0.738 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000911761751 639801355 /nfs/dbraw/zinc/80/13/55/639801355.db2.gz GSNDKFMOJBOFSC-SECBINFHSA-N 1 3 213.325 0.524 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000911802355 639824372 /nfs/dbraw/zinc/82/43/72/639824372.db2.gz JECCBAGPXGJFPX-YPMHNXCESA-N 1 3 239.363 0.914 20 30 BCEDHO C#CC[NH2+]C1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000999834862 643740756 /nfs/dbraw/zinc/74/07/56/643740756.db2.gz YPMFLEFBIWFVSS-UHFFFAOYSA-N 1 3 249.358 0.294 20 30 BCEDHO C=CCN1CCC(NC(=O)CC[C@H](C)[NH3+])CC1 ZINC000193311858 644232602 /nfs/dbraw/zinc/23/26/02/644232602.db2.gz YCLLXFRHXQFLDC-NSHDSACASA-N 1 3 239.363 0.880 20 30 BCEDHO CN(C)C(=[NH+]CCNC(C)(C)C)N(C)C ZINC000304745514 644928031 /nfs/dbraw/zinc/92/80/31/644928031.db2.gz FEGVGQKQXWKRMG-UHFFFAOYSA-N 1 3 214.357 0.854 20 30 BCEDHO CCN1CC[C@@H]([N@H+](C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998479 646390624 /nfs/dbraw/zinc/39/06/24/646390624.db2.gz FHYDAPXOSGTRLM-JHJVBQTASA-N 1 3 239.363 0.923 20 30 BCEDHO CCN1CC[C@@H]([N@@H+](C)C[C@H](O)CC#N)[C@H](C)C1 ZINC000929998479 646390626 /nfs/dbraw/zinc/39/06/26/646390626.db2.gz FHYDAPXOSGTRLM-JHJVBQTASA-N 1 3 239.363 0.923 20 30 BCEDHO N#Cc1ccc(NCC[NH2+][C@@H]2CCC[C@H]2N)nc1 ZINC000925892988 646535482 /nfs/dbraw/zinc/53/54/82/646535482.db2.gz JDSIQJGNYYGXCI-VXGBXAGGSA-N 1 3 245.330 0.835 20 30 BCEDHO C=CCNC(=O)CN(C)CCCCCC[NH3+] ZINC000710749142 712255605 /nfs/dbraw/zinc/25/56/05/712255605.db2.gz GQVZGAZNTZOICJ-UHFFFAOYSA-N 1 3 227.352 0.740 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC1([NH3+])CCC1 ZINC000876795369 712629547 /nfs/dbraw/zinc/62/95/47/712629547.db2.gz OCFGHZGDJVTQHB-MRVPVSSYSA-N 1 3 231.727 0.454 20 30 BCEDHO C=CC[C@@H](C)N1CCC([NH2+]CCO)CC1 ZINC000715003922 712503857 /nfs/dbraw/zinc/50/38/57/712503857.db2.gz XYXSUNXCNZNLKD-LLVKDONJSA-N 1 3 212.337 0.997 20 30 BCEDHO C[C@H](CCC#N)C[NH2+]CC1(O)CCN(C)CC1 ZINC000602555760 349597145 /nfs/dbraw/zinc/59/71/45/349597145.db2.gz OWEWJQTUWXGOKX-GFCCVEGCSA-N 1 3 239.363 0.973 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600312355 343245846 /nfs/dbraw/zinc/24/58/46/343245846.db2.gz FRROSWBJTSCQFX-MNOVXSKESA-N 1 3 223.320 0.994 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600312355 343245847 /nfs/dbraw/zinc/24/58/47/343245847.db2.gz FRROSWBJTSCQFX-MNOVXSKESA-N 1 3 223.320 0.994 20 30 BCEDHO CC(C#N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396486426 347027803 /nfs/dbraw/zinc/02/78/03/347027803.db2.gz MNHOGPVTCSRVJD-UWVGGRQHSA-N 1 3 223.320 0.993 20 30 BCEDHO C=CCNC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000383878388 349927511 /nfs/dbraw/zinc/92/75/11/349927511.db2.gz QZUSPWBXXUHAFY-TXEJJXNPSA-N 1 3 237.347 0.220 20 30 BCEDHO C=CCNC(=O)[C@@H](C)N1CCC(CC[NH3+])CC1 ZINC000070188109 349965353 /nfs/dbraw/zinc/96/53/53/349965353.db2.gz BCNSBUOIXJYYKS-LLVKDONJSA-N 1 3 239.363 0.738 20 30 BCEDHO CC[NH+]1CCC(NC(=O)C(C)C#N)CC1 ZINC000345820582 365922519 /nfs/dbraw/zinc/92/25/19/365922519.db2.gz URBKCZNYGVMBPR-SECBINFHSA-N 1 3 209.293 0.747 20 30 BCEDHO CC(C)(C[NH3+])NC(=O)[C@H](N)CCCCC#N ZINC000594426645 348053203 /nfs/dbraw/zinc/05/32/03/348053203.db2.gz QGDZYIOSBBOSPD-SECBINFHSA-N 1 3 226.324 0.251 20 30 BCEDHO C[C@H](C[NH3+])CNC(=O)[C@@H](N)CCCCC#N ZINC000594438227 348054210 /nfs/dbraw/zinc/05/42/10/348054210.db2.gz HWVKUVIAZXZURE-ZJUUUORDSA-N 1 3 226.324 0.109 20 30 BCEDHO CC[C@H]([NH3+])CNC(=O)[C@@H](N)CCCCC#N ZINC000594444412 348055505 /nfs/dbraw/zinc/05/55/05/348055505.db2.gz RMPJDKISRZYBLZ-UWVGGRQHSA-N 1 3 226.324 0.251 20 30 BCEDHO C[C@@H](CCNC(=O)[C@H](N)CCCC#N)[NH+](C)C ZINC000595936347 348408812 /nfs/dbraw/zinc/40/88/12/348408812.db2.gz BHCHNDYZIUUCEP-WDEREUQCSA-N 1 3 240.351 0.464 20 30 BCEDHO C[N@H+](CCc1ccc(C#N)cc1)C[C@@H](O)CN ZINC000595892662 348391007 /nfs/dbraw/zinc/39/10/07/348391007.db2.gz OAGIHNBUSVSREO-ZDUSSCGKSA-N 1 3 233.315 0.352 20 30 BCEDHO C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H](O)CN ZINC000595892662 348391008 /nfs/dbraw/zinc/39/10/08/348391008.db2.gz OAGIHNBUSVSREO-ZDUSSCGKSA-N 1 3 233.315 0.352 20 30 BCEDHO CN(CC(C)(C)[NH3+])C(=O)[C@H](N)CCCC#N ZINC000595934227 348394027 /nfs/dbraw/zinc/39/40/27/348394027.db2.gz LGWKYRYICZIBOT-SECBINFHSA-N 1 3 226.324 0.203 20 30 BCEDHO C=CCCC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000531360470 348423573 /nfs/dbraw/zinc/42/35/73/348423573.db2.gz LAZJVQQIZRHFTL-UHFFFAOYSA-N 1 3 241.379 0.904 20 30 BCEDHO CC(C#N)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000597573732 348762316 /nfs/dbraw/zinc/76/23/16/348762316.db2.gz HXZVCCLQUBHREO-PWSUYJOCSA-N 1 3 239.319 0.061 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000192111201 353542444 /nfs/dbraw/zinc/54/24/44/353542444.db2.gz DYGFJEVTXSWUFO-MNOVXSKESA-N 1 3 239.363 0.736 20 30 BCEDHO C=CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000344040613 354106202 /nfs/dbraw/zinc/10/62/02/354106202.db2.gz VQRBAKNSWXXBRB-UHFFFAOYSA-N 1 3 213.369 0.988 20 30 BCEDHO C=CC[N@H+](C)CCCN(C)CCN(C)C ZINC000344040613 354106204 /nfs/dbraw/zinc/10/62/04/354106204.db2.gz VQRBAKNSWXXBRB-UHFFFAOYSA-N 1 3 213.369 0.988 20 30 BCEDHO CC(C#N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000346416511 354951473 /nfs/dbraw/zinc/95/14/73/354951473.db2.gz SKTMDBNFMGOEKS-MXWKQRLJSA-N 1 3 223.320 0.945 20 30 BCEDHO CC(C#N)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000346416511 354951477 /nfs/dbraw/zinc/95/14/77/354951477.db2.gz SKTMDBNFMGOEKS-MXWKQRLJSA-N 1 3 223.320 0.945 20 30 BCEDHO C=CCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639762955 356687836 /nfs/dbraw/zinc/68/78/36/356687836.db2.gz OYJOTKOOGODISA-GFCCVEGCSA-N 1 3 212.337 0.951 20 30 BCEDHO CC(C)[NH2+]CCCNC(=O)[C@H](N)CCCC#N ZINC000580443123 359551639 /nfs/dbraw/zinc/55/16/39/359551639.db2.gz JJJWMJUNAANKRS-LLVKDONJSA-N 1 3 240.351 0.512 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000424079660 200857535 /nfs/dbraw/zinc/85/75/35/200857535.db2.gz RMKJWYLNJDAHNR-OUAUKWLOSA-N 1 3 238.335 0.251 20 30 BCEDHO N#Cc1ccc(CNCCN2CC[NH2+]CC2)o1 ZINC000600769533 369563621 /nfs/dbraw/zinc/56/36/21/369563621.db2.gz NXSTVLFGPNRWJC-UHFFFAOYSA-N 1 3 234.303 0.146 20 30 BCEDHO CN(C(=O)[C@@H](N)CCCC#N)[C@@H](C[NH3+])C1CC1 ZINC000424200937 206034845 /nfs/dbraw/zinc/03/48/45/206034845.db2.gz RPISUZUPXZWIMV-QWRGUYRKSA-N 1 3 238.335 0.203 20 30 BCEDHO C#CCCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000267425496 532999615 /nfs/dbraw/zinc/99/96/15/532999615.db2.gz LIKCGXKLTXFAEF-LLVKDONJSA-N 1 3 222.336 0.398 20 30 BCEDHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)C#N ZINC000300405492 384372976 /nfs/dbraw/zinc/37/29/76/384372976.db2.gz UDERGALEDBDLAI-NXEZZACHSA-N 1 3 211.309 0.993 20 30 BCEDHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C#N ZINC000300405492 384372984 /nfs/dbraw/zinc/37/29/84/384372984.db2.gz UDERGALEDBDLAI-NXEZZACHSA-N 1 3 211.309 0.993 20 30 BCEDHO CN(C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000170905078 385454201 /nfs/dbraw/zinc/45/42/01/385454201.db2.gz UVUNNOOUQXSPFW-UHFFFAOYSA-N 1 3 221.308 0.760 20 30 BCEDHO COCC[N@H+](C)CCCNC(=O)C(C)C#N ZINC000347069456 386215732 /nfs/dbraw/zinc/21/57/32/386215732.db2.gz MZSOSAFOJITNFK-SNVBAGLBSA-N 1 3 227.308 0.231 20 30 BCEDHO COCC[N@@H+](C)CCCNC(=O)C(C)C#N ZINC000347069456 386215736 /nfs/dbraw/zinc/21/57/36/386215736.db2.gz MZSOSAFOJITNFK-SNVBAGLBSA-N 1 3 227.308 0.231 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000347076507 386217345 /nfs/dbraw/zinc/21/73/45/386217345.db2.gz SVNDKIQDAOWVHD-SCZZXKLOSA-N 1 3 209.293 0.602 20 30 BCEDHO C=C(CC)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000313487466 387389456 /nfs/dbraw/zinc/38/94/56/387389456.db2.gz DQIAOYRNVROEPF-GFCCVEGCSA-N 1 3 212.337 0.999 20 30 BCEDHO CC(C)[C@@](C)(C[NH3+])NC(=O)[C@H](N)CCCC#N ZINC000424080064 387479727 /nfs/dbraw/zinc/47/97/27/387479727.db2.gz SCOVIZCVHBYEIZ-ZYHUDNBSSA-N 1 3 240.351 0.497 20 30 BCEDHO C[C@@](C[NH3+])(NC(=O)[C@@H](N)CCCC#N)C1CC1 ZINC000424086037 387486303 /nfs/dbraw/zinc/48/63/03/387486303.db2.gz ZWDQNCYJGKFWHN-JQWIXIFHSA-N 1 3 238.335 0.251 20 30 BCEDHO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424152572 387799488 /nfs/dbraw/zinc/79/94/88/387799488.db2.gz INKWNXIAJGKYOV-QWRGUYRKSA-N 1 3 240.351 0.464 20 30 BCEDHO C=CCC[C@@H](O)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193631785 387859791 /nfs/dbraw/zinc/85/97/91/387859791.db2.gz HWGZLOJENOTKDB-FRRDWIJNSA-N 1 3 224.348 0.807 20 30 BCEDHO C=CCC[C@@H](O)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193631785 387859796 /nfs/dbraw/zinc/85/97/96/387859796.db2.gz HWGZLOJENOTKDB-FRRDWIJNSA-N 1 3 224.348 0.807 20 30 BCEDHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000424154230 387816002 /nfs/dbraw/zinc/81/60/02/387816002.db2.gz JHILJWKEXQULAP-GMTAPVOTSA-N 1 3 238.335 0.122 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044828087 387944101 /nfs/dbraw/zinc/94/41/01/387944101.db2.gz IXBPGSINFCQQKJ-NXEZZACHSA-N 1 3 209.293 0.604 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000044828087 387944104 /nfs/dbraw/zinc/94/41/04/387944104.db2.gz IXBPGSINFCQQKJ-NXEZZACHSA-N 1 3 209.293 0.604 20 30 BCEDHO C#CCNC(=O)CC[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000491676600 388310132 /nfs/dbraw/zinc/31/01/32/388310132.db2.gz OTIXKDOHEAQWCW-GFCCVEGCSA-N 1 3 249.358 0.200 20 30 BCEDHO C#CCNC(=O)CCNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491676600 388310133 /nfs/dbraw/zinc/31/01/33/388310133.db2.gz OTIXKDOHEAQWCW-GFCCVEGCSA-N 1 3 249.358 0.200 20 30 BCEDHO C#CCNC(=O)CCNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000491676600 388310134 /nfs/dbraw/zinc/31/01/34/388310134.db2.gz OTIXKDOHEAQWCW-GFCCVEGCSA-N 1 3 249.358 0.200 20 30 BCEDHO C#C[C@@H](CC)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000262546614 533236161 /nfs/dbraw/zinc/23/61/61/533236161.db2.gz STOTUXZIRRWNMM-NWDGAFQWSA-N 1 3 236.363 0.787 20 30 BCEDHO CC#CCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000262027750 135114569 /nfs/dbraw/zinc/11/45/69/135114569.db2.gz NSIXKSKLMDPWJK-LLVKDONJSA-N 1 3 222.336 0.398 20 30 BCEDHO C[C@@H]1C[NH+]=C(NCC(C)(C)CN(C)C)N1 ZINC000261531940 135161501 /nfs/dbraw/zinc/16/15/01/135161501.db2.gz ILMBLVQBNNXDPT-SECBINFHSA-N 1 3 212.341 0.512 20 30 BCEDHO C[C@@H]1C[NH+]=C(NCCNc2ccncc2)N1 ZINC000262637368 135310195 /nfs/dbraw/zinc/31/01/95/135310195.db2.gz HBOPNDPSSDSAPP-SECBINFHSA-N 1 3 219.292 0.431 20 30 BCEDHO CC#CC[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000334367683 135374825 /nfs/dbraw/zinc/37/48/25/135374825.db2.gz RJLZCODQLNMFPT-LSDHHAIUSA-N 1 3 249.402 0.968 20 30 BCEDHO CC#CC[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000334367683 135374826 /nfs/dbraw/zinc/37/48/26/135374826.db2.gz RJLZCODQLNMFPT-LSDHHAIUSA-N 1 3 249.402 0.968 20 30 BCEDHO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCN1C ZINC000491508167 398045474 /nfs/dbraw/zinc/04/54/74/398045474.db2.gz YPOUPNFIROJWTB-LBPRGKRZSA-N 1 3 237.347 0.152 20 30 BCEDHO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCN1C ZINC000491508167 398045476 /nfs/dbraw/zinc/04/54/76/398045476.db2.gz YPOUPNFIROJWTB-LBPRGKRZSA-N 1 3 237.347 0.152 20 30 BCEDHO C=CCC[C@@H](CO)NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000320666471 323182935 /nfs/dbraw/zinc/18/29/35/323182935.db2.gz RMUSPVJGTJZYOA-AAEUAGOBSA-N 1 3 242.363 0.358 20 30 BCEDHO C=CCC[C@@H](CO)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000320666471 323182936 /nfs/dbraw/zinc/18/29/36/323182936.db2.gz RMUSPVJGTJZYOA-AAEUAGOBSA-N 1 3 242.363 0.358 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@H](CC)N1CCCC1 ZINC000066245278 534520658 /nfs/dbraw/zinc/52/06/58/534520658.db2.gz WYXXOBQJXCWWIF-NSHDSACASA-N 1 3 224.352 0.951 20 30 BCEDHO C=C(CN(C)C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000854723703 588802277 /nfs/dbraw/zinc/80/22/77/588802277.db2.gz FRBMBJIQVUHQCV-UHFFFAOYSA-N 1 3 225.336 0.124 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000855415656 588831970 /nfs/dbraw/zinc/83/19/70/588831970.db2.gz LMKAGDFNICKIRL-NSHDSACASA-N 1 3 227.352 0.561 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000856073573 588859687 /nfs/dbraw/zinc/85/96/87/588859687.db2.gz SPQMCGSIPDDMAZ-LBPRGKRZSA-N 1 3 239.363 0.705 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000856073573 588859688 /nfs/dbraw/zinc/85/96/88/588859688.db2.gz SPQMCGSIPDDMAZ-LBPRGKRZSA-N 1 3 239.363 0.705 20 30 BCEDHO CC(C#N)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898163289 584088304 /nfs/dbraw/zinc/08/83/04/584088304.db2.gz MNGZCLJSGGSANO-GARJFASQSA-N 1 3 221.304 0.556 20 30 BCEDHO CC(C#N)C(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000898163289 584088305 /nfs/dbraw/zinc/08/83/05/584088305.db2.gz MNGZCLJSGGSANO-GARJFASQSA-N 1 3 221.304 0.556 20 30 BCEDHO C=C(CC[NH+](C)C)C(=O)NCCN(C)C1CC1 ZINC000900366553 584296897 /nfs/dbraw/zinc/29/68/97/584296897.db2.gz CEOXBVJRYSTDTC-UHFFFAOYSA-N 1 3 239.363 0.705 20 30 BCEDHO C=C(CN(C)C)C(=O)NCCC[NH+](C)C ZINC000763898587 585456475 /nfs/dbraw/zinc/45/64/75/585456475.db2.gz DZCIVCZQKNSUOC-UHFFFAOYSA-N 1 3 213.325 0.172 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000798276846 586142165 /nfs/dbraw/zinc/14/21/65/586142165.db2.gz JNLBYDSCDHTFEW-UHFFFAOYSA-N 1 3 241.379 0.808 20 30 BCEDHO C[NH+](C)CC1CCN(C[C@H](O)CC#N)CC1 ZINC000809571777 586507200 /nfs/dbraw/zinc/50/72/00/586507200.db2.gz BRKXMUPFEJTYFN-GFCCVEGCSA-N 1 3 225.336 0.535 20 30 BCEDHO O=C(C#CC1CC[NH2+]CC1)NCCN1CCCC1 ZINC000852854968 588708431 /nfs/dbraw/zinc/70/84/31/588708431.db2.gz CWUIBYZRMZVPRJ-UHFFFAOYSA-N 1 3 249.358 0.201 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508096 590205191 /nfs/dbraw/zinc/20/51/91/590205191.db2.gz IIWCSRALKPQOML-DTWKUNHWSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000876513254 590206164 /nfs/dbraw/zinc/20/61/64/590206164.db2.gz JFLKXDMRSAJDMR-UWVGGRQHSA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000876514925 590206620 /nfs/dbraw/zinc/20/66/20/590206620.db2.gz VMPDNNHPNRGOHN-NXEZZACHSA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000876517934 590206831 /nfs/dbraw/zinc/20/68/31/590206831.db2.gz HHAFOEOWXMOYQT-UWVGGRQHSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000876517936 590207151 /nfs/dbraw/zinc/20/71/51/590207151.db2.gz HHAFOEOWXMOYQT-ZJUUUORDSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC1(C[NH3+])CCCC1 ZINC000876529466 590209847 /nfs/dbraw/zinc/20/98/47/590209847.db2.gz DJDQOYCALNVHAM-VIFPVBQESA-N 1 3 245.754 0.844 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000876532447 590210210 /nfs/dbraw/zinc/21/02/10/590210210.db2.gz HEUYEXGVWMGLKC-NXEZZACHSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000876827082 590246925 /nfs/dbraw/zinc/24/69/25/590246925.db2.gz LJZADJRUANDJJS-SECBINFHSA-N 1 3 245.754 0.796 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000876860664 590250499 /nfs/dbraw/zinc/25/04/99/590250499.db2.gz GWVAVGMGYASXJO-FXQIFTODSA-N 1 3 219.716 0.308 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000876916676 590256828 /nfs/dbraw/zinc/25/68/28/590256828.db2.gz XXJOUUYVUCMGRX-BDAKNGLRSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)CC(C)(C)[NH3+] ZINC000876957770 590260793 /nfs/dbraw/zinc/26/07/93/590260793.db2.gz GJOQSCULAPBQFQ-MRVPVSSYSA-N 1 3 233.743 0.652 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000876967064 590262512 /nfs/dbraw/zinc/26/25/12/590262512.db2.gz BGMYCPBDUAMZLT-YUCVTWSNSA-N 1 3 243.738 0.406 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876980523 590264768 /nfs/dbraw/zinc/26/47/68/590264768.db2.gz IGQAYKLBSONWSV-WPRPVWTQSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877244929 590303003 /nfs/dbraw/zinc/30/30/03/590303003.db2.gz VRQZEPACWOXXHV-CIUDSAMLSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884364289 591916559 /nfs/dbraw/zinc/91/65/59/591916559.db2.gz PQBYLVQDORPZAM-XHNCKOQMSA-N 1 3 245.754 0.698 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884364288 591916593 /nfs/dbraw/zinc/91/65/93/591916593.db2.gz PQBYLVQDORPZAM-DJLDLDEBSA-N 1 3 245.754 0.698 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)N(C)C)C1 ZINC001019033349 633152503 /nfs/dbraw/zinc/15/25/03/633152503.db2.gz KLBARDGRUSLNQU-NWDGAFQWSA-N 1 3 237.347 0.150 20 30 BCEDHO C[C@@H]1[NH2+]CCC[C@@H]1NC1CCN(CC#N)CC1 ZINC000925609211 634145695 /nfs/dbraw/zinc/14/56/95/634145695.db2.gz QOPPBABYQGMADF-AAEUAGOBSA-N 1 3 236.363 0.704 20 30 BCEDHO C[C@H]1[NH2+]CCC[C@@H]1NC1CCN(CC#N)CC1 ZINC000925609214 634147009 /nfs/dbraw/zinc/14/70/09/634147009.db2.gz QOPPBABYQGMADF-YPMHNXCESA-N 1 3 236.363 0.704 20 30 BCEDHO C=CC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)CN)C1 ZINC000904477360 637427319 /nfs/dbraw/zinc/42/73/19/637427319.db2.gz USSSHSFVRAFRSA-NSHDSACASA-N 1 3 239.363 0.738 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NCC1CC[NH2+]CC1 ZINC000911672010 639700402 /nfs/dbraw/zinc/70/04/02/639700402.db2.gz INUJMNZCKACKRB-GFCCVEGCSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911656437 639712743 /nfs/dbraw/zinc/71/27/43/639712743.db2.gz NKICNIIQLBIMMJ-MNOVXSKESA-N 1 3 225.336 0.490 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708069 639759790 /nfs/dbraw/zinc/75/97/90/639759790.db2.gz TZYGKYHJUCOISO-RYUDHWBXSA-N 1 3 239.363 0.867 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000911752144 639780095 /nfs/dbraw/zinc/78/00/95/639780095.db2.gz LRHOECAPYHKXDZ-NSHDSACASA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000911761752 639801781 /nfs/dbraw/zinc/80/17/81/639801781.db2.gz GSNDKFMOJBOFSC-VIFPVBQESA-N 1 3 213.325 0.524 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911811405 639832430 /nfs/dbraw/zinc/83/24/30/639832430.db2.gz ACRSGJBIAGDUGX-VHSXEESVSA-N 1 3 213.325 0.476 20 30 BCEDHO C#CCOCCN1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000931442073 640207496 /nfs/dbraw/zinc/20/74/96/640207496.db2.gz TWKGWTKXOLSYGS-OLZOCXBDSA-N 1 3 222.332 0.520 20 30 BCEDHO C#CCOCCN1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1 ZINC000931442073 640207498 /nfs/dbraw/zinc/20/74/98/640207498.db2.gz TWKGWTKXOLSYGS-OLZOCXBDSA-N 1 3 222.332 0.520 20 30 BCEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000962560776 642731082 /nfs/dbraw/zinc/73/10/82/642731082.db2.gz WYRVHMOFZSXCOG-NDBYEHHHSA-N 1 3 249.358 0.171 20 30 BCEDHO C=CCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000962560776 642731088 /nfs/dbraw/zinc/73/10/88/642731088.db2.gz WYRVHMOFZSXCOG-NDBYEHHHSA-N 1 3 249.358 0.171 20 30 BCEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010370606 642861756 /nfs/dbraw/zinc/86/17/56/642861756.db2.gz ZAVYTWBMJRIPBK-NWDGAFQWSA-N 1 3 237.347 0.457 20 30 BCEDHO C=CCN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001010370606 642861753 /nfs/dbraw/zinc/86/17/53/642861753.db2.gz ZAVYTWBMJRIPBK-NWDGAFQWSA-N 1 3 237.347 0.457 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001018962459 643015989 /nfs/dbraw/zinc/01/59/89/643015989.db2.gz CUDGRNDPEQDYDU-LBPRGKRZSA-N 1 3 249.358 0.294 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001018971549 643016179 /nfs/dbraw/zinc/01/61/79/643016179.db2.gz GLKIESVYIXJYFL-LBPRGKRZSA-N 1 3 249.358 0.294 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001018965302 643016477 /nfs/dbraw/zinc/01/64/77/643016477.db2.gz ZNJDGROTHRHMBY-QWHCGFSZSA-N 1 3 249.358 0.150 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@@H]2C)C1 ZINC001019380850 643029724 /nfs/dbraw/zinc/02/97/24/643029724.db2.gz OJRGJZGOMAXWDB-STQMWFEESA-N 1 3 249.358 0.294 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC001019380849 643029849 /nfs/dbraw/zinc/02/98/49/643029849.db2.gz OJRGJZGOMAXWDB-OLZOCXBDSA-N 1 3 249.358 0.294 20 30 BCEDHO C=CCN1CCC(NC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000193311871 644232647 /nfs/dbraw/zinc/23/26/47/644232647.db2.gz YCLLXFRHXQFLDC-LLVKDONJSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCC[C@H](O)CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000923291800 644328423 /nfs/dbraw/zinc/32/84/23/644328423.db2.gz UONHXDFCHAHXDA-SDDRHHMPSA-N 1 3 212.337 0.983 20 30 BCEDHO C=CCC[C@H](O)CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000923291803 644329154 /nfs/dbraw/zinc/32/91/54/644329154.db2.gz UONHXDFCHAHXDA-SRVKXCTJSA-N 1 3 212.337 0.983 20 30 BCEDHO C=CCNC(=O)CN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923504004 644475130 /nfs/dbraw/zinc/47/51/30/644475130.db2.gz NTBAHZDDHCHMQL-WDEREUQCSA-N 1 3 225.336 0.205 20 30 BCEDHO CNC(NC[C@H](C)N1CCC[C@@H](C)C1)=[NH+]C ZINC000303261226 644813216 /nfs/dbraw/zinc/81/32/16/644813216.db2.gz ODNRUCRYHQNWBJ-MNOVXSKESA-N 1 3 226.368 0.902 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303696815 644839168 /nfs/dbraw/zinc/83/91/68/644839168.db2.gz FHUHUKPALRQZFN-QWRGUYRKSA-N 1 3 242.367 0.410 20 30 BCEDHO CCN1CC[C@H]([N@H+](C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998481 646390341 /nfs/dbraw/zinc/39/03/41/646390341.db2.gz FHYDAPXOSGTRLM-XQQFMLRXSA-N 1 3 239.363 0.923 20 30 BCEDHO CCN1CC[C@H]([N@@H+](C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998481 646390347 /nfs/dbraw/zinc/39/03/47/646390347.db2.gz FHYDAPXOSGTRLM-XQQFMLRXSA-N 1 3 239.363 0.923 20 30 BCEDHO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001023024671 711609096 /nfs/dbraw/zinc/60/90/96/711609096.db2.gz DXHIKXPVSNYEAL-PHIMTYICSA-N 1 3 248.330 0.683 20 30 BCEDHO C#CC[C@H](CO)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717795724 712678075 /nfs/dbraw/zinc/67/80/75/712678075.db2.gz UUALOVDAGIRADL-IJLUTSLNSA-N 1 3 210.321 0.443 20 30 BCEDHO C#CC[C@H](CO)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717795724 712678077 /nfs/dbraw/zinc/67/80/77/712678077.db2.gz UUALOVDAGIRADL-IJLUTSLNSA-N 1 3 210.321 0.443 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000602172803 349459710 /nfs/dbraw/zinc/45/97/10/349459710.db2.gz PXFNJDMTWPUHTA-BBBLOLIVSA-N 1 3 223.320 0.991 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000062079193 136271973 /nfs/dbraw/zinc/27/19/73/136271973.db2.gz HBVKDQNCWBWFAO-MNOVXSKESA-N 1 3 223.320 0.994 20 30 BCEDHO CNC(=[NH2+])NCC1CCN(c2ccncc2)CC1 ZINC000179712352 346994019 /nfs/dbraw/zinc/99/40/19/346994019.db2.gz HEKXMXGLVNVHJA-UHFFFAOYSA-N 1 3 247.346 0.832 20 30 BCEDHO C[N@@H+]1CC[C@](O)(CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000309553801 347099856 /nfs/dbraw/zinc/09/98/56/347099856.db2.gz JBFHXLYYSRFDEK-SRVKXCTJSA-N 1 3 223.320 0.335 20 30 BCEDHO C[N@H+]1CC[C@](O)(CN[C@H]2CC[C@H](C#N)C2)C1 ZINC000309553801 347099858 /nfs/dbraw/zinc/09/98/58/347099858.db2.gz JBFHXLYYSRFDEK-SRVKXCTJSA-N 1 3 223.320 0.335 20 30 BCEDHO C[C@H](C[NH3+])N(C)C(=O)[C@H](N)CCCCC#N ZINC000594424296 348051440 /nfs/dbraw/zinc/05/14/40/348051440.db2.gz AFKQHPIEWFESCQ-NXEZZACHSA-N 1 3 226.324 0.203 20 30 BCEDHO C[NH+](C)CCCNC(=O)[C@@H](N)CCCCC#N ZINC000594445372 348055481 /nfs/dbraw/zinc/05/54/81/348055481.db2.gz DQNNVKOUWKZPMR-NSHDSACASA-N 1 3 240.351 0.466 20 30 BCEDHO C[NH2+]CCCN(C)C(=O)[C@H](N)CCCCC#N ZINC000594449963 348057545 /nfs/dbraw/zinc/05/75/45/348057545.db2.gz QAPLOCCGVQEPRU-LLVKDONJSA-N 1 3 240.351 0.466 20 30 BCEDHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H](N)CCCCC#N ZINC000594450224 348057589 /nfs/dbraw/zinc/05/75/89/348057589.db2.gz VBBZRRRIFUJJCT-DCAQKATOSA-N 1 3 238.335 0.346 20 30 BCEDHO CC(C)(CC[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594450211 348057606 /nfs/dbraw/zinc/05/76/06/348057606.db2.gz UJGDYNQZIGHMEP-JTQLQIEISA-N 1 3 240.351 0.641 20 30 BCEDHO C[C@H](CCNC(=O)[C@H](N)CCCC#N)[NH+](C)C ZINC000595936343 348409031 /nfs/dbraw/zinc/40/90/31/348409031.db2.gz BHCHNDYZIUUCEP-GHMZBOCLSA-N 1 3 240.351 0.464 20 30 BCEDHO CC(C#N)C(=O)NCC12CCC[NH+]1CCC2 ZINC000597587418 348758823 /nfs/dbraw/zinc/75/88/23/348758823.db2.gz SYCHYDZJLMQPBE-JTQLQIEISA-N 1 3 221.304 0.891 20 30 BCEDHO CC(C#N)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000597573733 348762361 /nfs/dbraw/zinc/76/23/61/348762361.db2.gz HXZVCCLQUBHREO-ZYHUDNBSSA-N 1 3 239.319 0.061 20 30 BCEDHO C=C(C)CNC(=[NH2+])NC[C@H](C)CN(C)C ZINC000291806580 352289997 /nfs/dbraw/zinc/28/99/97/352289997.db2.gz BCDSQAQHEWXWJR-JTQLQIEISA-N 1 3 212.341 0.665 20 30 BCEDHO CCN(CCC[NH+](C)C)C(=O)C(C)C#N ZINC000230420695 363311359 /nfs/dbraw/zinc/31/13/59/363311359.db2.gz CWJUKJZEXPKUTR-JTQLQIEISA-N 1 3 211.309 0.946 20 30 BCEDHO C#CCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000378314679 134245817 /nfs/dbraw/zinc/24/58/17/134245817.db2.gz HWBMJWOAMJNPEA-GJZGRUSLSA-N 1 3 249.402 0.968 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044826005 358556940 /nfs/dbraw/zinc/55/69/40/358556940.db2.gz ZGOWJQUMLVECOO-OUAUKWLOSA-N 1 3 221.304 0.889 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000044826005 358556941 /nfs/dbraw/zinc/55/69/41/358556941.db2.gz ZGOWJQUMLVECOO-OUAUKWLOSA-N 1 3 221.304 0.889 20 30 BCEDHO C=CCC[C@@H](O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000308942839 491140849 /nfs/dbraw/zinc/14/08/49/491140849.db2.gz QYWYOSKQPSBOHG-GRYCIOLGSA-N 1 3 210.321 0.465 20 30 BCEDHO CN(C(=O)[C@@H](N)CCCC#N)[C@H](C[NH3+])C1CC1 ZINC000424200941 206034994 /nfs/dbraw/zinc/03/49/94/206034994.db2.gz RPISUZUPXZWIMV-WDEREUQCSA-N 1 3 238.335 0.203 20 30 BCEDHO CC(C)(C)[C@@H](C[NH3+])NC(=O)[C@@H](N)CCCC#N ZINC000424192475 206035196 /nfs/dbraw/zinc/03/51/96/206035196.db2.gz IXWYVGGYXJDAKW-VHSXEESVSA-N 1 3 240.351 0.497 20 30 BCEDHO C#CCCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000267425497 532998673 /nfs/dbraw/zinc/99/86/73/532998673.db2.gz LIKCGXKLTXFAEF-NSHDSACASA-N 1 3 222.336 0.398 20 30 BCEDHO C=CCN1CCC(NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236659704 384546200 /nfs/dbraw/zinc/54/62/00/384546200.db2.gz JONJOIWQQMXWLO-LLVKDONJSA-N 1 3 237.347 0.363 20 30 BCEDHO CN(C)CCOCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309835868 384866264 /nfs/dbraw/zinc/86/62/64/384866264.db2.gz BAHBQTHHGRYCII-VXGBXAGGSA-N 1 3 225.336 0.846 20 30 BCEDHO C=CCC[C@@H](CO)NC[C@H](O)C[NH+]1CCCC1 ZINC000320613231 385409622 /nfs/dbraw/zinc/40/96/22/385409622.db2.gz HAYYIQFLONCWEG-STQMWFEESA-N 1 3 242.363 0.360 20 30 BCEDHO C#CCNC(=O)CCN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491674946 385460684 /nfs/dbraw/zinc/46/06/84/385460684.db2.gz STSJQYNQWMGPBW-VXGBXAGGSA-N 1 3 237.347 0.198 20 30 BCEDHO C#CCNC(=O)CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000491674946 385460687 /nfs/dbraw/zinc/46/06/87/385460687.db2.gz STSJQYNQWMGPBW-VXGBXAGGSA-N 1 3 237.347 0.198 20 30 BCEDHO CC[N@@H+]1CCC[C@H](CNC(=O)C(C)C#N)C1 ZINC000347031202 386223515 /nfs/dbraw/zinc/22/35/15/386223515.db2.gz DYDARVURFJWKGE-WDEREUQCSA-N 1 3 223.320 0.994 20 30 BCEDHO CC[N@H+]1CCC[C@H](CNC(=O)C(C)C#N)C1 ZINC000347031202 386223519 /nfs/dbraw/zinc/22/35/19/386223519.db2.gz DYDARVURFJWKGE-WDEREUQCSA-N 1 3 223.320 0.994 20 30 BCEDHO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](N)CCCC#N ZINC000424078833 387481152 /nfs/dbraw/zinc/48/11/52/387481152.db2.gz QICJNZQPRORYPO-MNOVXSKESA-N 1 3 238.335 0.218 20 30 BCEDHO C[C@H](CNC(=O)[C@H](N)CCCC#N)[NH+](C)C ZINC000424152128 387799477 /nfs/dbraw/zinc/79/94/77/387799477.db2.gz IKQYJYQOQMCXGH-NXEZZACHSA-N 1 3 226.324 0.074 20 30 BCEDHO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)CN1 ZINC000424156350 387821954 /nfs/dbraw/zinc/82/19/54/387821954.db2.gz OYXXVKVOLCRIHQ-GMTAPVOTSA-N 1 3 238.335 0.216 20 30 BCEDHO C#C[C@@H](C)N(C)CCOCC[N@H+](C)[C@H](C)C#C ZINC000491673341 388309739 /nfs/dbraw/zinc/30/97/39/388309739.db2.gz UMQXYVNRHULNAG-ZIAGYGMSSA-N 1 3 236.359 0.910 20 30 BCEDHO C#C[C@@H](C)N(C)CCOCC[N@@H+](C)[C@H](C)C#C ZINC000491673341 388309740 /nfs/dbraw/zinc/30/97/40/388309740.db2.gz UMQXYVNRHULNAG-ZIAGYGMSSA-N 1 3 236.359 0.910 20 30 BCEDHO C#CCNC(=O)CC[NH2+]CCCN(CC)CC ZINC000491804258 388321739 /nfs/dbraw/zinc/32/17/39/388321739.db2.gz LKLGMNRWUKNPTO-UHFFFAOYSA-N 1 3 239.363 0.447 20 30 BCEDHO N#CCCC[C@@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000572723691 388368439 /nfs/dbraw/zinc/36/84/39/388368439.db2.gz VLQGEORZQWTXBP-LLVKDONJSA-N 1 3 238.335 0.266 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368917793 134220765 /nfs/dbraw/zinc/22/07/65/134220765.db2.gz SJDWFSHZOIVOBE-QWRGUYRKSA-N 1 3 238.335 0.150 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227323771 134377577 /nfs/dbraw/zinc/37/75/77/134377577.db2.gz KJAGUKUXIZCUHQ-KXUCPTDWSA-N 1 3 209.293 0.745 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000227323771 134377578 /nfs/dbraw/zinc/37/75/78/134377578.db2.gz KJAGUKUXIZCUHQ-KXUCPTDWSA-N 1 3 209.293 0.745 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252660647 135094163 /nfs/dbraw/zinc/09/41/63/135094163.db2.gz BMAALPHBTLHCEC-VWYCJHECSA-N 1 3 221.304 0.889 20 30 BCEDHO CC(C#N)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252660647 135094165 /nfs/dbraw/zinc/09/41/65/135094165.db2.gz BMAALPHBTLHCEC-VWYCJHECSA-N 1 3 221.304 0.889 20 30 BCEDHO CN/C(=[NH+]/C)N1CC[C@@H](N2CCCCC2)C1 ZINC000262435529 135297055 /nfs/dbraw/zinc/29/70/55/135297055.db2.gz GFZKIBUFNXBLCI-LLVKDONJSA-N 1 3 224.352 0.752 20 30 BCEDHO C[C@@H]1CN(C(=[NH2+])NCCNC(C)(C)C)CCO1 ZINC000262469259 135301017 /nfs/dbraw/zinc/30/10/17/135301017.db2.gz OKFXGHBSUSMFAD-SNVBAGLBSA-N 1 3 242.367 0.410 20 30 BCEDHO CCCN1CCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262639553 135310229 /nfs/dbraw/zinc/31/02/29/135310229.db2.gz HKUPQSKOSOKYDM-MNOVXSKESA-N 1 3 224.352 0.798 20 30 BCEDHO C#CCNC(=O)CCN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491674944 398059799 /nfs/dbraw/zinc/05/97/99/398059799.db2.gz STSJQYNQWMGPBW-NWDGAFQWSA-N 1 3 237.347 0.198 20 30 BCEDHO C#CCNC(=O)CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000491674944 398059803 /nfs/dbraw/zinc/05/98/03/398059803.db2.gz STSJQYNQWMGPBW-NWDGAFQWSA-N 1 3 237.347 0.198 20 30 BCEDHO C=CCN(CCN1CC[NH2+]CC1)[C@H](C)COC ZINC000662299835 412086993 /nfs/dbraw/zinc/08/69/93/412086993.db2.gz YFGRQQSSUXNZQQ-CYBMUJFWSA-N 1 3 241.379 0.415 20 30 BCEDHO C=CCOCCC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)N ZINC000665263385 412205659 /nfs/dbraw/zinc/20/56/59/412205659.db2.gz LNNCUTXUNDVYTC-RWMBFGLXSA-N 1 3 242.363 0.921 20 30 BCEDHO C#CC[NH+]1CCC(C(=O)N2CC(N(C)C)C2)CC1 ZINC000134995857 325387356 /nfs/dbraw/zinc/38/73/56/325387356.db2.gz WQLJXEGWMIUNAX-UHFFFAOYSA-N 1 3 249.358 0.104 20 30 BCEDHO N#CCCC1CCN(CCOCC[NH3+])CC1 ZINC000567895408 326278456 /nfs/dbraw/zinc/27/84/56/326278456.db2.gz HJIIXIFOSXBIJJ-UHFFFAOYSA-N 1 3 225.336 0.977 20 30 BCEDHO C[NH+]=C(NCC1=CCN(C)CC1)NC1CC1 ZINC000263192245 536304601 /nfs/dbraw/zinc/30/46/01/536304601.db2.gz ZAAUBCDHOSFLJG-UHFFFAOYSA-N 1 3 222.336 0.576 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@H]1CCCN1CC ZINC000066244974 534519360 /nfs/dbraw/zinc/51/93/60/534519360.db2.gz BKDLORPQHWCVHF-SNVBAGLBSA-N 1 3 210.325 0.561 20 30 BCEDHO C#CC[N@@H+](C)CCCNC(=O)[C@@H](CC)N(C)C ZINC000491668985 526820315 /nfs/dbraw/zinc/82/03/15/526820315.db2.gz UECHDLBNKQHXKV-GFCCVEGCSA-N 1 3 239.363 0.398 20 30 BCEDHO C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)N(C)C ZINC000491668985 526820320 /nfs/dbraw/zinc/82/03/20/526820320.db2.gz UECHDLBNKQHXKV-GFCCVEGCSA-N 1 3 239.363 0.398 20 30 BCEDHO C#CC[N@@H+](C)CCCNC(=O)[C@H](CC)N(C)C ZINC000491668986 526823619 /nfs/dbraw/zinc/82/36/19/526823619.db2.gz UECHDLBNKQHXKV-LBPRGKRZSA-N 1 3 239.363 0.398 20 30 BCEDHO C#CC[N@H+](C)CCCNC(=O)[C@H](CC)N(C)C ZINC000491668986 526823622 /nfs/dbraw/zinc/82/36/22/526823622.db2.gz UECHDLBNKQHXKV-LBPRGKRZSA-N 1 3 239.363 0.398 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCC(F)F ZINC000262501243 535597950 /nfs/dbraw/zinc/59/79/50/535597950.db2.gz ZDQVFMLGMIGYJG-QMMMGPOBSA-N 1 3 234.294 0.640 20 30 BCEDHO CN(C)C[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000338995830 535944279 /nfs/dbraw/zinc/94/42/79/535944279.db2.gz IAFCMLXCHCUHKU-LBPRGKRZSA-N 1 3 225.336 0.800 20 30 BCEDHO CN(C)C[C@@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000338995830 535944284 /nfs/dbraw/zinc/94/42/84/535944284.db2.gz IAFCMLXCHCUHKU-LBPRGKRZSA-N 1 3 225.336 0.800 20 30 BCEDHO CN1CCC[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852862114 583021061 /nfs/dbraw/zinc/02/10/61/583021061.db2.gz TUPXCXIKGZSFEP-ZDUSSCGKSA-N 1 3 249.358 0.200 20 30 BCEDHO CN(C[C@H](O)C[NH3+])CC1CCC(C#N)CC1 ZINC000903454055 584772556 /nfs/dbraw/zinc/77/25/56/584772556.db2.gz STTAMVXYWIVHGF-HTAVTVPLSA-N 1 3 225.336 0.568 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000764478677 585466311 /nfs/dbraw/zinc/46/63/11/585466311.db2.gz IRFHTVCSRVGFAM-LLVKDONJSA-N 1 3 239.363 0.703 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000764478677 585466312 /nfs/dbraw/zinc/46/63/12/585466312.db2.gz IRFHTVCSRVGFAM-LLVKDONJSA-N 1 3 239.363 0.703 20 30 BCEDHO C#CCCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000774728411 585664183 /nfs/dbraw/zinc/66/41/83/585664183.db2.gz MKPRNMGYUYSIOT-UHFFFAOYSA-N 1 3 237.391 0.968 20 30 BCEDHO C#CCCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000774728411 585664184 /nfs/dbraw/zinc/66/41/84/585664184.db2.gz MKPRNMGYUYSIOT-UHFFFAOYSA-N 1 3 237.391 0.968 20 30 BCEDHO C[C@H]1CNC(NN=C2CCN(C)[C@H](C)C2)=[NH+]1 ZINC000779794148 585764366 /nfs/dbraw/zinc/76/43/66/585764366.db2.gz CZKCKTARZOCARL-DTWKUNHWSA-N 1 3 223.324 0.394 20 30 BCEDHO C[C@@H]1CNC(NN=C2CCN(C)[C@@H](C)C2)=[NH+]1 ZINC000779794146 585764450 /nfs/dbraw/zinc/76/44/50/585764450.db2.gz CZKCKTARZOCARL-BDAKNGLRSA-N 1 3 223.324 0.394 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000816832007 586766982 /nfs/dbraw/zinc/76/69/82/586766982.db2.gz MPVSDEYVCLLRCP-SNVBAGLBSA-N 1 3 227.352 0.418 20 30 BCEDHO C=C(CN(C)C)C(=O)NCCC[NH+]1CCCC1 ZINC000822230037 587159120 /nfs/dbraw/zinc/15/91/20/587159120.db2.gz QFQLGIQLETVSRU-UHFFFAOYSA-N 1 3 239.363 0.706 20 30 BCEDHO C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](C)CN1 ZINC000852874136 588709903 /nfs/dbraw/zinc/70/99/03/588709903.db2.gz HZEPDKBSTSYMPP-RYUDHWBXSA-N 1 3 249.358 0.198 20 30 BCEDHO C[C@@H]1CN[C@@H](C)CN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852874135 588709947 /nfs/dbraw/zinc/70/99/47/588709947.db2.gz HZEPDKBSTSYMPP-NWDGAFQWSA-N 1 3 249.358 0.198 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC[NH2+]CC1 ZINC000876506701 590204529 /nfs/dbraw/zinc/20/45/29/590204529.db2.gz YHDUYHYPJGGURE-VIFPVBQESA-N 1 3 231.727 0.278 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC[NH2+]C ZINC000876507822 590205126 /nfs/dbraw/zinc/20/51/26/590205126.db2.gz ONGDJCXRPFPMLO-MRVPVSSYSA-N 1 3 219.716 0.182 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000876515817 590206342 /nfs/dbraw/zinc/20/63/42/590206342.db2.gz XZGIMEHQPJGCRH-VHSXEESVSA-N 1 3 245.754 0.796 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH3+])C1 ZINC000876516536 590206424 /nfs/dbraw/zinc/20/64/24/590206424.db2.gz BMPSTSQQTYVENG-YUMQZZPRSA-N 1 3 217.700 0.016 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000876515819 590206517 /nfs/dbraw/zinc/20/65/17/590206517.db2.gz XZGIMEHQPJGCRH-ZJUUUORDSA-N 1 3 245.754 0.796 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000876514927 590206745 /nfs/dbraw/zinc/20/67/45/590206745.db2.gz VMPDNNHPNRGOHN-VHSXEESVSA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000876525659 590208473 /nfs/dbraw/zinc/20/84/73/590208473.db2.gz MSGFNULSZXRXBH-UWVGGRQHSA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000876534097 590210665 /nfs/dbraw/zinc/21/06/65/590210665.db2.gz OEXBRLHHUPIMIL-RKDXNWHRSA-N 1 3 233.743 0.556 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000876534353 590210722 /nfs/dbraw/zinc/21/07/22/590210722.db2.gz AYZWWTHSXGAUDQ-MWLCHTKSSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000876748814 590236944 /nfs/dbraw/zinc/23/69/44/590236944.db2.gz HUALSJMUZMNSBF-SNVBAGLBSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000876748814 590236946 /nfs/dbraw/zinc/23/69/46/590236946.db2.gz HUALSJMUZMNSBF-SNVBAGLBSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000876813859 590245474 /nfs/dbraw/zinc/24/54/74/590245474.db2.gz XVKGFAIMJKMISF-UJNFCWOMSA-N 1 3 245.754 0.571 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000876840866 590248384 /nfs/dbraw/zinc/24/83/84/590248384.db2.gz YSGCYTZOGWMENA-GXSJLCMTSA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000876840868 590248576 /nfs/dbraw/zinc/24/85/76/590248576.db2.gz YSGCYTZOGWMENA-MWLCHTKSSA-N 1 3 245.754 0.654 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876856395 590250063 /nfs/dbraw/zinc/25/00/63/590250063.db2.gz NSLRLUINHBIRCG-CIUDSAMLSA-N 1 3 249.717 0.273 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000876869349 590251602 /nfs/dbraw/zinc/25/16/02/590251602.db2.gz DTUBAEAYBJLOLJ-AEJSXWLSSA-N 1 3 245.754 0.700 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000876913751 590256374 /nfs/dbraw/zinc/25/63/74/590256374.db2.gz KNYQQOVGRVLONP-NXEZZACHSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000876913754 590256380 /nfs/dbraw/zinc/25/63/80/590256380.db2.gz KNYQQOVGRVLONP-ZJUUUORDSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCCC1(C[NH3+])CC1 ZINC000876949172 590259785 /nfs/dbraw/zinc/25/97/85/590259785.db2.gz ZUMRURHAQXPXMV-SECBINFHSA-N 1 3 245.754 0.702 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000876953122 590259974 /nfs/dbraw/zinc/25/99/74/590259974.db2.gz YQSIRJQGJCERED-GUBZILKMSA-N 1 3 245.754 0.795 20 30 BCEDHO C[C@@H]([NH3+])CN(C)C(=O)[C@@H](N)CCCCC#N ZINC000877104202 590284225 /nfs/dbraw/zinc/28/42/25/590284225.db2.gz FBFMGBQXXHFVLJ-ZJUUUORDSA-N 1 3 226.324 0.203 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000877173011 590293885 /nfs/dbraw/zinc/29/38/85/590293885.db2.gz WWEBCZOYUBFTMS-VGMNWLOBSA-N 1 3 231.727 0.404 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000877173010 590294200 /nfs/dbraw/zinc/29/42/00/590294200.db2.gz WWEBCZOYUBFTMS-HLTSFMKQSA-N 1 3 231.727 0.404 20 30 BCEDHO C#CCN(CCOC)CC1CC[NH+](C)CC1 ZINC000879123346 590698890 /nfs/dbraw/zinc/69/88/90/590698890.db2.gz DYNFVBKCBNFWEE-UHFFFAOYSA-N 1 3 224.348 0.910 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987518667 636650297 /nfs/dbraw/zinc/65/02/97/636650297.db2.gz MRGLRWUBMXLZOM-QWHCGFSZSA-N 1 3 249.358 0.294 20 30 BCEDHO C#CC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)[C@H]1C ZINC000987518668 636651713 /nfs/dbraw/zinc/65/17/13/636651713.db2.gz MRGLRWUBMXLZOM-STQMWFEESA-N 1 3 249.358 0.294 20 30 BCEDHO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989797521 636881335 /nfs/dbraw/zinc/88/13/35/636881335.db2.gz YIXIUPZOENZGIU-CHWSQXEVSA-N 1 3 249.358 0.294 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911624264 639685625 /nfs/dbraw/zinc/68/56/25/639685625.db2.gz QTCQALHFONCUNK-MNOVXSKESA-N 1 3 225.336 0.620 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911708068 639760401 /nfs/dbraw/zinc/76/04/01/639760401.db2.gz TZYGKYHJUCOISO-NWDGAFQWSA-N 1 3 239.363 0.867 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NCC[NH2+]C1CC1 ZINC000911752143 639780038 /nfs/dbraw/zinc/78/00/38/639780038.db2.gz LRHOECAPYHKXDZ-LLVKDONJSA-N 1 3 225.336 0.538 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000911802354 639824693 /nfs/dbraw/zinc/82/46/93/639824693.db2.gz JECCBAGPXGJFPX-WCQYABFASA-N 1 3 239.363 0.914 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000911851437 639857897 /nfs/dbraw/zinc/85/78/97/639857897.db2.gz JCADCQQBIMTMOR-GHMZBOCLSA-N 1 3 225.336 0.620 20 30 BCEDHO C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC000939212575 642859292 /nfs/dbraw/zinc/85/92/92/642859292.db2.gz YZQINKCHQFAYKM-CMPLNLGQSA-N 1 3 248.330 0.575 20 30 BCEDHO C=CC[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC000939212578 642859469 /nfs/dbraw/zinc/85/94/69/642859469.db2.gz YZQINKCHQFAYKM-ZYHUDNBSSA-N 1 3 248.330 0.575 20 30 BCEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001016248625 642950961 /nfs/dbraw/zinc/95/09/61/642950961.db2.gz CGUAALGCDRLMSR-STQMWFEESA-N 1 3 249.358 0.152 20 30 BCEDHO C#CCCN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001016248625 642950970 /nfs/dbraw/zinc/95/09/70/642950970.db2.gz CGUAALGCDRLMSR-STQMWFEESA-N 1 3 249.358 0.152 20 30 BCEDHO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC000970103570 643294625 /nfs/dbraw/zinc/29/46/25/643294625.db2.gz PLDMUKQBOUHGRB-LLVKDONJSA-N 1 3 248.330 0.719 20 30 BCEDHO CC(C)NC(=[NH2+])NCCNC(C)(C)C ZINC000304736975 643591578 /nfs/dbraw/zinc/59/15/78/643591578.db2.gz AIZSUKMFZQOWPO-UHFFFAOYSA-N 1 3 200.330 0.687 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303696816 644838847 /nfs/dbraw/zinc/83/88/47/644838847.db2.gz FHUHUKPALRQZFN-WDEREUQCSA-N 1 3 242.367 0.410 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000877048817 645788757 /nfs/dbraw/zinc/78/87/57/645788757.db2.gz AHUQXFRJGKJDAV-BBBLOLIVSA-N 1 3 245.754 0.713 20 30 BCEDHO CN(C)[C@@H]1[C@H]2C[N@H+](CCOCCC#N)C[C@H]21 ZINC000385777683 711761498 /nfs/dbraw/zinc/76/14/98/711761498.db2.gz BTDGGPAXGZRNSR-GDNZZTSVSA-N 1 3 223.320 0.408 20 30 BCEDHO CN(C)[C@@H]1[C@H]2C[N@@H+](CCOCCC#N)C[C@H]21 ZINC000385777683 711761500 /nfs/dbraw/zinc/76/15/00/711761500.db2.gz BTDGGPAXGZRNSR-GDNZZTSVSA-N 1 3 223.320 0.408 20 30 BCEDHO C#CC1(O)CC[NH+](CC[C@H]2CCCN2C)CC1 ZINC000708099962 712181199 /nfs/dbraw/zinc/18/11/99/712181199.db2.gz AKQOHBDPOJTJCB-CYBMUJFWSA-N 1 3 236.359 0.931 20 30 BCEDHO CC#CC[C@H](CO)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717824349 712681742 /nfs/dbraw/zinc/68/17/42/712681742.db2.gz XGQVYMLHCMSEKJ-FRRDWIJNSA-N 1 3 224.348 0.833 20 30 BCEDHO CC#CC[C@H](CO)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717824349 712681743 /nfs/dbraw/zinc/68/17/43/712681743.db2.gz XGQVYMLHCMSEKJ-FRRDWIJNSA-N 1 3 224.348 0.833 20 30 BCEDHO C[C@@H]1CC[C@H](NC(=O)[C@@H](N)CCCC#N)C[NH2+]1 ZINC000602554715 349596056 /nfs/dbraw/zinc/59/60/56/349596056.db2.gz OEKSKGXCTZAHRB-VWYCJHECSA-N 1 3 238.335 0.264 20 30 BCEDHO CC(C#N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000078724259 136273146 /nfs/dbraw/zinc/27/31/46/136273146.db2.gz GLRKKLOZXBXAHE-NXEZZACHSA-N 1 3 209.293 0.699 20 30 BCEDHO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000600737489 344365489 /nfs/dbraw/zinc/36/54/89/344365489.db2.gz BCMAPVSPUMNYHB-YNEHKIRRSA-N 1 3 237.347 0.725 20 30 BCEDHO C[N@@H+]1CC[C@](O)(CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000309553802 347099429 /nfs/dbraw/zinc/09/94/29/347099429.db2.gz JBFHXLYYSRFDEK-TUAOUCFPSA-N 1 3 223.320 0.335 20 30 BCEDHO C[N@H+]1CC[C@](O)(CN[C@@H]2CC[C@H](C#N)C2)C1 ZINC000309553802 347099433 /nfs/dbraw/zinc/09/94/33/347099433.db2.gz JBFHXLYYSRFDEK-TUAOUCFPSA-N 1 3 223.320 0.335 20 30 BCEDHO N#CCCC[C@@H](N)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591677581 347685298 /nfs/dbraw/zinc/68/52/98/347685298.db2.gz NWSDGECRGAEONP-GHMZBOCLSA-N 1 3 238.335 0.266 20 30 BCEDHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](N)CCCCC#N ZINC000594426943 348043827 /nfs/dbraw/zinc/04/38/27/348043827.db2.gz RXMZYWYWTAUQNB-MNOVXSKESA-N 1 3 240.351 0.497 20 30 BCEDHO CN(CCC[NH3+])C(=O)[C@@H](N)CCCCC#N ZINC000594427011 348043849 /nfs/dbraw/zinc/04/38/49/348043849.db2.gz SEFTXICIPXWRBB-JTQLQIEISA-N 1 3 226.324 0.205 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000594426125 348051883 /nfs/dbraw/zinc/05/18/83/348051883.db2.gz NMGBUTZJMAGFFD-GHMZBOCLSA-N 1 3 238.335 0.347 20 30 BCEDHO N#CCCCC[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000594425722 348052355 /nfs/dbraw/zinc/05/23/55/348052355.db2.gz MNRXBJQTZKBNCY-QWRGUYRKSA-N 1 3 238.335 0.251 20 30 BCEDHO N#CCCCC[C@@H](N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000594426652 348053102 /nfs/dbraw/zinc/05/31/02/348053102.db2.gz QMCXMFKZERSYEJ-WDEREUQCSA-N 1 3 238.335 0.266 20 30 BCEDHO C[C@H](CC[NH3+])NC(=O)[C@@H](N)CCCCC#N ZINC000594438084 348053910 /nfs/dbraw/zinc/05/39/10/348053910.db2.gz GCMYDHQXDYABDQ-ZJUUUORDSA-N 1 3 226.324 0.251 20 30 BCEDHO C[C@@H](C[NH3+])CNC(=O)[C@H](N)CCCCC#N ZINC000594438225 348054267 /nfs/dbraw/zinc/05/42/67/348054267.db2.gz HWVKUVIAZXZURE-VHSXEESVSA-N 1 3 226.324 0.109 20 30 BCEDHO CC[NH2+][C@H](C)CNC(=O)[C@H](N)CCCCC#N ZINC000594442734 348054950 /nfs/dbraw/zinc/05/49/50/348054950.db2.gz UBBBDLXNINLVBH-GHMZBOCLSA-N 1 3 240.351 0.512 20 30 BCEDHO C[N@H+](CCc1ccc(C#N)cc1)C[C@H](O)CN ZINC000595892660 348390936 /nfs/dbraw/zinc/39/09/36/348390936.db2.gz OAGIHNBUSVSREO-CYBMUJFWSA-N 1 3 233.315 0.352 20 30 BCEDHO C[N@@H+](CCc1ccc(C#N)cc1)C[C@H](O)CN ZINC000595892660 348390937 /nfs/dbraw/zinc/39/09/37/348390937.db2.gz OAGIHNBUSVSREO-CYBMUJFWSA-N 1 3 233.315 0.352 20 30 BCEDHO CC(C)[C@H]([NH3+])CCNC(=O)[C@@H](N)CCCC#N ZINC000595951995 348403614 /nfs/dbraw/zinc/40/36/14/348403614.db2.gz VHLNABUEKGTKHU-MNOVXSKESA-N 1 3 240.351 0.497 20 30 BCEDHO CC(C#N)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000227515827 350499109 /nfs/dbraw/zinc/49/91/09/350499109.db2.gz KZNCYEWDRPOKSN-SNVBAGLBSA-N 1 3 223.320 0.994 20 30 BCEDHO CCCCNC(=[NH2+])NCC1=CCN(C)CC1 ZINC000271824762 351439284 /nfs/dbraw/zinc/43/92/84/351439284.db2.gz PQXLFOJRUZZDBA-UHFFFAOYSA-N 1 3 224.352 0.953 20 30 BCEDHO CC(C#N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000044826239 358556516 /nfs/dbraw/zinc/55/65/16/358556516.db2.gz UHWHWZJHOHHBHD-JTQLQIEISA-N 1 3 223.320 0.946 20 30 BCEDHO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(N)C2)C1=O ZINC000621784136 370535591 /nfs/dbraw/zinc/53/55/91/370535591.db2.gz KKMYEOCYDNLIRU-OBJOEFQTSA-N 1 3 249.358 0.587 20 30 BCEDHO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCC[C@]3(N)C2)C1=O ZINC000621784136 370535594 /nfs/dbraw/zinc/53/55/94/370535594.db2.gz KKMYEOCYDNLIRU-OBJOEFQTSA-N 1 3 249.358 0.587 20 30 BCEDHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H](N)CCCC#N ZINC000424192477 206035291 /nfs/dbraw/zinc/03/52/91/206035291.db2.gz IXWYVGGYXJDAKW-ZJUUUORDSA-N 1 3 240.351 0.497 20 30 BCEDHO CC(C#N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000078724255 384078478 /nfs/dbraw/zinc/07/84/78/384078478.db2.gz GLRKKLOZXBXAHE-ZJUUUORDSA-N 1 3 209.293 0.699 20 30 BCEDHO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)C#N ZINC000227633578 134389334 /nfs/dbraw/zinc/38/93/34/134389334.db2.gz UDERGALEDBDLAI-VHSXEESVSA-N 1 3 211.309 0.993 20 30 BCEDHO CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C#N ZINC000227633578 134389336 /nfs/dbraw/zinc/38/93/36/134389336.db2.gz UDERGALEDBDLAI-VHSXEESVSA-N 1 3 211.309 0.993 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335569910 384330739 /nfs/dbraw/zinc/33/07/39/384330739.db2.gz KFLQXSKLHUQMJS-PWSUYJOCSA-N 1 3 221.304 0.700 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000335569910 384330744 /nfs/dbraw/zinc/33/07/44/384330744.db2.gz KFLQXSKLHUQMJS-PWSUYJOCSA-N 1 3 221.304 0.700 20 30 BCEDHO CC[NH+](CC)CC[C@H](CO)NC(=O)C(C)C#N ZINC000516661566 385053522 /nfs/dbraw/zinc/05/35/22/385053522.db2.gz MHTXGUWUERBXOH-GHMZBOCLSA-N 1 3 241.335 0.355 20 30 BCEDHO CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000347031201 386222638 /nfs/dbraw/zinc/22/26/38/386222638.db2.gz DYDARVURFJWKGE-QWRGUYRKSA-N 1 3 223.320 0.994 20 30 BCEDHO CC[N@H+]1CCC[C@@H](CNC(=O)C(C)C#N)C1 ZINC000347031201 386222646 /nfs/dbraw/zinc/22/26/46/386222646.db2.gz DYDARVURFJWKGE-QWRGUYRKSA-N 1 3 223.320 0.994 20 30 BCEDHO CCCC[C@@H](C[NH3+])NC(=O)[C@H](N)CCCC#N ZINC000424075949 387478667 /nfs/dbraw/zinc/47/86/67/387478667.db2.gz KOFPPAFGGQVFKQ-WDEREUQCSA-N 1 3 240.351 0.641 20 30 BCEDHO CC(C)[C@@H]([NH3+])CNC(=O)[C@H](N)CCCC#N ZINC000424078821 387479997 /nfs/dbraw/zinc/47/99/97/387479997.db2.gz QGOOXPYOIBDAGL-ZJUUUORDSA-N 1 3 226.324 0.107 20 30 BCEDHO CC(C)[C@@H]([NH3+])CNC(=O)[C@@H](N)CCCC#N ZINC000424078819 387480888 /nfs/dbraw/zinc/48/08/88/387480888.db2.gz QGOOXPYOIBDAGL-UWVGGRQHSA-N 1 3 226.324 0.107 20 30 BCEDHO C[C@H](CNC(=O)[C@@H](N)CCCC#N)[NH+](C)C ZINC000424152131 387799388 /nfs/dbraw/zinc/79/93/88/387799388.db2.gz IKQYJYQOQMCXGH-ZJUUUORDSA-N 1 3 226.324 0.074 20 30 BCEDHO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](N)CCCC#N ZINC000424152140 387800187 /nfs/dbraw/zinc/80/01/87/387800187.db2.gz INKWNXIAJGKYOV-MNOVXSKESA-N 1 3 240.351 0.464 20 30 BCEDHO CCC[NH2+]CCNC(=O)[C@H](N)CCCC#N ZINC000424157462 387827187 /nfs/dbraw/zinc/82/71/87/387827187.db2.gz RFRJAHQZZZYEFD-SNVBAGLBSA-N 1 3 226.324 0.123 20 30 BCEDHO CCC[NH2+]CCNC(=O)[C@@H](N)CCCC#N ZINC000424157461 387827383 /nfs/dbraw/zinc/82/73/83/387827383.db2.gz RFRJAHQZZZYEFD-JTQLQIEISA-N 1 3 226.324 0.123 20 30 BCEDHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424164599 387847889 /nfs/dbraw/zinc/84/78/89/387847889.db2.gz XFBMCKSYJXTPLK-AXFHLTTASA-N 1 3 238.335 0.264 20 30 BCEDHO C#CC[N@@H+](C)CCCNC(=O)CN(C)CCC ZINC000491350988 388287626 /nfs/dbraw/zinc/28/76/26/388287626.db2.gz RCKDAADCHWZPBE-UHFFFAOYSA-N 1 3 239.363 0.400 20 30 BCEDHO C#CC[N@H+](C)CCCNC(=O)CN(C)CCC ZINC000491350988 388287627 /nfs/dbraw/zinc/28/76/27/388287627.db2.gz RCKDAADCHWZPBE-UHFFFAOYSA-N 1 3 239.363 0.400 20 30 BCEDHO C#CCNC(=O)CC[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000491676601 388310190 /nfs/dbraw/zinc/31/01/90/388310190.db2.gz OTIXKDOHEAQWCW-LBPRGKRZSA-N 1 3 249.358 0.200 20 30 BCEDHO C#CCNC(=O)CCNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491676601 388310191 /nfs/dbraw/zinc/31/01/91/388310191.db2.gz OTIXKDOHEAQWCW-LBPRGKRZSA-N 1 3 249.358 0.200 20 30 BCEDHO C#CCNC(=O)CCNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000491676601 388310192 /nfs/dbraw/zinc/31/01/92/388310192.db2.gz OTIXKDOHEAQWCW-LBPRGKRZSA-N 1 3 249.358 0.200 20 30 BCEDHO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000246223571 388624766 /nfs/dbraw/zinc/62/47/66/388624766.db2.gz DQSFSSMYKKWQIA-SDDRHHMPSA-N 1 3 239.363 0.607 20 30 BCEDHO C=C(C)CNC(=[NH2+])NC[C@@H](C)CN(C)C ZINC000291806581 133573121 /nfs/dbraw/zinc/57/31/21/133573121.db2.gz BCDSQAQHEWXWJR-SNVBAGLBSA-N 1 3 212.341 0.665 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000262524934 135304227 /nfs/dbraw/zinc/30/42/27/135304227.db2.gz KLBYYAMUJMDQJQ-LLVKDONJSA-N 1 3 224.352 0.928 20 30 BCEDHO CCCN1CCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263097657 135332432 /nfs/dbraw/zinc/33/24/32/135332432.db2.gz JNYNGRHNLYGUDO-NSHDSACASA-N 1 3 224.352 0.881 20 30 BCEDHO CC#CC[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000334367673 135374659 /nfs/dbraw/zinc/37/46/59/135374659.db2.gz RJLZCODQLNMFPT-CABCVRRESA-N 1 3 249.402 0.968 20 30 BCEDHO CC#CC[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000334367673 135374660 /nfs/dbraw/zinc/37/46/60/135374660.db2.gz RJLZCODQLNMFPT-CABCVRRESA-N 1 3 249.402 0.968 20 30 BCEDHO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1CNC1 ZINC000424388794 411249420 /nfs/dbraw/zinc/24/94/20/411249420.db2.gz ZQGKLJVVWQKQJO-NHCYSSNCSA-N 1 3 210.321 0.775 20 30 BCEDHO C=CCOCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)N ZINC000665263383 412206004 /nfs/dbraw/zinc/20/60/04/412206004.db2.gz LNNCUTXUNDVYTC-FRRDWIJNSA-N 1 3 242.363 0.921 20 30 BCEDHO C=CC[C@@]1(C(=O)NC[C@@H](C)N(C)C)CCC[NH2+]1 ZINC000662693697 412273151 /nfs/dbraw/zinc/27/31/51/412273151.db2.gz LLGLPYWYTAJIGZ-YPMHNXCESA-N 1 3 239.363 0.751 20 30 BCEDHO C=CC[C@]1(C(=O)NC[C@@H](C)N(C)C)CCC[NH2+]1 ZINC000662693695 412273491 /nfs/dbraw/zinc/27/34/91/412273491.db2.gz LLGLPYWYTAJIGZ-DGCLKSJQSA-N 1 3 239.363 0.751 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000876857316 590250269 /nfs/dbraw/zinc/25/02/69/590250269.db2.gz AYAWPXRAIQMQOX-RKDXNWHRSA-N 1 3 233.743 0.700 20 30 BCEDHO C=CCC[C@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000320666476 323182962 /nfs/dbraw/zinc/18/29/62/323182962.db2.gz RMUSPVJGTJZYOA-DGCLKSJQSA-N 1 3 242.363 0.358 20 30 BCEDHO C=CCC[C@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000320666476 323182963 /nfs/dbraw/zinc/18/29/63/323182963.db2.gz RMUSPVJGTJZYOA-DGCLKSJQSA-N 1 3 242.363 0.358 20 30 BCEDHO C#CCN(C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC000395732906 323239836 /nfs/dbraw/zinc/23/98/36/323239836.db2.gz OZFUEJCGBOFJES-LBPRGKRZSA-N 1 3 237.347 0.009 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCF ZINC000262787082 535549629 /nfs/dbraw/zinc/54/96/29/535549629.db2.gz JVMKGDHGOAOEDV-SECBINFHSA-N 1 3 216.304 0.345 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855415655 588832097 /nfs/dbraw/zinc/83/20/97/588832097.db2.gz LMKAGDFNICKIRL-LLVKDONJSA-N 1 3 227.352 0.561 20 30 BCEDHO CN(C[C@@H](O)C[NH3+])CC1CCC(C#N)CC1 ZINC000903454056 584772851 /nfs/dbraw/zinc/77/28/51/584772851.db2.gz STTAMVXYWIVHGF-MCIGGMRASA-N 1 3 225.336 0.568 20 30 BCEDHO C=C(CN(C)C)C(=O)NCC[NH+](CC)CC ZINC000763874265 585455793 /nfs/dbraw/zinc/45/57/93/585455793.db2.gz HATLFXWLLDQFTH-UHFFFAOYSA-N 1 3 227.352 0.562 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000764478678 585466250 /nfs/dbraw/zinc/46/62/50/585466250.db2.gz IRFHTVCSRVGFAM-NSHDSACASA-N 1 3 239.363 0.703 20 30 BCEDHO C=C(CN(C)C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000764478678 585466251 /nfs/dbraw/zinc/46/62/51/585466251.db2.gz IRFHTVCSRVGFAM-NSHDSACASA-N 1 3 239.363 0.703 20 30 BCEDHO C=C(C[NH+](C)C)C(=O)N1CCN2CCC1CC2 ZINC000774095662 585650287 /nfs/dbraw/zinc/65/02/87/585650287.db2.gz LIZWJDXZNHGKML-UHFFFAOYSA-N 1 3 237.347 0.411 20 30 BCEDHO C=C(CN(C)C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817676014 586817778 /nfs/dbraw/zinc/81/77/78/586817778.db2.gz BKWRHMQGANECCK-LBPRGKRZSA-N 1 3 239.363 0.657 20 30 BCEDHO C=C(CN(C)C)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817676014 586817779 /nfs/dbraw/zinc/81/77/79/586817779.db2.gz BKWRHMQGANECCK-LBPRGKRZSA-N 1 3 239.363 0.657 20 30 BCEDHO C=CCN1CCC(NC(=O)C[NH2+]CC)CC1 ZINC000844183389 588172113 /nfs/dbraw/zinc/17/21/13/588172113.db2.gz YQESMZIQUFDUSB-UHFFFAOYSA-N 1 3 225.336 0.363 20 30 BCEDHO C[NH+]=C(NCC(C)(C)CN(C)C)NC1CC1 ZINC000848981023 588423744 /nfs/dbraw/zinc/42/37/44/588423744.db2.gz WTZQQIDCPSOWRH-UHFFFAOYSA-N 1 3 226.368 0.902 20 30 BCEDHO COCCN(C)CCCNC1=[NH+]CCCN1C ZINC000848993307 588427803 /nfs/dbraw/zinc/42/78/03/588427803.db2.gz XXGVIHSBFUJCGC-UHFFFAOYSA-N 1 3 242.367 0.236 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C ZINC000876514655 590206641 /nfs/dbraw/zinc/20/66/41/590206641.db2.gz GOZFCSSFZPBLIK-IUCAKERBSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH2+]CC1 ZINC000876502723 590201030 /nfs/dbraw/zinc/20/10/30/590201030.db2.gz LLUOQQKSYIMCAD-SECBINFHSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000876504648 590203923 /nfs/dbraw/zinc/20/39/23/590203923.db2.gz RQXNCGWVGKMNNK-RKDXNWHRSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[NH2+]CC1 ZINC000876506700 590204484 /nfs/dbraw/zinc/20/44/84/590204484.db2.gz YHDUYHYPJGGURE-SECBINFHSA-N 1 3 231.727 0.278 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000876513256 590206013 /nfs/dbraw/zinc/20/60/13/590206013.db2.gz JFLKXDMRSAJDMR-VHSXEESVSA-N 1 3 245.754 0.572 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000876515815 590206614 /nfs/dbraw/zinc/20/66/14/590206614.db2.gz XZGIMEHQPJGCRH-NXEZZACHSA-N 1 3 245.754 0.796 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000876517935 590207099 /nfs/dbraw/zinc/20/70/99/590207099.db2.gz HHAFOEOWXMOYQT-VHSXEESVSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCCC[NH2+]C(C)C ZINC000876524964 590208373 /nfs/dbraw/zinc/20/83/73/590208373.db2.gz YCRINEYETRSBKG-JTQLQIEISA-N 1 3 247.770 0.961 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000876528062 590208876 /nfs/dbraw/zinc/20/88/76/590208876.db2.gz JTXJFHIJEAPARH-RKDXNWHRSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000876534356 590210689 /nfs/dbraw/zinc/21/06/89/590210689.db2.gz AYZWWTHSXGAUDQ-ONGXEEELSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000876738532 590232972 /nfs/dbraw/zinc/23/29/72/590232972.db2.gz GFCZOEXBMDGNSR-ZJUUUORDSA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NCC1=CC[NH2+]CC1 ZINC000876810625 590245553 /nfs/dbraw/zinc/24/55/53/590245553.db2.gz XDPJLRXGEGTBAJ-SNVBAGLBSA-N 1 3 243.738 0.492 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1CCC(C)([NH3+])CC1 ZINC000876827083 590246087 /nfs/dbraw/zinc/24/60/87/590246087.db2.gz LJZADJRUANDJJS-VIFPVBQESA-N 1 3 245.754 0.796 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000876835524 590246609 /nfs/dbraw/zinc/24/66/09/590246609.db2.gz XJTVHLSAOIVEOJ-GUBZILKMSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]([NH3+])CC ZINC000876863554 590251137 /nfs/dbraw/zinc/25/11/37/590251137.db2.gz GRNRALZQSVQBIA-SFYZADRCSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000876869352 590251632 /nfs/dbraw/zinc/25/16/32/590251632.db2.gz DTUBAEAYBJLOLJ-GUBZILKMSA-N 1 3 245.754 0.700 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000876977246 590263917 /nfs/dbraw/zinc/26/39/17/590263917.db2.gz SVLORGRYDQIIHR-ZJUUUORDSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000876980518 590264390 /nfs/dbraw/zinc/26/43/90/590264390.db2.gz IGQAYKLBSONWSV-PSASIEDQSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000877109140 590286955 /nfs/dbraw/zinc/28/69/55/590286955.db2.gz AFFVXNYXTQZOOO-DJLDLDEBSA-N 1 3 231.727 0.323 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877171588 590293295 /nfs/dbraw/zinc/29/32/95/590293295.db2.gz CCPNEAWZPUTYDJ-KXUCPTDWSA-N 1 3 243.738 0.419 20 30 BCEDHO C#CCCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878867043 590634664 /nfs/dbraw/zinc/63/46/64/590634664.db2.gz ZJOFIIDKINPASS-CYBMUJFWSA-N 1 3 224.348 0.788 20 30 BCEDHO C#CC[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000886365672 592219342 /nfs/dbraw/zinc/21/93/42/592219342.db2.gz NLERMPOECYEUIK-OLZOCXBDSA-N 1 3 224.348 0.644 20 30 BCEDHO C#CC[C@@H]1CCN(C[C@@H](O)C[N@H+](C)CC)C1 ZINC000886365672 592219344 /nfs/dbraw/zinc/21/93/44/592219344.db2.gz NLERMPOECYEUIK-OLZOCXBDSA-N 1 3 224.348 0.644 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CN2CCC[C@@H]2C)C1 ZINC001022710932 631804927 /nfs/dbraw/zinc/80/49/27/631804927.db2.gz PQBJXZFCUSSRID-RWMBFGLXSA-N 1 3 249.358 0.341 20 30 BCEDHO C[C@H](C#N)OCC[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000310470333 632747000 /nfs/dbraw/zinc/74/70/00/632747000.db2.gz BFESOJXLANHNJE-OLZOCXBDSA-N 1 3 237.347 0.943 20 30 BCEDHO C[C@H](C#N)OCC[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000310470333 632747004 /nfs/dbraw/zinc/74/70/04/632747004.db2.gz BFESOJXLANHNJE-OLZOCXBDSA-N 1 3 237.347 0.943 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CN2CCCC2)C1 ZINC000989797523 636881907 /nfs/dbraw/zinc/88/19/07/636881907.db2.gz YIXIUPZOENZGIU-OLZOCXBDSA-N 1 3 249.358 0.294 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651897 639706502 /nfs/dbraw/zinc/70/65/02/639706502.db2.gz GVYFGTUFURIYRI-NXEZZACHSA-N 1 3 211.309 0.230 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911736704 639762844 /nfs/dbraw/zinc/76/28/44/639762844.db2.gz MQKUXZGTGICXHG-VXGBXAGGSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911736603 639762880 /nfs/dbraw/zinc/76/28/80/639762880.db2.gz MQKUXZGTGICXHG-RYUDHWBXSA-N 1 3 239.363 0.880 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)N1CC[C@H]([NH3+])C1 ZINC000911738136 639764496 /nfs/dbraw/zinc/76/44/96/639764496.db2.gz GVYFGTUFURIYRI-VHSXEESVSA-N 1 3 211.309 0.230 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911751405 639777642 /nfs/dbraw/zinc/77/76/42/639777642.db2.gz JTRZRILEEXZKJI-GHMZBOCLSA-N 1 3 225.336 0.538 20 30 BCEDHO C#CCNC(=O)CCN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933733176 640756433 /nfs/dbraw/zinc/75/64/33/640756433.db2.gz FYDQMCKWMBPFQC-OCCSQVGLSA-N 1 3 249.358 0.009 20 30 BCEDHO C#CCNC(=O)CCN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933733176 640756436 /nfs/dbraw/zinc/75/64/36/640756436.db2.gz FYDQMCKWMBPFQC-OCCSQVGLSA-N 1 3 249.358 0.009 20 30 BCEDHO C[C@@H](CNC(=[NH2+])N(C)C)N1CCC[C@H](C)C1 ZINC000170913295 640938536 /nfs/dbraw/zinc/93/85/36/640938536.db2.gz VOOLKOGVMWIIME-QWRGUYRKSA-N 1 3 226.368 0.983 20 30 BCEDHO C#CCC1(NC[C@@H](O)C[N@@H+](C)CC)CCC1 ZINC000933296946 642506180 /nfs/dbraw/zinc/50/61/80/642506180.db2.gz SOEGUJPQLLUWEJ-GFCCVEGCSA-N 1 3 224.348 0.835 20 30 BCEDHO C#CCC1(NC[C@@H](O)C[N@H+](C)CC)CCC1 ZINC000933296946 642506187 /nfs/dbraw/zinc/50/61/87/642506187.db2.gz SOEGUJPQLLUWEJ-GFCCVEGCSA-N 1 3 224.348 0.835 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC000968912991 642822009 /nfs/dbraw/zinc/82/20/09/642822009.db2.gz ZNJDGROTHRHMBY-CHWSQXEVSA-N 1 3 249.358 0.150 20 30 BCEDHO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001018629019 643003107 /nfs/dbraw/zinc/00/31/07/643003107.db2.gz XLYFVHINFPCGFV-NWDGAFQWSA-N 1 3 237.347 0.457 20 30 BCEDHO C#CC[NH2+][C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001020588453 643220955 /nfs/dbraw/zinc/22/09/55/643220955.db2.gz BDUVJMJHQDGDBY-JHJVBQTASA-N 1 3 249.358 0.198 20 30 BCEDHO C=CC[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC000997052382 643575794 /nfs/dbraw/zinc/57/57/94/643575794.db2.gz FWNJGCPEKGETEI-UHFFFAOYSA-N 1 3 248.330 0.719 20 30 BCEDHO CNC(NCCN(C(C)C)C(C)C)=[NH+]C ZINC000303265513 643580537 /nfs/dbraw/zinc/58/05/37/643580537.db2.gz UQFIBDUQFJUQJP-UHFFFAOYSA-N 1 3 214.357 0.900 20 30 BCEDHO C=CCC[C@H](O)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000923331772 644361248 /nfs/dbraw/zinc/36/12/48/644361248.db2.gz ICOQCNZZCFCRBG-STQMWFEESA-N 1 3 224.348 0.999 20 30 BCEDHO N#CC1CCC(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925653011 646388710 /nfs/dbraw/zinc/38/87/10/646388710.db2.gz CKMYHFBASRNMRY-BPCQOVAHSA-N 1 3 237.347 0.894 20 30 BCEDHO C=C(C)C[C@H](CO)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000925773117 646473315 /nfs/dbraw/zinc/47/33/15/646473315.db2.gz WWYUTZTZDIJOCK-IJLUTSLNSA-N 1 3 212.337 0.901 20 30 BCEDHO C#CC1(O)CC[NH+](CC[C@@H]2CCCN2C)CC1 ZINC000708099965 712181070 /nfs/dbraw/zinc/18/10/70/712181070.db2.gz AKQOHBDPOJTJCB-ZDUSSCGKSA-N 1 3 236.359 0.931 20 30 BCEDHO CCNC(NCCNC(C)(C)C)=[NH+]CC ZINC000304282733 711489730 /nfs/dbraw/zinc/48/97/30/711489730.db2.gz HPOIMIYGJWSSAH-UHFFFAOYSA-N 1 3 214.357 0.950 20 30 BCEDHO C#CC[C@H](CO)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000717795721 712678004 /nfs/dbraw/zinc/67/80/04/712678004.db2.gz UUALOVDAGIRADL-GRYCIOLGSA-N 1 3 210.321 0.443 20 30 BCEDHO C#CC[C@H](CO)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000717795721 712678003 /nfs/dbraw/zinc/67/80/03/712678003.db2.gz UUALOVDAGIRADL-GRYCIOLGSA-N 1 3 210.321 0.443 20 30 BCEDHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H](N)CCCC#N ZINC000602543482 349587734 /nfs/dbraw/zinc/58/77/34/349587734.db2.gz KNFSGCWMAMVHRZ-OUAUKWLOSA-N 1 3 238.335 0.264 20 30 BCEDHO C[C@@H](CNC1=[NH+]CCN1C)N1CCC[C@@H](C)C1 ZINC000262669765 136374711 /nfs/dbraw/zinc/37/47/11/136374711.db2.gz QMOLGNMNJQKYHQ-NEPJUHHUSA-N 1 3 238.379 0.998 20 30 BCEDHO C[C@@H](CNC1=[NH+]CCN1C)N1CCC[C@H](C)C1 ZINC000262669767 136374796 /nfs/dbraw/zinc/37/47/96/136374796.db2.gz QMOLGNMNJQKYHQ-RYUDHWBXSA-N 1 3 238.379 0.998 20 30 BCEDHO N#CCC1(C[NH2+]C[C@H](O)CN2CCCC2)CC1 ZINC000600735162 344365034 /nfs/dbraw/zinc/36/50/34/344365034.db2.gz KEVMNJVCJUGMID-LBPRGKRZSA-N 1 3 237.347 0.727 20 30 BCEDHO N#CCCC[NH2+]C[C@@H](O)CN1CCCC1 ZINC000600737305 344365631 /nfs/dbraw/zinc/36/56/31/344365631.db2.gz VSSHVZOHHZLGIL-LLVKDONJSA-N 1 3 211.309 0.336 20 30 BCEDHO N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000600737487 344365830 /nfs/dbraw/zinc/36/58/30/344365830.db2.gz BCMAPVSPUMNYHB-XQQFMLRXSA-N 1 3 237.347 0.725 20 30 BCEDHO CC[N@@H+]1CC[C@H](CNC(=O)C(C)C#N)C1 ZINC000044823690 344551258 /nfs/dbraw/zinc/55/12/58/344551258.db2.gz KSCJGMDDRFMTLA-VHSXEESVSA-N 1 3 209.293 0.604 20 30 BCEDHO CC[N@H+]1CC[C@H](CNC(=O)C(C)C#N)C1 ZINC000044823690 344551261 /nfs/dbraw/zinc/55/12/61/344551261.db2.gz KSCJGMDDRFMTLA-VHSXEESVSA-N 1 3 209.293 0.604 20 30 BCEDHO CC(C#N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044828044 344552142 /nfs/dbraw/zinc/55/21/42/344552142.db2.gz DLISVMRRWDQODY-SECBINFHSA-N 1 3 209.293 0.604 20 30 BCEDHO N#C[C@@H]1CC[C@H](N2C[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000378867409 345688156 /nfs/dbraw/zinc/68/81/56/345688156.db2.gz FCWQDBXPCUQQPR-RHYQMDGZSA-N 1 3 205.305 0.830 20 30 BCEDHO N#CCCC[C@H](N)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591677583 347685459 /nfs/dbraw/zinc/68/54/59/347685459.db2.gz NWSDGECRGAEONP-QWRGUYRKSA-N 1 3 238.335 0.266 20 30 BCEDHO C=CCN1CCC(NC(=O)CCCC[NH3+])CC1 ZINC000577370192 365936427 /nfs/dbraw/zinc/93/64/27/365936427.db2.gz YRZGRXNCVYXPCE-UHFFFAOYSA-N 1 3 239.363 0.882 20 30 BCEDHO C[C@@H](C[NH3+])N(C)C(=O)[C@@H](N)CCCCC#N ZINC000594424297 348051199 /nfs/dbraw/zinc/05/11/99/348051199.db2.gz AFKQHPIEWFESCQ-UWVGGRQHSA-N 1 3 226.324 0.203 20 30 BCEDHO CN(C(=O)[C@H](N)CCCCC#N)[C@@H]1CC[NH2+]C1 ZINC000594425621 348052006 /nfs/dbraw/zinc/05/20/06/348052006.db2.gz LPFVYJVULBIMNH-GHMZBOCLSA-N 1 3 238.335 0.218 20 30 BCEDHO CN(C(=O)[C@H](N)CCCCC#N)C1CC([NH3+])C1 ZINC000594444757 348055527 /nfs/dbraw/zinc/05/55/27/348055527.db2.gz XHAGLNSFULMSKU-VQXHTEKXSA-N 1 3 238.335 0.346 20 30 BCEDHO CC[C@H]([NH3+])CNC(=O)[C@H](N)CCCCC#N ZINC000594444413 348055832 /nfs/dbraw/zinc/05/58/32/348055832.db2.gz RMPJDKISRZYBLZ-VHSXEESVSA-N 1 3 226.324 0.251 20 30 BCEDHO C[C@]1(NC(=O)[C@H](N)CCCCC#N)CC[NH2+]C1 ZINC000595987760 348419882 /nfs/dbraw/zinc/41/98/82/348419882.db2.gz WUYVJLXPDAYJNZ-PWSUYJOCSA-N 1 3 238.335 0.266 20 30 BCEDHO C[C@]1(NC(=O)[C@@H](N)CCCCC#N)CC[NH2+]C1 ZINC000595987759 348419969 /nfs/dbraw/zinc/41/99/69/348419969.db2.gz WUYVJLXPDAYJNZ-JQWIXIFHSA-N 1 3 238.335 0.266 20 30 BCEDHO C[C@@]1(NC(=O)[C@@H](N)CCCCC#N)CC[NH2+]C1 ZINC000595987758 348420136 /nfs/dbraw/zinc/42/01/36/348420136.db2.gz WUYVJLXPDAYJNZ-CMPLNLGQSA-N 1 3 238.335 0.266 20 30 BCEDHO C#CCN1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000063663308 353606516 /nfs/dbraw/zinc/60/65/16/353606516.db2.gz SDNWIVUMBMLABD-UHFFFAOYSA-N 1 3 237.347 0.009 20 30 BCEDHO C=CCN1CC[C@H](N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1=O ZINC000420309969 192211547 /nfs/dbraw/zinc/21/15/47/192211547.db2.gz PFGZGZHMRMANRS-CYDGBPFRSA-N 1 3 249.358 0.442 20 30 BCEDHO CC(C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384904283 356794889 /nfs/dbraw/zinc/79/48/89/356794889.db2.gz NWAFTVPEEWPWFX-AXTSPUMRSA-N 1 3 207.277 0.164 20 30 BCEDHO CC[NH+](CC)CCOCCNC(=O)C(C)C#N ZINC000544587047 325150595 /nfs/dbraw/zinc/15/05/95/325150595.db2.gz XPRRCOPNIIHFQR-NSHDSACASA-N 1 3 241.335 0.621 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218414291 134254505 /nfs/dbraw/zinc/25/45/05/134254505.db2.gz ZGOWJQUMLVECOO-MXWKQRLJSA-N 1 3 221.304 0.889 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000218414291 134254506 /nfs/dbraw/zinc/25/45/06/134254506.db2.gz ZGOWJQUMLVECOO-MXWKQRLJSA-N 1 3 221.304 0.889 20 30 BCEDHO CC[NH+]1CCC(CNC(=O)C(C)C#N)CC1 ZINC000044828057 358394507 /nfs/dbraw/zinc/39/45/07/358394507.db2.gz BSSKZJYTLZIASX-SNVBAGLBSA-N 1 3 223.320 0.994 20 30 BCEDHO CC[NH+]1CCC(CNC(=O)C(C)C#N)CC1 ZINC000044828056 358394830 /nfs/dbraw/zinc/39/48/30/358394830.db2.gz BSSKZJYTLZIASX-JTQLQIEISA-N 1 3 223.320 0.994 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092005200 360144421 /nfs/dbraw/zinc/14/44/21/360144421.db2.gz SNEBFPXHLULMCU-MXWKQRLJSA-N 1 3 221.304 0.841 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000092005200 360144425 /nfs/dbraw/zinc/14/44/25/360144425.db2.gz SNEBFPXHLULMCU-MXWKQRLJSA-N 1 3 221.304 0.841 20 30 BCEDHO N#CCCC[C@H](N)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000424079654 200856918 /nfs/dbraw/zinc/85/69/18/200856918.db2.gz RMKJWYLNJDAHNR-DCAQKATOSA-N 1 3 238.335 0.251 20 30 BCEDHO CC[NH+](CC)C[C@H](C)NC(=O)C(C)C#N ZINC000041680713 361711105 /nfs/dbraw/zinc/71/11/05/361711105.db2.gz ATZURLUATIXAHM-ZJUUUORDSA-N 1 3 211.309 0.993 20 30 BCEDHO CC#CCN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177384789 206006995 /nfs/dbraw/zinc/00/69/95/206006995.db2.gz ZXCNHKRCHSTAJR-UHFFFAOYSA-N 1 3 237.391 0.968 20 30 BCEDHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H](N)CCCC#N ZINC000424192474 206034652 /nfs/dbraw/zinc/03/46/52/206034652.db2.gz IXWYVGGYXJDAKW-UWVGGRQHSA-N 1 3 240.351 0.497 20 30 BCEDHO C#CCNC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000262270310 532989138 /nfs/dbraw/zinc/98/91/38/532989138.db2.gz KIVFNYWAOJMASK-JTQLQIEISA-N 1 3 208.309 0.008 20 30 BCEDHO CC[N@H+](CCNC(=O)C(C)C#N)C(C)C ZINC000347137799 386257140 /nfs/dbraw/zinc/25/71/40/386257140.db2.gz QHULGYZFZBKTJU-JTQLQIEISA-N 1 3 211.309 0.993 20 30 BCEDHO CC[N@@H+](CCNC(=O)C(C)C#N)C(C)C ZINC000347137799 386257146 /nfs/dbraw/zinc/25/71/46/386257146.db2.gz QHULGYZFZBKTJU-JTQLQIEISA-N 1 3 211.309 0.993 20 30 BCEDHO CCCC[C@@H](C[NH3+])NC(=O)[C@@H](N)CCCC#N ZINC000424075948 387478356 /nfs/dbraw/zinc/47/83/56/387478356.db2.gz KOFPPAFGGQVFKQ-QWRGUYRKSA-N 1 3 240.351 0.641 20 30 BCEDHO CCC([NH3+])(CC)CNC(=O)[C@@H](N)CCCC#N ZINC000424075996 387478363 /nfs/dbraw/zinc/47/83/63/387478363.db2.gz KTCKXGRSBXAADA-JTQLQIEISA-N 1 3 240.351 0.641 20 30 BCEDHO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](N)CCCC#N ZINC000424078835 387480814 /nfs/dbraw/zinc/48/08/14/387480814.db2.gz QICJNZQPRORYPO-WDEREUQCSA-N 1 3 238.335 0.218 20 30 BCEDHO CC(C)C[C@@H](C[NH3+])NC(=O)[C@@H](N)CCCC#N ZINC000424080692 387482991 /nfs/dbraw/zinc/48/29/91/387482991.db2.gz TYHPVDLZOIGTLL-QWRGUYRKSA-N 1 3 240.351 0.497 20 30 BCEDHO CC[NH+](CC)CCNC(=O)[C@H](N)CCCC#N ZINC000424141565 387710273 /nfs/dbraw/zinc/71/02/73/387710273.db2.gz UIBKACAUTXJQRS-LLVKDONJSA-N 1 3 240.351 0.466 20 30 BCEDHO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000442763621 387834715 /nfs/dbraw/zinc/83/47/15/387834715.db2.gz BCMAPVSPUMNYHB-UPJWGTAASA-N 1 3 237.347 0.725 20 30 BCEDHO CN(C(=O)[C@H](N)CCCC#N)C1(C[NH3+])CCC1 ZINC000424171015 387863515 /nfs/dbraw/zinc/86/35/15/387863515.db2.gz BRGZRKAPJAEACL-SNVBAGLBSA-N 1 3 238.335 0.347 20 30 BCEDHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H](N)CCCC#N ZINC000424154233 387815673 /nfs/dbraw/zinc/81/56/73/387815673.db2.gz JHILJWKEXQULAP-MXWKQRLJSA-N 1 3 238.335 0.122 20 30 BCEDHO N#CCCC[C@H](N)C(=O)NCCC[NH2+]C1CC1 ZINC000572723692 388368502 /nfs/dbraw/zinc/36/85/02/388368502.db2.gz VLQGEORZQWTXBP-NSHDSACASA-N 1 3 238.335 0.266 20 30 BCEDHO C=CC1CC[NH+](C[C@](C)(O)CNC)CC1 ZINC000573258018 388436400 /nfs/dbraw/zinc/43/64/00/388436400.db2.gz QBEQGCYUEVVQAM-GFCCVEGCSA-N 1 3 212.337 0.855 20 30 BCEDHO C=CC1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000573258018 388436404 /nfs/dbraw/zinc/43/64/04/388436404.db2.gz QBEQGCYUEVVQAM-GFCCVEGCSA-N 1 3 212.337 0.855 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331742410 134001144 /nfs/dbraw/zinc/00/11/44/134001144.db2.gz BIMCXYXGZJFSGO-NXEZZACHSA-N 1 3 221.304 0.747 20 30 BCEDHO CC(C#N)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000331742410 134001145 /nfs/dbraw/zinc/00/11/45/134001145.db2.gz BIMCXYXGZJFSGO-NXEZZACHSA-N 1 3 221.304 0.747 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331742426 134001350 /nfs/dbraw/zinc/00/13/50/134001350.db2.gz BIMCXYXGZJFSGO-ZJUUUORDSA-N 1 3 221.304 0.747 20 30 BCEDHO CC(C#N)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000331742426 134001351 /nfs/dbraw/zinc/00/13/51/134001351.db2.gz BIMCXYXGZJFSGO-ZJUUUORDSA-N 1 3 221.304 0.747 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368917791 134220518 /nfs/dbraw/zinc/22/05/18/134220518.db2.gz SJDWFSHZOIVOBE-GHMZBOCLSA-N 1 3 238.335 0.150 20 30 BCEDHO C#CCCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000378314678 134245728 /nfs/dbraw/zinc/24/57/28/134245728.db2.gz HWBMJWOAMJNPEA-CABCVRRESA-N 1 3 249.402 0.968 20 30 BCEDHO CCC[N@H+](CC)CCNC(=O)C(C)C#N ZINC000222267107 134331113 /nfs/dbraw/zinc/33/11/13/134331113.db2.gz KORFTDACIWRDMJ-SNVBAGLBSA-N 1 3 211.309 0.994 20 30 BCEDHO CCC[N@@H+](CC)CCNC(=O)C(C)C#N ZINC000222267107 134331114 /nfs/dbraw/zinc/33/11/14/134331114.db2.gz KORFTDACIWRDMJ-SNVBAGLBSA-N 1 3 211.309 0.994 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252660646 135094094 /nfs/dbraw/zinc/09/40/94/135094094.db2.gz BMAALPHBTLHCEC-MXWKQRLJSA-N 1 3 221.304 0.889 20 30 BCEDHO CC(C#N)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252660646 135094096 /nfs/dbraw/zinc/09/40/96/135094096.db2.gz BMAALPHBTLHCEC-MXWKQRLJSA-N 1 3 221.304 0.889 20 30 BCEDHO CN(C)CC(C)(C)CNC1=[NH+]CCN1C ZINC000261534640 135168159 /nfs/dbraw/zinc/16/81/59/135168159.db2.gz MWCUKNLDGPHDIV-UHFFFAOYSA-N 1 3 212.341 0.465 20 30 BCEDHO CC(C#N)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000332012472 135396566 /nfs/dbraw/zinc/39/65/66/135396566.db2.gz HAFSNTQUNICKLZ-SECBINFHSA-N 1 3 209.293 0.747 20 30 BCEDHO C=CCN1CCC(NC(=O)C[NH2+]C(C)C)CC1 ZINC000662448064 409723024 /nfs/dbraw/zinc/72/30/24/409723024.db2.gz GNJLLZPJLDELER-UHFFFAOYSA-N 1 3 239.363 0.751 20 30 BCEDHO C=CCNC(=O)[C@@H](C)N1CCC([C@H](C)[NH3+])CC1 ZINC000104140797 166381983 /nfs/dbraw/zinc/38/19/83/166381983.db2.gz MHAXIDACOYIMPB-WDEREUQCSA-N 1 3 239.363 0.736 20 30 BCEDHO C=CCN(CCOCC[NH3+])[C@H](C)COC ZINC000662299822 412085757 /nfs/dbraw/zinc/08/57/57/412085757.db2.gz XTEJTFCVADRTGQ-LLVKDONJSA-N 1 3 216.325 0.485 20 30 BCEDHO C=CCOCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)N ZINC000665263386 412205406 /nfs/dbraw/zinc/20/54/06/412205406.db2.gz LNNCUTXUNDVYTC-YNEHKIRRSA-N 1 3 242.363 0.921 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[N@H+](C)C(C)C ZINC000876748811 590237265 /nfs/dbraw/zinc/23/72/65/590237265.db2.gz HUALSJMUZMNSBF-JTQLQIEISA-N 1 3 247.770 0.913 20 30 BCEDHO C=CCC[C@@H](CO)NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000320666482 323182953 /nfs/dbraw/zinc/18/29/53/323182953.db2.gz RMUSPVJGTJZYOA-WCQYABFASA-N 1 3 242.363 0.358 20 30 BCEDHO C=CCC[C@@H](CO)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000320666482 323182954 /nfs/dbraw/zinc/18/29/54/323182954.db2.gz RMUSPVJGTJZYOA-WCQYABFASA-N 1 3 242.363 0.358 20 30 BCEDHO C=CCCCN1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000566571955 326065941 /nfs/dbraw/zinc/06/59/41/326065941.db2.gz IBSVDTFWBNFYAL-GHMZBOCLSA-N 1 3 223.320 0.196 20 30 BCEDHO C=CCNC(=[NH2+])NC[C@@H](CC)N1CCCC1 ZINC000066245279 534520596 /nfs/dbraw/zinc/52/05/96/534520596.db2.gz WYXXOBQJXCWWIF-LLVKDONJSA-N 1 3 224.352 0.951 20 30 BCEDHO C=CCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000335397084 534853547 /nfs/dbraw/zinc/85/35/47/534853547.db2.gz UUVACXPWTAYSQX-LLVKDONJSA-N 1 3 210.321 0.860 20 30 BCEDHO CC[NH+]1CCC(NC(=O)C(C)C#N)CC1 ZINC000345820584 535473005 /nfs/dbraw/zinc/47/30/05/535473005.db2.gz URBKCZNYGVMBPR-VIFPVBQESA-N 1 3 209.293 0.747 20 30 BCEDHO CN(C)CCOc1ccc(CNC(N)=[NH2+])cc1 ZINC000264063459 535904338 /nfs/dbraw/zinc/90/43/38/535904338.db2.gz DHUBDFMBGKKPOT-UHFFFAOYSA-N 1 3 236.319 0.400 20 30 BCEDHO C=C(CN(C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000764504418 585466974 /nfs/dbraw/zinc/46/69/74/585466974.db2.gz BXCSSNJMFIUNGP-NSHDSACASA-N 1 3 227.352 0.561 20 30 BCEDHO C=C(CN(C)C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000764507113 585467188 /nfs/dbraw/zinc/46/71/88/585467188.db2.gz NPIXHEWDTULIMK-UHFFFAOYSA-N 1 3 239.363 0.657 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827318796 587376928 /nfs/dbraw/zinc/37/69/28/587376928.db2.gz JHPXGQOEAQVLRI-GMTAPVOTSA-N 1 3 221.304 0.699 20 30 BCEDHO CC(C#N)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827318796 587376929 /nfs/dbraw/zinc/37/69/29/587376929.db2.gz JHPXGQOEAQVLRI-GMTAPVOTSA-N 1 3 221.304 0.699 20 30 BCEDHO C[NH+]=C(NCCNc1ccncc1)NC1CC1 ZINC000848995251 588428505 /nfs/dbraw/zinc/42/85/05/588428505.db2.gz MCXLTFQQLMCOIQ-UHFFFAOYSA-N 1 3 233.319 0.243 20 30 BCEDHO C[NH+]=C(NC[C@@H]1CCCN(C)C1)NC1CC1 ZINC000849005595 588432756 /nfs/dbraw/zinc/43/27/56/588432756.db2.gz ZQIBXWWHDQMCQT-JTQLQIEISA-N 1 3 224.352 0.656 20 30 BCEDHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCC#N ZINC000849017498 588437416 /nfs/dbraw/zinc/43/74/16/588437416.db2.gz KMTGTLARNDYJDP-NSHDSACASA-N 1 3 237.351 0.888 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCC#N ZINC000849017497 588437463 /nfs/dbraw/zinc/43/74/63/588437463.db2.gz KMTGTLARNDYJDP-LLVKDONJSA-N 1 3 237.351 0.888 20 30 BCEDHO C[C@H]1NCCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H]1C ZINC000852878052 588710344 /nfs/dbraw/zinc/71/03/44/588710344.db2.gz GJHJEONJCUOALV-VXGBXAGGSA-N 1 3 249.358 0.198 20 30 BCEDHO C[C@@H]1NCCN(C(=O)C#CC2CC[NH2+]CC2)[C@H]1C ZINC000852878051 588710564 /nfs/dbraw/zinc/71/05/64/588710564.db2.gz GJHJEONJCUOALV-RYUDHWBXSA-N 1 3 249.358 0.198 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000876504646 590204193 /nfs/dbraw/zinc/20/41/93/590204193.db2.gz RQXNCGWVGKMNNK-DTWKUNHWSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC1CCC([NH3+])CC1 ZINC000876516175 590206603 /nfs/dbraw/zinc/20/66/03/590206603.db2.gz MIKPKFCZNOHYTP-RTBKNWGFSA-N 1 3 245.754 0.842 20 30 BCEDHO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNC[C@@H]1C ZINC000876514654 590206721 /nfs/dbraw/zinc/20/67/21/590206721.db2.gz GOZFCSSFZPBLIK-DTWKUNHWSA-N 1 3 231.727 0.277 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876521938 590207402 /nfs/dbraw/zinc/20/74/02/590207402.db2.gz BZUWEYSGRPTNFY-DTWKUNHWSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000876521940 590207420 /nfs/dbraw/zinc/20/74/20/590207420.db2.gz BZUWEYSGRPTNFY-RKDXNWHRSA-N 1 3 231.727 0.325 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[NH2+]CC ZINC000876521172 590207531 /nfs/dbraw/zinc/20/75/31/590207531.db2.gz IQLFAMVXSWEJJJ-QMMMGPOBSA-N 1 3 219.716 0.182 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC(C)(C)C[NH3+] ZINC000876524400 590208077 /nfs/dbraw/zinc/20/80/77/590208077.db2.gz PJCUKGDNKLSOBC-ZETCQYMHSA-N 1 3 219.716 0.310 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000876534348 590210650 /nfs/dbraw/zinc/21/06/50/590210650.db2.gz AYZWWTHSXGAUDQ-GXSJLCMTSA-N 1 3 247.770 0.946 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000876536406 590211099 /nfs/dbraw/zinc/21/10/99/590211099.db2.gz BZEPCVWGKWXEJZ-IUCAKERBSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC1CC[NH+](C)CC1 ZINC000876711414 590232727 /nfs/dbraw/zinc/23/27/27/590232727.db2.gz YIGWDSPDFASZNH-SNVBAGLBSA-N 1 3 245.754 0.667 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NCC[N@@H+](C)C(C)C ZINC000876748811 590237264 /nfs/dbraw/zinc/23/72/64/590237264.db2.gz HUALSJMUZMNSBF-JTQLQIEISA-N 1 3 247.770 0.913 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000876788632 590240952 /nfs/dbraw/zinc/24/09/52/590240952.db2.gz PVJMMZJRDUFFJB-BBBLOLIVSA-N 1 3 245.754 0.652 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876792257 590241953 /nfs/dbraw/zinc/24/19/53/590241953.db2.gz VAHVVYCWPMLJEL-RKDXNWHRSA-N 1 3 231.727 0.310 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000876826002 590246320 /nfs/dbraw/zinc/24/63/20/590246320.db2.gz AXFZYWYUJAWOBR-NXEZZACHSA-N 1 3 245.754 0.715 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000876831402 590247719 /nfs/dbraw/zinc/24/77/19/590247719.db2.gz ZJDKKUZQYJQXKL-JEZHCXPESA-N 1 3 245.754 0.571 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000876832347 590247742 /nfs/dbraw/zinc/24/77/42/590247742.db2.gz OINKMIBNFBGLJR-GUBZILKMSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)CCC[NH3+] ZINC000876857313 590249925 /nfs/dbraw/zinc/24/99/25/590249925.db2.gz AYAWPXRAIQMQOX-BDAKNGLRSA-N 1 3 233.743 0.700 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000876860666 590250473 /nfs/dbraw/zinc/25/04/73/590250473.db2.gz GWVAVGMGYASXJO-RNJXMRFFSA-N 1 3 219.716 0.308 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N(C)C1CC([NH3+])C1 ZINC000876861538 590251217 /nfs/dbraw/zinc/25/12/17/590251217.db2.gz BOKAIMWRHPSKJQ-HACHORDNSA-N 1 3 231.727 0.404 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000876935339 590258083 /nfs/dbraw/zinc/25/80/83/590258083.db2.gz RQOMSRFOLCVFFH-CIUDSAMLSA-N 1 3 233.743 0.698 20 30 BCEDHO C=C(Cl)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000877023165 590270574 /nfs/dbraw/zinc/27/05/74/590270574.db2.gz GSCKVELUDXKLKU-KXUCPTDWSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000877048820 590274098 /nfs/dbraw/zinc/27/40/98/590274098.db2.gz AHUQXFRJGKJDAV-UTLUCORTSA-N 1 3 245.754 0.713 20 30 BCEDHO C=C(Cl)C[C@H](N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242668 590302638 /nfs/dbraw/zinc/30/26/38/590302638.db2.gz VRQZEPACWOXXHV-YIZRAAEISA-N 1 3 231.727 0.310 20 30 BCEDHO C=CC[NH+]1CCC(N2CCN(C)CC2)CC1 ZINC000879590867 590823988 /nfs/dbraw/zinc/82/39/88/590823988.db2.gz GFXFQOUGQQLZLA-UHFFFAOYSA-N 1 3 223.364 0.884 20 30 BCEDHO C#CC[C@H]1CCN(C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000886365674 592219789 /nfs/dbraw/zinc/21/97/89/592219789.db2.gz NLERMPOECYEUIK-STQMWFEESA-N 1 3 224.348 0.644 20 30 BCEDHO C#CC[C@H]1CCN(C[C@@H](O)C[N@H+](C)CC)C1 ZINC000886365674 592219790 /nfs/dbraw/zinc/21/97/90/592219790.db2.gz NLERMPOECYEUIK-STQMWFEESA-N 1 3 224.348 0.644 20 30 BCEDHO C[NH+]=C(NC[C@H]1CCN(C)C1)NC1CC1 ZINC000103337555 592578909 /nfs/dbraw/zinc/57/89/09/592578909.db2.gz CRWWTGDDHSVBMC-SECBINFHSA-N 1 3 210.325 0.266 20 30 BCEDHO C[C@H](C#N)OCC[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000310470332 632745678 /nfs/dbraw/zinc/74/56/78/632745678.db2.gz BFESOJXLANHNJE-CHWSQXEVSA-N 1 3 237.347 0.943 20 30 BCEDHO C[C@H](C#N)OCC[N@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000310470332 632745679 /nfs/dbraw/zinc/74/56/79/632745679.db2.gz BFESOJXLANHNJE-CHWSQXEVSA-N 1 3 237.347 0.943 20 30 BCEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028981171 635860377 /nfs/dbraw/zinc/86/03/77/635860377.db2.gz JDGTZKWNYNHZRS-STQMWFEESA-N 1 3 249.358 0.009 20 30 BCEDHO C#CCN1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028981171 635860386 /nfs/dbraw/zinc/86/03/86/635860386.db2.gz JDGTZKWNYNHZRS-STQMWFEESA-N 1 3 249.358 0.009 20 30 BCEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001028981169 635860986 /nfs/dbraw/zinc/86/09/86/635860986.db2.gz JDGTZKWNYNHZRS-OLZOCXBDSA-N 1 3 249.358 0.009 20 30 BCEDHO C#CCN1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001028981169 635860991 /nfs/dbraw/zinc/86/09/91/635860991.db2.gz JDGTZKWNYNHZRS-OLZOCXBDSA-N 1 3 249.358 0.009 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NCCC[NH2+]C ZINC000911677471 639716884 /nfs/dbraw/zinc/71/68/84/639716884.db2.gz RVKOSWPUQIMXSB-SNVBAGLBSA-N 1 3 213.325 0.396 20 30 BCEDHO C=CCCC[C@@H](N)C(=O)NCC[NH2+]CC ZINC000911750979 639777602 /nfs/dbraw/zinc/77/76/02/639777602.db2.gz RNASZJVNXWMICP-SNVBAGLBSA-N 1 3 213.325 0.396 20 30 BCEDHO C=CCCC[C@H](N)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911769634 639794313 /nfs/dbraw/zinc/79/43/13/639794313.db2.gz WHOHALNZBCSRKW-RYUDHWBXSA-N 1 3 239.363 0.786 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911787736 639805929 /nfs/dbraw/zinc/80/59/29/639805929.db2.gz LHXZMQFJFUKQLA-MNOVXSKESA-N 1 3 225.336 0.490 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000911834834 639844893 /nfs/dbraw/zinc/84/48/93/639844893.db2.gz RXIQTOKYXUFYIJ-WDEREUQCSA-N 1 3 225.336 0.524 20 30 BCEDHO C=CCCC[C@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911817668 639849618 /nfs/dbraw/zinc/84/96/18/639849618.db2.gz IWTVMWWIJKWXOH-UTUOFQBUSA-N 1 3 239.363 0.866 20 30 BCEDHO C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC000939212577 642858789 /nfs/dbraw/zinc/85/87/89/642858789.db2.gz YZQINKCHQFAYKM-PWSUYJOCSA-N 1 3 248.330 0.575 20 30 BCEDHO C=CC[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC000939212576 642859124 /nfs/dbraw/zinc/85/91/24/642859124.db2.gz YZQINKCHQFAYKM-JQWIXIFHSA-N 1 3 248.330 0.575 20 30 BCEDHO C#CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001016248623 642953679 /nfs/dbraw/zinc/95/36/79/642953679.db2.gz CGUAALGCDRLMSR-OLZOCXBDSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CCCN1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001016248623 642953684 /nfs/dbraw/zinc/95/36/84/642953684.db2.gz CGUAALGCDRLMSR-OLZOCXBDSA-N 1 3 249.358 0.152 20 30 BCEDHO C#CC[NH2+][C@@H]1CCN(C(=O)CN2CCC[C@H]2C)C1 ZINC000969949193 643256698 /nfs/dbraw/zinc/25/66/98/643256698.db2.gz OJRGJZGOMAXWDB-CHWSQXEVSA-N 1 3 249.358 0.294 20 30 BCEDHO Cc1cc(C#N)cc(C)c1CNC(CN)C[NH3+] ZINC000923355963 644373201 /nfs/dbraw/zinc/37/32/01/644373201.db2.gz HQFXXEYXNCLMBN-UHFFFAOYSA-N 1 3 232.331 0.551 20 30 BCEDHO CCN1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303696812 644839423 /nfs/dbraw/zinc/83/94/23/644839423.db2.gz FHUHUKPALRQZFN-GHMZBOCLSA-N 1 3 242.367 0.410 20 30 BCEDHO C[NH+](C)CCC1CCN(C[C@H](O)CC#N)CC1 ZINC000929327858 646082918 /nfs/dbraw/zinc/08/29/18/646082918.db2.gz NQIKEHATSSUQCZ-CYBMUJFWSA-N 1 3 239.363 0.925 20 30 BCEDHO CCN1CC[C@@H]([N@H+](C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998482 646389699 /nfs/dbraw/zinc/38/96/99/646389699.db2.gz FHYDAPXOSGTRLM-YNEHKIRRSA-N 1 3 239.363 0.923 20 30 BCEDHO CCN1CC[C@@H]([N@@H+](C)C[C@H](O)CC#N)[C@@H](C)C1 ZINC000929998482 646389702 /nfs/dbraw/zinc/38/97/02/646389702.db2.gz FHYDAPXOSGTRLM-YNEHKIRRSA-N 1 3 239.363 0.923 20 30 BCEDHO C=CC[C@H](C)N1CCC([NH2+]CCO)CC1 ZINC000715003925 712504219 /nfs/dbraw/zinc/50/42/19/712504219.db2.gz XYXSUNXCNZNLKD-NSHDSACASA-N 1 3 212.337 0.997 20 30 BCEDHO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)NC[C@H]1C ZINC000876796310 712629691 /nfs/dbraw/zinc/62/96/91/712629691.db2.gz KFLLCEWLXIHVSO-AEJSXWLSSA-N 1 3 245.754 0.665 20 30 BCEDHO C=CC[C@@H](C)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000714996638 712503663 /nfs/dbraw/zinc/50/36/63/712503663.db2.gz SKBGLRUBSFSQRK-OLZOCXBDSA-N 1 3 223.364 0.931 20 30 BCEDHO